A0A087Y504_POEFO Loading...

Si:dkey-29p10.4

AlphaFold DB , UniProt , Accession A0A087Y504, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 735 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.6	Very low	48.4	Very low	251 Å²	251	107.3 Å²	107.3	100%	1.236	65%	0.654	S	S	*	*				0	142.3	0	-71.7	179.3	-86.1	0	0	108
2	G	36.6	Very low	50.7	Low	81 Å²	81	106.6 Å²	106.6	84%	0.835	64%	0.643	S	S	*	*			trans	-104.6	145.4	-178.1	0	0	0	0	0	112.2
3	A	31.1	Very low	53	Low	97 Å²	97	103.5 Å²	103.5	80%	0.802	62%	0.62	S	S	*	*			trans	-153.7	60.6	172	0	0	0	0	0	110.3	L5	A3-L5 PolarHBondContact O-N 2.99Å
4	A	32.9	Very low	55.3	Low	101 Å²	101	100.1 Å²	100.1	84%	0.835	60%	0.603	S	S	*	*			trans	-73.3	110.8	164.7	0	0	0	0	0	107.9	D6	A4-D6 PolarHBondContact O-N 3.47Å
5	L	35.6	Very low	56.7	Low	163 Å²	163	99.9 Å²	99.9	85%	0.853	60%	0.597	S	S	*	*			trans	-69.3	95.3	174.3	-72.2	164.4	0	0	0	108.6	A3 T7	A3-L5 PolarHBondContact O-N 2.99Å; L5-T7 PolarHBondContact O-N 2.85Å
6	D	42.2	Very low	58.3	Low	114 Å²	114	98.7 Å²	98.7	61%	0.61	59%	0.59	S	S	*	*			trans	-71.3	89.9	-178.9	-162.7	28.7	0	0	0	109.8	A4 R29	A4-D6 PolarHBondContact O-N 3.47Å; D6-R29 IonicContact OD1-CZ 2.67Å; D6-R29 VanDerWaalsContact OD1-CZ 3.28Å; D6-R29 IonicContact OD1-NH1 4Å; D6-R29 PolarHBondContact OD1-NH1 3.32Å; D6-R29 IonicContact OD1-NH2 3.06Å; D6-R29 PolarHBondContact OD1-NH2 3.41Å; D6-R29 IonicContact OD2-NH2 3.68Å; D6-R29 PolarHBondContact OD2-NH2 2.81Å
7	T	46.2	Very low	59.7	Low	107 Å²	107	99.7 Å²	99.7	66%	0.656	59%	0.589	S	S	*	*			trans	-63.2	130.1	176.2	42.5	0	0	0	0	109.8	L5 A9	L5-T7 PolarHBondContact O-N 2.85Å; T7-A9 PolarHBondContact O-N 2.82Å
8	P	48.4	Very low	60.7	Low	90 Å²	90	95.4 Å²	95.4	58%	0.584	56%	0.564	S	S	*	*			trans	-71.7	99.4	-171.3	27.5	-34.7	0	0	0	111.2	M17	P8-M17 HydrophobicContact CB-CE 3.76Å; P8-M17 HydrophobicContact CB-CG 4.45Å; P8-M17 HydrophobicContact CB-SD 3.87Å; P8-M17 HydrophobicContact CG-CE 3.95Å
9	A	66.1	Low	61.3	Low	26 Å²	26	98 Å²	98	22%	0.215	57%	0.57	C	S	.	*			trans	-64.6	133.8	176	0	0	0	0	0	111.3	T7 M17 T18 R29	T7-A9 PolarHBondContact O-N 2.82Å; A9-M17 CarbonylContact O-C 3.52Å; A9-M17 WeakPolarHBondContact O-CA 3.2Å; A9-T18 HydrophobicContact CB-CG2 4.02Å; A9-T18 WeakPolarHBondContact O-CG2 3.34Å; A9-T18 PolarHBondContact O-N 3.46Å; A9-T18 PolarHBondContact O-OG1 3.41Å; A9-R29 HydrophobicContact CB-CB 4.15Å
10	R	78.1	Confident	62	Low	150 Å²	150	99.1 Å²	99.1	57%	0.566	57%	0.573	S	S	*	*	B	Isolated β-bridge	trans	-84.6	136.1	164.6	-66.1	169.4	79.4	130.2	-5.7	108.6	L12 D15	R10-L12 PolarHBondContact O-N 3.07Å; R10-D15 IonicContact CZ-OD1 3.71Å; R10-D15 VanDerWaalsContact CZ-OD1 3.26Å; R10-D15 IonicContact CZ-OD2 3.25Å; R10-D15 IonicContact NE-OD1 2.93Å; R10-D15 PolarHBondContact NE-OD1 2.9Å; R10-D15 IonicContact NH2-OD1 2.98Å; R10-D15 PolarHBondContact NH2-OD1 2.89Å; R10-D15 IonicContact NH2-OD2 3.95Å; R10-D15 PolarHBondContact NH2-OD2 3.47Å
11	C	82.1	Confident	63	Low	0 Å²	0	97.3 Å²	97.3	0%	0	57%	0.565	C	S	.	*			trans	-78.9	112.9	175.4	177	0	0	0	0	109.8	L13 C14 D15 V16 T18 C31	C11-L13 PolarHBondContact O-N 2.99Å; C11-C14 PolarHBondContact O-N 3.18Å; C11-D15 WeakPolarHBondContact O-CA 3.3Å; C11-D15 PolarHBondContact O-N 3.36Å; C11-V16 PolarHBondContact N-O 3.4Å; C11-T18 HydrophobicContact CB-CG2 3.88Å; C11-C31 HydrophobicContact CB-CB 4.32Å; C11-C31 WeakPolarHBondContact CB-SG 3.44Å; C11-C31 PolarHBondContact SG-N 3.37Å
12	L	75.6	Confident	65.2	Low	99 Å²	99	86.3 Å²	86.3	52%	0.518	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-15	-177.8	-58.1	165.6	0	0	0	114.6	R10 F30 E51	R10-L12 PolarHBondContact O-N 3.07Å; L12-F30 HydrophobicContact CB-CE1 4.09Å; L12-F30 HydrophobicContact CD1-CE1 4.1Å; L12-F30 HydrophobicContact CD1-CZ 4.41Å; L12-E51 HydrophobicContact CD1-CB 4.23Å; L12-E51 VanDerWaalsContact CD1-OE2 3.25Å; L12-E51 WeakPolarHBondContact CD1-OE2 3.35Å
13	L	80.9	Confident	67.4	Low	67 Å²	67	86.1 Å²	86.1	35%	0.351	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-12.5	177.8	-66.6	173.1	0	0	0	114.5	C11 F30 C34 I35 L38 P50	C11-L13 PolarHBondContact O-N 2.99Å; L13-F30 HydrophobicContact CD1-CD1 3.94Å; L13-F30 HydrophobicContact CG-CD1 3.98Å; L13-F30 HydrophobicContact CG-CE1 4.36Å; L13-C34 HydrophobicContact CB-CB 3.67Å; L13-C34 HydrophobicContact CD1-CB 3.74Å; L13-C34 HydrophobicContact CG-CB 4.38Å; L13-I35 HydrophobicContact CD1-CD1 4.32Å; L13-L38 HydrophobicContact CD1-CD2 4.35Å; L13-L38 HydrophobicContact CD2-CD2 4.29Å; L13-P50 HydrophobicContact CD1-CG 4.18Å; L13-P50 HydrophobicContact CD2-CB 3.89Å; L13-P50 HydrophobicContact CD2-CG 4.27Å; L13-P50 HydrophobicContact CG-CB 4.34Å; L13-P50 HydrophobicContact CG-CG 4.46Å
14	C	84.6	Confident	69.8	Low	56 Å²	56	81.7 Å²	81.7	38%	0.378	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.5	-1.3	178.4	66.5	0	0	0	0	115.2	C11 V16	C11-C14 PolarHBondContact O-N 3.18Å; C14-V16 PolarHBondContact O-N 3.13Å
15	D	76.5	Confident	71.9	Confident	96 Å²	96	85.4 Å²	85.4	51%	0.513	46%	0.455	S	S	.	.	S	Bend	trans	54.9	13.7	-178.9	-160.5	31.3	0	0	0	116.9	R10 C11	R10-D15 IonicContact CZ-OD1 3.71Å; R10-D15 VanDerWaalsContact CZ-OD1 3.26Å; R10-D15 IonicContact CZ-OD2 3.25Å; R10-D15 IonicContact NE-OD1 2.93Å; R10-D15 PolarHBondContact NE-OD1 2.9Å; R10-D15 IonicContact NH2-OD1 2.98Å; R10-D15 PolarHBondContact NH2-OD1 2.89Å; R10-D15 IonicContact NH2-OD2 3.95Å; R10-D15 PolarHBondContact NH2-OD2 3.47Å; C11-D15 WeakPolarHBondContact O-CA 3.3Å; C11-D15 PolarHBondContact O-N 3.36Å
16	V	82.5	Confident	74.2	Confident	81 Å²	81	78.7 Å²	78.7	49%	0.491	42%	0.422	S	S	.	.	S	Bend	trans	-94.7	154.3	170.6	-177.4	0	0	0	0	109.7	C11 C14 T18	C11-V16 PolarHBondContact N-O 3.4Å; C14-V16 PolarHBondContact O-N 3.13Å; V16-T18 PolarHBondContact O-N 2.93Å
17	M	82.1	Confident	76	Confident	116 Å²	116	79.6 Å²	79.6	57%	0.571	43%	0.426	S	S	*	.	B	Isolated β-bridge	trans	-51.6	139.5	170	-72.2	-172.3	175	0	0	111.5	P8 A9 Q19	P8-M17 HydrophobicContact CB-CE 3.76Å; P8-M17 HydrophobicContact CB-CG 4.45Å; P8-M17 HydrophobicContact CB-SD 3.87Å; P8-M17 HydrophobicContact CG-CE 3.95Å; A9-M17 CarbonylContact O-C 3.52Å; A9-M17 WeakPolarHBondContact O-CA 3.2Å; M17-Q19 PolarHBondContact O-N 2.81Å
18	T	76.7	Confident	77.8	Confident	23 Å²	23	77.2 Å²	77.2	14%	0.141	41%	0.408	C	S	.	.			trans	-65.3	97.6	-169.5	51.9	0	0	0	0	113.1	A9 C11 V16 R29	A9-T18 HydrophobicContact CB-CG2 4.02Å; A9-T18 WeakPolarHBondContact O-CG2 3.34Å; A9-T18 PolarHBondContact O-N 3.46Å; A9-T18 PolarHBondContact O-OG1 3.41Å; C11-T18 HydrophobicContact CB-CG2 3.88Å; V16-T18 PolarHBondContact O-N 2.93Å; T18-R29 HydrophobicContact CG2-CB 4.4Å
19	Q	73.5	Confident	79.6	Confident	144 Å²	144	76 Å²	76	67%	0.673	39%	0.392	S	S	*	.	S	Bend	trans	-77.3	123.6	168.5	-65.7	-177.3	-1.6	0	0	109.7	M17 C31	M17-Q19 PolarHBondContact O-N 2.81Å; Q19-C31 PolarHBondContact N-SG 2.91Å; Q19-C31 VanDerWaalsContact N-SG 3.43Å
20	N	75.1	Confident	80.6	Confident	119 Å²	119	74.8 Å²	74.8	64%	0.636	38%	0.381	S	S	*	.	S	Bend	trans	50.3	71.5	-170.6	-64.2	-67.3	0	0	0	111.7	V22 R32	N20-V22 PolarHBondContact O-N 3.28Å; N20-R32 HydrophobicContact CB-CB 4.11Å; N20-R32 VanDerWaalsContact O-CB 3.27Å; N20-R32 WeakPolarHBondContact O-CB 3.33Å; N20-R32 PolarHBondContact O-N 3.21Å
21	P	81.8	Confident	81	Confident	62 Å²	62	68.1 Å²	68.1	40%	0.403	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	131.8	-176.4	25.6	-32.8	0	0	0	112.1	F30	P21-F30 CarbonylContact C-O 3.56Å; P21-F30 WeakPolarHBondContact CA-O 3.44Å
22	V	79.7	Confident	81	Confident	20 Å²	20	73.3 Å²	73.3	12%	0.121	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	115.7	163.1	172.8	0	0	0	0	107.5	N20 L24 R29 F30 R32 I35 F63	N20-V22 PolarHBondContact O-N 3.28Å; V22-L24 HydrophobicContact CG1-CD2 4.18Å; V22-R29 WeakPolarHBondContact O-CA 3.34Å; V22-F30 PolarHBondContact N-O 2.82Å; V22-F30 PolarHBondContact O-N 2.89Å; V22-R32 HydrophobicContact CG2-CB 3.73Å; V22-R32 HydrophobicContact CG2-CG 3.99Å; V22-I35 HydrophobicContact CB-CG2 4.26Å; V22-I35 HydrophobicContact CG1-CG2 4.43Å; V22-I35 HydrophobicContact CG2-CG2 4.42Å; V22-F63 HydrophobicContact CG1-CD1 3.6Å; V22-F63 HydrophobicContact CG1-CE1 3.91Å
23	T	83.6	Confident	81.2	Confident	78 Å²	78	77.4 Å²	77.4	48%	0.479	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	119.2	172.5	-47.5	0	0	0	0	108.7	R29	T23-R29 HydrophobicContact CG2-CG 4.07Å
24	L	82.1	Confident	81.4	Confident	4 Å²	4	75.7 Å²	75.7	2%	0.021	38%	0.379	C	S	.	.			trans	-76.6	165.3	172.6	-59	-173.2	0	0	0	110.6	V22 C26 N27 H28 F30 W39 Y58 P62 F63	V22-L24 HydrophobicContact CG1-CD2 4.18Å; L24-C26 PolarHBondContact O-N 3.41Å; L24-C26 VanDerWaalsContact O-N 3.09Å; L24-N27 WeakPolarHBondContact O-CA 3.48Å; L24-N27 PolarHBondContact O-N 3.15Å; L24-H28 PolarHBondContact N-O 3.04Å; L24-F30 HydrophobicContact CD1-CD2 4.12Å; L24-F30 HydrophobicContact CD1-CE2 3.73Å; L24-F30 HydrophobicContact CG-CD2 4.18Å; L24-F30 HydrophobicContact CG-CE2 4.15Å; L24-W39 HydrophobicContact CD1-CH2 3.94Å; L24-W39 HydrophobicContact CD1-CZ2 4.23Å; L24-W39 HydrophobicContact CD2-CH2 3.73Å; L24-W39 HydrophobicContact CD2-CZ3 4.22Å; L24-Y58 HydrophobicContact CD1-CE2 4.28Å; L24-P62 HydrophobicContact CD2-CG 3.92Å; L24-F63 HydrophobicContact CD2-CE1 4.38Å
25	K	77.2	Confident	81.3	Confident	178 Å²	178	73 Å²	73	77%	0.774	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.5	178.1	-61.5	-172.3	176.8	-177.6	0	113.7	N27 Y58	K25-N27 PolarHBondContact O-N 3.07Å; K25-Y58 HydrophobicContact CB-CE1 3.98Å; K25-Y58 HydrophobicContact CD-CE1 4.36Å; K25-Y58 HydrophobicContact CG-CE1 4.14Å; K25-Y58 PolarHBondContact N-OH 2.92Å
26	C	83.3	Confident	81.5	Confident	23 Å²	23	68.6 Å²	68.6	16%	0.155	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	16.6	168.9	56	0	0	0	0	113.8	L24 H28 C49 C54 V56 Y58	L24-C26 PolarHBondContact O-N 3.41Å; L24-C26 VanDerWaalsContact O-N 3.09Å; C26-H28 PolarHBondContact O-CE1 2.94Å; C26-H28 PolarHBondContact O-N 3.41Å; C26-H28 PolarHBondContact O-ND1 3.46Å; C26-H28 PolarHBondContact SG-ND1 3.44Å; C26-C49 PolarHBondContact SG-SG 2.9Å; C26-C54 VanDerWaalsContact CB-SG 3.56Å; C26-C54 VanDerWaalsContact SG-SG 3.63Å; C26-V56 HydrophobicContact CB-CB 4.21Å; C26-V56 HydrophobicContact CB-CG1 4.43Å; C26-V56 HydrophobicContact CB-CG2 4Å; C26-Y58 PolarHBondContact N-OH 3.48Å; C26-Y58 PolarHBondContact SG-OH 3.47Å
27	N	79.4	Confident	81.5	Confident	132 Å²	132	68.1 Å²	68.1	71%	0.706	33%	0.333	S	S	*	.			trans	60.9	-4.4	180	-65.4	-28.4	0	0	0	117.7	L24 K25 R29	L24-N27 WeakPolarHBondContact O-CA 3.48Å; L24-N27 PolarHBondContact O-N 3.15Å; K25-N27 PolarHBondContact O-N 3.07Å; N27-R29 PolarHBondContact O-N 3.39Å
28	H	85.4	Confident	81.5	Confident	57 Å²	57	66.5 Å²	66.5	26%	0.264	33%	0.326	S	S	.	.			trans	-64.5	132	171.7	-58.7	98.5	0	0	0	111.4	L24 C26 F30 C54	L24-H28 PolarHBondContact N-O 3.04Å; C26-H28 PolarHBondContact O-CE1 2.94Å; C26-H28 PolarHBondContact O-N 3.41Å; C26-H28 PolarHBondContact O-ND1 3.46Å; C26-H28 PolarHBondContact SG-ND1 3.44Å; H28-F30 HydrophobicContact CB-CD2 4.49Å; H28-F30 HydrophobicContact CB-CE2 3.53Å; H28-F30 HydrophobicContact CB-CZ 3.85Å; H28-C54 VanDerWaalsContact CE1-SG 3.58Å
29	R	84.6	Confident	81.9	Confident	66 Å²	66	66 Å²	66	25%	0.249	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125.7	-176.5	-69.5	169.8	78.6	168	-0.5	110.5	D6 A9 T18 V22 T23 N27	D6-R29 IonicContact OD1-CZ 2.67Å; D6-R29 VanDerWaalsContact OD1-CZ 3.28Å; D6-R29 IonicContact OD1-NH1 4Å; D6-R29 PolarHBondContact OD1-NH1 3.32Å; D6-R29 IonicContact OD1-NH2 3.06Å; D6-R29 PolarHBondContact OD1-NH2 3.41Å; D6-R29 IonicContact OD2-NH2 3.68Å; D6-R29 PolarHBondContact OD2-NH2 2.81Å; A9-R29 HydrophobicContact CB-CB 4.15Å; T18-R29 HydrophobicContact CG2-CB 4.4Å; V22-R29 WeakPolarHBondContact O-CA 3.34Å; T23-R29 HydrophobicContact CG2-CG 4.07Å; N27-R29 PolarHBondContact O-N 3.39Å
30	F	87	Confident	82	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	154.8	178.4	-56.7	-87.4	0	0	0	110.9	L12 L13 P21 V22 L24 H28 R32 I35 P50	L12-F30 HydrophobicContact CB-CE1 4.09Å; L12-F30 HydrophobicContact CD1-CE1 4.1Å; L12-F30 HydrophobicContact CD1-CZ 4.41Å; L13-F30 HydrophobicContact CD1-CD1 3.94Å; L13-F30 HydrophobicContact CG-CD1 3.98Å; L13-F30 HydrophobicContact CG-CE1 4.36Å; P21-F30 CarbonylContact C-O 3.56Å; P21-F30 WeakPolarHBondContact CA-O 3.44Å; V22-F30 PolarHBondContact N-O 2.82Å; V22-F30 PolarHBondContact O-N 2.89Å; L24-F30 HydrophobicContact CD1-CD2 4.12Å; L24-F30 HydrophobicContact CD1-CE2 3.73Å; L24-F30 HydrophobicContact CG-CD2 4.18Å; L24-F30 HydrophobicContact CG-CE2 4.15Å; H28-F30 HydrophobicContact CB-CD2 4.49Å; H28-F30 HydrophobicContact CB-CE2 3.53Å; H28-F30 HydrophobicContact CB-CZ 3.85Å; F30-R32 PolarHBondContact O-N 2.9Å; F30-I35 HydrophobicContact CB-CB 4.14Å; F30-I35 HydrophobicContact CD2-CD1 4.41Å; F30-I35 HydrophobicContact CG-CD1 4.49Å; F30-P50 HydrophobicContact CD1-CG 4.44Å; F30-P50 HydrophobicContact CE1-CB 3.82Å; F30-P50 HydrophobicContact CE1-CG 3.87Å; F30-P50 HydrophobicContact CE2-CG 4.45Å; F30-P50 HydrophobicContact CZ-CB 4.03Å; F30-P50 HydrophobicContact CZ-CG 3.9Å
31	C	87.1	Confident	82	Confident	10 Å²	10	61.1 Å²	61.1	7%	0.068	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	129.3	166.6	-67.5	0	0	0	0	109.8	C11 Q19 R33 C34 I35	C11-C31 HydrophobicContact CB-CB 4.32Å; C11-C31 WeakPolarHBondContact CB-SG 3.44Å; C11-C31 PolarHBondContact SG-N 3.37Å; Q19-C31 PolarHBondContact N-SG 2.91Å; Q19-C31 VanDerWaalsContact N-SG 3.43Å; C31-R33 PolarHBondContact O-N 3.5Å; C31-C34 HydrophobicContact CB-CB 4.24Å; C31-C34 PolarHBondContact O-N 3.49Å; C31-I35 PolarHBondContact O-N 2.91Å
32	R	81.8	Confident	81.3	Confident	108 Å²	108	61.1 Å²	61.1	41%	0.408	31%	0.308	S	S	.	.	H	α-helix	trans	-46.9	-38.9	178.6	-179.8	172.4	168.4	-154.4	-5.4	113.3	N20 V22 F30 G36 F67	N20-R32 HydrophobicContact CB-CB 4.11Å; N20-R32 VanDerWaalsContact O-CB 3.27Å; N20-R32 WeakPolarHBondContact O-CB 3.33Å; N20-R32 PolarHBondContact O-N 3.21Å; V22-R32 HydrophobicContact CG2-CB 3.73Å; V22-R32 HydrophobicContact CG2-CG 3.99Å; F30-R32 PolarHBondContact O-N 2.9Å; R32-G36 PolarHBondContact O-N 3Å; R32-G36 VanDerWaalsContact O-N 3.17Å; R32-F67 HydrophobicContact CG-CD2 4.42Å
33	R	80.6	Confident	80.6	Confident	186 Å²	186	64.1 Å²	64.1	70%	0.702	33%	0.329	S	S	*	.	H	α-helix	trans	-67.8	-50.4	178.1	-172.9	167.4	-170.8	152.7	3	112.6	C31 I35 G36 D37	C31-R33 PolarHBondContact O-N 3.5Å; R33-I35 PolarHBondContact O-N 2.87Å; R33-G36 PolarHBondContact O-N 2.88Å; R33-D37 VanDerWaalsContact CG-OD2 3.29Å; R33-D37 WeakPolarHBondContact CG-OD2 3.49Å; R33-D37 IonicContact NE-OD2 2.71Å; R33-D37 WeakPolarHBondContact O-CB 3.48Å; R33-D37 VanDerWaalsContact O-CG 3.28Å; R33-D37 PolarHBondContact O-N 3.45Å
34	C	84.3	Confident	80	Confident	31 Å²	31	65.5 Å²	65.5	21%	0.209	34%	0.341	C	S	.	.	H	α-helix	trans	-63.8	-39.8	-176.1	-56.9	0	0	0	0	112.8	L13 C31 L38	L13-C34 HydrophobicContact CB-CB 3.67Å; L13-C34 HydrophobicContact CD1-CB 3.74Å; L13-C34 HydrophobicContact CG-CB 4.38Å; C31-C34 HydrophobicContact CB-CB 4.24Å; C31-C34 PolarHBondContact O-N 3.49Å; C34-L38 WeakPolarHBondContact O-CB 3.25Å; C34-L38 PolarHBondContact O-N 3.43Å; C34-L38 VanDerWaalsContact O-N 3.08Å
35	I	83.6	Confident	79.7	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-73.8	-34.4	177.2	-163.9	66.8	0	0	0	112	L13 V22 F30 C31 R33 L38 W39 P50 F63	L13-I35 HydrophobicContact CD1-CD1 4.32Å; V22-I35 HydrophobicContact CB-CG2 4.26Å; V22-I35 HydrophobicContact CG1-CG2 4.43Å; V22-I35 HydrophobicContact CG2-CG2 4.42Å; F30-I35 HydrophobicContact CB-CB 4.14Å; F30-I35 HydrophobicContact CD2-CD1 4.41Å; F30-I35 HydrophobicContact CG-CD1 4.49Å; C31-I35 PolarHBondContact O-N 2.91Å; R33-I35 PolarHBondContact O-N 2.87Å; I35-L38 HydrophobicContact CD1-CD2 4.4Å; I35-W39 HydrophobicContact CD1-CD2 4.14Å; I35-W39 HydrophobicContact CD1-CH2 4.15Å; I35-W39 HydrophobicContact CD1-CZ2 3.7Å; I35-W39 HydrophobicContact CG1-CD2 4.1Å; I35-W39 HydrophobicContact CG1-CE3 4.06Å; I35-W39 HydrophobicContact CG1-CH2 4.11Å; I35-W39 HydrophobicContact CG1-CZ2 4.13Å; I35-W39 HydrophobicContact CG1-CZ3 4.06Å; I35-W39 WeakPolarHBondContact O-CB 3.37Å; I35-W39 PolarHBondContact O-N 3.29Å; I35-W39 VanDerWaalsContact O-N 3.11Å; I35-P50 HydrophobicContact CD1-CG 3.63Å; I35-F63 HydrophobicContact CG1-CE1 4.12Å; I35-F63 HydrophobicContact CG1-CZ 4.3Å; I35-F63 HydrophobicContact CG2-CE1 3.96Å; I35-F63 HydrophobicContact CG2-CZ 4.02Å
36	G	80.4	Confident	79.7	Confident	2 Å²	2	61.2 Å²	61.2	2%	0.021	34%	0.335	C	S	.	.	H	α-helix	trans	-68.1	-42.7	173.7	0	0	0	0	0	113.1	R32 R33 S40	R32-G36 PolarHBondContact O-N 3Å; R32-G36 VanDerWaalsContact O-N 3.17Å; R33-G36 PolarHBondContact O-N 2.88Å; G36-S40 WeakPolarHBondContact O-CB 3.48Å; G36-S40 PolarHBondContact O-N 3.47Å
37	D	81.9	Confident	79.6	Confident	72 Å²	72	60.3 Å²	60.3	39%	0.385	33%	0.329	S	S	.	.	H	α-helix	trans	-63.7	-45.1	175.5	-71.6	-29.8	0	0	0	110.4	R33 W39 S40	R33-D37 VanDerWaalsContact CG-OD2 3.29Å; R33-D37 WeakPolarHBondContact CG-OD2 3.49Å; R33-D37 IonicContact NE-OD2 2.71Å; R33-D37 WeakPolarHBondContact O-CB 3.48Å; R33-D37 VanDerWaalsContact O-CG 3.28Å; R33-D37 PolarHBondContact O-N 3.45Å; D37-W39 PolarHBondContact O-N 3.19Å; D37-S40 WeakPolarHBondContact O-CB 3.22Å; D37-S40 PolarHBondContact O-N 3.37Å; D37-S40 PolarHBondContact O-OG 3.43Å
38	L	83.2	Confident	79.9	Confident	82 Å²	82	59.1 Å²	59.1	43%	0.429	32%	0.319	S	S	.	.	H	α-helix	trans	-59.9	-46.7	176.9	179.5	66.3	0	0	0	112.8	L13 C34 I35 S40 P50	L13-L38 HydrophobicContact CD1-CD2 4.35Å; L13-L38 HydrophobicContact CD2-CD2 4.29Å; C34-L38 WeakPolarHBondContact O-CB 3.25Å; C34-L38 PolarHBondContact O-N 3.43Å; C34-L38 VanDerWaalsContact O-N 3.08Å; I35-L38 HydrophobicContact CD1-CD2 4.4Å; L38-S40 VanDerWaalsContact C-N 3.32Å; L38-P50 HydrophobicContact CD2-CB 4.33Å; L38-P50 HydrophobicContact CD2-CG 3.65Å
39	W	84.4	Confident	80	Confident	12 Å²	12	57 Å²	57	5%	0.045	31%	0.309	C	S	.	.	H	α-helix	trans	-83.4	-6.1	-177.7	-66.8	-12.1	0	0	0	113.7	L24 I35 D37 V41 S42 F47 H48 Y58 L61 P62 F63 I68	L24-W39 HydrophobicContact CD1-CH2 3.94Å; L24-W39 HydrophobicContact CD1-CZ2 4.23Å; L24-W39 HydrophobicContact CD2-CH2 3.73Å; L24-W39 HydrophobicContact CD2-CZ3 4.22Å; I35-W39 HydrophobicContact CD1-CD2 4.14Å; I35-W39 HydrophobicContact CD1-CH2 4.15Å; I35-W39 HydrophobicContact CD1-CZ2 3.7Å; I35-W39 HydrophobicContact CG1-CD2 4.1Å; I35-W39 HydrophobicContact CG1-CE3 4.06Å; I35-W39 HydrophobicContact CG1-CH2 4.11Å; I35-W39 HydrophobicContact CG1-CZ2 4.13Å; I35-W39 HydrophobicContact CG1-CZ3 4.06Å; I35-W39 WeakPolarHBondContact O-CB 3.37Å; I35-W39 PolarHBondContact O-N 3.29Å; I35-W39 VanDerWaalsContact O-N 3.11Å; D37-W39 PolarHBondContact O-N 3.19Å; W39-V41 PolarHBondContact O-N 2.68Å; W39-S42 PolarHBondContact O-N 2.98Å; W39-F47 HydrophobicContact CB-CD1 3.71Å; W39-F47 HydrophobicContact CB-CE1 3.96Å; W39-F47 HydrophobicContact CD2-CB 3.9Å; W39-F47 AromaticContact CD2-CD1 3.8Å; W39-F47 HydrophobicContact CD2-CD1 3.8Å; W39-F47 HydrophobicContact CD2-CG 4.15Å; W39-F47 HydrophobicContact CE3-CB 4.19Å; W39-F47 HydrophobicContact CE3-CD1 4.18Å; W39-F47 HydrophobicContact CE3-CG 4.3Å; W39-F47 HydrophobicContact CG-CB 4.4Å; W39-F47 AromaticContact CG-CD1 3.59Å; W39-F47 HydrophobicContact CG-CD1 3.59Å; W39-F47 HydrophobicContact CG-CE1 4.35Å; W39-F47 HydrophobicContact CG-CG 4.39Å; W39-F47 HydrophobicContact CH2-CB 4.24Å; W39-F47 HydrophobicContact CZ2-CB 3.94Å; W39-F47 HydrophobicContact CZ3-CB 4.36Å; W39-H48 WeakPolarHBondContact CZ2-O 3.37Å; W39-H48 PolarHBondContact NE1-O 2.84Å; W39-Y58 HydrophobicContact CH2-CD2 4.37Å; W39-L61 HydrophobicContact CD2-CD2 4.48Å; W39-L61 HydrophobicContact CE3-CD2 3.62Å; W39-L61 HydrophobicContact CZ3-CD2 4.22Å; W39-P62 HydrophobicContact CH2-CG 4.12Å; W39-P62 HydrophobicContact CZ3-CG 3.89Å; W39-F63 AromaticContact CE3-CE1 3.72Å; W39-F63 HydrophobicContact CE3-CE1 3.72Å; W39-F63 HydrophobicContact CE3-CE2 4.36Å; W39-F63 AromaticContact CE3-CZ 3.42Å; W39-F63 HydrophobicContact CE3-CZ 3.42Å; W39-F63 VanDerWaalsContact CE3-CZ 3.42Å; W39-F63 HydrophobicContact CH2-CE1 4.34Å; W39-F63 HydrophobicContact CZ3-CD1 4.25Å; W39-F63 AromaticContact CZ3-CE1 3.33Å; W39-F63 HydrophobicContact CZ3-CE1 3.33Å; W39-F63 AromaticContact CZ3-CZ 3.59Å; W39-F63 HydrophobicContact CZ3-CZ 3.59Å; W39-I68 HydrophobicContact CB-CD1 4.36Å
40	S	76.1	Confident	79.9	Confident	42 Å²	42	55.8 Å²	55.8	29%	0.294	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.8	173	74.6	0	0	0	0	114.2	G36 D37 L38 S42	G36-S40 WeakPolarHBondContact O-CB 3.48Å; G36-S40 PolarHBondContact O-N 3.47Å; D37-S40 WeakPolarHBondContact O-CB 3.22Å; D37-S40 PolarHBondContact O-N 3.37Å; D37-S40 PolarHBondContact O-OG 3.43Å; L38-S40 VanDerWaalsContact C-N 3.32Å; S40-S42 VanDerWaalsContact C-N 3.31Å; S40-S42 PolarHBondContact O-N 3.05Å
41	V	73.5	Confident	79.6	Confident	118 Å²	118	57.8 Å²	57.8	72%	0.715	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-28	179.4	-171.6	0	0	0	0	111.9	W39	W39-V41 PolarHBondContact O-N 2.68Å
42	S	67.2	Low	78.9	Confident	62 Å²	62	62.5 Å²	62.5	43%	0.434	35%	0.353	S	S	.	.			trans	-134.7	64.6	-173.5	-56.8	0	0	0	0	111.8	W39 S40 S44 G45 F47	W39-S42 PolarHBondContact O-N 2.98Å; S40-S42 VanDerWaalsContact C-N 3.31Å; S40-S42 PolarHBondContact O-N 3.05Å; S42-S44 PolarHBondContact O-N 3.02Å; S42-G45 PolarHBondContact O-N 3.38Å; S42-F47 WeakPolarHBondContact O-CE1 3.38Å; S42-F47 WeakPolarHBondContact O-CZ 3.2Å
43	P	64.9	Low	78.5	Confident	84 Å²	84	68.2 Å²	68.2	55%	0.545	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-7.8	-168.6	27.3	-36.4	0	0	0	115.5
44	S	71.5	Confident	78.4	Confident	106 Å²	106	60.2 Å²	60.2	74%	0.741	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-8.5	173.3	53.2	0	0	0	0	114.6	S42	S42-S44 PolarHBondContact O-N 3.02Å
45	G	76.9	Confident	78.2	Confident	17 Å²	17	68.6 Å²	68.6	18%	0.175	38%	0.38	C	S	.	.	S	Bend	trans	74.7	-175.4	-171.8	0	0	0	0	0	113.7	S42 F47	S42-G45 PolarHBondContact O-N 3.38Å; G45-F47 VanDerWaalsContact CA-CE2 3.46Å; G45-F47 VanDerWaalsContact N-CZ 3.26Å
46	P	75.5	Confident	78.2	Confident	75 Å²	75	71.5 Å²	71.5	49%	0.487	40%	0.397	S	S	.	.	P	Polyproline II helix	cis	-70.3	148.4	-0.9	29.9	-35.6	0	0	0	113.2	V57	P46-V57 HydrophobicContact CB-CG1 3.75Å
47	F	82.9	Confident	78.2	Confident	5 Å²	5	74.8 Å²	74.8	2%	0.022	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.3	-178.7	-53.7	-77.7	0	0	0	110.4	W39 S42 G45 Y58 L61	W39-F47 HydrophobicContact CB-CD1 3.71Å; W39-F47 HydrophobicContact CB-CE1 3.96Å; W39-F47 HydrophobicContact CD2-CB 3.9Å; W39-F47 AromaticContact CD2-CD1 3.8Å; W39-F47 HydrophobicContact CD2-CD1 3.8Å; W39-F47 HydrophobicContact CD2-CG 4.15Å; W39-F47 HydrophobicContact CE3-CB 4.19Å; W39-F47 HydrophobicContact CE3-CD1 4.18Å; W39-F47 HydrophobicContact CE3-CG 4.3Å; W39-F47 HydrophobicContact CG-CB 4.4Å; W39-F47 AromaticContact CG-CD1 3.59Å; W39-F47 HydrophobicContact CG-CD1 3.59Å; W39-F47 HydrophobicContact CG-CE1 4.35Å; W39-F47 HydrophobicContact CG-CG 4.39Å; W39-F47 HydrophobicContact CH2-CB 4.24Å; W39-F47 HydrophobicContact CZ2-CB 3.94Å; W39-F47 HydrophobicContact CZ3-CB 4.36Å; S42-F47 WeakPolarHBondContact O-CE1 3.38Å; S42-F47 WeakPolarHBondContact O-CZ 3.2Å; G45-F47 VanDerWaalsContact CA-CE2 3.46Å; G45-F47 VanDerWaalsContact N-CZ 3.26Å; F47-Y58 WeakPolarHBondContact CD2-O 3.41Å; F47-Y58 PolarHBondContact N-O 3.35Å; F47-Y58 PolarHBondContact O-N 3.3Å; F47-L61 HydrophobicContact CD1-CD2 3.85Å; F47-L61 HydrophobicContact CD2-CD2 3.93Å; F47-L61 HydrophobicContact CD2-CG 4.16Å; F47-L61 HydrophobicContact CE1-CD2 3.63Å; F47-L61 HydrophobicContact CE1-CG 4.23Å; F47-L61 HydrophobicContact CE2-CD2 3.74Å; F47-L61 HydrophobicContact CE2-CG 3.61Å; F47-L61 HydrophobicContact CG-CD2 3.99Å; F47-L61 HydrophobicContact CZ-CD1 4.18Å; F47-L61 HydrophobicContact CZ-CD2 3.57Å; F47-L61 HydrophobicContact CZ-CG 3.65Å
48	H	85.8	Confident	78.1	Confident	107 Å²	107	72.3 Å²	72.3	50%	0.495	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	143.2	-177.2	-65.7	-100.7	0	0	0	111.2	W39 P50	W39-H48 WeakPolarHBondContact CZ2-O 3.37Å; W39-H48 PolarHBondContact NE1-O 2.84Å; H48-P50 WeakPolarHBondContact O-CD 3.27Å
49	C	85.8	Confident	77.8	Confident	11 Å²	11	76.6 Å²	76.6	7%	0.074	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-64.9	128.9	170.4	-173	0	0	0	0	110.4	C26 E51 C54 V56	C26-C49 PolarHBondContact SG-SG 2.9Å; C49-E51 VanDerWaalsContact C-N 3.25Å; C49-E51 PolarHBondContact O-N 3.37Å; C49-C54 HydrophobicContact CB-CB 4.13Å; C49-V56 PolarHBondContact N-O 3.06Å
50	P	83.1	Confident	77.2	Confident	42 Å²	42	81.4 Å²	81.4	27%	0.273	45%	0.451	S	S	.	.	S	Bend	trans	-70.2	-13	-179.8	-20.7	31.5	0	0	0	115.9	L13 F30 I35 L38 H48 S52	L13-P50 HydrophobicContact CD1-CG 4.18Å; L13-P50 HydrophobicContact CD2-CB 3.89Å; L13-P50 HydrophobicContact CD2-CG 4.27Å; L13-P50 HydrophobicContact CG-CB 4.34Å; L13-P50 HydrophobicContact CG-CG 4.46Å; F30-P50 HydrophobicContact CD1-CG 4.44Å; F30-P50 HydrophobicContact CE1-CB 3.82Å; F30-P50 HydrophobicContact CE1-CG 3.87Å; F30-P50 HydrophobicContact CE2-CG 4.45Å; F30-P50 HydrophobicContact CZ-CB 4.03Å; F30-P50 HydrophobicContact CZ-CG 3.9Å; I35-P50 HydrophobicContact CD1-CG 3.63Å; L38-P50 HydrophobicContact CD2-CB 4.33Å; L38-P50 HydrophobicContact CD2-CG 3.65Å; H48-P50 WeakPolarHBondContact O-CD 3.27Å; P50-S52 PolarHBondContact O-N 3Å
51	E	81.8	Confident	77.1	Confident	41 Å²	41	80.7 Å²	80.7	19%	0.192	44%	0.444	C	S	.	.	S	Bend	trans	-71.3	118.8	175.3	171.4	48.2	-112	0	0	110.4	L12 C49 R53 C54	L12-E51 HydrophobicContact CD1-CB 4.23Å; L12-E51 VanDerWaalsContact CD1-OE2 3.25Å; L12-E51 WeakPolarHBondContact CD1-OE2 3.35Å; C49-E51 VanDerWaalsContact C-N 3.25Å; C49-E51 PolarHBondContact O-N 3.37Å; E51-R53 PolarHBondContact O-N 3.19Å; E51-R53 VanDerWaalsContact O-N 3.07Å; E51-R53 PolarHBondContact OE1-N 2.79Å; E51-C54 HydrophobicContact CB-CB 3.85Å; E51-C54 HydrophobicContact CG-CB 3.95Å; E51-C54 WeakPolarHBondContact O-CB 3.47Å; E51-C54 PolarHBondContact O-N 2.89Å
52	S	71.6	Confident	76.8	Confident	109 Å²	109	77.3 Å²	77.3	76%	0.762	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.7	-37.1	179.7	67.4	0	0	0	0	115.4	P50	P50-S52 PolarHBondContact O-N 3Å
53	R	73.6	Confident	76.9	Confident	228 Å²	228	75.8 Å²	75.8	86%	0.86	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-5.6	-178.7	-62.3	-176.4	178.4	-162	-2.9	113.8	E51	E51-R53 PolarHBondContact O-N 3.19Å; E51-R53 VanDerWaalsContact O-N 3.07Å; E51-R53 PolarHBondContact OE1-N 2.79Å
54	C	79.3	Confident	77	Confident	19 Å²	19	76 Å²	76	13%	0.128	41%	0.407	C	S	.	.			trans	-102.6	90.8	-170.3	-179	0	0	0	0	112.8	C26 H28 C49 E51 V56	C26-C54 VanDerWaalsContact CB-SG 3.56Å; C26-C54 VanDerWaalsContact SG-SG 3.63Å; H28-C54 VanDerWaalsContact CE1-SG 3.58Å; C49-C54 HydrophobicContact CB-CB 4.13Å; E51-C54 HydrophobicContact CB-CB 3.85Å; E51-C54 HydrophobicContact CG-CB 3.95Å; E51-C54 WeakPolarHBondContact O-CB 3.47Å; E51-C54 PolarHBondContact O-N 2.89Å; C54-V56 PolarHBondContact O-N 3.03Å
55	K	79.6	Confident	76.6	Confident	206 Å²	206	78.4 Å²	78.4	90%	0.896	40%	0.404	S	S	*	.			trans	-69.6	21.5	179.8	-56.7	-173.6	-179.4	-177.4	0	115.6
56	V	82.1	Confident	75.9	Confident	61 Å²	61	81.4 Å²	81.4	37%	0.37	42%	0.422	S	S	.	.			trans	-86.7	127.5	-177.4	-179.7	0	0	0	0	111	C26 C49 C54 Y58	C26-V56 HydrophobicContact CB-CB 4.21Å; C26-V56 HydrophobicContact CB-CG1 4.43Å; C26-V56 HydrophobicContact CB-CG2 4Å; C49-V56 PolarHBondContact N-O 3.06Å; C54-V56 PolarHBondContact O-N 3.03Å; V56-Y58 HydrophobicContact CG1-CE1 4.28Å; V56-Y58 HydrophobicContact CG1-CE2 3.87Å
57	V	82.3	Confident	75.2	Confident	71 Å²	71	80.9 Å²	80.9	43%	0.43	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.2	-177.8	-171.4	0	0	0	0	109.7	P46	P46-V57 HydrophobicContact CB-CG1 3.75Å
58	Y	79.4	Confident	74.3	Confident	21 Å²	21	82 Å²	82	8%	0.082	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	121.1	179.4	-54.1	-94.3	0	0	0	109.6	L24 K25 C26 W39 F47 V56 T60 P62	L24-Y58 HydrophobicContact CD1-CE2 4.28Å; K25-Y58 HydrophobicContact CB-CE1 3.98Å; K25-Y58 HydrophobicContact CD-CE1 4.36Å; K25-Y58 HydrophobicContact CG-CE1 4.14Å; K25-Y58 PolarHBondContact N-OH 2.92Å; C26-Y58 PolarHBondContact N-OH 3.48Å; C26-Y58 PolarHBondContact SG-OH 3.47Å; W39-Y58 HydrophobicContact CH2-CD2 4.37Å; F47-Y58 WeakPolarHBondContact CD2-O 3.41Å; F47-Y58 PolarHBondContact N-O 3.35Å; F47-Y58 PolarHBondContact O-N 3.3Å; V56-Y58 HydrophobicContact CG1-CE1 4.28Å; V56-Y58 HydrophobicContact CG1-CE2 3.87Å; Y58-T60 WeakPolarHBondContact CB-O 3.38Å; Y58-P62 HydrophobicContact CD1-CB 4.19Å; Y58-P62 HydrophobicContact CD1-CG 4.19Å; Y58-P62 HydrophobicContact CE1-CB 4.33Å; Y58-P62 HydrophobicContact CE1-CG 4.41Å; Y58-P62 HydrophobicContact CG-CG 4.4Å
59	Q	75.8	Confident	72.9	Confident	171 Å²	171	85 Å²	85	80%	0.799	43%	0.425	S	S	*	.	S	Bend	trans	-77.9	-22.9	175.6	-66.3	-171.6	0.3	0	0	112.8
60	T	72.6	Confident	71.1	Confident	113 Å²	113	88.8 Å²	88.8	69%	0.693	45%	0.452	S	S	*	.	S	Bend	trans	-127.2	152.9	173.2	53	0	0	0	0	109.6	Y58	Y58-T60 WeakPolarHBondContact CB-O 3.38Å
61	L	73.9	Confident	68.9	Low	27 Å²	27	93 Å²	93	14%	0.141	48%	0.479	C	S	.	.			trans	-62.9	128.4	-178.5	-71.1	160.5	0	0	0	110.5	W39 F47 F63 K65 I68	W39-L61 HydrophobicContact CD2-CD2 4.48Å; W39-L61 HydrophobicContact CE3-CD2 3.62Å; W39-L61 HydrophobicContact CZ3-CD2 4.22Å; F47-L61 HydrophobicContact CD1-CD2 3.85Å; F47-L61 HydrophobicContact CD2-CD2 3.93Å; F47-L61 HydrophobicContact CD2-CG 4.16Å; F47-L61 HydrophobicContact CE1-CD2 3.63Å; F47-L61 HydrophobicContact CE1-CG 4.23Å; F47-L61 HydrophobicContact CE2-CD2 3.74Å; F47-L61 HydrophobicContact CE2-CG 3.61Å; F47-L61 HydrophobicContact CG-CD2 3.99Å; F47-L61 HydrophobicContact CZ-CD1 4.18Å; F47-L61 HydrophobicContact CZ-CD2 3.57Å; F47-L61 HydrophobicContact CZ-CG 3.65Å; L61-F63 WeakPolarHBondContact CB-O 3.18Å; L61-F63 HydrophobicContact CD2-CE2 4.23Å; L61-F63 HydrophobicContact CD2-CZ 4.45Å; L61-F63 PolarHBondContact O-N 3.13Å; L61-F63 VanDerWaalsContact O-N 3.15Å; L61-K65 HydrophobicContact CD1-CG 3.83Å; L61-I68 HydrophobicContact CD1-CD1 3.55Å; L61-I68 HydrophobicContact CD2-CD1 3.87Å; L61-I68 HydrophobicContact CG-CD1 4.35Å
62	P	66.8	Low	66.7	Low	48 Å²	48	95.9 Å²	95.9	31%	0.312	50%	0.499	S	S	.	.	S	Bend	trans	-75	7.4	175.9	31.6	-35.3	0	0	0	113.5	L24 W39 Y58	L24-P62 HydrophobicContact CD2-CG 3.92Å; W39-P62 HydrophobicContact CH2-CG 4.12Å; W39-P62 HydrophobicContact CZ3-CG 3.89Å; Y58-P62 HydrophobicContact CD1-CB 4.19Å; Y58-P62 HydrophobicContact CD1-CG 4.19Å; Y58-P62 HydrophobicContact CE1-CB 4.33Å; Y58-P62 HydrophobicContact CE1-CG 4.41Å; Y58-P62 HydrophobicContact CG-CG 4.4Å
63	F	69.1	Low	64.9	Low	29 Å²	29	96.1 Å²	96.1	13%	0.127	50%	0.499	C	S	.	.	S	Bend	trans	-148.5	169.7	178.8	52.6	-113	0	0	0	110.8	V22 L24 I35 W39 L61 F67	V22-F63 HydrophobicContact CG1-CD1 3.6Å; V22-F63 HydrophobicContact CG1-CE1 3.91Å; L24-F63 HydrophobicContact CD2-CE1 4.38Å; I35-F63 HydrophobicContact CG1-CE1 4.12Å; I35-F63 HydrophobicContact CG1-CZ 4.3Å; I35-F63 HydrophobicContact CG2-CE1 3.96Å; I35-F63 HydrophobicContact CG2-CZ 4.02Å; W39-F63 AromaticContact CE3-CE1 3.72Å; W39-F63 HydrophobicContact CE3-CE1 3.72Å; W39-F63 HydrophobicContact CE3-CE2 4.36Å; W39-F63 AromaticContact CE3-CZ 3.42Å; W39-F63 HydrophobicContact CE3-CZ 3.42Å; W39-F63 VanDerWaalsContact CE3-CZ 3.42Å; W39-F63 HydrophobicContact CH2-CE1 4.34Å; W39-F63 HydrophobicContact CZ3-CD1 4.25Å; W39-F63 AromaticContact CZ3-CE1 3.33Å; W39-F63 HydrophobicContact CZ3-CE1 3.33Å; W39-F63 AromaticContact CZ3-CZ 3.59Å; W39-F63 HydrophobicContact CZ3-CZ 3.59Å; L61-F63 WeakPolarHBondContact CB-O 3.18Å; L61-F63 HydrophobicContact CD2-CE2 4.23Å; L61-F63 HydrophobicContact CD2-CZ 4.45Å; L61-F63 PolarHBondContact O-N 3.13Å; L61-F63 VanDerWaalsContact O-N 3.15Å; F63-F67 HydrophobicContact CB-CD2 3.95Å; F63-F67 HydrophobicContact CB-CE2 3.99Å; F63-F67 HydrophobicContact CD2-CB 4.11Å; F63-F67 AromaticContact CD2-CD2 3.66Å; F63-F67 HydrophobicContact CD2-CD2 3.66Å; F63-F67 HydrophobicContact CD2-CG 4.32Å; F63-F67 HydrophobicContact CE2-CB 4.17Å; F63-F67 HydrophobicContact CE2-CD2 4.41Å; F63-F67 HydrophobicContact CG-CD2 4.01Å
64	D	68.3	Low	62.8	Low	90 Å²	90	91.2 Å²	91.2	48%	0.481	50%	0.499	S	S	.	.			trans	-60	136.7	-175.9	179.9	11.8	0	0	0	113.1	S66 F67	D64-S66 PolarHBondContact O-N 3.08Å; D64-S66 PolarHBondContact OD1-N 3.3Å; D64-S66 VanDerWaalsContact OD2-CB 3.27Å; D64-S66 WeakPolarHBondContact OD2-CB 3.47Å; D64-S66 PolarHBondContact OD2-OG 2.87Å; D64-F67 HydrophobicContact CB-CD1 4.31Å; D64-F67 HydrophobicContact CB-CE1 3.93Å; D64-F67 HydrophobicContact CB-CE2 4.2Å; D64-F67 HydrophobicContact CB-CZ 3.88Å; D64-F67 WeakPolarHBondContact O-CB 3.27Å; D64-F67 WeakPolarHBondContact O-CG 3.23Å; D64-F67 PolarHBondContact O-N 3.4Å; D64-F67 VanDerWaalsContact O-N 3.08Å
65	K	62.9	Low	60.6	Low	155 Å²	155	101.5 Å²	101.5	67%	0.674	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-58.9	-24.7	174.9	-76.8	-177.4	175	-175.4	0	112.9	L61 F67 I68	L61-K65 HydrophobicContact CD1-CG 3.83Å; K65-F67 PolarHBondContact O-N 3.15Å; K65-I68 PolarHBondContact O-N 3.11Å; K65-I68 VanDerWaalsContact O-N 3.08Å
66	S	61.1	Low	58.3	Low	81 Å²	81	99.6 Å²	99.6	57%	0.566	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-59.7	-13.1	173.7	77	0	0	0	0	114	D64	D64-S66 PolarHBondContact O-N 3.08Å; D64-S66 PolarHBondContact OD1-N 3.3Å; D64-S66 VanDerWaalsContact OD2-CB 3.27Å; D64-S66 WeakPolarHBondContact OD2-CB 3.47Å; D64-S66 PolarHBondContact OD2-OG 2.87Å
67	F	62.6	Low	55.8	Low	63 Å²	63	102.7 Å²	102.7	28%	0.276	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-88.2	-9.3	179.2	-53.4	-9	0	0	0	113	R32 F63 D64 K65	R32-F67 HydrophobicContact CG-CD2 4.42Å; F63-F67 HydrophobicContact CB-CD2 3.95Å; F63-F67 HydrophobicContact CB-CE2 3.99Å; F63-F67 HydrophobicContact CD2-CB 4.11Å; F63-F67 AromaticContact CD2-CD2 3.66Å; F63-F67 HydrophobicContact CD2-CD2 3.66Å; F63-F67 HydrophobicContact CD2-CG 4.32Å; F63-F67 HydrophobicContact CE2-CB 4.17Å; F63-F67 HydrophobicContact CE2-CD2 4.41Å; F63-F67 HydrophobicContact CG-CD2 4.01Å; D64-F67 HydrophobicContact CB-CD1 4.31Å; D64-F67 HydrophobicContact CB-CE1 3.93Å; D64-F67 HydrophobicContact CB-CE2 4.2Å; D64-F67 HydrophobicContact CB-CZ 3.88Å; D64-F67 WeakPolarHBondContact O-CB 3.27Å; D64-F67 WeakPolarHBondContact O-CG 3.23Å; D64-F67 PolarHBondContact O-N 3.4Å; D64-F67 VanDerWaalsContact O-N 3.08Å; K65-F67 PolarHBondContact O-N 3.15Å
68	I	62.4	Low	53.3	Low	28 Å²	28	110.3 Å²	110.3	14%	0.144	57%	0.572	C	S	.	*	S	Bend	trans	-93.3	125.8	171.6	-69.4	-176.5	0	0	0	109.1	W39 L61 K65 S70	W39-I68 HydrophobicContact CB-CD1 4.36Å; L61-I68 HydrophobicContact CD1-CD1 3.55Å; L61-I68 HydrophobicContact CD2-CD1 3.87Å; L61-I68 HydrophobicContact CG-CD1 4.35Å; K65-I68 PolarHBondContact O-N 3.11Å; K65-I68 VanDerWaalsContact O-N 3.08Å; I68-S70 PolarHBondContact O-N 3.18Å
69	R	56.4	Low	50.9	Low	172 Å²	172	115.1 Å²	115.1	65%	0.649	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-72.5	121	175.6	-171.2	178.6	-178.1	-170.1	-0.6	109.8
70	S	47.9	Very low	48.7	Very low	90 Å²	90	118.5 Å²	118.5	63%	0.629	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-66.5	140.5	174	45.3	0	0	0	0	111.6	I68 T72	I68-S70 PolarHBondContact O-N 3.18Å; S70-T72 PolarHBondContact O-N 2.9Å; S70-T72 VanDerWaalsContact O-N 3.16Å
71	P	38.2	Very low	46.6	Very low	129 Å²	129	118 Å²	118	84%	0.838	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-64.4	117.5	-179.6	25.6	-33.4	0	0	0	110.1
72	T	34.2	Very low	44.4	Very low	102 Å²	102	122.8 Å²	122.8	63%	0.626	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-83.9	132.6	-176.9	-44.3	0	0	0	0	110.2	S70	S70-T72 PolarHBondContact O-N 2.9Å; S70-T72 VanDerWaalsContact O-N 3.16Å
73	P	35.5	Very low	42.6	Very low	115 Å²	115	125.4 Å²	125.4	75%	0.747	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-59	143.6	178.8	-26.2	35.1	0	0	0	113.6	R75	P73-R75 PolarHBondContact O-N 3.23Å
74	S	29.5	Very low	40.5	Very low	124 Å²	124	127.7 Å²	127.7	87%	0.867	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-62.9	129.4	176.5	-174.7	0	0	0	0	111.2
75	R	31.6	Very low	38.6	Very low	236 Å²	236	130.1 Å²	130.1	89%	0.891	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-96.8	117.5	-176.7	-160.5	179	-168.5	-163.5	3.4	110.2	P73	P73-R75 PolarHBondContact O-N 3.23Å
76	Q	31.2	Very low	36.9	Very low	165 Å²	165	127.7 Å²	127.7	77%	0.771	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-62.5	147	177.9	-67.9	-178.3	-12.9	0	0	112.4
77	P	29.9	Very low	35.4	Very low	126 Å²	126	129 Å²	129	82%	0.818	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-77.9	142.9	165.8	33	-33.2	0	0	0	111.2
78	R	30.5	Very low	33.8	Very low	232 Å²	232	130.7 Å²	130.7	88%	0.875	74%	0.742	S	S	*	*			trans	-139.2	161.4	166.4	-98.6	-164.3	176.6	-141.9	-1.6	110.3
79	P	29.5	Very low	32.3	Very low	122 Å²	122	138.1 Å²	138.1	79%	0.792	78%	0.776	S	S	*	*			trans	-86.6	176.9	-145.1	33.5	-38.5	0	0	0	116.1
80	R	28.5	Very low	31	Very low	241 Å²	241	134.9 Å²	134.9	91%	0.909	78%	0.78	S	S	*	*			trans	-103.7	126	-174	-175.5	-170.7	-164.3	-167.4	6.4	111.5
81	S	28.7	Very low	30	Very low	104 Å²	104	138.3 Å²	138.3	73%	0.727	79%	0.786	S	S	*	*			trans	-142.3	102.3	167.9	-61.6	0	0	0	0	107
82	T	27.9	Very low	29.6	Very low	126 Å²	126	139.6 Å²	139.6	77%	0.773	78%	0.781	S	S	*	*				86.7	122	82.5	51.9	0	0	0	0	114.2
83	A	27.8	Very low	29.3	Very low	104 Å²	104	138.7 Å²	138.7	86%	0.86	78%	0.779	S	S	*	*			trans	66	149	165.8	0	0	0	0	0	118.2
84	A	26.5	Very low	28.9	Very low	77 Å²	77	139.3 Å²	139.3	64%	0.636	78%	0.781	S	S	*	*			cis	-166.8	156	-23.7	0	0	0	0	0	110
85	T	26.9	Very low	28.7	Very low	141 Å²	141	138.8 Å²	138.8	87%	0.865	78%	0.777	S	S	*	*			trans	60.5	146.2	160.3	38.4	0	0	0	0	118.4
86	S	27.7	Very low	28.5	Very low	104 Å²	104	132.5 Å²	132.5	73%	0.727	78%	0.775	S	S	*	*			cis	-148.4	168.3	5.6	40.5	0	0	0	0	112.4
87	S	29.6	Very low	28.4	Very low	109 Å²	109	130.6 Å²	130.6	76%	0.762	78%	0.78	S	S	*	*			trans	6.2	147.1	152.6	-36.9	0	0	0	0	120.2
88	S	30.3	Very low	28.3	Very low	97 Å²	97	129.8 Å²	129.8	68%	0.678	77%	0.769	S	S	*	*			cis	-155.9	155.3	32.6	-59.4	0	0	0	0	113.4
89	Q	31	Very low	28	Very low	185 Å²	185	124.5 Å²	124.5	86%	0.864	77%	0.768	S	S	*	*			trans	42.2	139	142.1	-63.2	166.6	-8.9	0	0	121
90	S	27.7	Very low	28	Very low	104 Å²	104	129 Å²	129	73%	0.727	77%	0.769	S	S	*	*			cis	-166.1	139.6	-17.2	47.7	0	0	0	0	109.8
91	E	27.5	Very low	28.1	Very low	161 Å²	161	128.9 Å²	128.9	75%	0.752	77%	0.769	S	S	*	*			trans	3.3	148.6	131	-56.9	-163.2	100.9	0	0	118.3
92	Q	30.1	Very low	28.2	Very low	156 Å²	156	129.6 Å²	129.6	73%	0.729	77%	0.771	S	S	*	*			cis	-166.9	-173.5	3.2	-117.3	-167.6	61.8	0	0	105.7
93	S	28.3	Very low	28.3	Very low	84 Å²	84	130.1 Å²	130.1	59%	0.587	77%	0.774	S	S	*	*			cis	-174.9	-179.6	-14.2	53.4	0	0	0	0	105.1
94	T	26.4	Very low	28.3	Very low	127 Å²	127	133.4 Å²	133.4	78%	0.779	78%	0.776	S	S	*	*			cis	-163.9	168.5	-18.1	12.8	0	0	0	0	105.1
95	S	25.9	Very low	28.5	Very low	113 Å²	113	135.8 Å²	135.8	79%	0.79	78%	0.783	S	S	*	*			cis	-163.7	161.2	-3	43.5	0	0	0	0	108.3
96	A	26.2	Very low	28.6	Very low	104 Å²	104	134.6 Å²	134.6	86%	0.86	78%	0.78	S	S	*	*			trans	-142.7	140.7	162.9	0	0	0	0	0	109.3
97	S	29.1	Very low	28.7	Very low	125 Å²	125	141.6 Å²	141.6	87%	0.874	79%	0.791	S	S	*	*			trans	-86.1	137.4	-164.4	36.1	0	0	0	0	114.4
98	D	27.3	Very low	28.6	Very low	109 Å²	109	143.8 Å²	143.8	58%	0.583	79%	0.793	S	S	*	*			trans	-92.9	155.9	170.3	-159.3	-10	0	0	0	110.2	R100	D98-R100 WeakPolarHBondContact OD1-CG 3.46Å; D98-R100 IonicContact OD1-NE 2.71Å; D98-R100 IonicContact OD2-CZ 2.78Å; D98-R100 IonicContact OD2-NE 3.26Å; D98-R100 PolarHBondContact OD2-NE 2.86Å; D98-R100 IonicContact OD2-NH2 3.67Å
99	S	25	Very low	28.7	Very low	121 Å²	121	147.4 Å²	147.4	85%	0.846	80%	0.804	S	S	*	*			trans	-158.4	80.8	176.7	-79.6	0	0	0	0	110.7
100	R	30.4	Very low	28.5	Very low	216 Å²	216	142.1 Å²	142.1	82%	0.815	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-92.1	133.3	-179.7	-60	-176.3	-176.5	-136.4	-5.1	111.7	D98	D98-R100 WeakPolarHBondContact OD1-CG 3.46Å; D98-R100 IonicContact OD1-NE 2.71Å; D98-R100 IonicContact OD2-CZ 2.78Å; D98-R100 IonicContact OD2-NE 3.26Å; D98-R100 PolarHBondContact OD2-NE 2.86Å; D98-R100 IonicContact OD2-NH2 3.67Å
101	R	29.3	Very low	28.7	Very low	240 Å²	240	147.4 Å²	147.4	91%	0.906	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-90.2	144.8	173.7	-156	174.7	-168.9	-168.8	2.7	110.4
102	P	31.8	Very low	28.7	Very low	118 Å²	118	148.9 Å²	148.9	77%	0.766	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-74.3	149.2	-175.6	-17.2	32	0	0	0	114.1
103	T	29.7	Very low	28.7	Very low	137 Å²	137	151.5 Å²	151.5	84%	0.84	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-96.1	131	169.9	49.2	0	0	0	0	111.4
104	L	27.8	Very low	28.5	Very low	173 Å²	173	152.1 Å²	152.1	91%	0.906	83%	0.827	S	S	*	*			trans	-96.1	111.8	-178.5	-78	163.3	0	0	0	112.4
105	T	29.7	Very low	28.5	Very low	128 Å²	128	152.1 Å²	152.1	79%	0.785	83%	0.827	S	S	*	*			trans	-148.3	129.4	160.5	46.7	0	0	0	0	111.8
106	S	30.4	Very low	28.7	Very low	115 Å²	115	153 Å²	153	80%	0.804	83%	0.827	S	S	*	*			trans	48.9	111.3	160.6	63.3	0	0	0	0	120.1
107	R	28.3	Very low	29	Very low	251 Å²	251	153 Å²	153	95%	0.947	82%	0.819	S	S	*	*			trans	-131.2	107.7	138.2	-82.8	-168.8	175.6	-175.1	-0.2	110.2
108	L	28.7	Very low	28.7	Very low	155 Å²	155	154.4 Å²	154.4	81%	0.812	82%	0.815	S	S	*	*			trans	-131.1	175.4	156.6	-85.5	172	0	0	0	106.7
109	L	32.8	Very low	28.5	Very low	173 Å²	173	153.2 Å²	153.2	91%	0.906	82%	0.815	S	S	*	*			trans	70.9	86.1	-167.1	-51.1	175.9	0	0	0	113.3
110	G	25.5	Very low	28.5	Very low	74 Å²	74	155.7 Å²	155.7	76%	0.763	81%	0.813	S	S	*	*			trans	-78.2	160.3	161.1	0	0	0	0	0	112
111	K	33.1	Very low	28.3	Very low	216 Å²	216	152.5 Å²	152.5	94%	0.939	81%	0.808	S	S	*	*			trans	-137.9	123.6	161.1	-71.5	-168.3	175.5	-175.7	0	109.3
112	R	27.5	Very low	28.1	Very low	191 Å²	191	149.6 Å²	149.6	72%	0.721	80%	0.804	S	S	*	*			trans	-85.2	177.7	170.1	-61.7	-176.3	-176.9	177.6	2.6	110.1	E431	R112-E431 IonicContact CZ-OE1 3.93Å; R112-E431 IonicContact NH2-OE1 3.7Å; R112-E431 PolarHBondContact NH2-OE1 3.39Å
113	K	29.8	Very low	27.8	Very low	211 Å²	211	149.5 Å²	149.5	92%	0.917	80%	0.801	S	S	*	*			trans	86.1	136.2	-178.4	-64.4	-169.8	175.8	-173.4	0	115
114	A	24.4	Very low	27.7	Very low	97 Å²	97	146.8 Å²	146.8	80%	0.802	79%	0.793	S	S	*	*			cis	-148.2	164.6	-5.7	0	0	0	0	0	112.6
115	T	26.6	Very low	27.7	Very low	127 Å²	127	146.7 Å²	146.7	78%	0.779	79%	0.785	S	S	*	*			trans	-88.2	-178.7	179.7	30.6	0	0	0	0	113.7
116	T	28.6	Very low	27.6	Very low	131 Å²	131	150.8 Å²	150.8	80%	0.804	79%	0.786	S	S	*	*			trans	94.7	152.4	163.6	73.6	0	0	0	0	116.5
117	P	32.9	Very low	27.4	Very low	104 Å²	104	151.4 Å²	151.4	68%	0.675	79%	0.785	S	S	*	*				-139.9	-179.6	-50.2	41.8	-26.7	0	0	0	114.4
118	I	23.1	Very low	27.4	Very low	156 Å²	156	143.2 Å²	143.2	80%	0.8	77%	0.771	S	S	*	*			trans	25.7	134.7	132.3	-58.9	166.4	0	0	0	117.4
119	S	24	Very low	27.4	Very low	83 Å²	83	141.9 Å²	141.9	58%	0.58	77%	0.769	S	S	*	*			cis	-156.9	173.2	27.8	25.5	0	0	0	0	114.8
120	E	24.3	Very low	27	Very low	173 Å²	173	141.3 Å²	141.3	81%	0.808	76%	0.762	S	S	*	*			trans	36.3	156.1	132.7	-57.7	152.3	169.1	0	0	121.4
121	E	25.2	Very low	27	Very low	150 Å²	150	141.9 Å²	141.9	70%	0.701	75%	0.754	S	S	*	*			cis	-163.7	165.9	-19.2	-112.9	-154.8	150.8	0	0	107.3
122	H	25.9	Very low	26.7	Very low	179 Å²	179	137.6 Å²	137.6	83%	0.829	75%	0.746	S	S	*	*			trans	171	101.2	131.6	-91.3	-49.2	0	0	0	114.6
123	V	25.4	Very low	26.7	Very low	115 Å²	115	134.7 Å²	134.7	70%	0.697	75%	0.745	S	S	*	*				47.5	135.1	116.9	178.7	0	0	0	0	121.3
124	A	27.8	Very low	26.5	Very low	81 Å²	81	130.2 Å²	130.2	67%	0.669	73%	0.731	S	S	*	*			trans	81.7	145.1	157.4	0	0	0	0	0	118.7
125	K	28	Very low	26.7	Very low	170 Å²	170	135.4 Å²	135.4	74%	0.739	73%	0.73	S	S	*	*			cis	-162.5	150.1	4.6	-123.2	164.7	-171.1	162.5	0	111.8
126	R	27.9	Very low	26.6	Very low	215 Å²	215	134.4 Å²	134.4	81%	0.811	73%	0.728	S	S	*	*			trans	66.8	156.7	154.1	-67.2	173.2	176	173.5	-4.6	116.1
127	T	26	Very low	26.6	Very low	127 Å²	127	139 Å²	139	78%	0.779	73%	0.731	S	S	*	*			cis	-169.2	154.4	-9.6	25.1	0	0	0	0	106.1
128	A	27.2	Very low	26.2	Very low	80 Å²	80	139.7 Å²	139.7	66%	0.661	73%	0.733	S	S	*	*			cis	-169.6	-173.4	-9.1	0	0	0	0	0	108.5
129	V	29	Very low	26.4	Very low	126 Å²	126	136.2 Å²	136.2	76%	0.764	73%	0.728	S	S	*	*			trans	68.7	127.3	157.9	175	0	0	0	0	117
130	E	25	Very low	26.4	Very low	161 Å²	161	141.3 Å²	141.3	75%	0.752	74%	0.742	S	S	*	*			cis	-165.2	164.2	-22	-137.9	164.3	134.3	0	0	111.6
131	S	25.8	Very low	26.5	Very low	87 Å²	87	139.2 Å²	139.2	61%	0.608	74%	0.742	S	S	*	*			trans	16.2	149.4	146.4	62.2	0	0	0	0	122.4
132	T	26.7	Very low	27.3	Very low	125 Å²	125	137 Å²	137	77%	0.767	74%	0.74	S	S	*	*			cis	-172.2	178.4	-6.2	27.7	0	0	0	0	105.9
133	N	27.8	Very low	27.3	Very low	130 Å²	130	134.7 Å²	134.7	70%	0.695	74%	0.739	S	S	*	*			cis	-146.9	147.8	-1.2	-127.2	21.8	0	0	0	106.9
134	D	25.6	Very low	27.3	Very low	117 Å²	117	136.2 Å²	136.2	63%	0.626	75%	0.748	S	S	*	*				72.8	138.3	82.2	-161.8	29.3	0	0	0	117.4
135	R	27.9	Very low	27.2	Very low	206 Å²	206	136.9 Å²	136.9	78%	0.777	75%	0.748	S	S	*	*			trans	52.9	104.2	159.8	-89.8	165.4	171	-171.2	-4.4	122.9
136	S	25.2	Very low	27.1	Very low	107 Å²	107	137.6 Å²	137.6	75%	0.748	75%	0.751	S	S	*	*				68.2	143.9	109.5	-59.5	0	0	0	0	123.4
137	R	27.1	Very low	27.1	Very low	226 Å²	226	131.4 Å²	131.4	85%	0.853	74%	0.741	S	S	*	*			trans	87.5	118.4	143.6	-102.5	-170.6	173.9	-170.6	-3.6	120.4
138	T	25.9	Very low	27.1	Very low	120 Å²	120	132.4 Å²	132.4	74%	0.736	74%	0.742	S	S	*	*			trans	62.8	120.8	136	49.7	0	0	0	0	122.3
139	A	26	Very low	27.3	Very low	82 Å²	82	137.4 Å²	137.4	68%	0.678	75%	0.751	S	S	*	*				88.3	135	126.2	0	0	0	0	0	121.5
140	E	25.6	Very low	28.2	Very low	190 Å²	190	137 Å²	137	89%	0.888	75%	0.751	S	S	*	*			trans	77.8	144.7	144	-73.2	167.5	-169.8	0	0	122.8
141	T	25	Very low	28.2	Very low	130 Å²	130	138.2 Å²	138.2	80%	0.798	76%	0.757	S	S	*	*			trans	-89	-173.5	179.7	46.2	0	0	0	0	112
142	P	43.4	Very low	28.7	Very low	102 Å²	102	141.3 Å²	141.3	66%	0.662	77%	0.767	S	S	*	*			cis	-135.8	-176.1	-15.7	23.6	1.2	0	0	0	115
143	T	24.4	Very low	30	Very low	131 Å²	131	141.1 Å²	141.1	80%	0.804	77%	0.767	S	S	*	*			trans	62.3	133.9	147.3	36.2	0	0	0	0	122.8
144	V	25.5	Very low	30.3	Very low	147 Å²	147	139 Å²	139	89%	0.891	77%	0.768	S	S	*	*				-166.6	172.4	106.4	150.3	0	0	0	0	108.4
145	S	26.1	Very low	30.5	Very low	95 Å²	95	140.1 Å²	140.1	66%	0.664	77%	0.774	S	S	*	*			trans	-116.1	-170.5	-151.7	-160.5	0	0	0	0	116.5
146	F	26.8	Very low	30.7	Very low	185 Å²	185	136.3 Å²	136.3	81%	0.811	77%	0.773	S	S	*	*			trans	80.6	135	175.6	-53.5	-76.3	0	0	0	115
147	S	26.9	Very low	30.9	Very low	85 Å²	85	139 Å²	139	59%	0.594	77%	0.774	S	S	*	*			cis	-163.5	174.9	4.1	-115.3	0	0	0	0	109.4
148	D	26.1	Very low	31.1	Very low	149 Å²	149	133.6 Å²	133.6	80%	0.797	77%	0.767	S	S	*	*			cis	-154.2	177	8.6	-102.6	-29.2	0	0	0	111.2
149	Q	30.4	Very low	31.2	Very low	185 Å²	185	132.5 Å²	132.5	86%	0.864	76%	0.764	S	S	*	*			trans	-134.8	157.2	161.5	-93.7	-163.1	-32.7	0	0	109
150	P	48.7	Very low	31.4	Very low	118 Å²	118	134.1 Å²	134.1	77%	0.766	77%	0.766	S	S	*	*				-155.4	-169.4	92.9	41.3	-18.8	0	0	0	113.5
151	E	25.7	Very low	31.5	Very low	185 Å²	185	133.5 Å²	133.5	86%	0.864	76%	0.763	S	S	*	*			cis	-134.7	162.4	6.7	-76	-178.4	135.9	0	0	112.1
152	D	35	Very low	32.8	Very low	152 Å²	152	131.9 Å²	131.9	81%	0.813	75%	0.754	S	S	*	*			trans	-127.4	159.9	169.3	-137.8	-8.8	0	0	0	107.1
153	P	54.8	Low	32.1	Very low	121 Å²	121	135 Å²	135	79%	0.786	76%	0.763	S	S	*	*				-154.6	178.5	104.8	44	-26.9	0	0	0	113.2
154	A	33.3	Very low	32.4	Very low	86 Å²	86	135.9 Å²	135.9	71%	0.711	76%	0.763	S	S	*	*			cis	-164.6	170.6	12.4	0	0	0	0	0	108.2
155	D	30.2	Very low	33.5	Very low	141 Å²	141	134.5 Å²	134.5	75%	0.754	76%	0.757	S	S	*	*			cis	-169	172.2	-8.2	-136.9	-34.2	0	0	0	110.7
156	V	32.5	Very low	33.8	Very low	125 Å²	125	137.9 Å²	137.9	76%	0.758	76%	0.763	S	S	*	*			trans	63.7	127.8	149.8	165.1	0	0	0	0	118.8
157	E	29.6	Very low	35	Very low	163 Å²	163	134.4 Å²	134.4	76%	0.762	76%	0.759	S	S	*	*			cis	-152.4	-141.9	8	-143.2	-128.3	73.3	0	0	113.9
158	T	30.8	Very low	35.3	Very low	114 Å²	114	136.1 Å²	136.1	70%	0.699	77%	0.766	S	S	*	*			trans	-128.7	-171.6	-162.6	8.8	0	0	0	0	113.2
159	S	27.5	Very low	36.5	Very low	96 Å²	96	134 Å²	134	67%	0.671	76%	0.76	S	S	*	*			cis	-156.2	-172.3	16.2	-146.6	0	0	0	0	116.9
160	T	30.8	Very low	36.6	Very low	117 Å²	117	130.7 Å²	130.7	72%	0.718	76%	0.757	S	S	*	*			trans	-53.8	144.6	176.7	51.4	0	0	0	0	118.3
161	Q	28.8	Very low	35.8	Very low	177 Å²	177	129.5 Å²	129.5	83%	0.827	76%	0.757	S	S	*	*				59.7	156.5	71	-90.2	-154.9	25.4	0	0	116.7
162	P	51	Low	36	Very low	95 Å²	95	126.2 Å²	126.2	62%	0.617	76%	0.755	S	S	*	*			cis	-148.1	-166	-22.3	39.7	-18	0	0	0	116.9
163	I	28.8	Very low	35.7	Very low	167 Å²	167	122.7 Å²	122.7	86%	0.856	75%	0.754	S	S	*	*			trans	92.7	148.4	155	-67.3	165.7	0	0	0	121.5
164	N	31.9	Very low	34.7	Very low	150 Å²	150	124.8 Å²	124.8	80%	0.802	76%	0.759	S	S	*	*			trans	-76	174.9	-175.2	-111.9	5.2	0	0	0	115.2
165	P	47.3	Very low	34.5	Very low	118 Å²	118	123.9 Å²	123.9	77%	0.766	76%	0.758	S	S	*	*			cis	-146.1	-162.8	35.3	43.1	-20.3	0	0	0	118.8
166	E	33.7	Very low	34.7	Very low	167 Å²	167	127.2 Å²	127.2	78%	0.78	77%	0.766	S	S	*	*			trans	-59.4	176.7	179.7	-84.3	-169.6	108.8	0	0	118.6
167	P	50	Low	34.5	Very low	112 Å²	112	126.1 Å²	126.1	73%	0.727	76%	0.764	S	S	*	*			cis	-137.5	-177.5	15	28.2	-1.9	0	0	0	119.9
168	T	34.6	Very low	34.5	Very low	120 Å²	120	126 Å²	126	74%	0.736	77%	0.768	S	S	*	*			trans	-29.7	171.5	167.6	45.5	0	0	0	0	121
169	P	51.3	Low	34.4	Very low	106 Å²	106	126.5 Å²	126.5	69%	0.688	77%	0.77	S	S	*	*			cis	-148.2	175.7	28.2	44.6	-24.5	0	0	0	121.6
170	S	31.7	Very low	34.5	Very low	115 Å²	115	130 Å²	130	80%	0.804	78%	0.776	S	S	*	*			trans	68.9	141.1	153.9	65.9	0	0	0	0	118.6
171	A	32.1	Very low	34.3	Very low	92 Å²	92	132.6 Å²	132.6	76%	0.76	79%	0.786	S	S	*	*			cis	-165.6	175.5	-14.2	0	0	0	0	0	107.4
172	S	30.2	Very low	34.4	Very low	117 Å²	117	129.4 Å²	129.4	82%	0.818	78%	0.783	S	S	*	*			cis	-176.5	148.6	-19.3	42.5	0	0	0	0	108
173	G	28.6	Very low	33.3	Very low	77 Å²	77	130.4 Å²	130.4	79%	0.794	78%	0.783	S	S	*	*			trans	161.6	70.5	174.9	0	0	0	0	0	116
174	D	33.5	Very low	33.4	Very low	165 Å²	165	132.8 Å²	132.8	88%	0.882	78%	0.781	S	S	*	*			trans	-80	169.5	177.3	-72.8	-80.9	0	0	0	113.4
175	G	30.4	Very low	33.2	Very low	68 Å²	68	137 Å²	137	70%	0.701	79%	0.786	S	S	*	*			cis	-166.1	-158.1	13.8	0	0	0	0	0	115.6
176	K	32.9	Very low	33.5	Very low	211 Å²	211	136.5 Å²	136.5	92%	0.917	78%	0.783	S	S	*	*			trans	-114.6	169.9	-157.5	-71.2	175.5	178.5	170	0	115.9
177	S	28.5	Very low	33.3	Very low	102 Å²	102	132.9 Å²	132.9	71%	0.713	78%	0.782	S	S	*	*			trans	-71.4	151.3	165	179.8	0	0	0	0	113.2
178	L	29.5	Very low	32.2	Very low	161 Å²	161	136.7 Å²	136.7	84%	0.843	79%	0.79	S	S	*	*			trans	157	165	131.1	-84.6	170.5	0	0	0	113.2
179	T	29	Very low	32.1	Very low	123 Å²	123	135.7 Å²	135.7	76%	0.755	79%	0.788	S	S	*	*			trans	-79.3	174.7	176.9	51.8	0	0	0	0	111.7
180	E	29	Very low	31.1	Very low	169 Å²	169	136 Å²	136	79%	0.79	78%	0.784	S	S	*	*			cis	-148.4	157.7	17.9	-55.8	164.5	91.4	0	0	111.2
181	N	27.4	Very low	30.9	Very low	172 Å²	172	140.4 Å²	140.4	92%	0.92	78%	0.783	S	S	*	*				-175.2	169	125.1	-109.8	-63.5	0	0	0	114.4
182	S	30.8	Very low	30.7	Very low	111 Å²	111	139.8 Å²	139.8	78%	0.776	77%	0.773	S	S	*	*			trans	-105.7	145.9	-173.1	177.6	0	0	0	0	113.5
183	D	28.2	Very low	30.7	Very low	116 Å²	116	141 Å²	141	62%	0.62	77%	0.766	S	S	*	*			trans	-159.2	150.2	147.5	-143.3	-7.6	0	0	0	115.3
184	R	29.6	Very low	30.7	Very low	216 Å²	216	145.2 Å²	145.2	82%	0.815	76%	0.762	S	S	*	*			trans	67.9	159.1	156.5	-76.8	157.2	-143	-88.6	-14.2	124.5
185	R	29.4	Very low	30.4	Very low	238 Å²	238	142.1 Å²	142.1	90%	0.898	75%	0.753	S	S	*	*			trans	-148.5	176.6	-174.9	-112.3	-171.7	-174.5	-164.1	3.9	106.1
186	P	52.3	Low	30.4	Very low	109 Å²	109	142.6 Å²	142.6	71%	0.708	75%	0.751	S	S	*	*			cis	-136.7	-164.8	-19.1	39.4	-19.8	0	0	0	113.9
187	A	29.7	Very low	30.3	Very low	91 Å²	91	140 Å²	140	75%	0.752	75%	0.747	S	S	*	*			trans	77.2	157.1	155.9	0	0	0	0	0	117.8
188	E	27.1	Very low	30.2	Very low	192 Å²	192	142 Å²	142	90%	0.897	75%	0.749	S	S	*	*			cis	-124.7	-167.9	8.5	-80.9	-171.6	131.6	0	0	114.5
189	S	32.4	Very low	30.4	Very low	98 Å²	98	139 Å²	139	69%	0.685	74%	0.742	S	S	*	*			trans	-92.4	-161.5	-161.5	48.1	0	0	0	0	114.2
190	D	29.8	Very low	30.3	Very low	114 Å²	114	140.5 Å²	140.5	61%	0.61	75%	0.745	S	S	*	*			cis	-173.9	170.6	23.8	-151.3	-9.5	0	0	0	115.7
191	W	27.7	Very low	30.4	Very low	207 Å²	207	136.5 Å²	136.5	78%	0.784	74%	0.736	S	S	*	*			trans	62.5	138.8	169.7	-57.7	92.5	0	0	0	119.2
192	S	27.8	Very low	30.7	Very low	79 Å²	79	132.9 Å²	132.9	55%	0.552	73%	0.725	S	S	*	*			cis	-162.6	158	-14.1	-141.8	0	0	0	0	114.3
193	Q	31.1	Very low	30.7	Very low	143 Å²	143	133.1 Å²	133.1	67%	0.668	73%	0.726	S	S	*	*			trans	22.8	146.9	139.1	-65	-175.2	24.3	0	0	121.3
194	K	27.7	Very low	30.8	Very low	164 Å²	164	136.3 Å²	136.3	71%	0.713	74%	0.737	S	S	*	*			cis	-168	168.2	16.8	-131.4	170.1	-174.2	152.3	0	113.9
195	S	28.6	Very low	30.9	Very low	100 Å²	100	132.3 Å²	132.3	70%	0.699	74%	0.737	S	S	*	*			trans	1.2	156.5	147.9	57.9	0	0	0	0	122.2
196	A	30.6	Very low	30.9	Very low	79 Å²	79	128.6 Å²	128.6	65%	0.653	74%	0.735	S	S	*	*			cis	-178.2	164.4	-13.9	0	0	0	0	0	110.4
197	D	29.5	Very low	29.8	Very low	155 Å²	155	130.1 Å²	130.1	83%	0.829	74%	0.736	S	S	*	*			trans	56.1	165.7	150.1	-57.8	-33	0	0	0	123.6
198	D	28.1	Very low	29.7	Very low	144 Å²	144	131 Å²	131	77%	0.77	74%	0.735	S	S	*	*			trans	76.6	102.1	164.8	-79.9	-49.3	0	0	0	123.9
199	S	33	Very low	29.7	Very low	98 Å²	98	129 Å²	129	69%	0.685	73%	0.731	S	S	*	*				62.2	141	104.3	-53.7	0	0	0	0	124
200	D	26.9	Very low	29.7	Very low	155 Å²	155	128 Å²	128	83%	0.829	73%	0.728	S	S	*	*			trans	64.9	159.4	158.1	-100.8	-21.4	0	0	0	118.8
201	S	31.5	Very low	30.1	Very low	86 Å²	86	128.8 Å²	128.8	60%	0.601	74%	0.74	S	S	*	*			cis	-156.8	157.4	-21.5	-144.1	0	0	0	0	112.2
202	S	33.3	Very low	30.1	Very low	96 Å²	96	126.2 Å²	126.2	67%	0.671	74%	0.74	S	S	*	*			trans	44.2	133.6	141	-55.3	0	0	0	0	123.8
203	S	30.8	Very low	30.2	Very low	115 Å²	115	129.5 Å²	129.5	80%	0.804	75%	0.751	S	S	*	*			trans	70.4	161.6	144.3	67.9	0	0	0	0	117.9
204	E	30.7	Very low	29.9	Very low	184 Å²	184	127.4 Å²	127.4	86%	0.86	76%	0.757	S	S	*	*			cis	-126.4	-177.4	16.5	-71.6	-173.5	103.9	0	0	114.9
205	V	31.8	Very low	30	Very low	132 Å²	132	125.7 Å²	125.7	80%	0.8	76%	0.761	S	S	*	*			trans	-91.9	162.9	174.3	-65.5	0	0	0	0	111.2
206	D	27.9	Very low	30.6	Very low	160 Å²	160	126.4 Å²	126.4	86%	0.856	76%	0.763	S	S	*	*			trans	-153	170.9	144.9	-137.8	-24.8	0	0	0	113.2
207	L	29.2	Very low	30.6	Very low	141 Å²	141	133.9 Å²	133.9	74%	0.738	77%	0.774	S	S	*	*			trans	-140.4	159.8	-158.5	-121	150.7	0	0	0	112.8
208	C	28.8	Very low	30.8	Very low	108 Å²	108	134.4 Å²	134.4	73%	0.73	77%	0.769	S	S	*	*			trans	67.4	166.2	170.9	-49.2	0	0	0	0	115
209	D	27.6	Very low	30.8	Very low	150 Å²	150	133.1 Å²	133.1	80%	0.802	76%	0.762	S	S	*	*			cis	-148	177.1	-12.5	-140.2	-43.7	0	0	0	110.9
210	A	32.4	Very low	30.8	Very low	77 Å²	77	131.8 Å²	131.8	64%	0.636	76%	0.758	S	S	*	*			trans	-85.8	167	169.5	0	0	0	0	0	113.1
211	P	36.5	Very low	30.9	Very low	131 Å²	131	131.4 Å²	131.4	85%	0.851	76%	0.761	S	S	*	*			trans	-134	167.7	138.3	35.6	-24	0	0	0	114.6
212	L	29.2	Very low	30.6	Very low	153 Å²	153	130.8 Å²	130.8	80%	0.801	77%	0.768	S	S	*	*			trans	-116.9	150	-168.4	-77.2	169.4	0	0	0	113.9
213	I	29.6	Very low	30.3	Very low	149 Å²	149	134 Å²	134	76%	0.764	78%	0.776	S	S	*	*			trans	53.6	125	143.3	-59.7	165	0	0	0	119.4
214	A	24.1	Very low	31.1	Very low	98 Å²	98	133.6 Å²	133.6	81%	0.81	77%	0.771	S	S	*	*			trans	-148.4	146.6	147.7	0	0	0	0	0	111.9
215	T	30.8	Very low	30.8	Very low	128 Å²	128	131.5 Å²	131.5	79%	0.785	77%	0.771	S	S	*	*			trans	-144.5	151.8	171.5	60.4	0	0	0	0	111.5
216	P	40.4	Very low	30.6	Very low	115 Å²	115	130.7 Å²	130.7	75%	0.747	77%	0.771	S	S	*	*			trans	-128.6	144.4	134.4	11.2	10.7	0	0	0	110.7
217	R	30.6	Very low	31.3	Very low	237 Å²	237	128.6 Å²	128.6	89%	0.894	77%	0.766	S	S	*	*				60.5	137.5	63.3	-71.2	-174.9	169	-170.8	-2.7	112.8
218	K	33.8	Very low	31.2	Very low	166 Å²	166	131.7 Å²	131.7	72%	0.722	77%	0.774	S	S	*	*			cis	-150.1	-177.2	18.9	-138.8	-167.7	169.6	-145.2	0	108.3
219	D	27.9	Very low	31.1	Very low	116 Å²	116	136.1 Å²	136.1	62%	0.62	78%	0.78	S	S	*	*			cis	-162.5	-177.9	7.6	-154.5	4.5	0	0	0	112.1
220	A	32	Very low	31.7	Very low	71 Å²	71	134.4 Å²	134.4	59%	0.587	78%	0.777	S	S	*	*			trans	43.2	141.9	142.2	0	0	0	0	0	123.4
221	T	29.3	Very low	31.3	Very low	146 Å²	146	135.3 Å²	135.3	90%	0.896	79%	0.785	S	S	*	*			cis	-169.3	146.7	-11.5	24.4	0	0	0	0	109.9
222	G	26.6	Very low	31	Very low	74 Å²	74	134.6 Å²	134.6	76%	0.763	78%	0.783	S	S	*	*			trans	154.4	124	164.6	0	0	0	0	0	116.2
223	I	27.4	Very low	31.5	Very low	163 Å²	163	133.3 Å²	133.3	84%	0.836	78%	0.784	S	S	*	*			trans	-157.1	155.1	-170.4	-64.1	-177.5	0	0	0	108.1
224	P	45.8	Very low	31.3	Very low	107 Å²	107	129.4 Å²	129.4	70%	0.695	78%	0.78	S	S	*	*			cis	-126.3	177.7	-18.6	37.4	-22.3	0	0	0	114
225	T	24.3	Very low	31.5	Very low	139 Å²	139	130.5 Å²	130.5	85%	0.853	78%	0.782	S	S	*	*				-170.9	148.4	119.7	15.8	0	0	0	0	113.2
226	S	28.2	Very low	31.5	Very low	116 Å²	116	129.3 Å²	129.3	81%	0.811	79%	0.785	S	S	*	*			trans	-151.6	170.9	177	-70.3	0	0	0	0	107.7
227	P	43.1	Very low	30.9	Very low	115 Å²	115	133.1 Å²	133.1	75%	0.747	79%	0.793	S	S	*	*			cis	-130.8	176.3	-1.5	41.7	-27.5	0	0	0	114.4
228	K	26	Very low	30.7	Very low	207 Å²	207	126.3 Å²	126.3	90%	0.9	79%	0.788	S	S	*	*			trans	-169.8	136.8	133.9	-106.9	159.8	-173.7	176.8	0	114.1
229	K	28.4	Very low	30.3	Very low	200 Å²	200	124.7 Å²	124.7	87%	0.87	80%	0.796	S	S	*	*			trans	-113.8	174.3	156.5	-126.6	-170.3	174.9	-178.1	0	105.8
230	P	39.5	Very low	30.4	Very low	114 Å²	114	125 Å²	125	74%	0.74	80%	0.804	S	S	*	*			cis	-133.4	170.7	-8	41.2	-26.2	0	0	0	114.8
231	A	23.9	Very low	30.2	Very low	96 Å²	96	131.2 Å²	131.2	79%	0.793	82%	0.821	S	S	*	*			trans	-167.6	151.9	142.7	0	0	0	0	0	113
232	S	30.9	Very low	30	Very low	117 Å²	117	130 Å²	130	82%	0.818	82%	0.818	S	S	*	*			trans	-136.6	176.8	155.3	-53.3	0	0	0	0	104.9
233	P	39.8	Very low	29.8	Very low	126 Å²	126	134.7 Å²	134.7	82%	0.818	83%	0.825	S	S	*	*			cis	-142.7	-169.4	13.2	44.9	-26.2	0	0	0	115.3
234	G	25	Very low	29.8	Very low	66 Å²	66	132.5 Å²	132.5	68%	0.68	82%	0.824	S	S	*	*			trans	81	160.8	156.1	0	0	0	0	0	116.2
235	S	27.1	Very low	29.1	Very low	122 Å²	122	133.6 Å²	133.6	85%	0.853	83%	0.831	S	S	*	*			cis	-154	164.9	-11.4	-79.6	0	0	0	0	108.7
236	A	32.3	Very low	29	Very low	102 Å²	102	130.5 Å²	130.5	84%	0.843	83%	0.827	S	S	*	*			trans	-80.9	146.6	171.3	0	0	0	0	0	111.5
237	E	26.2	Very low	28.8	Very low	195 Å²	195	132.8 Å²	132.8	91%	0.911	83%	0.83	S	S	*	*			trans	-124.1	158.4	164.9	-71.5	-159.4	121.6	0	0	110.7
238	A	27.4	Very low	27.9	Very low	95 Å²	95	136.8 Å²	136.8	79%	0.785	84%	0.836	S	S	*	*			trans	-113.7	167.2	-173.2	0	0	0	0	0	112.1
239	C	24.1	Very low	27.8	Very low	132 Å²	132	132.4 Å²	132.4	89%	0.892	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-63.4	133.6	-179.7	-54.9	0	0	0	0	112.5
240	P	30.9	Very low	27.6	Very low	123 Å²	123	127 Å²	127	80%	0.799	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-92.9	149	174.8	35.3	-33.8	0	0	0	113.5
241	E	29.1	Very low	27.1	Very low	200 Å²	200	127.9 Å²	127.9	94%	0.935	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-78.9	158.2	158	-66	179.5	100.6	0	0	110.8
242	S	24.2	Very low	27.1	Very low	120 Å²	120	129.8 Å²	129.8	84%	0.839	83%	0.831	S	S	*	*			trans	-150.1	150.6	169.8	61.5	0	0	0	0	113.8
243	L	23.1	Very low	26.8	Very low	174 Å²	174	129.7 Å²	129.7	91%	0.911	83%	0.83	S	S	*	*			trans	-101	171.6	-168.2	-73	153.7	0	0	0	113.6
244	S	26.2	Very low	26.1	Very low	116 Å²	116	132.9 Å²	132.9	81%	0.811	83%	0.831	S	S	*	*			trans	-80.5	157	-172.4	-38.9	0	0	0	0	116.4
245	P	30.8	Very low	26	Very low	131 Å²	131	136.1 Å²	136.1	85%	0.851	84%	0.838	S	S	*	*				-140.6	171	129.6	36.8	-23.2	0	0	0	113.5
246	G	22.5	Very low	26	Very low	73 Å²	73	136.3 Å²	136.3	75%	0.753	84%	0.836	S	S	*	*			cis	167.2	57.5	-5.6	0	0	0	0	0	117.3
247	N	24	Very low	25.6	Very low	165 Å²	165	139.3 Å²	139.3	88%	0.882	84%	0.837	S	S	*	*			trans	62.5	134.2	165.1	-86.5	-17.4	0	0	0	121.7
248	K	24.2	Very low	25.4	Very low	199 Å²	199	138.6 Å²	138.6	87%	0.865	84%	0.836	S	S	*	*			trans	-171.5	112.7	131.3	-108.1	166.1	-174.1	176.5	0	115.6
249	S	24.7	Very low	25.3	Very low	114 Å²	114	139.5 Å²	139.5	80%	0.797	84%	0.836	S	S	*	*			trans	46	134	144	52	0	0	0	0	123.5
250	A	24.4	Very low	25.5	Very low	86 Å²	86	140 Å²	140	71%	0.711	84%	0.835	S	S	*	*			trans	-90.2	-176.5	-180	0	0	0	0	0	115.3
251	P	27.9	Very low	25.4	Very low	133 Å²	133	139.7 Å²	139.7	86%	0.864	84%	0.837	S	S	*	*				-126.1	-173.8	114.3	38.5	-33.7	0	0	0	114.4
252	V	24.6	Very low	25.4	Very low	136 Å²	136	134.6 Å²	134.6	82%	0.824	83%	0.828	S	S	*	*			trans	-126.9	139.3	-149.3	175.1	0	0	0	0	115.1
253	S	23.3	Very low	25.7	Very low	116 Å²	116	134.3 Å²	134.3	81%	0.811	83%	0.826	S	S	*	*			trans	-155.4	90.4	158.9	56.4	0	0	0	0	115.7
254	K	25.2	Very low	26	Very low	192 Å²	192	131.8 Å²	131.8	84%	0.835	82%	0.823	S	S	*	*			trans	48.7	98.4	143.4	-57.7	-178.6	-178.1	179.3	0	120.9
255	T	22.9	Very low	26.3	Very low	135 Å²	135	134 Å²	134	83%	0.828	83%	0.826	S	S	*	*				10.2	155.5	128.2	52.1	0	0	0	0	121.8
256	P	27.8	Very low	26.3	Very low	126 Å²	126	139.2 Å²	139.2	82%	0.818	83%	0.829	S	S	*	*			cis	-126.9	165.4	14.7	37.1	-20.5	0	0	0	116.5
257	L	23.3	Very low	27	Very low	164 Å²	164	144.7 Å²	144.7	86%	0.859	84%	0.84	S	S	*	*			trans	-100.8	138.8	175.7	-82.7	141.9	0	0	0	111.9
258	M	23.1	Very low	27.3	Very low	181 Å²	181	139.5 Å²	139.5	89%	0.892	83%	0.826	S	S	*	*			trans	-93.4	114.2	154.1	-81.5	-84.1	104.5	0	0	107.7	T260	M258-T260 PolarHBondContact O-N 2.66Å
259	S	25.2	Very low	27.6	Very low	113 Å²	113	137.2 Å²	137.2	79%	0.79	82%	0.822	S	S	*	*			trans	-92.9	98.8	-177.5	56.1	0	0	0	0	111.8
260	T	28.4	Very low	28	Very low	142 Å²	142	142.3 Å²	142.3	87%	0.871	83%	0.83	S	S	*	*			trans	-84.7	131.8	161.5	46.2	0	0	0	0	109.8	M258	M258-T260 PolarHBondContact O-N 2.66Å
261	S	27.8	Very low	28.4	Very low	118 Å²	118	145 Å²	145	83%	0.825	83%	0.832	S	S	*	*			trans	-144.8	127.4	172.4	60	0	0	0	0	109.5
262	A	29.2	Very low	28.6	Very low	92 Å²	92	149.4 Å²	149.4	76%	0.76	83%	0.831	S	S	*	*			trans	-103.6	154.4	-176.7	0	0	0	0	0	112.3
263	S	31.9	Very low	29.2	Very low	114 Å²	114	148.7 Å²	148.7	80%	0.797	83%	0.829	S	S	*	*			trans	56.4	107.5	154.4	-58.9	0	0	0	0	119.3
264	S	28.5	Very low	29.5	Very low	121 Å²	121	151.8 Å²	151.8	85%	0.846	83%	0.831	S	S	*	*			trans	-152.6	145.1	135.5	-88.9	0	0	0	0	112.6
265	N	33.2	Very low	30	Very low	163 Å²	163	153.9 Å²	153.9	87%	0.872	83%	0.834	S	S	*	*			trans	-47.5	134.1	-171.4	-60.4	-41.7	0	0	0	115.2
266	R	31	Very low	30.6	Very low	241 Å²	241	152.7 Å²	152.7	91%	0.909	83%	0.831	S	S	*	*			trans	-125.1	63.3	159.5	-79	-166.7	176.2	-119.2	3.3	112.2	G268	R266-G268 PolarHBondContact O-N 2.89Å; R266-G268 VanDerWaalsContact O-N 3.16Å
267	L	37.5	Very low	31.2	Very low	187 Å²	187	154.1 Å²	154.1	98%	0.979	83%	0.832	S	S	*	*			trans	-76.7	86.5	149.6	-80.4	171.2	0	0	0	107.4
268	G	29	Very low	32.5	Very low	57 Å²	57	151 Å²	151	59%	0.588	82%	0.824	S	S	*	*			trans	-159.4	109.4	-173	0	0	0	0	0	113.3	R266	R266-G268 PolarHBondContact O-N 2.89Å; R266-G268 VanDerWaalsContact O-N 3.16Å
269	L	31.3	Very low	34.3	Very low	151 Å²	151	145.8 Å²	145.8	79%	0.791	81%	0.805	S	S	*	*			trans	60.6	76.2	160.3	-55	176.5	0	0	0	116.4	L271	L269-L271 HydrophobicContact CB-CG 4.42Å; L269-L271 PolarHBondContact O-N 3.29Å
270	F	31.8	Very low	36.8	Very low	220 Å²	220	144.1 Å²	144.1	97%	0.965	79%	0.791	S	S	*	*			trans	-65.8	77.4	139.3	-80.6	-75.7	0	0	0	108.9	R272	F270-R272 PolarHBondContact O-N 2.97Å
271	L	34.4	Very low	39.5	Very low	142 Å²	142	137.9 Å²	137.9	74%	0.743	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-59.5	121	157.3	-80.4	165.7	0	0	0	106.5	L269 P273	L269-L271 HydrophobicContact CB-CG 4.42Å; L269-L271 PolarHBondContact O-N 3.29Å; L271-P273 WeakPolarHBondContact O-CD 3.5Å
272	R	31.1	Very low	42.4	Very low	227 Å²	227	135.5 Å²	135.5	86%	0.857	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-51.8	130	159.8	-88.3	179.2	166	168.7	-4.3	106.7	F270 E274	F270-R272 PolarHBondContact O-N 2.97Å; R272-E274 PolarHBondContact O-N 2.96Å; R272-E274 VanDerWaalsContact O-N 3.09Å
273	P	36.4	Very low	45.2	Very low	120 Å²	120	131.1 Å²	131.1	78%	0.779	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-53.9	119.3	150	-16.2	30.1	0	0	0	105.6	L271 R275	L271-P273 WeakPolarHBondContact O-CD 3.5Å; P273-R275 PolarHBondContact O-N 3.29Å
274	E	31	Very low	47.9	Very low	181 Å²	181	130.9 Å²	130.9	85%	0.846	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-55.3	138.6	164	-66.7	-135.5	123.8	0	0	106.9	R272 S276	R272-E274 PolarHBondContact O-N 2.96Å; R272-E274 VanDerWaalsContact O-N 3.09Å; E274-S276 VanDerWaalsContact C-N 3.34Å; E274-S276 PolarHBondContact O-N 3.47Å
275	R	36.1	Very low	50.7	Low	236 Å²	236	130.6 Å²	130.6	89%	0.891	67%	0.666	S	S	*	*			trans	-63.6	105.5	170.2	-74.5	-177.4	175.3	-176.9	-2.2	105.9	P273 N277	P273-R275 PolarHBondContact O-N 3.29Å; R275-N277 VanDerWaalsContact C-N 3.3Å; R275-N277 PolarHBondContact O-N 2.68Å
276	S	35.5	Very low	53.3	Low	111 Å²	111	123.5 Å²	123.5	78%	0.776	63%	0.629	S	S	*	*			trans	-60.3	100.2	170.1	40.9	0	0	0	0	107.3	E274 S278	E274-S276 VanDerWaalsContact C-N 3.34Å; E274-S276 PolarHBondContact O-N 3.47Å; S276-S278 PolarHBondContact O-N 3.02Å
277	N	38.8	Very low	55.7	Low	155 Å²	155	116.2 Å²	116.2	83%	0.829	61%	0.613	S	S	*	*			trans	-63.4	88.7	161.6	-77	-20.4	0	0	0	105.3	R275 S279	R275-N277 VanDerWaalsContact C-N 3.3Å; R275-N277 PolarHBondContact O-N 2.68Å; N277-S279 PolarHBondContact O-N 3.15Å
278	S	50.7	Low	57.1	Low	100 Å²	100	116 Å²	116	70%	0.699	60%	0.604	S	S	*	*			trans	-54.5	113.1	-172.4	53.9	0	0	0	0	109.4	S276	S276-S278 PolarHBondContact O-N 3.02Å
279	S	61.3	Low	58.9	Low	70 Å²	70	120.3 Å²	120.3	49%	0.49	62%	0.619	S	S	.	*			trans	-58.3	134.3	176.8	-12	0	0	0	0	108.2	N277 V281 E329	N277-S279 PolarHBondContact O-N 3.15Å; S279-V281 PolarHBondContact O-N 2.94Å; S279-E329 WeakPolarHBondContact CB-OE1 3.33Å; S279-E329 PolarHBondContact OG-OE1 2.82Å
280	P	77.3	Confident	60.6	Low	78 Å²	78	115 Å²	115	51%	0.506	60%	0.601	S	S	.	*			trans	-68.4	104.7	177.8	26.6	-32.7	0	0	0	109.2	Q293	P280-Q293 HydrophobicContact CB-CB 4.47Å; P280-Q293 HydrophobicContact CB-CG 3.84Å
281	V	85.8	Confident	62.5	Low	12 Å²	12	109.6 Å²	109.6	7%	0.073	58%	0.578	C	S	.	*	P	Polyproline II helix	trans	-49.7	124.3	-176.7	-176.8	0	0	0	0	110.4	S279 A294 P327 M328 E329	S279-V281 PolarHBondContact O-N 2.94Å; V281-A294 HydrophobicContact CB-CB 4.39Å; V281-A294 HydrophobicContact CG1-CB 4.33Å; V281-A294 WeakPolarHBondContact O-CB 3.42Å; V281-A294 PolarHBondContact O-N 3.25Å; V281-P327 HydrophobicContact CB-CB 3.78Å; V281-P327 HydrophobicContact CG1-CB 4.4Å; V281-P327 HydrophobicContact CG2-CB 3.74Å; V281-M328 VanDerWaalsContact CG1-O 3.29Å; V281-M328 WeakPolarHBondContact CG1-O 3.41Å; V281-E329 HydrophobicContact CG2-CG 3.79Å
282	P	88.2	Confident	64.8	Low	67 Å²	67	107.1 Å²	107.1	44%	0.435	56%	0.563	S	S	.	*	B	Isolated β-bridge	trans	-75.2	148.8	-178.4	29.6	-34.7	0	0	0	112.2	H284 H291	P282-H284 PolarHBondContact O-N 2.98Å; P282-H284 PolarHBondContact O-ND1 2.93Å; P282-H291 HydrophobicContact CB-CB 4.44Å
283	C	89.3	Confident	67.5	Low	1 Å²	1	102.4 Å²	102.4	1%	0.007	55%	0.551	C	S	.	*	P	Polyproline II helix	trans	-70	126.2	169.5	180	0	0	0	0	111	Y285 C286 Q292 S304 C306 H309	C283-Y285 PolarHBondContact O-N 2.9Å; C283-C286 HydrophobicContact CB-CB 4.29Å; C283-C286 PolarHBondContact O-N 2.9Å; C283-Q292 VanDerWaalsContact CB-O 3.28Å; C283-Q292 WeakPolarHBondContact CB-O 3.34Å; C283-Q292 PolarHBondContact N-O 2.85Å; C283-S304 WeakPolarHBondContact CA-O 3.34Å; C283-C306 HydrophobicContact CB-CB 3.84Å; C283-C306 PolarHBondContact SG-N 3.41Å; C283-C306 VanDerWaalsContact SG-SG 3.68Å; C283-H309 PolarHBondContact SG-ND1 3.25Å; C283-H309 VanDerWaalsContact SG-ND1 3.39Å
284	H	87.8	Confident	70	Confident	108 Å²	108	97.2 Å²	97.2	50%	0.5	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-18.5	-175.8	-68.3	39.6	0	0	0	114	P282 A303 S304	P282-H284 PolarHBondContact O-N 2.98Å; P282-H284 PolarHBondContact O-ND1 2.93Å; H284-A303 HydrophobicContact CB-CB 4.29Å; H284-S304 PolarHBondContact N-O 3.47Å; H284-S304 PolarHBondContact ND1-N 2.96Å
285	Y	86.4	Confident	72.8	Confident	116 Å²	116	92 Å²	92	46%	0.455	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-8.8	-176.4	-56.8	-79.3	0	0	0	113.4	C283 A303 M305 H309	C283-Y285 PolarHBondContact O-N 2.9Å; Y285-A303 HydrophobicContact CE2-CB 3.64Å; Y285-A303 WeakPolarHBondContact OH-CB 3.5Å; Y285-M305 HydrophobicContact CD2-CG 4.05Å; Y285-M305 HydrophobicContact CE2-CE 3.79Å; Y285-M305 HydrophobicContact CE2-CG 3.8Å; Y285-M305 HydrophobicContact CE2-SD 4.49Å; Y285-H309 HydrophobicContact CD2-CB 4.22Å
286	C	88.8	Confident	75.3	Confident	13 Å²	13	84.2 Å²	84.2	9%	0.088	47%	0.471	C	S	.	.	S	Bend	trans	-72.8	143.4	175.1	-74.6	0	0	0	0	111.2	C283	C283-C286 HydrophobicContact CB-CB 4.29Å; C283-C286 PolarHBondContact O-N 2.9Å
287	P	81.3	Confident	77.9	Confident	88 Å²	88	79 Å²	79	57%	0.571	43%	0.434	S	S	*	.			trans	-63.7	147.8	173.9	28.2	-34.8	0	0	0	110.7	T289 G290 H291	P287-T289 PolarHBondContact O-N 3.05Å; P287-G290 CarbonylContact O-C 3.54Å; P287-G290 PolarHBondContact O-N 3.46Å; P287-H291 PolarHBondContact O-N 2.86Å
288	K	66.4	Low	80.2	Confident	184 Å²	184	71.6 Å²	71.6	80%	0.8	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.1	-169.3	-68.4	-175.1	176.9	-177.8	0	115.3	H291	K288-H291 VanDerWaalsContact CA-CE1 3.47Å; K288-H291 WeakPolarHBondContact CA-CE1 3.45Å; K288-H291 PolarHBondContact O-CE1 3.32Å; K288-H291 VanDerWaalsContact O-CE1 3.29Å; K288-H291 PolarHBondContact O-ND1 3.44Å
289	T	67.5	Low	81.7	Confident	147 Å²	147	67.5 Å²	67.5	90%	0.902	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-2.2	176.2	45.9	0	0	0	0	114.1	P287	P287-T289 PolarHBondContact O-N 3.05Å
290	G	66.9	Low	82.7	Confident	39 Å²	39	67 Å²	67	40%	0.402	36%	0.358	S	S	.	.	S	Bend	trans	-153.3	45.5	-174.3	0	0	0	0	0	113.1	P287 Q292	P287-G290 CarbonylContact O-C 3.54Å; P287-G290 PolarHBondContact O-N 3.46Å; G290-Q292 PolarHBondContact O-N 3.3Å; G290-Q292 VanDerWaalsContact O-N 3.1Å
291	H	72.1	Confident	83.1	Confident	106 Å²	106	65.7 Å²	65.7	49%	0.491	35%	0.35	S	S	.	.			trans	-60	111.1	175.6	-64.4	111.2	0	0	0	111.1	P282 P287 K288	P282-H291 HydrophobicContact CB-CB 4.44Å; P287-H291 PolarHBondContact O-N 2.86Å; K288-H291 VanDerWaalsContact CA-CE1 3.47Å; K288-H291 WeakPolarHBondContact CA-CE1 3.45Å; K288-H291 PolarHBondContact O-CE1 3.32Å; K288-H291 VanDerWaalsContact O-CE1 3.29Å; K288-H291 PolarHBondContact O-ND1 3.44Å
292	Q	82.2	Confident	82.9	Confident	91 Å²	91	65.8 Å²	65.8	43%	0.425	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-79.5	152.1	165.3	-63.3	-179.8	3.4	0	0	109.9	C283 G290 C306	C283-Q292 VanDerWaalsContact CB-O 3.28Å; C283-Q292 WeakPolarHBondContact CB-O 3.34Å; C283-Q292 PolarHBondContact N-O 2.85Å; G290-Q292 PolarHBondContact O-N 3.3Å; G290-Q292 VanDerWaalsContact O-N 3.1Å; Q292-C306 HydrophobicContact CB-CB 3.59Å; Q292-C306 PolarHBondContact OE1-SG 3.48Å
293	Q	87.6	Confident	82.8	Confident	128 Å²	128	62.9 Å²	62.9	60%	0.598	34%	0.336	S	S	*	.	B	Isolated β-bridge	trans	-67.8	140.7	173.5	-57.1	-174.4	-3.4	0	0	110.1	P280 C306	P280-Q293 HydrophobicContact CB-CB 4.47Å; P280-Q293 HydrophobicContact CB-CG 3.84Å; Q293-C306 WeakPolarHBondContact O-CA 3.42Å; Q293-C306 VanDerWaalsContact O-CB 3.23Å; Q293-C306 WeakPolarHBondContact O-CB 3.24Å
294	A	89	Confident	82.9	Confident	10 Å²	10	63 Å²	63	8%	0.083	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-74.4	142.5	172.9	0	0	0	0	0	110.9	V281 M305 P327	V281-A294 HydrophobicContact CB-CB 4.39Å; V281-A294 HydrophobicContact CG1-CB 4.33Å; V281-A294 WeakPolarHBondContact O-CB 3.42Å; V281-A294 PolarHBondContact O-N 3.25Å; A294-M305 CarbonylContact C-O 3.51Å; A294-M305 VanDerWaalsContact CA-O 3.31Å; A294-M305 WeakPolarHBondContact CA-O 3.37Å; A294-P327 HydrophobicContact CB-CB 4.28Å; A294-P327 WeakPolarHBondContact O-CG 3.5Å
295	V	89.3	Confident	83	Confident	72 Å²	72	58 Å²	58	44%	0.436	31%	0.313	S	S	.	.	S	Bend	trans	-107	-26.6	178.5	-179.1	0	0	0	0	111.2	M305 T307	V295-M305 PolarHBondContact N-O 2.86Å; V295-T307 HydrophobicContact CG2-CG2 3.95Å
296	K	88.9	Confident	83.2	Confident	73 Å²	73	52.5 Å²	52.5	32%	0.317	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	155.7	170.2	-66.5	-66.4	177	177.8	0	111.2	M305 L310 L324 V325	K296-M305 PolarHBondContact N-O 2.78Å; K296-M305 PolarHBondContact O-N 3.46Å; K296-L310 HydrophobicContact CB-CD1 3.86Å; K296-L310 HydrophobicContact CB-CD2 3.86Å; K296-L310 HydrophobicContact CG-CD1 4.34Å; K296-L310 HydrophobicContact CG-CD2 3.65Å; K296-L324 HydrophobicContact CB-CB 4.28Å; K296-L324 HydrophobicContact CB-CD2 4.22Å; K296-L324 HydrophobicContact CD-CB 4.39Å; K296-L324 HydrophobicContact CG-CB 4.3Å; K296-V325 CarbonylContact C-O 3.57Å; K296-V325 VanDerWaalsContact CA-O 3.25Å; K296-V325 WeakPolarHBondContact CA-O 3.41Å; K296-V325 WeakPolarHBondContact CB-O 3.27Å; K296-V325 WeakPolarHBondContact CD-O 3.39Å
297	T	89.6	Confident	83.3	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.5	164.6	-57.9	0	0	0	0	109.2	S304 V325 P327 M328 I331	T297-S304 WeakPolarHBondContact CG2-OG 3.44Å; T297-S304 PolarHBondContact OG1-OG 2.97Å; T297-V325 PolarHBondContact N-O 2.87Å; T297-V325 PolarHBondContact O-N 2.85Å; T297-P327 WeakPolarHBondContact OG1-CA 3.47Å; T297-M328 HydrophobicContact CG2-CE 4.31Å; T297-M328 PolarHBondContact OG1-N 3.31Å; T297-I331 HydrophobicContact CG2-CD1 3.53Å
298	C	88.2	Confident	83.7	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	116.3	175	-179.8	0	0	0	0	110.4	V300 C301 G302 A303 M305 L324	C298-V300 PolarHBondContact O-N 2.73Å; C298-C301 HydrophobicContact CB-CB 4.01Å; C298-C301 PolarHBondContact SG-N 3.24Å; C298-G302 WeakPolarHBondContact O-CA 3.29Å; C298-G302 PolarHBondContact O-N 2.93Å; C298-A303 PolarHBondContact N-O 2.91Å; C298-M305 HydrophobicContact CB-CE 3.77Å; C298-M305 HydrophobicContact CB-SD 4.46Å; C298-L324 HydrophobicContact CB-CD2 3.85Å
299	L	82.6	Confident	84.7	Confident	14 Å²	14	50 Å²	50	7%	0.073	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-18.9	179.3	-63.4	-176.3	0	0	0	113.5	T323 V325 M328 I331 W334 R335 I342	L299-T323 HydrophobicContact CD1-CG2 4.11Å; L299-T323 PolarHBondContact N-O 2.79Å; L299-V325 HydrophobicContact CD1-CG1 3.82Å; L299-V325 HydrophobicContact CD1-CG2 4.5Å; L299-V325 HydrophobicContact CD2-CG2 3.73Å; L299-V325 HydrophobicContact CG-CG1 4.12Å; L299-V325 HydrophobicContact CG-CG2 3.99Å; L299-M328 HydrophobicContact CD2-CE 3.64Å; L299-I331 HydrophobicContact CD2-CD1 4.06Å; L299-W334 HydrophobicContact CD1-CE3 4.17Å; L299-W334 HydrophobicContact CD1-CZ3 4.44Å; L299-W334 HydrophobicContact CD2-CB 4.36Å; L299-W334 HydrophobicContact CD2-CD2 4.26Å; L299-W334 HydrophobicContact CD2-CE3 4.37Å; L299-W334 HydrophobicContact CD2-CG 4.25Å; L299-R335 PolarHBondContact O-NH2 3.26Å; L299-I342 HydrophobicContact CB-CD1 4.23Å
300	V	82.6	Confident	85.9	Confident	59 Å²	59	43.4 Å²	43.4	36%	0.358	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-46.7	178.2	-174.5	0	0	0	0	111.4	C298 G302 H322 R335 I342	C298-V300 PolarHBondContact O-N 2.73Å; V300-G302 VanDerWaalsContact C-N 3.34Å; V300-G302 PolarHBondContact O-N 3.01Å; V300-H322 HydrophobicContact CB-CB 4.47Å; V300-H322 WeakPolarHBondContact CG1-NE2 3.04Å; V300-H322 HydrophobicContact CG2-CB 4.44Å; V300-R335 VanDerWaalsContact C-NH2 3.3Å; V300-R335 PolarHBondContact O-NH2 3.06Å; V300-I342 HydrophobicContact CG2-CD1 4.48Å
301	C	84.8	Confident	86.9	Confident	51 Å²	51	46.2 Å²	46.2	35%	0.345	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-21.2	174.7	-68.5	0	0	0	0	114	C298 A303 M305 H313 H322	C298-C301 HydrophobicContact CB-CB 4.01Å; C298-C301 PolarHBondContact SG-N 3.24Å; C301-A303 VanDerWaalsContact C-N 3.34Å; C301-M305 HydrophobicContact CB-CE 3.93Å; C301-H313 PolarHBondContact SG-NE2 3.09Å; C301-H322 PolarHBondContact SG-CE1 2.85Å; C301-H322 PolarHBondContact SG-ND1 3.34Å
302	G	81.6	Confident	87.7	Confident	15 Å²	15	44 Å²	44	16%	0.155	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	19.8	-177.7	0	0	0	0	0	113.8	C298 V300	C298-G302 WeakPolarHBondContact O-CA 3.29Å; C298-G302 PolarHBondContact O-N 2.93Å; V300-G302 VanDerWaalsContact C-N 3.34Å; V300-G302 PolarHBondContact O-N 3.01Å
303	A	86.6	Confident	87.9	Confident	6 Å²	6	40.7 Å²	40.7	5%	0.05	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	144.3	-168	0	0	0	0	0	113.2	H284 Y285 C298 C301 M305	H284-A303 HydrophobicContact CB-CB 4.29Å; Y285-A303 HydrophobicContact CE2-CB 3.64Å; Y285-A303 WeakPolarHBondContact OH-CB 3.5Å; C298-A303 PolarHBondContact N-O 2.91Å; C301-A303 VanDerWaalsContact C-N 3.34Å; A303-M305 HydrophobicContact CB-CE 4.21Å
304	S	90.1	Very high	87.9	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	130.9	176.7	-55	0	0	0	0	110.5	C283 H284 T297 M328	C283-S304 WeakPolarHBondContact CA-O 3.34Å; H284-S304 PolarHBondContact N-O 3.47Å; H284-S304 PolarHBondContact ND1-N 2.96Å; T297-S304 WeakPolarHBondContact CG2-OG 3.44Å; T297-S304 PolarHBondContact OG1-OG 2.97Å; S304-M328 PolarHBondContact OG-O 3.49Å
305	M	90.8	Very high	87.9	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	131.9	-164.9	-62.2	166.7	-167.7	0	0	111.8	Y285 A294 V295 K296 C298 C301 A303 H309 L310 H313	Y285-M305 HydrophobicContact CD2-CG 4.05Å; Y285-M305 HydrophobicContact CE2-CE 3.79Å; Y285-M305 HydrophobicContact CE2-CG 3.8Å; Y285-M305 HydrophobicContact CE2-SD 4.49Å; A294-M305 CarbonylContact C-O 3.51Å; A294-M305 VanDerWaalsContact CA-O 3.31Å; A294-M305 WeakPolarHBondContact CA-O 3.37Å; V295-M305 PolarHBondContact N-O 2.86Å; K296-M305 PolarHBondContact N-O 2.78Å; K296-M305 PolarHBondContact O-N 3.46Å; C298-M305 HydrophobicContact CB-CE 3.77Å; C298-M305 HydrophobicContact CB-SD 4.46Å; C301-M305 HydrophobicContact CB-CE 3.93Å; A303-M305 HydrophobicContact CB-CE 4.21Å; M305-H309 HydrophobicContact CB-CB 4.28Å; M305-L310 HydrophobicContact CB-CB 4.03Å; M305-L310 HydrophobicContact CB-CD1 4.32Å; M305-L310 HydrophobicContact SD-CD1 4.2Å; M305-H313 VanDerWaalsContact CE-CE1 3.44Å; M305-H313 WeakPolarHBondContact CE-CE1 3.33Å
306	C	91.2	Very high	87.9	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.007	24%	0.236	C	C	.	.			trans	-72.1	174.9	166.4	64.6	0	0	0	0	111	C283 Q292 Q293 E308 H309 L310	C283-C306 HydrophobicContact CB-CB 3.84Å; C283-C306 PolarHBondContact SG-N 3.41Å; C283-C306 VanDerWaalsContact SG-SG 3.68Å; Q292-C306 HydrophobicContact CB-CB 3.59Å; Q292-C306 PolarHBondContact OE1-SG 3.48Å; Q293-C306 WeakPolarHBondContact O-CA 3.42Å; Q293-C306 VanDerWaalsContact O-CB 3.23Å; Q293-C306 WeakPolarHBondContact O-CB 3.24Å; C306-E308 VanDerWaalsContact C-N 3.29Å; C306-E308 PolarHBondContact O-N 3.08Å; C306-H309 PolarHBondContact O-N 3.2Å; C306-H309 PolarHBondContact SG-ND1 2.84Å; C306-L310 WeakPolarHBondContact O-CB 3.31Å; C306-L310 PolarHBondContact O-N 2.66Å
307	T	90.1	Very high	87.7	Confident	76 Å²	76	45.7 Å²	45.7	47%	0.466	25%	0.25	S	S	.	.	H	α-helix	trans	-50.9	-45.5	-178.3	53.7	0	0	0	0	113.3	V295 L310 R311	V295-T307 HydrophobicContact CG2-CG2 3.95Å; T307-L310 PolarHBondContact O-N 2.55Å; T307-R311 PolarHBondContact O-N 3.03Å
308	E	88.9	Confident	87.5	Confident	85 Å²	85	50.9 Å²	50.9	40%	0.397	28%	0.282	S	S	.	.	H	α-helix	trans	-67	-46.4	-176.8	-58.8	-51.1	106.9	0	0	112.3	C306 L310 R311	C306-E308 VanDerWaalsContact C-N 3.29Å; C306-E308 PolarHBondContact O-N 3.08Å; E308-L310 VanDerWaalsContact C-N 3.31Å; E308-L310 PolarHBondContact O-N 3.2Å; E308-R311 WeakPolarHBondContact O-CB 3.39Å; E308-R311 PolarHBondContact O-N 3.48Å; E308-R311 IonicContact OE1-CZ 2.72Å; E308-R311 IonicContact OE1-NH1 2.67Å; E308-R311 IonicContact OE1-NH2 2.68Å; E308-R311 PolarHBondContact OE1-NH2 2.83Å; E308-R311 IonicContact OE2-CZ 2.88Å; E308-R311 VanDerWaalsContact OE2-CZ 3.25Å; E308-R311 IonicContact OE2-NH1 3.04Å; E308-R311 PolarHBondContact OE2-NH1 3.09Å; E308-R311 IonicContact OE2-NH2 3.9Å; E308-R311 PolarHBondContact OE2-NH2 3.21Å
309	H	89.1	Confident	87.3	Confident	71 Å²	71	53.8 Å²	53.8	33%	0.329	29%	0.294	S	S	.	.	H	α-helix	trans	-77.7	-17.2	178.9	-64.2	121.8	0	0	0	113.2	C283 Y285 M305 C306	C283-H309 PolarHBondContact SG-ND1 3.25Å; C283-H309 VanDerWaalsContact SG-ND1 3.39Å; Y285-H309 HydrophobicContact CD2-CB 4.22Å; M305-H309 HydrophobicContact CB-CB 4.28Å; C306-H309 PolarHBondContact O-N 3.2Å; C306-H309 PolarHBondContact SG-ND1 2.84Å
310	L	91.1	Very high	87.2	Confident	10 Å²	10	60.3 Å²	60.3	5%	0.052	32%	0.324	C	S	.	.	H	α-helix	trans	-80.8	-27.8	172.5	-173.8	64.2	0	0	0	112	K296 M305 C306 T307 E308 P312 H313 L314 L324	K296-L310 HydrophobicContact CB-CD1 3.86Å; K296-L310 HydrophobicContact CB-CD2 3.86Å; K296-L310 HydrophobicContact CG-CD1 4.34Å; K296-L310 HydrophobicContact CG-CD2 3.65Å; M305-L310 HydrophobicContact CB-CB 4.03Å; M305-L310 HydrophobicContact CB-CD1 4.32Å; M305-L310 HydrophobicContact SD-CD1 4.2Å; C306-L310 WeakPolarHBondContact O-CB 3.31Å; C306-L310 PolarHBondContact O-N 2.66Å; T307-L310 PolarHBondContact O-N 2.55Å; E308-L310 VanDerWaalsContact C-N 3.31Å; E308-L310 PolarHBondContact O-N 3.2Å; L310-P312 VanDerWaalsContact C-CD 3.48Å; L310-H313 HydrophobicContact CD1-CB 4.2Å; L310-H313 WeakPolarHBondContact O-CA 3.29Å; L310-H313 WeakPolarHBondContact O-CB 3.37Å; L310-H313 PolarHBondContact O-N 3.45Å; L310-L314 HydrophobicContact CD2-CD1 4.28Å; L310-L314 HydrophobicContact CG-CD1 4.15Å; L310-L314 HydrophobicContact CG-CG 4.25Å; L310-L314 PolarHBondContact O-N 3.49Å; L310-L324 HydrophobicContact CD1-CD1 3.88Å; L310-L324 HydrophobicContact CD1-CD2 3.67Å; L310-L324 HydrophobicContact CD1-CG 4.42Å
311	R	89.1	Confident	87	Confident	98 Å²	98	64.5 Å²	64.5	37%	0.37	35%	0.345	S	S	.	.	H	α-helix	trans	-46.6	-47.4	-177.6	-174.3	-177	-65.2	108.8	5.8	113.9	T307 E308 H313 L314 E315	T307-R311 PolarHBondContact O-N 3.03Å; E308-R311 WeakPolarHBondContact O-CB 3.39Å; E308-R311 PolarHBondContact O-N 3.48Å; E308-R311 IonicContact OE1-CZ 2.72Å; E308-R311 IonicContact OE1-NH1 2.67Å; E308-R311 IonicContact OE1-NH2 2.68Å; E308-R311 PolarHBondContact OE1-NH2 2.83Å; E308-R311 IonicContact OE2-CZ 2.88Å; E308-R311 VanDerWaalsContact OE2-CZ 3.25Å; E308-R311 IonicContact OE2-NH1 3.04Å; E308-R311 PolarHBondContact OE2-NH1 3.09Å; E308-R311 IonicContact OE2-NH2 3.9Å; E308-R311 PolarHBondContact OE2-NH2 3.21Å; R311-H313 VanDerWaalsContact C-N 3.25Å; R311-H313 PolarHBondContact O-N 3.45Å; R311-L314 PolarHBondContact O-N 3.5Å; R311-E315 WeakPolarHBondContact CD-OE1 3.46Å; R311-E315 VanDerWaalsContact CD-OE2 3.31Å; R311-E315 WeakPolarHBondContact CD-OE2 3.49Å; R311-E315 HydrophobicContact CG-CG 4.08Å; R311-E315 WeakPolarHBondContact CG-OE1 3.49Å; R311-E315 WeakPolarHBondContact CG-OE2 3.35Å; R311-E315 IonicContact NE-OE1 2.76Å; R311-E315 PolarHBondContact O-N 2.95Å
312	P	88.7	Confident	87.1	Confident	60 Å²	60	64 Å²	64	39%	0.39	34%	0.337	S	S	.	.	H	α-helix	trans	-58.9	-34.2	177.7	-24.4	35.5	0	0	0	113.6	L310 L314 S316 F319	L310-P312 VanDerWaalsContact C-CD 3.48Å; P312-L314 PolarHBondContact O-N 2.97Å; P312-S316 WeakPolarHBondContact O-CB 3.45Å; P312-S316 PolarHBondContact O-N 2.89Å; P312-F319 HydrophobicContact CB-CD2 4.29Å; P312-F319 HydrophobicContact CB-CE2 4.18Å; P312-F319 WeakPolarHBondContact O-CD2 3.49Å
313	H	86.9	Confident	87.2	Confident	20 Å²	20	66.4 Å²	66.4	9%	0.093	35%	0.349	C	S	.	.	H	α-helix	trans	-72.4	-14.6	178.4	-77.7	68	0	0	0	113.9	C301 M305 L310 R311 F319 H322 L324	C301-H313 PolarHBondContact SG-NE2 3.09Å; M305-H313 VanDerWaalsContact CE-CE1 3.44Å; M305-H313 WeakPolarHBondContact CE-CE1 3.33Å; L310-H313 HydrophobicContact CD1-CB 4.2Å; L310-H313 WeakPolarHBondContact O-CA 3.29Å; L310-H313 WeakPolarHBondContact O-CB 3.37Å; L310-H313 PolarHBondContact O-N 3.45Å; R311-H313 VanDerWaalsContact C-N 3.25Å; R311-H313 PolarHBondContact O-N 3.45Å; H313-F319 HydrophobicContact CB-CB 4.39Å; H313-H322 AromaticContact CD2-CG 3.9Å; H313-H322 AromaticContact CD2-ND1 3.37Å; H313-H322 PolarHBondContact CD2-ND1 3.12Å; H313-H322 AromaticContact NE2-CE1 3.89Å; H313-H322 AromaticContact NE2-CG 3.97Å; H313-H322 AromaticContact NE2-ND1 3Å; H313-H322 PolarHBondContact NE2-ND1 3.33Å; H313-L324 HydrophobicContact CB-CD1 4.36Å; H313-L324 HydrophobicContact CB-CD2 4.47Å
314	L	86.6	Confident	87.3	Confident	119 Å²	119	68.4 Å²	68.4	62%	0.623	36%	0.359	S	S	*	.	H	α-helix	trans	-101	-35.1	177.9	-57.6	176.9	0	0	0	111.7	L310 R311 P312 L324	L310-L314 HydrophobicContact CD2-CD1 4.28Å; L310-L314 HydrophobicContact CG-CD1 4.15Å; L310-L314 HydrophobicContact CG-CG 4.25Å; L310-L314 PolarHBondContact O-N 3.49Å; R311-L314 PolarHBondContact O-N 3.5Å; P312-L314 PolarHBondContact O-N 2.97Å; L314-L324 HydrophobicContact CD2-CD1 3.78Å
315	E	88.6	Confident	87.1	Confident	141 Å²	141	69.9 Å²	69.9	66%	0.659	37%	0.368	S	S	*	.	H	α-helix	trans	-98.9	-27.1	-172.3	-66.6	175.2	-176.7	0	0	114	R311	R311-E315 WeakPolarHBondContact CD-OE1 3.46Å; R311-E315 VanDerWaalsContact CD-OE2 3.31Å; R311-E315 WeakPolarHBondContact CD-OE2 3.49Å; R311-E315 HydrophobicContact CG-CG 4.08Å; R311-E315 WeakPolarHBondContact CG-OE1 3.49Å; R311-E315 WeakPolarHBondContact CG-OE2 3.35Å; R311-E315 IonicContact NE-OE1 2.76Å; R311-E315 PolarHBondContact O-N 2.95Å
316	S	89.8	Confident	87	Confident	36 Å²	36	73.6 Å²	73.6	25%	0.252	39%	0.394	S	S	.	.			trans	-90.1	130.6	-176.7	-173.4	0	0	0	0	112.6	P312 V318 F319	P312-S316 WeakPolarHBondContact O-CB 3.45Å; P312-S316 PolarHBondContact O-N 2.89Å; S316-V318 PolarHBondContact O-N 3.33Å; S316-V318 VanDerWaalsContact O-N 3.16Å; S316-F319 PolarHBondContact O-N 2.83Å; S316-F319 VanDerWaalsContact O-N 3.16Å
317	P	85.1	Confident	86.8	Confident	93 Å²	93	75.9 Å²	75.9	60%	0.604	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-61.2	-25.6	176.1	25.3	-33.9	0	0	0	113.2	F319 Q320	P317-F319 PolarHBondContact O-N 3.24Å; P317-Q320 PolarHBondContact O-N 2.83Å
318	V	85	Confident	86.3	Confident	109 Å²	109	74 Å²	74	66%	0.661	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-59.1	-31.4	178.2	-177.3	0	0	0	0	112.1	S316	S316-V318 PolarHBondContact O-N 3.33Å; S316-V318 VanDerWaalsContact O-N 3.16Å
319	F	84.5	Confident	85.7	Confident	60 Å²	60	76 Å²	76	26%	0.263	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-104.8	5.6	-173.7	-61.3	-53.4	0	0	0	114.1	P312 H313 S316 P317 N321 H322	P312-F319 HydrophobicContact CB-CD2 4.29Å; P312-F319 HydrophobicContact CB-CE2 4.18Å; P312-F319 WeakPolarHBondContact O-CD2 3.49Å; H313-F319 HydrophobicContact CB-CB 4.39Å; S316-F319 PolarHBondContact O-N 2.83Å; S316-F319 VanDerWaalsContact O-N 3.16Å; P317-F319 PolarHBondContact O-N 3.24Å; F319-N321 PolarHBondContact O-N 3.07Å; F319-H322 AromaticContact CD1-CE1 3.42Å; F319-H322 VanDerWaalsContact CD1-CE1 3.42Å; F319-H322 WeakPolarHBondContact CD1-CE1 3.37Å; F319-H322 AromaticContact CD1-ND1 3.63Å; F319-H322 AromaticContact CD1-NE2 3.9Å; F319-H322 AromaticContact CE1-CE1 3.89Å; F319-H322 VanDerWaalsContact O-CB 3.26Å; F319-H322 WeakPolarHBondContact O-CB 3.39Å; F319-H322 PolarHBondContact O-N 3.25Å
320	Q	80.2	Confident	85.2	Confident	151 Å²	151	76 Å²	76	71%	0.706	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-26.3	-178.7	-75.8	174.5	-3	0	0	114.1	P317 H322	P317-Q320 PolarHBondContact O-N 2.83Å; Q320-H322 VanDerWaalsContact C-N 3.34Å
321	N	78.8	Confident	84.5	Confident	148 Å²	148	76.9 Å²	76.9	79%	0.791	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-0.1	177	-67.8	-42	0	0	0	114	F319 T323	F319-N321 PolarHBondContact O-N 3.07Å; N321-T323 PolarHBondContact O-N 2.88Å
322	H	85.9	Confident	83.9	Confident	39 Å²	39	74.8 Å²	74.8	18%	0.181	41%	0.411	C	S	.	.			trans	-82.1	110	-178.3	-77.7	-154.9	0	0	0	111.6	V300 C301 H313 F319 Q320 L324	V300-H322 HydrophobicContact CB-CB 4.47Å; V300-H322 WeakPolarHBondContact CG1-NE2 3.04Å; V300-H322 HydrophobicContact CG2-CB 4.44Å; C301-H322 PolarHBondContact SG-CE1 2.85Å; C301-H322 PolarHBondContact SG-ND1 3.34Å; H313-H322 AromaticContact CD2-CG 3.9Å; H313-H322 AromaticContact CD2-ND1 3.37Å; H313-H322 PolarHBondContact CD2-ND1 3.12Å; H313-H322 AromaticContact NE2-CE1 3.89Å; H313-H322 AromaticContact NE2-CG 3.97Å; H313-H322 AromaticContact NE2-ND1 3Å; H313-H322 PolarHBondContact NE2-ND1 3.33Å; F319-H322 AromaticContact CD1-CE1 3.42Å; F319-H322 VanDerWaalsContact CD1-CE1 3.42Å; F319-H322 WeakPolarHBondContact CD1-CE1 3.37Å; F319-H322 AromaticContact CD1-ND1 3.63Å; F319-H322 AromaticContact CD1-NE2 3.9Å; F319-H322 AromaticContact CE1-CE1 3.89Å; F319-H322 VanDerWaalsContact O-CB 3.26Å; F319-H322 WeakPolarHBondContact O-CB 3.39Å; F319-H322 PolarHBondContact O-N 3.25Å; Q320-H322 VanDerWaalsContact C-N 3.34Å; H322-L324 PolarHBondContact O-N 3Å
323	T	84.9	Confident	83.3	Confident	67 Å²	67	78.2 Å²	78.2	41%	0.411	43%	0.426	S	S	.	.			trans	-66.4	118.1	177.5	-44.3	0	0	0	0	111.4	L299 N321	L299-T323 HydrophobicContact CD1-CG2 4.11Å; L299-T323 PolarHBondContact N-O 2.79Å; N321-T323 PolarHBondContact O-N 2.88Å
324	L	87.6	Confident	83.1	Confident	47 Å²	47	82.6 Å²	82.6	25%	0.246	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	114.4	179.1	-66.4	173	0	0	0	111	K296 C298 L310 H313 L314 H322	K296-L324 HydrophobicContact CB-CB 4.28Å; K296-L324 HydrophobicContact CB-CD2 4.22Å; K296-L324 HydrophobicContact CD-CB 4.39Å; K296-L324 HydrophobicContact CG-CB 4.3Å; C298-L324 HydrophobicContact CB-CD2 3.85Å; L310-L324 HydrophobicContact CD1-CD1 3.88Å; L310-L324 HydrophobicContact CD1-CD2 3.67Å; L310-L324 HydrophobicContact CD1-CG 4.42Å; H313-L324 HydrophobicContact CB-CD1 4.36Å; H313-L324 HydrophobicContact CB-CD2 4.47Å; L314-L324 HydrophobicContact CD2-CD1 3.78Å; H322-L324 PolarHBondContact O-N 3Å
325	V	86.7	Confident	83	Confident	35 Å²	35	79.4 Å²	79.4	21%	0.212	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	172.1	174.4	-64.1	0	0	0	0	111.1	K296 T297 L299 M328	K296-V325 CarbonylContact C-O 3.57Å; K296-V325 VanDerWaalsContact CA-O 3.25Å; K296-V325 WeakPolarHBondContact CA-O 3.41Å; K296-V325 WeakPolarHBondContact CB-O 3.27Å; K296-V325 WeakPolarHBondContact CD-O 3.39Å; T297-V325 PolarHBondContact N-O 2.87Å; T297-V325 PolarHBondContact O-N 2.85Å; L299-V325 HydrophobicContact CD1-CG1 3.82Å; L299-V325 HydrophobicContact CD1-CG2 4.5Å; L299-V325 HydrophobicContact CD2-CG2 3.73Å; L299-V325 HydrophobicContact CG-CG1 4.12Å; L299-V325 HydrophobicContact CG-CG2 3.99Å; V325-M328 HydrophobicContact CG2-CE 3.77Å; V325-M328 HydrophobicContact CG2-CG 4.33Å; V325-M328 HydrophobicContact CG2-SD 3.91Å
326	S	87.5	Confident	82.9	Confident	80 Å²	80	73.1 Å²	73.1	56%	0.559	39%	0.393	S	S	*	.	S	Bend	trans	-54.5	159	170.4	-60.2	0	0	0	0	111.6	M328	S326-M328 WeakPolarHBondContact O-CG 3.4Å; S326-M328 PolarHBondContact O-N 2.99Å
327	P	86.9	Confident	82.7	Confident	49 Å²	49	77 Å²	77	32%	0.318	41%	0.407	S	S	.	.			trans	-58.2	130.7	179.4	-21.6	33	0	0	0	111.7	V281 A294 T297	V281-P327 HydrophobicContact CB-CB 3.78Å; V281-P327 HydrophobicContact CG1-CB 4.4Å; V281-P327 HydrophobicContact CG2-CB 3.74Å; A294-P327 HydrophobicContact CB-CB 4.28Å; A294-P327 WeakPolarHBondContact O-CG 3.5Å; T297-P327 WeakPolarHBondContact OG1-CA 3.47Å
328	M	80.2	Confident	82.6	Confident	35 Å²	35	78.7 Å²	78.7	17%	0.172	41%	0.407	C	S	.	.			trans	-124.3	139.2	177.7	-51.9	-169.6	-56	0	0	110.8	V281 T297 L299 S304 V325 S326 I331 W334	V281-M328 VanDerWaalsContact CG1-O 3.29Å; V281-M328 WeakPolarHBondContact CG1-O 3.41Å; T297-M328 HydrophobicContact CG2-CE 4.31Å; T297-M328 PolarHBondContact OG1-N 3.31Å; L299-M328 HydrophobicContact CD2-CE 3.64Å; S304-M328 PolarHBondContact OG-O 3.49Å; V325-M328 HydrophobicContact CG2-CE 3.77Å; V325-M328 HydrophobicContact CG2-CG 4.33Å; V325-M328 HydrophobicContact CG2-SD 3.91Å; S326-M328 WeakPolarHBondContact O-CG 3.4Å; S326-M328 PolarHBondContact O-N 2.99Å; M328-I331 HydrophobicContact CE-CD1 4.38Å; M328-I331 HydrophobicContact CE-CG1 4.44Å; M328-W334 VanDerWaalsContact CE-CD1 3.43Å; M328-W334 HydrophobicContact CE-CD2 4.23Å; M328-W334 HydrophobicContact CE-CG 3.96Å; M328-W334 HydrophobicContact SD-CZ2 4Å; M328-W334 PolarHBondContact SD-NE1 2.99Å
329	E	76.1	Confident	82.6	Confident	129 Å²	129	76.6 Å²	76.6	60%	0.603	39%	0.39	S	S	*	.	S	Bend	trans	-74.3	-42.1	177.6	-65.9	-179.9	152.6	0	0	111.8	S279 V281	S279-E329 WeakPolarHBondContact CB-OE1 3.33Å; S279-E329 PolarHBondContact OG-OE1 2.82Å; V281-E329 HydrophobicContact CG2-CG 3.79Å
330	D	78.3	Confident	82.5	Confident	71 Å²	71	78.8 Å²	78.8	38%	0.38	40%	0.401	S	S	.	.			trans	-119.4	121.9	174.7	-174.6	22.3	0	0	0	111.8	S332	D330-S332 WeakPolarHBondContact OD1-CB 3.39Å; D330-S332 PolarHBondContact OD1-N 2.76Å; D330-S332 PolarHBondContact OD1-OG 2.73Å
331	I	77.8	Confident	82.7	Confident	28 Å²	28	76.4 Å²	76.4	14%	0.144	39%	0.39	C	S	.	.			trans	-97.4	-9.5	174.5	-170.4	144.4	0	0	0	112.6	T297 L299 M328 L333 W334	T297-I331 HydrophobicContact CG2-CD1 3.53Å; L299-I331 HydrophobicContact CD2-CD1 4.06Å; M328-I331 HydrophobicContact CE-CD1 4.38Å; M328-I331 HydrophobicContact CE-CG1 4.44Å; I331-L333 VanDerWaalsContact C-N 3.25Å; I331-L333 PolarHBondContact O-N 3.09Å; I331-W334 WeakPolarHBondContact O-CB 3.46Å; I331-W334 PolarHBondContact O-N 3.4Å
332	S	74.9	Confident	83	Confident	53 Å²	53	70.3 Å²	70.3	37%	0.371	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-61.1	-34.5	-178.6	-45.6	0	0	0	0	111.9	D330 W334 R335 Q337	D330-S332 WeakPolarHBondContact OD1-CB 3.39Å; D330-S332 PolarHBondContact OD1-N 2.76Å; D330-S332 PolarHBondContact OD1-OG 2.73Å; S332-W334 PolarHBondContact O-N 2.66Å; S332-R335 PolarHBondContact O-N 2.79Å; S332-Q337 PolarHBondContact O-NE2 2.96Å
333	L	78	Confident	83.1	Confident	132 Å²	132	69.3 Å²	69.3	69%	0.691	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-62.7	-24.9	175.5	-57.7	174.2	0	0	0	113.5	I331 N343	I331-L333 VanDerWaalsContact C-N 3.25Å; I331-L333 PolarHBondContact O-N 3.09Å; L333-N343 PolarHBondContact O-ND2 3.38Å
334	W	80.9	Confident	83.2	Confident	112 Å²	112	72.9 Å²	72.9	42%	0.424	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-89.3	-2.4	-178.9	-68.1	80.7	0	0	0	113.4	L299 M328 I331 S332 I342 N343	L299-W334 HydrophobicContact CD1-CE3 4.17Å; L299-W334 HydrophobicContact CD1-CZ3 4.44Å; L299-W334 HydrophobicContact CD2-CB 4.36Å; L299-W334 HydrophobicContact CD2-CD2 4.26Å; L299-W334 HydrophobicContact CD2-CE3 4.37Å; L299-W334 HydrophobicContact CD2-CG 4.25Å; M328-W334 VanDerWaalsContact CE-CD1 3.43Å; M328-W334 HydrophobicContact CE-CD2 4.23Å; M328-W334 HydrophobicContact CE-CG 3.96Å; M328-W334 HydrophobicContact SD-CZ2 4Å; M328-W334 PolarHBondContact SD-NE1 2.99Å; I331-W334 WeakPolarHBondContact O-CB 3.46Å; I331-W334 PolarHBondContact O-N 3.4Å; S332-W334 PolarHBondContact O-N 2.66Å; W334-I342 WeakPolarHBondContact O-CA 3.49Å; W334-N343 PolarHBondContact O-N 3.41Å
335	R	84.6	Confident	83.4	Confident	52 Å²	52	72.4 Å²	72.4	20%	0.196	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-127.7	148.8	-179.6	-67.7	178.6	177.9	-171	-8.2	111.5	L299 V300 S332 Q337 E341 N343	L299-R335 PolarHBondContact O-NH2 3.26Å; V300-R335 VanDerWaalsContact C-NH2 3.3Å; V300-R335 PolarHBondContact O-NH2 3.06Å; S332-R335 PolarHBondContact O-N 2.79Å; R335-Q337 PolarHBondContact O-N 3.22Å; R335-E341 CarbonylContact C-O 3.59Å; R335-E341 VanDerWaalsContact CA-O 3.31Å; R335-E341 WeakPolarHBondContact CA-O 3.1Å; R335-N343 PolarHBondContact N-ND2 3.36Å; R335-N343 PolarHBondContact O-ND2 3.31Å; R335-N343 VanDerWaalsContact O-ND2 3.14Å
336	C	86.5	Confident	83.8	Confident	10 Å²	10	72 Å²	72	7%	0.068	35%	0.351	C	S	.	.			trans	-72.1	127.6	169.9	174.4	0	0	0	0	108.9	E338 H339 Q340 E341 N343 C355 C358	C336-E338 VanDerWaalsContact C-N 3.32Å; C336-E338 PolarHBondContact O-N 2.95Å; C336-H339 HydrophobicContact CB-CB 4.24Å; C336-H339 PolarHBondContact SG-N 3.26Å; C336-H339 PolarHBondContact SG-ND1 3.39Å; C336-Q340 WeakPolarHBondContact O-CA 3.26Å; C336-Q340 PolarHBondContact O-N 3.44Å; C336-E341 PolarHBondContact N-O 2.59Å; C336-N343 PolarHBondContact N-OD1 3.46Å; C336-N343 VanDerWaalsContact N-OD1 3.1Å; C336-C355 HydrophobicContact CB-CB 3.69Å; C336-C355 VanDerWaalsContact CB-SG 3.52Å; C336-C358 PolarHBondContact SG-SG 2.9Å
337	Q	85.6	Confident	84.1	Confident	116 Å²	116	68.1 Å²	68.1	54%	0.542	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-30.4	-178.8	-62.6	-56.8	-48.6	0	0	112.9	S332 R335 Q340	S332-Q337 PolarHBondContact O-NE2 2.96Å; R335-Q337 PolarHBondContact O-N 3.22Å; Q337-Q340 PolarHBondContact O-NE2 2.87Å
338	E	84.2	Confident	84.4	Confident	129 Å²	129	71.4 Å²	71.4	60%	0.603	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-42.6	176.9	-56.7	171.7	154.8	0	0	112.4	C336	C336-E338 VanDerWaalsContact C-N 3.32Å; C336-E338 PolarHBondContact O-N 2.95Å
339	H	84.6	Confident	85	Confident	65 Å²	65	75.1 Å²	75.1	30%	0.301	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-8.6	-168.1	-58.6	97	0	0	0	114	C336 E341 V357 C358	C336-H339 HydrophobicContact CB-CB 4.24Å; C336-H339 PolarHBondContact SG-N 3.26Å; C336-H339 PolarHBondContact SG-ND1 3.39Å; H339-E341 PolarHBondContact O-N 2.84Å; H339-V357 HydrophobicContact CB-CB 4.32Å; H339-V357 HydrophobicContact CB-CG2 4.48Å; H339-V357 WeakPolarHBondContact CD2-CG1 3.46Å; H339-C358 PolarHBondContact ND1-SG 3.26Å; H339-C358 VanDerWaalsContact ND1-SG 3.38Å
340	Q	83.2	Confident	85.8	Confident	107 Å²	107	71.6 Å²	71.6	50%	0.5	34%	0.336	S	S	.	.			trans	57.2	-4.9	-175	-61.9	-62.6	-45.6	0	0	116.5	C336 Q337	C336-Q340 WeakPolarHBondContact O-CA 3.26Å; C336-Q340 PolarHBondContact O-N 3.44Å; Q337-Q340 PolarHBondContact O-NE2 2.87Å
341	E	83	Confident	86.4	Confident	100 Å²	100	71.8 Å²	71.8	47%	0.467	35%	0.347	S	S	.	.			trans	-67.1	154.4	172.9	-87.9	-61	161.6	0	0	114.1	R335 C336 H339 N343 C355	R335-E341 CarbonylContact C-O 3.59Å; R335-E341 VanDerWaalsContact CA-O 3.31Å; R335-E341 WeakPolarHBondContact CA-O 3.1Å; C336-E341 PolarHBondContact N-O 2.59Å; H339-E341 PolarHBondContact O-N 2.84Å; E341-N343 PolarHBondContact O-N 3.4Å; E341-C355 HydrophobicContact CB-CB 3.73Å
342	I	85	Confident	87	Confident	21 Å²	21	72.1 Å²	72.1	11%	0.108	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-68.2	133.6	-178.8	-58.9	175.9	0	0	0	110.1	L299 V300 W334 R344	L299-I342 HydrophobicContact CB-CD1 4.23Å; V300-I342 HydrophobicContact CG2-CD1 4.48Å; W334-I342 WeakPolarHBondContact O-CA 3.49Å; I342-R344 HydrophobicContact CB-CG 4.22Å; I342-R344 HydrophobicContact CG2-CG 3.92Å; I342-R344 PolarHBondContact O-N 3.21Å
343	N	88.3	Confident	87.8	Confident	18 Å²	18	72.6 Å²	72.6	10%	0.096	36%	0.357	C	S	.	.			trans	-68.2	104.4	173.4	-68.1	-28	0	0	0	109.4	L333 W334 R335 C336 E341 C353 V354 C355 I372	L333-N343 PolarHBondContact O-ND2 3.38Å; W334-N343 PolarHBondContact O-N 3.41Å; R335-N343 PolarHBondContact N-ND2 3.36Å; R335-N343 PolarHBondContact O-ND2 3.31Å; R335-N343 VanDerWaalsContact O-ND2 3.14Å; C336-N343 PolarHBondContact N-OD1 3.46Å; C336-N343 VanDerWaalsContact N-OD1 3.1Å; E341-N343 PolarHBondContact O-N 3.4Å; N343-C353 HydrophobicContact CB-CB 4.01Å; N343-C353 PolarHBondContact ND2-O 3.31Å; N343-V354 CarbonylContact C-O 3.5Å; N343-V354 WeakPolarHBondContact CA-O 3.35Å; N343-V354 WeakPolarHBondContact OD1-CA 3.49Å; N343-C355 PolarHBondContact OD1-N 3.11Å; N343-C355 VanDerWaalsContact OD1-N 3.13Å; N343-I372 WeakPolarHBondContact O-CD1 3.36Å
344	R	87.2	Confident	88.4	Confident	141 Å²	141	66.8 Å²	66.8	53%	0.532	33%	0.327	S	S	.	.			trans	-120.7	-8.3	-171.9	-74.3	-175.7	174.5	-166	-0.4	114.3	I342 V354 I372	I342-R344 HydrophobicContact CB-CG 4.22Å; I342-R344 HydrophobicContact CG2-CG 3.92Å; I342-R344 PolarHBondContact O-N 3.21Å; R344-V354 PolarHBondContact N-O 2.85Å; R344-I372 WeakPolarHBondContact O-CG1 3.39Å
345	I	91.4	Very high	88.9	Confident	37 Å²	37	61.4 Å²	61.4	19%	0.19	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	143.3	-176.5	-54.1	-61.7	0	0	0	108.1	C353 V354 T356 T359 C369 I370	I345-C353 CarbonylContact O-C 3.36Å; I345-C353 WeakPolarHBondContact O-CA 3.48Å; I345-V354 HydrophobicContact CB-CG2 4.29Å; I345-V354 PolarHBondContact N-O 2.98Å; I345-V354 PolarHBondContact O-N 3.33Å; I345-T356 HydrophobicContact CD1-CG2 4.07Å; I345-T356 HydrophobicContact CG1-CG2 3.75Å; I345-T359 HydrophobicContact CB-CG2 4.44Å; I345-T359 HydrophobicContact CG2-CG2 4.01Å; I345-C369 HydrophobicContact CG2-CB 3.63Å; I345-I370 WeakPolarHBondContact CG2-O 3.26Å
346	Y	94.7	Very high	89.2	Confident	26 Å²	26	62.2 Å²	62.2	10%	0.102	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.1	174.4	177.7	-102.2	0	0	0	110.3	R348 A351 C369 I370 A375 L379	Y346-R348 HydrophobicContact CD1-CG 4.4Å; Y346-R348 HydrophobicContact CE1-CG 4.21Å; Y346-A351 WeakPolarHBondContact OH-CA 3.49Å; Y346-C369 VanDerWaalsContact O-CA 3.32Å; Y346-C369 WeakPolarHBondContact O-CA 3.27Å; Y346-I370 HydrophobicContact CD1-CD1 4.28Å; Y346-I370 HydrophobicContact CD1-CG1 4.13Å; Y346-I370 PolarHBondContact N-O 2.96Å; Y346-I370 PolarHBondContact O-N 3.3Å; Y346-A375 VanDerWaalsContact CB-CB 3.46Å; Y346-A375 HydrophobicContact CD1-CB 3.5Å; Y346-A375 HydrophobicContact CD2-CB 4.32Å; Y346-A375 HydrophobicContact CE1-CB 4.29Å; Y346-A375 HydrophobicContact CG-CB 3.51Å; Y346-L379 HydrophobicContact CE1-CD1 4.45Å; Y346-L379 HydrophobicContact CE2-CD1 4.15Å
347	C	94	Very high	89.4	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	109.7	178	179.8	0	0	0	0	110	Q349 C350 A351 A352 V354 H364 H367	C347-Q349 PolarHBondContact O-N 2.67Å; C347-C350 HydrophobicContact CB-CB 4.33Å; C347-C350 PolarHBondContact O-N 2.86Å; C347-C350 VanDerWaalsContact SG-SG 3.7Å; C347-A351 PolarHBondContact O-N 3.03Å; C347-A352 PolarHBondContact N-O 3.49Å; C347-A352 PolarHBondContact O-N 3.29Å; C347-V354 HydrophobicContact CB-CG2 4.29Å; C347-H364 PolarHBondContact SG-ND1 2.68Å; C347-H367 WeakPolarHBondContact SG-CB 3.39Å
348	R	93.8	Very high	89.6	Confident	117 Å²	117	58.5 Å²	58.5	44%	0.442	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-58.3	-45.1	-177.2	-73.5	-171.3	176.1	127.6	-2.6	112.6	Y346 C350 A351 A368 I370 E378	Y346-R348 HydrophobicContact CD1-CG 4.4Å; Y346-R348 HydrophobicContact CE1-CG 4.21Å; R348-C350 VanDerWaalsContact C-N 3.28Å; R348-C350 PolarHBondContact O-N 3.08Å; R348-A351 PolarHBondContact O-N 3.37Å; R348-A368 WeakPolarHBondContact CB-O 3.45Å; R348-A368 PolarHBondContact N-O 3.09Å; R348-I370 HydrophobicContact CG-CD1 4.45Å; R348-E378 IonicContact CZ-OE1 2.77Å; R348-E378 IonicContact CZ-OE2 3.8Å; R348-E378 IonicContact NE-OE1 2.73Å; R348-E378 PolarHBondContact NE-OE1 3.01Å; R348-E378 IonicContact NE-OE2 3.69Å; R348-E378 PolarHBondContact NE-OE2 2.91Å; R348-E378 IonicContact NH2-OE1 3.25Å; R348-E378 IonicContact NH2-OE2 3.93Å; R348-E378 PolarHBondContact NH2-OE2 2.96Å
349	Q	93.8	Very high	89.9	Confident	113 Å²	113	53.6 Å²	53.6	53%	0.528	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-63.3	-30	-177.4	-77	76.4	-0.6	0	0	113.8	C347 H367 A368	C347-Q349 PolarHBondContact O-N 2.67Å; Q349-H367 HydrophobicContact CB-CB 4.37Å; Q349-A368 PolarHBondContact OE1-O 2.88Å
350	C	91.5	Very high	90	Very high	56 Å²	56	55.2 Å²	55.2	38%	0.378	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-106.2	-0	-176	-57	0	0	0	0	112.8	C347 R348 A352 H364 H367	C347-C350 HydrophobicContact CB-CB 4.33Å; C347-C350 PolarHBondContact O-N 2.86Å; C347-C350 VanDerWaalsContact SG-SG 3.7Å; R348-C350 VanDerWaalsContact C-N 3.28Å; R348-C350 PolarHBondContact O-N 3.08Å; C350-A352 HydrophobicContact CB-CB 4.34Å; C350-A352 WeakPolarHBondContact O-CB 3.41Å; C350-A352 PolarHBondContact O-N 2.99Å; C350-A352 VanDerWaalsContact O-N 3.13Å; C350-H364 PolarHBondContact SG-CE1 3.32Å; C350-H367 VanDerWaalsContact SG-CE1 3.56Å
351	A	91.1	Very high	90.3	Very high	74 Å²	74	56.5 Å²	56.5	61%	0.612	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	35.2	-174.5	0	0	0	0	0	114.5	Y346 C347 R348	Y346-A351 WeakPolarHBondContact OH-CA 3.49Å; C347-A351 PolarHBondContact O-N 3.03Å; R348-A351 PolarHBondContact O-N 3.37Å
352	A	90.6	Very high	90.4	Very high	36 Å²	36	52.8 Å²	52.8	30%	0.298	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	146.5	-167.8	0	0	0	0	0	113	C347 C350	C347-A352 PolarHBondContact N-O 3.49Å; C347-A352 PolarHBondContact O-N 3.29Å; C350-A352 HydrophobicContact CB-CB 4.34Å; C350-A352 WeakPolarHBondContact O-CB 3.41Å; C350-A352 PolarHBondContact O-N 2.99Å; C350-A352 VanDerWaalsContact O-N 3.13Å
353	C	91.3	Very high	90.6	Very high	62 Å²	62	55.1 Å²	55.1	42%	0.419	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	130	168.2	-64.5	0	0	0	0	110.1	N343 I345	N343-C353 HydrophobicContact CB-CB 4.01Å; N343-C353 PolarHBondContact ND2-O 3.31Å; I345-C353 CarbonylContact O-C 3.36Å; I345-C353 WeakPolarHBondContact O-CA 3.48Å
354	V	91.7	Very high	90.7	Very high	10 Å²	10	55.6 Å²	55.6	6%	0.061	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	160.6	-175	-62.9	0	0	0	0	111.1	N343 R344 I345 C347 C358 T359	N343-V354 CarbonylContact C-O 3.5Å; N343-V354 WeakPolarHBondContact CA-O 3.35Å; N343-V354 WeakPolarHBondContact OD1-CA 3.49Å; R344-V354 PolarHBondContact N-O 2.85Å; I345-V354 HydrophobicContact CB-CG2 4.29Å; I345-V354 PolarHBondContact N-O 2.98Å; I345-V354 PolarHBondContact O-N 3.33Å; C347-V354 HydrophobicContact CB-CG2 4.29Å; V354-C358 HydrophobicContact CB-CB 4.2Å; V354-T359 HydrophobicContact CG2-CG2 3.59Å
355	C	90.9	Very high	90.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.314	C	S	.	.			trans	-77.4	162.9	173	80.3	0	0	0	0	111.5	C336 E341 N343 V357 C358	C336-C355 HydrophobicContact CB-CB 3.69Å; C336-C355 VanDerWaalsContact CB-SG 3.52Å; E341-C355 HydrophobicContact CB-CB 3.73Å; N343-C355 PolarHBondContact OD1-N 3.11Å; N343-C355 VanDerWaalsContact OD1-N 3.13Å; C355-V357 VanDerWaalsContact C-N 3.25Å; C355-V357 PolarHBondContact O-N 3.32Å; C355-C358 WeakPolarHBondContact O-CB 3.25Å; C355-C358 PolarHBondContact O-N 2.96Å
356	T	89.9	Confident	90.8	Very high	69 Å²	69	60 Å²	60	42%	0.423	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-26.5	178.5	45.2	0	0	0	0	113.7	I345 T359 V360	I345-T356 HydrophobicContact CD1-CG2 4.07Å; I345-T356 HydrophobicContact CG1-CG2 3.75Å; T356-T359 PolarHBondContact O-N 3.33Å; T356-T359 PolarHBondContact O-OG1 3.04Å; T356-V360 WeakPolarHBondContact O-CG2 3.35Å; T356-V360 PolarHBondContact O-N 3.28Å
357	V	91.2	Very high	90.8	Very high	43 Å²	43	62 Å²	62	26%	0.261	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-40.4	179.5	-165.9	0	0	0	0	110.9	H339 C355 T359 V360 I361 G362	H339-V357 HydrophobicContact CB-CB 4.32Å; H339-V357 HydrophobicContact CB-CG2 4.48Å; H339-V357 WeakPolarHBondContact CD2-CG1 3.46Å; C355-V357 VanDerWaalsContact C-N 3.25Å; C355-V357 PolarHBondContact O-N 3.32Å; V357-T359 PolarHBondContact O-N 3.34Å; V357-T359 VanDerWaalsContact O-N 3.16Å; V357-V360 PolarHBondContact O-N 2.97Å; V357-V360 VanDerWaalsContact O-N 3.16Å; V357-I361 HydrophobicContact CG1-CD1 3.7Å; V357-I361 HydrophobicContact CG1-CG1 3.6Å; V357-I361 PolarHBondContact O-N 3.08Å; V357-G362 PolarHBondContact O-N 2.87Å; V357-G362 VanDerWaalsContact O-N 3.16Å
358	C	90.6	Very high	90.8	Very high	4 Å²	4	64 Å²	64	3%	0.027	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-31	173.5	-67.2	0	0	0	0	113.1	C336 H339 V354 C355 G362 H364 R365	C336-C358 PolarHBondContact SG-SG 2.9Å; H339-C358 PolarHBondContact ND1-SG 3.26Å; H339-C358 VanDerWaalsContact ND1-SG 3.38Å; V354-C358 HydrophobicContact CB-CB 4.2Å; C355-C358 WeakPolarHBondContact O-CB 3.25Å; C355-C358 PolarHBondContact O-N 2.96Å; C358-G362 CarbonylContact O-C 3.52Å; C358-G362 WeakPolarHBondContact O-CA 3.43Å; C358-G362 PolarHBondContact O-N 3.07Å; C358-H364 HydrophobicContact CB-CB 4.42Å; C358-H364 CarbonylContact O-C 3.52Å; C358-H364 WeakPolarHBondContact O-CA 3.44Å; C358-H364 WeakPolarHBondContact O-CB 3.4Å; C358-H364 PolarHBondContact O-N 3.42Å; C358-R365 PolarHBondContact O-N 3.48Å
359	T	89.4	Confident	90.7	Very high	27 Å²	27	60.4 Å²	60.4	17%	0.166	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	0.4	-176.7	62.9	0	0	0	0	114.2	I345 V354 T356 V357 H364 C369	I345-T359 HydrophobicContact CB-CG2 4.44Å; I345-T359 HydrophobicContact CG2-CG2 4.01Å; V354-T359 HydrophobicContact CG2-CG2 3.59Å; T356-T359 PolarHBondContact O-N 3.33Å; T356-T359 PolarHBondContact O-OG1 3.04Å; V357-T359 PolarHBondContact O-N 3.34Å; V357-T359 VanDerWaalsContact O-N 3.16Å; T359-H364 HydrophobicContact CG2-CB 4.12Å; T359-C369 HydrophobicContact CG2-CB 3.97Å; T359-C369 WeakPolarHBondContact CG2-SG 3.46Å
360	V	87.9	Confident	90.7	Very high	99 Å²	99	56.2 Å²	56.2	60%	0.6	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.4	-39.4	178.5	178.9	0	0	0	0	112	T356 V357 R365	T356-V360 WeakPolarHBondContact O-CG2 3.35Å; T356-V360 PolarHBondContact O-N 3.28Å; V357-V360 PolarHBondContact O-N 2.97Å; V357-V360 VanDerWaalsContact O-N 3.16Å; V360-R365 WeakPolarHBondContact O-CD 3.48Å; V360-R365 WeakPolarHBondContact O-CG 3.24Å
361	I	88.5	Confident	90.7	Very high	133 Å²	133	55.5 Å²	55.5	68%	0.682	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.9	-12.6	178.5	60.1	174.3	0	0	0	114.5	V357	V357-I361 HydrophobicContact CG1-CD1 3.7Å; V357-I361 HydrophobicContact CG1-CG1 3.6Å; V357-I361 PolarHBondContact O-N 3.08Å
362	G	86.3	Confident	90.7	Very high	22 Å²	22	55 Å²	55	23%	0.227	32%	0.318	C	S	.	.	S	Bend	trans	-95.4	-163.5	-178.5	0	0	0	0	0	115.2	V357 C358 H364 R365	V357-G362 PolarHBondContact O-N 2.87Å; V357-G362 VanDerWaalsContact O-N 3.16Å; C358-G362 CarbonylContact O-C 3.52Å; C358-G362 WeakPolarHBondContact O-CA 3.43Å; C358-G362 PolarHBondContact O-N 3.07Å; G362-H364 PolarHBondContact O-N 3.41Å; G362-R365 PolarHBondContact O-N 2.92Å; G362-R365 VanDerWaalsContact O-N 3.16Å
363	S	88.8	Confident	90.7	Very high	70 Å²	70	63.3 Å²	63.3	49%	0.49	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-6.4	-173.4	45.4	0	0	0	0	116.4
364	H	90	Very high	90.7	Very high	29 Å²	29	65.6 Å²	65.6	13%	0.134	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	9.8	179.2	-62	-105.3	0	0	0	113.5	C347 C350 C358 T359 G362 D366 H367	C347-H364 PolarHBondContact SG-ND1 2.68Å; C350-H364 PolarHBondContact SG-CE1 3.32Å; C358-H364 HydrophobicContact CB-CB 4.42Å; C358-H364 CarbonylContact O-C 3.52Å; C358-H364 WeakPolarHBondContact O-CA 3.44Å; C358-H364 WeakPolarHBondContact O-CB 3.4Å; C358-H364 PolarHBondContact O-N 3.42Å; T359-H364 HydrophobicContact CG2-CB 4.12Å; G362-H364 PolarHBondContact O-N 3.41Å; H364-D366 VanDerWaalsContact C-N 3.29Å; H364-D366 PolarHBondContact O-N 2.91Å; H364-H367 AromaticContact CG-ND1 3.95Å; H364-H367 AromaticContact ND1-ND1 3.6Å; H364-H367 PolarHBondContact O-N 3.21Å
365	R	89.3	Confident	90.7	Very high	147 Å²	147	65.3 Å²	65.3	56%	0.555	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-42.5	-178.9	-172.7	-165.7	72.4	-161.5	-6	113.4	C358 V360 G362 H367	C358-R365 PolarHBondContact O-N 3.48Å; V360-R365 WeakPolarHBondContact O-CD 3.48Å; V360-R365 WeakPolarHBondContact O-CG 3.24Å; G362-R365 PolarHBondContact O-N 2.92Å; G362-R365 VanDerWaalsContact O-N 3.16Å; R365-H367 VanDerWaalsContact C-N 3.32Å
366	D	91.4	Very high	90.8	Very high	123 Å²	123	69.1 Å²	69.1	66%	0.658	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	18.2	-174.1	-55.8	-27.2	0	0	0	112.4	H364	H364-D366 VanDerWaalsContact C-N 3.29Å; H364-D366 PolarHBondContact O-N 2.91Å
367	H	94.7	Very high	91	Very high	69 Å²	69	73.8 Å²	73.8	32%	0.319	38%	0.377	S	S	.	.	S	Bend	trans	-104.1	154.1	177	-64.5	154.5	0	0	0	112.3	C347 Q349 C350 H364 R365 C369	C347-H367 WeakPolarHBondContact SG-CB 3.39Å; Q349-H367 HydrophobicContact CB-CB 4.37Å; C350-H367 VanDerWaalsContact SG-CE1 3.56Å; H364-H367 AromaticContact CG-ND1 3.95Å; H364-H367 AromaticContact ND1-ND1 3.6Å; H364-H367 PolarHBondContact O-N 3.21Å; R365-H367 VanDerWaalsContact C-N 3.32Å; H367-C369 PolarHBondContact O-N 3.1Å
368	A	93.3	Very high	91.1	Very high	42 Å²	42	74.3 Å²	74.3	35%	0.347	38%	0.377	S	S	.	.			trans	-75.8	98.3	176.1	0	0	0	0	0	110	R348 Q349	R348-A368 WeakPolarHBondContact CB-O 3.45Å; R348-A368 PolarHBondContact N-O 3.09Å; Q349-A368 PolarHBondContact OE1-O 2.88Å
369	C	93.2	Very high	91.2	Very high	41 Å²	41	77.7 Å²	77.7	28%	0.277	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135	-176	-70.7	0	0	0	0	111.5	I345 Y346 T359 H367	I345-C369 HydrophobicContact CG2-CB 3.63Å; Y346-C369 VanDerWaalsContact O-CA 3.32Å; Y346-C369 WeakPolarHBondContact O-CA 3.27Å; T359-C369 HydrophobicContact CG2-CB 3.97Å; T359-C369 WeakPolarHBondContact CG2-SG 3.46Å; H367-C369 PolarHBondContact O-N 3.1Å
370	I	93.1	Very high	91.5	Very high	24 Å²	24	83.6 Å²	83.6	12%	0.123	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	164.9	-177.1	60.5	174.2	0	0	0	110.9	I345 Y346 R348 E374 A375 E378	I345-I370 WeakPolarHBondContact CG2-O 3.26Å; Y346-I370 HydrophobicContact CD1-CD1 4.28Å; Y346-I370 HydrophobicContact CD1-CG1 4.13Å; Y346-I370 PolarHBondContact N-O 2.96Å; Y346-I370 PolarHBondContact O-N 3.3Å; R348-I370 HydrophobicContact CG-CD1 4.45Å; I370-E374 HydrophobicContact CB-CB 4.41Å; I370-E374 HydrophobicContact CD1-CB 4.22Å; I370-A375 HydrophobicContact CD1-CB 3.88Å; I370-A375 HydrophobicContact CG1-CB 4.13Å; I370-E378 WeakPolarHBondContact CD1-OE2 3.39Å
371	S	92.7	Very high	91.8	Very high	42 Å²	42	81.5 Å²	81.5	29%	0.294	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	153.3	177.2	75.3	0	0	0	0	111.6	R373 E374 A375	S371-R373 PolarHBondContact O-N 3.06Å; S371-E374 WeakPolarHBondContact CB-OE2 3.44Å; S371-E374 PolarHBondContact N-OE2 3.06Å; S371-E374 PolarHBondContact O-N 2.84Å; S371-E374 VanDerWaalsContact O-N 3.09Å; S371-E374 VanDerWaalsContact OG-CD 3.3Å; S371-E374 WeakPolarHBondContact OG-CG 3.23Å; S371-E374 PolarHBondContact OG-N 2.83Å; S371-E374 PolarHBondContact OG-OE2 3.47Å; S371-A375 PolarHBondContact O-N 3.24Å
372	I	90.3	Very high	92.1	Very high	63 Å²	63	78.8 Å²	78.8	32%	0.323	39%	0.394	S	S	.	.	H	α-helix	trans	-56.6	-32.4	175.9	-76.3	174.5	0	0	0	112.3	N343 R344 A375 E376	N343-I372 WeakPolarHBondContact O-CD1 3.36Å; R344-I372 WeakPolarHBondContact O-CG1 3.39Å; I372-A375 PolarHBondContact O-N 3.22Å; I372-E376 WeakPolarHBondContact O-CB 3.38Å; I372-E376 PolarHBondContact O-N 3.34Å
373	R	89.4	Confident	92.5	Very high	210 Å²	210	82 Å²	82	79%	0.792	41%	0.405	S	S	*	.	H	α-helix	trans	-69.3	-35.4	178.5	-67	-175.1	178.6	-171.7	0.1	112.7	S371 K377	S371-R373 PolarHBondContact O-N 3.06Å; R373-K377 WeakPolarHBondContact O-CB 3.2Å; R373-K377 PolarHBondContact O-N 3.3Å
374	E	92.3	Very high	92.9	Very high	111 Å²	111	86 Å²	86	52%	0.519	41%	0.414	S	S	.	.	H	α-helix	trans	-72.7	-44.8	175.3	-68.1	158.8	129.5	0	0	110.3	I370 S371 E376 K377 E378	I370-E374 HydrophobicContact CB-CB 4.41Å; I370-E374 HydrophobicContact CD1-CB 4.22Å; S371-E374 WeakPolarHBondContact CB-OE2 3.44Å; S371-E374 PolarHBondContact N-OE2 3.06Å; S371-E374 PolarHBondContact O-N 2.84Å; S371-E374 VanDerWaalsContact O-N 3.09Å; S371-E374 VanDerWaalsContact OG-CD 3.3Å; S371-E374 WeakPolarHBondContact OG-CG 3.23Å; S371-E374 PolarHBondContact OG-N 2.83Å; S371-E374 PolarHBondContact OG-OE2 3.47Å; E374-E376 PolarHBondContact O-N 3Å; E374-K377 WeakPolarHBondContact O-CB 3.38Å; E374-K377 PolarHBondContact O-N 2.92Å; E374-E378 WeakPolarHBondContact O-CB 3.33Å; E374-E378 PolarHBondContact O-N 2.96Å
375	A	92.5	Very high	93.2	Very high	3 Å²	3	88.6 Å²	88.6	3%	0.025	43%	0.426	C	S	.	.	H	α-helix	trans	-61.4	-42.1	175.1	0	0	0	0	0	112.8	Y346 I370 S371 I372 K377 E378 L379	Y346-A375 VanDerWaalsContact CB-CB 3.46Å; Y346-A375 HydrophobicContact CD1-CB 3.5Å; Y346-A375 HydrophobicContact CD2-CB 4.32Å; Y346-A375 HydrophobicContact CE1-CB 4.29Å; Y346-A375 HydrophobicContact CG-CB 3.51Å; I370-A375 HydrophobicContact CD1-CB 3.88Å; I370-A375 HydrophobicContact CG1-CB 4.13Å; S371-A375 PolarHBondContact O-N 3.24Å; I372-A375 PolarHBondContact O-N 3.22Å; A375-K377 VanDerWaalsContact C-N 3.29Å; A375-K377 PolarHBondContact O-N 2.9Å; A375-E378 PolarHBondContact O-N 3.25Å; A375-L379 VanDerWaalsContact O-CB 3.26Å; A375-L379 WeakPolarHBondContact O-CB 3.42Å; A375-L379 VanDerWaalsContact O-CG 3.24Å; A375-L379 WeakPolarHBondContact O-CG 3.45Å; A375-L379 PolarHBondContact O-N 2.7Å
376	E	92.5	Very high	93.5	Very high	80 Å²	80	86.7 Å²	86.7	37%	0.374	42%	0.423	S	S	.	.	H	α-helix	trans	-59.5	-40	174.7	180	-175.6	-169.7	0	0	111.5	I372 E374 R380	I372-E376 WeakPolarHBondContact O-CB 3.38Å; I372-E376 PolarHBondContact O-N 3.34Å; E374-E376 PolarHBondContact O-N 3Å; E376-R380 VanDerWaalsContact O-CB 3.23Å; E376-R380 WeakPolarHBondContact O-CB 3.48Å; E376-R380 VanDerWaalsContact O-CG 3.23Å; E376-R380 WeakPolarHBondContact O-CG 3.33Å; E376-R380 PolarHBondContact O-N 3.36Å; E376-R380 IonicContact OE1-CZ 2.78Å; E376-R380 IonicContact OE1-NH1 3.62Å; E376-R380 PolarHBondContact OE1-NH1 2.92Å; E376-R380 IonicContact OE1-NH2 3.82Å; E376-R380 PolarHBondContact OE1-NH2 2.91Å
377	K	93.9	Very high	93.7	Very high	167 Å²	167	84.5 Å²	84.5	73%	0.726	41%	0.411	S	S	*	.	H	α-helix	trans	-70.7	-43.8	176.7	-174.6	-175.4	176.4	-172.1	0	112	R373 E374 A375 A381	R373-K377 WeakPolarHBondContact O-CB 3.2Å; R373-K377 PolarHBondContact O-N 3.3Å; E374-K377 WeakPolarHBondContact O-CB 3.38Å; E374-K377 PolarHBondContact O-N 2.92Å; A375-K377 VanDerWaalsContact C-N 3.29Å; A375-K377 PolarHBondContact O-N 2.9Å; K377-A381 WeakPolarHBondContact O-CB 3.33Å; K377-A381 PolarHBondContact O-N 2.91Å
378	E	93.6	Very high	93.8	Very high	55 Å²	55	85.2 Å²	85.2	26%	0.257	41%	0.413	S	S	.	.	H	α-helix	trans	-65.1	-53.9	179.4	-176.8	173.8	141.5	0	0	111.4	R348 I370 E374 A375 R380 A381 N382	R348-E378 IonicContact CZ-OE1 2.77Å; R348-E378 IonicContact CZ-OE2 3.8Å; R348-E378 IonicContact NE-OE1 2.73Å; R348-E378 PolarHBondContact NE-OE1 3.01Å; R348-E378 IonicContact NE-OE2 3.69Å; R348-E378 PolarHBondContact NE-OE2 2.91Å; R348-E378 IonicContact NH2-OE1 3.25Å; R348-E378 IonicContact NH2-OE2 3.93Å; R348-E378 PolarHBondContact NH2-OE2 2.96Å; I370-E378 WeakPolarHBondContact CD1-OE2 3.39Å; E374-E378 WeakPolarHBondContact O-CB 3.33Å; E374-E378 PolarHBondContact O-N 2.96Å; A375-E378 PolarHBondContact O-N 3.25Å; E378-R380 VanDerWaalsContact C-N 3.31Å; E378-R380 PolarHBondContact O-N 3.17Å; E378-A381 WeakPolarHBondContact O-CA 3.31Å; E378-A381 WeakPolarHBondContact O-CB 3.19Å; E378-A381 PolarHBondContact O-N 3.39Å; E378-N382 VanDerWaalsContact O-CG 3.3Å; E378-N382 PolarHBondContact O-N 3.23Å; E378-N382 PolarHBondContact O-OD1 3.25Å
379	L	93.1	Very high	94	Very high	75 Å²	75	88.3 Å²	88.3	39%	0.393	42%	0.42	S	S	.	.	H	α-helix	trans	-63.4	-34.4	179.1	-64.9	171.5	0	0	0	112.2	Y346 A375 A381 L383	Y346-L379 HydrophobicContact CE1-CD1 4.45Å; Y346-L379 HydrophobicContact CE2-CD1 4.15Å; A375-L379 VanDerWaalsContact O-CB 3.26Å; A375-L379 WeakPolarHBondContact O-CB 3.42Å; A375-L379 VanDerWaalsContact O-CG 3.24Å; A375-L379 WeakPolarHBondContact O-CG 3.45Å; A375-L379 PolarHBondContact O-N 2.7Å; L379-A381 VanDerWaalsContact C-N 3.35Å; L379-L383 VanDerWaalsContact O-CB 3.22Å; L379-L383 WeakPolarHBondContact O-CB 3.5Å; L379-L383 PolarHBondContact O-N 3.34Å
380	R	94.5	Very high	94.1	Very high	150 Å²	150	92.1 Å²	92.1	57%	0.566	44%	0.437	S	S	*	.	H	α-helix	trans	-73	-22	171.5	-76.7	-175.7	-177.5	139.1	13.4	114.1	E376 E378 K384	E376-R380 VanDerWaalsContact O-CB 3.23Å; E376-R380 WeakPolarHBondContact O-CB 3.48Å; E376-R380 VanDerWaalsContact O-CG 3.23Å; E376-R380 WeakPolarHBondContact O-CG 3.33Å; E376-R380 PolarHBondContact O-N 3.36Å; E376-R380 IonicContact OE1-CZ 2.78Å; E376-R380 IonicContact OE1-NH1 3.62Å; E376-R380 PolarHBondContact OE1-NH1 2.92Å; E376-R380 IonicContact OE1-NH2 3.82Å; E376-R380 PolarHBondContact OE1-NH2 2.91Å; E378-R380 VanDerWaalsContact C-N 3.31Å; E378-R380 PolarHBondContact O-N 3.17Å; R380-K384 WeakPolarHBondContact O-CD 3.41Å; R380-K384 VanDerWaalsContact O-CG 3.26Å; R380-K384 WeakPolarHBondContact O-CG 3.23Å
381	A	95	Very high	94.4	Very high	56 Å²	56	96.5 Å²	96.5	46%	0.463	46%	0.457	S	S	.	.	H	α-helix	trans	-76.3	-48.2	171	0	0	0	0	0	109.9	K377 E378 L379 L383 K384 E385	K377-A381 WeakPolarHBondContact O-CB 3.33Å; K377-A381 PolarHBondContact O-N 2.91Å; E378-A381 WeakPolarHBondContact O-CA 3.31Å; E378-A381 WeakPolarHBondContact O-CB 3.19Å; E378-A381 PolarHBondContact O-N 3.39Å; L379-A381 VanDerWaalsContact C-N 3.35Å; A381-L383 PolarHBondContact O-N 3.25Å; A381-K384 WeakPolarHBondContact O-CB 3.25Å; A381-K384 PolarHBondContact O-N 3.11Å; A381-K384 VanDerWaalsContact O-N 3.13Å; A381-E385 PolarHBondContact O-N 3.13Å; A381-E385 VanDerWaalsContact O-N 3.16Å
382	N	94.5	Very high	94.6	Very high	76 Å²	76	98.9 Å²	98.9	41%	0.406	46%	0.464	S	S	.	.	H	α-helix	trans	-57.2	-50.2	176.8	-61.7	-1	0	0	0	111.1	E378 K384 E385 E386	E378-N382 VanDerWaalsContact O-CG 3.3Å; E378-N382 PolarHBondContact O-N 3.23Å; E378-N382 PolarHBondContact O-OD1 3.25Å; N382-K384 PolarHBondContact O-N 2.76Å; N382-E385 PolarHBondContact O-N 3.24Å; N382-E386 WeakPolarHBondContact O-CG 3.38Å; N382-E386 PolarHBondContact O-N 3.3Å
383	L	95.1	Very high	94.9	Very high	90 Å²	90	98 Å²	98	47%	0.471	47%	0.466	S	S	.	.	H	α-helix	trans	-58.1	-33.2	177.5	178.5	61.9	0	0	0	113.2	L379 A381 I387	L379-L383 VanDerWaalsContact O-CB 3.22Å; L379-L383 WeakPolarHBondContact O-CB 3.5Å; L379-L383 PolarHBondContact O-N 3.34Å; A381-L383 PolarHBondContact O-N 3.25Å; L383-I387 HydrophobicContact CD1-CD1 4.02Å; L383-I387 HydrophobicContact CD1-CG1 4.23Å; L383-I387 HydrophobicContact CG-CD1 3.94Å; L383-I387 WeakPolarHBondContact O-CB 3.36Å; L383-I387 WeakPolarHBondContact O-CD1 3.49Å; L383-I387 WeakPolarHBondContact O-CG1 3.33Å; L383-I387 PolarHBondContact O-N 3.15Å
384	K	95.9	Very high	95.3	Very high	154 Å²	154	92.9 Å²	92.9	67%	0.67	45%	0.451	S	S	*	.	H	α-helix	trans	-69.9	-40.7	175.7	-78.1	173.4	178.7	-173.5	0	111.8	R380 A381 N382 K388	R380-K384 WeakPolarHBondContact O-CD 3.41Å; R380-K384 VanDerWaalsContact O-CG 3.26Å; R380-K384 WeakPolarHBondContact O-CG 3.23Å; A381-K384 WeakPolarHBondContact O-CB 3.25Å; A381-K384 PolarHBondContact O-N 3.11Å; A381-K384 VanDerWaalsContact O-N 3.13Å; N382-K384 PolarHBondContact O-N 2.76Å; K384-K388 WeakPolarHBondContact O-CB 3.34Å; K384-K388 PolarHBondContact O-N 3.03Å
385	E	96.2	Very high	95.5	Very high	82 Å²	82	91.9 Å²	91.9	38%	0.383	45%	0.446	S	S	.	.	H	α-helix	trans	-72.1	-37.1	177	-167.8	57.9	-146.2	0	0	111.3	A381 N382 K388 Q389	A381-E385 PolarHBondContact O-N 3.13Å; A381-E385 VanDerWaalsContact O-N 3.16Å; N382-E385 PolarHBondContact O-N 3.24Å; E385-K388 PolarHBondContact O-N 3.15Å; E385-K388 IonicContact OE1-NZ 2.7Å; E385-K388 PolarHBondContact OE1-NZ 2.85Å; E385-K388 IonicContact OE2-NZ 2.89Å; E385-Q389 WeakPolarHBondContact O-CB 3.46Å; E385-Q389 VanDerWaalsContact O-CG 3.29Å; E385-Q389 WeakPolarHBondContact O-CG 3.13Å; E385-Q389 PolarHBondContact O-N 3.24Å
386	E	96	Very high	95.8	Very high	108 Å²	108	98.3 Å²	98.3	51%	0.505	48%	0.476	S	S	.	.	H	α-helix	trans	-60.3	-46.2	170.6	-72.9	171.6	-165.6	0	0	111.8	N382 K388 Q389 L390	N382-E386 WeakPolarHBondContact O-CG 3.38Å; N382-E386 PolarHBondContact O-N 3.3Å; E386-K388 VanDerWaalsContact C-N 3.32Å; E386-K388 PolarHBondContact O-N 3.49Å; E386-Q389 PolarHBondContact O-N 3.22Å; E386-L390 WeakPolarHBondContact O-CB 3.32Å; E386-L390 VanDerWaalsContact O-CG 3.27Å; E386-L390 WeakPolarHBondContact O-CG 3.48Å; E386-L390 PolarHBondContact O-N 3.26Å
387	I	97	Very high	96	Very high	76 Å²	76	99 Å²	99	39%	0.39	49%	0.485	S	S	.	.	H	α-helix	trans	-60.4	-42.8	174.6	-74.1	166.2	0	0	0	110.9	L383 L390 Q391	L383-I387 HydrophobicContact CD1-CD1 4.02Å; L383-I387 HydrophobicContact CD1-CG1 4.23Å; L383-I387 HydrophobicContact CG-CD1 3.94Å; L383-I387 WeakPolarHBondContact O-CB 3.36Å; L383-I387 WeakPolarHBondContact O-CD1 3.49Å; L383-I387 WeakPolarHBondContact O-CG1 3.33Å; L383-I387 PolarHBondContact O-N 3.15Å; I387-L390 PolarHBondContact O-N 2.86Å; I387-Q391 HydrophobicContact CG2-CG 4.49Å; I387-Q391 WeakPolarHBondContact O-CB 3.39Å; I387-Q391 VanDerWaalsContact O-CG 3.28Å; I387-Q391 WeakPolarHBondContact O-CG 3.18Å; I387-Q391 PolarHBondContact O-N 2.83Å
388	K	96.9	Very high	96.2	Very high	84 Å²	84	95.3 Å²	95.3	37%	0.365	47%	0.469	S	S	.	.	H	α-helix	trans	-63.7	-46.1	177.4	174	178.6	155.6	-61.6	0	111.7	K384 E385 E386 L390 Q391 E392	K384-K388 WeakPolarHBondContact O-CB 3.34Å; K384-K388 PolarHBondContact O-N 3.03Å; E385-K388 PolarHBondContact O-N 3.15Å; E385-K388 IonicContact OE1-NZ 2.7Å; E385-K388 PolarHBondContact OE1-NZ 2.85Å; E385-K388 IonicContact OE2-NZ 2.89Å; E386-K388 VanDerWaalsContact C-N 3.32Å; E386-K388 PolarHBondContact O-N 3.49Å; K388-L390 VanDerWaalsContact C-N 3.33Å; K388-L390 PolarHBondContact O-N 2.86Å; K388-Q391 PolarHBondContact O-N 3.32Å; K388-E392 WeakPolarHBondContact CE-OE1 3.43Å; K388-E392 VanDerWaalsContact CG-OE1 3.3Å; K388-E392 WeakPolarHBondContact CG-OE1 3.38Å; K388-E392 IonicContact NZ-OE1 3.79Å; K388-E392 PolarHBondContact NZ-OE1 3.4Å; K388-E392 WeakPolarHBondContact O-CG 3.33Å; K388-E392 PolarHBondContact O-N 2.77Å
389	Q	96.3	Very high	96.4	Very high	107 Å²	107	97 Å²	97	50%	0.5	48%	0.48	S	S	.	.	H	α-helix	trans	-61.9	-39	175.1	-72.2	173.6	17	0	0	112.1	E385 E386 E392 A393	E385-Q389 WeakPolarHBondContact O-CB 3.46Å; E385-Q389 VanDerWaalsContact O-CG 3.29Å; E385-Q389 WeakPolarHBondContact O-CG 3.13Å; E385-Q389 PolarHBondContact O-N 3.24Å; E386-Q389 PolarHBondContact O-N 3.22Å; Q389-E392 PolarHBondContact O-N 3.47Å; Q389-A393 VanDerWaalsContact O-CB 3.31Å; Q389-A393 WeakPolarHBondContact O-CB 3.4Å; Q389-A393 PolarHBondContact O-N 3.14Å
390	L	96.6	Very high	96.6	Very high	122 Å²	122	100.4 Å²	100.4	64%	0.639	49%	0.488	S	S	*	.	H	α-helix	trans	-66.4	-37.4	174	-73	170.1	0	0	0	112.3	E386 I387 K388 A393 E394	E386-L390 WeakPolarHBondContact O-CB 3.32Å; E386-L390 VanDerWaalsContact O-CG 3.27Å; E386-L390 WeakPolarHBondContact O-CG 3.48Å; E386-L390 PolarHBondContact O-N 3.26Å; I387-L390 PolarHBondContact O-N 2.86Å; K388-L390 VanDerWaalsContact C-N 3.33Å; K388-L390 PolarHBondContact O-N 2.86Å; L390-A393 PolarHBondContact O-N 2.83Å; L390-E394 VanDerWaalsContact O-CB 3.29Å; L390-E394 WeakPolarHBondContact O-CB 3.44Å; L390-E394 PolarHBondContact O-N 2.96Å
391	Q	97.5	Very high	96.8	Very high	116 Å²	116	97.3 Å²	97.3	54%	0.542	49%	0.485	S	S	.	.	H	α-helix	trans	-68.9	-40.8	174.5	-74.5	171.1	-15.5	0	0	112.2	I387 K388 E394 Q395	I387-Q391 HydrophobicContact CG2-CG 4.49Å; I387-Q391 WeakPolarHBondContact O-CB 3.39Å; I387-Q391 VanDerWaalsContact O-CG 3.28Å; I387-Q391 WeakPolarHBondContact O-CG 3.18Å; I387-Q391 PolarHBondContact O-N 2.83Å; K388-Q391 PolarHBondContact O-N 3.32Å; Q391-E394 PolarHBondContact O-N 3.09Å; Q391-Q395 WeakPolarHBondContact O-CB 3.37Å; Q391-Q395 PolarHBondContact O-N 3.38Å
392	E	97.4	Very high	96.9	Very high	91 Å²	91	98 Å²	98	43%	0.425	48%	0.484	S	S	.	.	H	α-helix	trans	-61.8	-44	172.8	-72.8	170.5	-158.2	0	0	110.9	K388 Q389 Q395 Q396	K388-E392 WeakPolarHBondContact CE-OE1 3.43Å; K388-E392 VanDerWaalsContact CG-OE1 3.3Å; K388-E392 WeakPolarHBondContact CG-OE1 3.38Å; K388-E392 IonicContact NZ-OE1 3.79Å; K388-E392 PolarHBondContact NZ-OE1 3.4Å; K388-E392 WeakPolarHBondContact O-CG 3.33Å; K388-E392 PolarHBondContact O-N 2.77Å; Q389-E392 PolarHBondContact O-N 3.47Å; E392-Q395 PolarHBondContact O-N 2.82Å; E392-Q396 WeakPolarHBondContact O-CG 3.38Å; E392-Q396 PolarHBondContact O-N 3.02Å
393	A	96.5	Very high	97.1	Very high	45 Å²	45	97.1 Å²	97.1	37%	0.372	48%	0.477	S	S	.	.	H	α-helix	trans	-66.6	-40.7	175.2	0	0	0	0	0	112.7	Q389 L390 Q395 Q396 V397	Q389-A393 VanDerWaalsContact O-CB 3.31Å; Q389-A393 WeakPolarHBondContact O-CB 3.4Å; Q389-A393 PolarHBondContact O-N 3.14Å; L390-A393 PolarHBondContact O-N 2.83Å; A393-Q395 VanDerWaalsContact C-N 3.3Å; A393-Q395 PolarHBondContact O-N 3.18Å; A393-Q396 PolarHBondContact O-N 3.49Å; A393-V397 WeakPolarHBondContact O-CG2 3.43Å; A393-V397 PolarHBondContact O-N 3.25Å
394	E	97.6	Very high	97.2	Very high	102 Å²	102	97.7 Å²	97.7	48%	0.477	48%	0.48	S	S	.	.	H	α-helix	trans	-59.4	-42.5	173.7	-168.1	-163.8	162.4	0	0	110.7	L390 Q391 V397 K398	L390-E394 VanDerWaalsContact O-CB 3.29Å; L390-E394 WeakPolarHBondContact O-CB 3.44Å; L390-E394 PolarHBondContact O-N 2.96Å; Q391-E394 PolarHBondContact O-N 3.09Å; E394-V397 PolarHBondContact O-N 2.98Å; E394-K398 WeakPolarHBondContact O-CG 3.36Å; E394-K398 PolarHBondContact O-N 2.91Å; E394-K398 WeakPolarHBondContact OE1-CE 3.46Å; E394-K398 IonicContact OE1-NZ 3.82Å; E394-K398 PolarHBondContact OE1-NZ 2.98Å; E394-K398 IonicContact OE2-NZ 3.32Å
395	Q	97.5	Very high	97.3	Very high	91 Å²	91	93.1 Å²	93.1	43%	0.425	47%	0.465	S	S	.	.	H	α-helix	trans	-69.7	-38.1	177.8	-166.3	58.7	45.6	0	0	112.4	Q391 E392 A393 V397 K398 N399	Q391-Q395 WeakPolarHBondContact O-CB 3.37Å; Q391-Q395 PolarHBondContact O-N 3.38Å; E392-Q395 PolarHBondContact O-N 2.82Å; A393-Q395 VanDerWaalsContact C-N 3.3Å; A393-Q395 PolarHBondContact O-N 3.18Å; Q395-V397 VanDerWaalsContact C-N 3.33Å; Q395-V397 PolarHBondContact O-N 3.47Å; Q395-K398 PolarHBondContact O-N 3.09Å; Q395-N399 PolarHBondContact NE2-OD1 3.21Å; Q395-N399 WeakPolarHBondContact O-CB 3.29Å; Q395-N399 PolarHBondContact O-N 3.03Å; Q395-N399 PolarHBondContact O-OD1 3.21Å
396	Q	97.4	Very high	97.3	Very high	137 Å²	137	94.9 Å²	94.9	64%	0.64	47%	0.473	S	S	*	.	H	α-helix	trans	-59.7	-43.7	171.1	-72.5	176.6	28.8	0	0	111.5	E392 A393 N399 R400	E392-Q396 WeakPolarHBondContact O-CG 3.38Å; E392-Q396 PolarHBondContact O-N 3.02Å; A393-Q396 PolarHBondContact O-N 3.49Å; Q396-N399 PolarHBondContact O-N 3.31Å; Q396-R400 WeakPolarHBondContact O-CB 3.41Å; Q396-R400 PolarHBondContact O-N 3.02Å
397	V	97.5	Very high	97.4	Very high	94 Å²	94	93.9 Å²	93.9	57%	0.57	47%	0.467	S	S	*	.	H	α-helix	trans	-64.5	-42.6	176.2	171.5	0	0	0	0	111.5	A393 E394 Q395 R400 V401	A393-V397 WeakPolarHBondContact O-CG2 3.43Å; A393-V397 PolarHBondContact O-N 3.25Å; E394-V397 PolarHBondContact O-N 2.98Å; Q395-V397 VanDerWaalsContact C-N 3.33Å; Q395-V397 PolarHBondContact O-N 3.47Å; V397-R400 WeakPolarHBondContact O-CB 3.5Å; V397-R400 PolarHBondContact O-N 2.79Å; V397-V401 HydrophobicContact CG1-CG2 4.48Å; V397-V401 WeakPolarHBondContact O-CG2 3.47Å; V397-V401 PolarHBondContact O-N 2.99Å
398	K	98.1	Very high	97.4	Very high	91 Å²	91	97 Å²	97	40%	0.396	48%	0.478	S	S	.	.	H	α-helix	trans	-57.7	-50.8	174.1	-75.2	167.8	-176.4	162.2	0	111.7	E394 Q395 R400 V401 T402	E394-K398 WeakPolarHBondContact O-CG 3.36Å; E394-K398 PolarHBondContact O-N 2.91Å; E394-K398 WeakPolarHBondContact OE1-CE 3.46Å; E394-K398 IonicContact OE1-NZ 3.82Å; E394-K398 PolarHBondContact OE1-NZ 2.98Å; E394-K398 IonicContact OE2-NZ 3.32Å; Q395-K398 PolarHBondContact O-N 3.09Å; K398-R400 VanDerWaalsContact C-N 3.26Å; K398-R400 PolarHBondContact O-N 3.11Å; K398-V401 PolarHBondContact O-N 3.26Å; K398-V401 VanDerWaalsContact O-N 3.08Å; K398-T402 PolarHBondContact O-N 3.04Å
399	N	97.5	Very high	97.5	Very high	89 Å²	89	99.1 Å²	99.1	48%	0.476	49%	0.489	S	S	.	.	H	α-helix	trans	-60.1	-37.4	178.3	-65	1.8	0	0	0	111.6	Q395 Q396 T402 E403	Q395-N399 PolarHBondContact NE2-OD1 3.21Å; Q395-N399 WeakPolarHBondContact O-CB 3.29Å; Q395-N399 PolarHBondContact O-N 3.03Å; Q395-N399 PolarHBondContact O-OD1 3.21Å; Q396-N399 PolarHBondContact O-N 3.31Å; N399-T402 PolarHBondContact O-OG1 2.91Å; N399-E403 VanDerWaalsContact O-CB 3.31Å; N399-E403 WeakPolarHBondContact O-CB 3.48Å; N399-E403 PolarHBondContact O-N 2.89Å
400	R	97.9	Very high	97.6	Very high	148 Å²	148	98 Å²	98	56%	0.558	49%	0.489	S	S	*	.	H	α-helix	trans	-67.6	-35.5	176	-157	62	158	161	-5.5	112.3	Q396 V397 K398 E403 L404	Q396-R400 WeakPolarHBondContact O-CB 3.41Å; Q396-R400 PolarHBondContact O-N 3.02Å; V397-R400 WeakPolarHBondContact O-CB 3.5Å; V397-R400 PolarHBondContact O-N 2.79Å; K398-R400 VanDerWaalsContact C-N 3.26Å; K398-R400 PolarHBondContact O-N 3.11Å; R400-E403 WeakPolarHBondContact CD-OE2 3.36Å; R400-E403 IonicContact CZ-OE2 2.67Å; R400-E403 IonicContact NE-OE2 3.9Å; R400-E403 IonicContact NH1-OE1 3.6Å; R400-E403 PolarHBondContact NH1-OE1 2.7Å; R400-E403 IonicContact NH1-OE2 2.85Å; R400-E403 PolarHBondContact NH1-OE2 3.37Å; R400-L404 HydrophobicContact CG-CD1 4.37Å; R400-L404 WeakPolarHBondContact O-CB 3.26Å; R400-L404 WeakPolarHBondContact O-CD1 3.39Å; R400-L404 WeakPolarHBondContact O-CG 3.42Å; R400-L404 PolarHBondContact O-N 3.22Å; R400-L404 VanDerWaalsContact O-N 3.13Å
401	V	98.1	Very high	97.6	Very high	84 Å²	84	98.5 Å²	98.5	51%	0.509	49%	0.487	S	S	.	.	H	α-helix	trans	-72.1	-39.2	177	168	0	0	0	0	111.9	V397 K398 T405	V397-V401 HydrophobicContact CG1-CG2 4.48Å; V397-V401 WeakPolarHBondContact O-CG2 3.47Å; V397-V401 PolarHBondContact O-N 2.99Å; K398-V401 PolarHBondContact O-N 3.26Å; K398-V401 VanDerWaalsContact O-N 3.08Å; V401-T405 VanDerWaalsContact O-CB 3.32Å; V401-T405 WeakPolarHBondContact O-CB 3.44Å; V401-T405 PolarHBondContact O-N 2.91Å; V401-T405 PolarHBondContact O-OG1 3.46Å
402	T	97.7	Very high	97.6	Very high	71 Å²	71	96.5 Å²	96.5	44%	0.436	48%	0.483	S	S	.	.	H	α-helix	trans	-66.7	-49.1	174.2	56.1	0	0	0	0	110.8	K398 N399 L404 T405 E406	K398-T402 PolarHBondContact O-N 3.04Å; N399-T402 PolarHBondContact O-OG1 2.91Å; T402-L404 VanDerWaalsContact C-N 3.28Å; T402-L404 PolarHBondContact O-N 3.16Å; T402-T405 PolarHBondContact O-N 2.79Å; T402-E406 WeakPolarHBondContact O-CG 3.44Å; T402-E406 PolarHBondContact O-N 3.41Å
403	E	98	Very high	97.6	Very high	58 Å²	58	95 Å²	95	27%	0.271	49%	0.486	S	S	.	.	H	α-helix	trans	-51.4	-45.4	175.6	-173.9	-156.6	163.5	0	0	112.2	N399 R400 K407	N399-E403 VanDerWaalsContact O-CB 3.31Å; N399-E403 WeakPolarHBondContact O-CB 3.48Å; N399-E403 PolarHBondContact O-N 2.89Å; R400-E403 WeakPolarHBondContact CD-OE2 3.36Å; R400-E403 IonicContact CZ-OE2 2.67Å; R400-E403 IonicContact NE-OE2 3.9Å; R400-E403 IonicContact NH1-OE1 3.6Å; R400-E403 PolarHBondContact NH1-OE1 2.7Å; R400-E403 IonicContact NH1-OE2 2.85Å; R400-E403 PolarHBondContact NH1-OE2 3.37Å; E403-K407 HydrophobicContact CG-CD 4.25Å; E403-K407 WeakPolarHBondContact O-CB 3.39Å; E403-K407 VanDerWaalsContact O-CG 3.24Å; E403-K407 WeakPolarHBondContact O-CG 3.27Å; E403-K407 PolarHBondContact O-N 3.21Å; E403-K407 VanDerWaalsContact O-N 3.09Å; E403-K407 IonicContact OE1-NZ 3.4Å; E403-K407 PolarHBondContact OE1-NZ 2.92Å
404	L	97.7	Very high	97.6	Very high	102 Å²	102	97.2 Å²	97.2	53%	0.534	50%	0.495	S	S	.	.	H	α-helix	trans	-75.3	-25.4	-179.9	-70.4	173	0	0	0	113.3	R400 T402 K408	R400-L404 HydrophobicContact CG-CD1 4.37Å; R400-L404 WeakPolarHBondContact O-CB 3.26Å; R400-L404 WeakPolarHBondContact O-CD1 3.39Å; R400-L404 WeakPolarHBondContact O-CG 3.42Å; R400-L404 PolarHBondContact O-N 3.22Å; R400-L404 VanDerWaalsContact O-N 3.13Å; T402-L404 VanDerWaalsContact C-N 3.28Å; T402-L404 PolarHBondContact O-N 3.16Å; L404-K408 VanDerWaalsContact O-CB 3.24Å; L404-K408 WeakPolarHBondContact O-CB 3.4Å; L404-K408 PolarHBondContact O-N 3Å
405	T	97.4	Very high	97.6	Very high	58 Å²	58	97.9 Å²	97.9	36%	0.356	50%	0.501	S	S	.	.	H	α-helix	trans	-77.1	-45.2	176.2	-61.7	0	0	0	0	110.7	V401 T402 K407 K408 E409	V401-T405 VanDerWaalsContact O-CB 3.32Å; V401-T405 WeakPolarHBondContact O-CB 3.44Å; V401-T405 PolarHBondContact O-N 2.91Å; V401-T405 PolarHBondContact O-OG1 3.46Å; T402-T405 PolarHBondContact O-N 2.79Å; T405-K407 VanDerWaalsContact C-N 3.34Å; T405-K407 PolarHBondContact O-N 3.25Å; T405-K408 WeakPolarHBondContact O-CB 3.37Å; T405-K408 PolarHBondContact O-N 3.17Å; T405-K408 VanDerWaalsContact O-N 3.16Å; T405-E409 WeakPolarHBondContact O-CG 3.49Å; T405-E409 PolarHBondContact O-N 3.49Å
406	E	97.6	Very high	97.5	Very high	118 Å²	118	96.8 Å²	96.8	55%	0.551	50%	0.501	S	S	*	.	H	α-helix	trans	-59	-44	173.2	-68.7	160.2	-157.3	0	0	111.4	T402 E409 T410	T402-E406 WeakPolarHBondContact O-CG 3.44Å; T402-E406 PolarHBondContact O-N 3.41Å; E406-E409 PolarHBondContact O-N 2.66Å; E406-T410 WeakPolarHBondContact O-CB 3.38Å; E406-T410 WeakPolarHBondContact O-CG2 3.38Å; E406-T410 PolarHBondContact O-N 3.34Å; E406-T410 PolarHBondContact O-OG1 3.01Å
407	K	97.6	Very high	97.5	Very high	88 Å²	88	97.3 Å²	97.3	38%	0.383	50%	0.503	S	S	.	.	H	α-helix	trans	-63.1	-41.4	173.6	-74.8	173.4	-179.1	-179.4	0	112.6	E403 T405 T410 F411	E403-K407 HydrophobicContact CG-CD 4.25Å; E403-K407 WeakPolarHBondContact O-CB 3.39Å; E403-K407 VanDerWaalsContact O-CG 3.24Å; E403-K407 WeakPolarHBondContact O-CG 3.27Å; E403-K407 PolarHBondContact O-N 3.21Å; E403-K407 VanDerWaalsContact O-N 3.09Å; E403-K407 IonicContact OE1-NZ 3.4Å; E403-K407 PolarHBondContact OE1-NZ 2.92Å; T405-K407 VanDerWaalsContact C-N 3.34Å; T405-K407 PolarHBondContact O-N 3.25Å; K407-T410 WeakPolarHBondContact CA-OG1 3.33Å; K407-T410 PolarHBondContact O-OG1 3.08Å; K407-T410 VanDerWaalsContact O-OG1 3.06Å; K407-F411 HydrophobicContact CB-CE2 4.3Å; K407-F411 HydrophobicContact CB-CZ 4.42Å; K407-F411 VanDerWaalsContact O-CB 3.31Å; K407-F411 WeakPolarHBondContact O-CB 3.5Å; K407-F411 VanDerWaalsContact O-CD2 3.24Å; K407-F411 WeakPolarHBondContact O-CD2 3.36Å; K407-F411 WeakPolarHBondContact O-CG 3.25Å; K407-F411 PolarHBondContact O-N 2.85Å
408	K	97.7	Very high	97.4	Very high	142 Å²	142	95.5 Å²	95.5	62%	0.617	50%	0.498	S	S	*	.	H	α-helix	trans	-62.8	-42.3	175	176.3	-167.5	170.1	-161.4	0	111.9	L404 T405 T412	L404-K408 VanDerWaalsContact O-CB 3.24Å; L404-K408 WeakPolarHBondContact O-CB 3.4Å; L404-K408 PolarHBondContact O-N 3Å; T405-K408 WeakPolarHBondContact O-CB 3.37Å; T405-K408 PolarHBondContact O-N 3.17Å; T405-K408 VanDerWaalsContact O-N 3.16Å; K408-T412 WeakPolarHBondContact O-CB 3.46Å; K408-T412 PolarHBondContact O-N 2.81Å; K408-T412 PolarHBondContact O-OG1 3.19Å
409	E	97.6	Very high	97.3	Very high	128 Å²	128	96 Å²	96	60%	0.598	51%	0.505	S	S	*	.	H	α-helix	trans	-70	-45.9	-178.7	-73.3	177.7	-178.7	0	0	111.7	T405 E406 T412 A413	T405-E409 WeakPolarHBondContact O-CG 3.49Å; T405-E409 PolarHBondContact O-N 3.49Å; E406-E409 PolarHBondContact O-N 2.66Å; E409-T412 WeakPolarHBondContact O-CB 3.37Å; E409-T412 PolarHBondContact O-N 3.11Å; E409-T412 VanDerWaalsContact O-N 3.13Å; E409-A413 PolarHBondContact O-N 3.22Å
410	T	97.8	Very high	97.3	Very high	82 Å²	82	95.7 Å²	95.7	50%	0.503	50%	0.503	S	S	.	.	H	α-helix	trans	-60.8	-44.3	173.7	47.7	0	0	0	0	112.4	E406 K407 T412 A413 V414	E406-T410 WeakPolarHBondContact O-CB 3.38Å; E406-T410 WeakPolarHBondContact O-CG2 3.38Å; E406-T410 PolarHBondContact O-N 3.34Å; E406-T410 PolarHBondContact O-OG1 3.01Å; K407-T410 WeakPolarHBondContact CA-OG1 3.33Å; K407-T410 PolarHBondContact O-OG1 3.08Å; K407-T410 VanDerWaalsContact O-OG1 3.06Å; T410-T412 VanDerWaalsContact C-N 3.32Å; T410-T412 PolarHBondContact O-N 3.5Å; T410-A413 PolarHBondContact O-N 3.18Å; T410-V414 WeakPolarHBondContact O-CG2 3.46Å; T410-V414 PolarHBondContact O-N 3.1Å; T410-V414 VanDerWaalsContact O-N 3.09Å
411	F	97.5	Very high	97.2	Very high	133 Å²	133	89.9 Å²	89.9	58%	0.583	49%	0.489	S	S	*	.	H	α-helix	trans	-63.6	-36.3	173	-62.7	-16.6	0	0	0	112.4	K407 A413 V414 L415	K407-F411 HydrophobicContact CB-CE2 4.3Å; K407-F411 HydrophobicContact CB-CZ 4.42Å; K407-F411 VanDerWaalsContact O-CB 3.31Å; K407-F411 WeakPolarHBondContact O-CB 3.5Å; K407-F411 VanDerWaalsContact O-CD2 3.24Å; K407-F411 WeakPolarHBondContact O-CD2 3.36Å; K407-F411 WeakPolarHBondContact O-CG 3.25Å; K407-F411 PolarHBondContact O-N 2.85Å; F411-A413 VanDerWaalsContact C-N 3.34Å; F411-V414 PolarHBondContact O-N 2.71Å; F411-L415 WeakPolarHBondContact O-CB 3.39Å; F411-L415 VanDerWaalsContact O-CG 3.24Å; F411-L415 WeakPolarHBondContact O-CG 3.22Å; F411-L415 PolarHBondContact O-N 2.84Å
412	T	97.6	Very high	97	Very high	75 Å²	75	90 Å²	90	46%	0.46	49%	0.49	S	S	.	.	H	α-helix	trans	-64.9	-38.6	176.3	-58.7	0	0	0	0	111.3	K408 E409 T410 T416	K408-T412 WeakPolarHBondContact O-CB 3.46Å; K408-T412 PolarHBondContact O-N 2.81Å; K408-T412 PolarHBondContact O-OG1 3.19Å; E409-T412 WeakPolarHBondContact O-CB 3.37Å; E409-T412 PolarHBondContact O-N 3.11Å; E409-T412 VanDerWaalsContact O-N 3.13Å; T410-T412 VanDerWaalsContact C-N 3.32Å; T410-T412 PolarHBondContact O-N 3.5Å; T412-T416 WeakPolarHBondContact O-CB 3.4Å; T412-T416 PolarHBondContact O-N 3.09Å; T412-T416 PolarHBondContact O-OG1 3.15Å
413	A	97.3	Very high	96.9	Very high	60 Å²	60	91.9 Å²	91.9	50%	0.496	49%	0.492	S	S	.	.	H	α-helix	trans	-62.8	-54	174.7	0	0	0	0	0	111.4	E409 T410 F411 L415 T416 E417	E409-A413 PolarHBondContact O-N 3.22Å; T410-A413 PolarHBondContact O-N 3.18Å; F411-A413 VanDerWaalsContact C-N 3.34Å; A413-L415 VanDerWaalsContact C-N 3.34Å; A413-L415 PolarHBondContact O-N 2.94Å; A413-T416 WeakPolarHBondContact O-CB 3.35Å; A413-T416 PolarHBondContact O-N 3.3Å; A413-E417 PolarHBondContact O-N 3.49Å
414	V	97.3	Very high	96.8	Very high	91 Å²	91	95.7 Å²	95.7	55%	0.552	51%	0.51	S	S	*	.	H	α-helix	trans	-58.8	-42	180	174.1	0	0	0	0	112.1	T410 F411 T416 E417 A418	T410-V414 WeakPolarHBondContact O-CG2 3.46Å; T410-V414 PolarHBondContact O-N 3.1Å; T410-V414 VanDerWaalsContact O-N 3.09Å; F411-V414 PolarHBondContact O-N 2.71Å; V414-T416 VanDerWaalsContact C-N 3.33Å; V414-T416 PolarHBondContact O-N 2.91Å; V414-E417 PolarHBondContact O-N 2.74Å; V414-A418 WeakPolarHBondContact O-CB 3.29Å; V414-A418 PolarHBondContact O-N 2.92Å
415	L	96.6	Very high	96.6	Very high	116 Å²	116	96.6 Å²	96.6	61%	0.607	51%	0.512	S	S	*	.	H	α-helix	trans	-67.1	-32.8	175.9	-71.2	171.2	0	0	0	112.7	F411 A413 L419	F411-L415 WeakPolarHBondContact O-CB 3.39Å; F411-L415 VanDerWaalsContact O-CG 3.24Å; F411-L415 WeakPolarHBondContact O-CG 3.22Å; F411-L415 PolarHBondContact O-N 2.84Å; A413-L415 VanDerWaalsContact C-N 3.34Å; A413-L415 PolarHBondContact O-N 2.94Å; L415-L419 WeakPolarHBondContact O-CB 3.22Å; L415-L419 WeakPolarHBondContact O-CD1 3.38Å; L415-L419 WeakPolarHBondContact O-CG 3.38Å; L415-L419 PolarHBondContact O-N 2.89Å
416	T	96.4	Very high	96.3	Very high	68 Å²	68	100.8 Å²	100.8	42%	0.417	52%	0.522	S	S	.	.	H	α-helix	trans	-71.5	-44.5	176.3	-56.3	0	0	0	0	110.9	T412 A413 V414 L419 D420	T412-T416 WeakPolarHBondContact O-CB 3.4Å; T412-T416 PolarHBondContact O-N 3.09Å; T412-T416 PolarHBondContact O-OG1 3.15Å; A413-T416 WeakPolarHBondContact O-CB 3.35Å; A413-T416 PolarHBondContact O-N 3.3Å; V414-T416 VanDerWaalsContact C-N 3.33Å; V414-T416 PolarHBondContact O-N 2.91Å; T416-L419 PolarHBondContact O-N 3.18Å; T416-D420 PolarHBondContact O-N 2.8Å
417	E	97.4	Very high	96.2	Very high	147 Å²	147	96.5 Å²	96.5	69%	0.687	51%	0.509	S	S	*	.	H	α-helix	trans	-58.1	-48	174.7	-177.6	176.8	-169.2	0	0	111.5	A413 V414 L419 D420 G421	A413-E417 PolarHBondContact O-N 3.49Å; V414-E417 PolarHBondContact O-N 2.74Å; E417-L419 PolarHBondContact O-N 3.25Å; E417-D420 PolarHBondContact O-N 3.44Å; E417-G421 PolarHBondContact O-N 3.41Å
418	A	95.4	Very high	96	Very high	57 Å²	57	95 Å²	95	47%	0.471	51%	0.513	S	S	.	.	H	α-helix	trans	-60.9	-43	175.7	0	0	0	0	0	112.4	V414 V422	V414-A418 WeakPolarHBondContact O-CB 3.29Å; V414-A418 PolarHBondContact O-N 2.92Å; A418-V422 WeakPolarHBondContact O-CG2 3.46Å; A418-V422 PolarHBondContact O-N 2.83Å
419	L	95.9	Very high	95.7	Very high	102 Å²	102	92.4 Å²	92.4	53%	0.534	51%	0.505	S	S	.	.	H	α-helix	trans	-63.9	-41.4	176.7	-79.3	170	0	0	0	112.6	L415 T416 E417 K423	L415-L419 WeakPolarHBondContact O-CB 3.22Å; L415-L419 WeakPolarHBondContact O-CD1 3.38Å; L415-L419 WeakPolarHBondContact O-CG 3.38Å; L415-L419 PolarHBondContact O-N 2.89Å; T416-L419 PolarHBondContact O-N 3.18Å; E417-L419 PolarHBondContact O-N 3.25Å; L419-K423 WeakPolarHBondContact O-CD 3.32Å; L419-K423 VanDerWaalsContact O-CE 3.27Å; L419-K423 WeakPolarHBondContact O-CE 3.4Å; L419-K423 WeakPolarHBondContact O-CG 3.41Å; L419-K423 PolarHBondContact O-N 3.21Å; L419-K423 VanDerWaalsContact O-N 3.09Å
420	D	96.5	Very high	95.4	Very high	81 Å²	81	92.3 Å²	92.3	43%	0.433	50%	0.499	S	S	.	.	H	α-helix	trans	-75.4	-34.7	179.8	-74.5	-20.4	0	0	0	111.9	T416 E417 K423 Q424	T416-D420 PolarHBondContact O-N 2.8Å; E417-D420 PolarHBondContact O-N 3.44Å; D420-K423 PolarHBondContact O-N 3.3Å; D420-K423 WeakPolarHBondContact OD1-CD 3.3Å; D420-K423 WeakPolarHBondContact OD1-CE 3.14Å; D420-K423 IonicContact OD1-NZ 3.24Å; D420-K423 PolarHBondContact OD1-NZ 2.85Å; D420-Q424 VanDerWaalsContact O-CB 3.3Å; D420-Q424 WeakPolarHBondContact O-CB 3.5Å; D420-Q424 PolarHBondContact O-N 2.94Å
421	G	97.1	Very high	95.3	Very high	27 Å²	27	92.8 Å²	92.8	28%	0.278	50%	0.496	S	S	.	.	H	α-helix	trans	-58.6	-48	168.9	0	0	0	0	0	112.4	E417 K423 Q424 Q425	E417-G421 PolarHBondContact O-N 3.41Å; G421-K423 PolarHBondContact O-N 2.87Å; G421-Q424 WeakPolarHBondContact O-CB 3.44Å; G421-Q424 PolarHBondContact O-N 3.19Å; G421-Q425 WeakPolarHBondContact O-CG 3.29Å; G421-Q425 PolarHBondContact O-N 2.81Å
422	V	93	Very high	95	Very high	86 Å²	86	89.1 Å²	89.1	52%	0.521	49%	0.49	S	S	.	.	H	α-helix	trans	-60.6	-44.7	174.8	171.2	0	0	0	0	111.3	A418 Q424 Q425 Y426	A418-V422 WeakPolarHBondContact O-CG2 3.46Å; A418-V422 PolarHBondContact O-N 2.83Å; V422-Q424 VanDerWaalsContact C-N 3.29Å; V422-Q424 PolarHBondContact O-N 3.13Å; V422-Q425 PolarHBondContact O-N 2.9Å; V422-Y426 HydrophobicContact CG1-CD2 3.98Å; V422-Y426 HydrophobicContact CG1-CE2 4.25Å; V422-Y426 WeakPolarHBondContact O-CD2 3.4Å; V422-Y426 PolarHBondContact O-N 3.37Å; V422-Y426 VanDerWaalsContact O-N 3.08Å
423	K	95.1	Very high	94.7	Very high	110 Å²	110	88.7 Å²	88.7	48%	0.478	49%	0.485	S	S	.	.	H	α-helix	trans	-61	-37.8	175.6	-69.7	164.5	-145.9	157.2	0	112.2	L419 D420 G421 G427	L419-K423 WeakPolarHBondContact O-CD 3.32Å; L419-K423 VanDerWaalsContact O-CE 3.27Å; L419-K423 WeakPolarHBondContact O-CE 3.4Å; L419-K423 WeakPolarHBondContact O-CG 3.41Å; L419-K423 PolarHBondContact O-N 3.21Å; L419-K423 VanDerWaalsContact O-N 3.09Å; D420-K423 PolarHBondContact O-N 3.3Å; D420-K423 WeakPolarHBondContact OD1-CD 3.3Å; D420-K423 WeakPolarHBondContact OD1-CE 3.14Å; D420-K423 IonicContact OD1-NZ 3.24Å; D420-K423 PolarHBondContact OD1-NZ 2.85Å; G421-K423 PolarHBondContact O-N 2.87Å; K423-G427 WeakPolarHBondContact O-CA 3.28Å; K423-G427 PolarHBondContact O-N 3.31Å
424	Q	96.8	Very high	94.5	Very high	138 Å²	138	89.9 Å²	89.9	65%	0.645	48%	0.483	S	S	*	.	H	α-helix	trans	-67.4	-48	179	-174.7	-177.5	14.1	0	0	111.3	D420 G421 V422 G427 A428	D420-Q424 VanDerWaalsContact O-CB 3.3Å; D420-Q424 WeakPolarHBondContact O-CB 3.5Å; D420-Q424 PolarHBondContact O-N 2.94Å; G421-Q424 WeakPolarHBondContact O-CB 3.44Å; G421-Q424 PolarHBondContact O-N 3.19Å; V422-Q424 VanDerWaalsContact C-N 3.29Å; V422-Q424 PolarHBondContact O-N 3.13Å; Q424-G427 CarbonylContact O-C 3.55Å; Q424-G427 WeakPolarHBondContact O-CA 3.49Å; Q424-G427 PolarHBondContact O-N 3.19Å; Q424-A428 PolarHBondContact O-N 2.84Å
425	Q	93.2	Very high	94.4	Very high	122 Å²	122	89.8 Å²	89.8	57%	0.57	48%	0.476	S	S	*	.	H	α-helix	trans	-62.5	-49.5	178.7	-64.1	-59.7	-16.6	0	0	111.5	G421 V422 G427 A428 I429	G421-Q425 WeakPolarHBondContact O-CG 3.29Å; G421-Q425 PolarHBondContact O-N 2.81Å; V422-Q425 PolarHBondContact O-N 2.9Å; Q425-G427 PolarHBondContact O-N 2.9Å; Q425-A428 PolarHBondContact O-N 3.17Å; Q425-I429 WeakPolarHBondContact O-CG1 3.39Å; Q425-I429 PolarHBondContact O-N 3.28Å
426	Y	91	Very high	94.2	Very high	145 Å²	145	86.9 Å²	86.9	57%	0.569	46%	0.46	S	S	*	.	H	α-helix	trans	-66.6	-20.8	173	-81.1	-85.7	0	0	0	113	V422 R430	V422-Y426 HydrophobicContact CG1-CD2 3.98Å; V422-Y426 HydrophobicContact CG1-CE2 4.25Å; V422-Y426 WeakPolarHBondContact O-CD2 3.4Å; V422-Y426 PolarHBondContact O-N 3.37Å; V422-Y426 VanDerWaalsContact O-N 3.08Å; Y426-R430 WeakPolarHBondContact O-CG 3.25Å; Y426-R430 PolarHBondContact O-N 3.19Å; Y426-R430 PolarHBondContact O-NE 2.95Å; Y426-R430 PolarHBondContact O-NH2 2.92Å
427	G	94.7	Very high	94	Very high	28 Å²	28	89.1 Å²	89.1	29%	0.289	47%	0.465	S	S	.	.	H	α-helix	trans	-67.4	-52.1	169	0	0	0	0	0	111.7	K423 Q424 Q425 I429 R430 E431	K423-G427 WeakPolarHBondContact O-CA 3.28Å; K423-G427 PolarHBondContact O-N 3.31Å; Q424-G427 CarbonylContact O-C 3.55Å; Q424-G427 WeakPolarHBondContact O-CA 3.49Å; Q424-G427 PolarHBondContact O-N 3.19Å; Q425-G427 PolarHBondContact O-N 2.9Å; G427-I429 PolarHBondContact O-N 2.96Å; G427-R430 PolarHBondContact O-N 2.98Å; G427-E431 PolarHBondContact O-N 3.33Å
428	A	94.4	Very high	94	Very high	56 Å²	56	88 Å²	88	46%	0.463	46%	0.46	S	S	.	.	H	α-helix	trans	-61.9	-41.4	177.7	0	0	0	0	0	112.4	Q424 Q425 R430 E431 A432	Q424-A428 PolarHBondContact O-N 2.84Å; Q425-A428 PolarHBondContact O-N 3.17Å; A428-R430 VanDerWaalsContact C-N 3.34Å; A428-R430 PolarHBondContact O-N 2.86Å; A428-E431 PolarHBondContact O-N 2.84Å; A428-A432 WeakPolarHBondContact O-CB 3.36Å; A428-A432 PolarHBondContact O-N 2.86Å
429	I	90.8	Very high	93.8	Very high	89 Å²	89	88.5 Å²	88.5	46%	0.456	46%	0.458	S	S	.	.	H	α-helix	trans	-59.7	-43.9	174.7	-67.7	165.1	0	0	0	111	Q425 G427 A432 L433	Q425-I429 WeakPolarHBondContact O-CG1 3.39Å; Q425-I429 PolarHBondContact O-N 3.28Å; G427-I429 PolarHBondContact O-N 2.96Å; I429-A432 PolarHBondContact O-N 2.82Å; I429-L433 HydrophobicContact CG2-CD1 4.06Å; I429-L433 WeakPolarHBondContact O-CG 3.45Å; I429-L433 PolarHBondContact O-N 3.12Å
430	R	92.7	Very high	93.7	Very high	125 Å²	125	84.3 Å²	84.3	47%	0.472	44%	0.438	S	S	.	.	H	α-helix	trans	-66.8	-45.5	176.5	-79.2	173	-67.8	-171	-0.3	112.3	Y426 G427 A428 A432 L433 D434	Y426-R430 WeakPolarHBondContact O-CG 3.25Å; Y426-R430 PolarHBondContact O-N 3.19Å; Y426-R430 PolarHBondContact O-NE 2.95Å; Y426-R430 PolarHBondContact O-NH2 2.92Å; G427-R430 PolarHBondContact O-N 2.98Å; A428-R430 VanDerWaalsContact C-N 3.34Å; A428-R430 PolarHBondContact O-N 2.86Å; R430-A432 VanDerWaalsContact C-N 3.27Å; R430-A432 PolarHBondContact O-N 3.32Å; R430-L433 PolarHBondContact O-N 3.06Å; R430-D434 WeakPolarHBondContact O-CB 3.42Å; R430-D434 PolarHBondContact O-N 2.83Å
431	E	95.3	Very high	93.6	Very high	93 Å²	93	83.9 Å²	83.9	44%	0.435	44%	0.435	S	S	.	.	H	α-helix	trans	-63.9	-33.1	177.1	178.2	161.8	-157.2	0	0	112.2	R112 G427 A428 Q435	R112-E431 IonicContact CZ-OE1 3.93Å; R112-E431 IonicContact NH2-OE1 3.7Å; R112-E431 PolarHBondContact NH2-OE1 3.39Å; G427-E431 PolarHBondContact O-N 3.33Å; A428-E431 PolarHBondContact O-N 2.84Å; E431-Q435 HydrophobicContact CG-CG 4.39Å; E431-Q435 VanDerWaalsContact CG-NE2 3.29Å; E431-Q435 WeakPolarHBondContact O-CB 3.48Å; E431-Q435 WeakPolarHBondContact O-CG 3.38Å; E431-Q435 PolarHBondContact O-N 2.7Å; E431-Q435 PolarHBondContact OE1-NE2 3.43Å
432	A	91.4	Very high	93.5	Very high	56 Å²	56	88.4 Å²	88.4	46%	0.463	44%	0.444	S	S	.	.	H	α-helix	trans	-65	-45.9	172.9	0	0	0	0	0	112	A428 I429 R430 Q435 E436	A428-A432 WeakPolarHBondContact O-CB 3.36Å; A428-A432 PolarHBondContact O-N 2.86Å; I429-A432 PolarHBondContact O-N 2.82Å; R430-A432 VanDerWaalsContact C-N 3.27Å; R430-A432 PolarHBondContact O-N 3.32Å; A432-Q435 PolarHBondContact O-N 2.87Å; A432-E436 WeakPolarHBondContact O-CB 3.29Å; A432-E436 PolarHBondContact O-N 3.43Å
433	L	90.6	Very high	93.5	Very high	66 Å²	66	86.2 Å²	86.2	35%	0.346	43%	0.431	S	S	.	.	H	α-helix	trans	-64.3	-43.1	175.6	-69.3	169	0	0	0	112	I429 R430 Q435 E436 E437 V539	I429-L433 HydrophobicContact CG2-CD1 4.06Å; I429-L433 WeakPolarHBondContact O-CG 3.45Å; I429-L433 PolarHBondContact O-N 3.12Å; R430-L433 PolarHBondContact O-N 3.06Å; L433-Q435 VanDerWaalsContact C-N 3.28Å; L433-Q435 PolarHBondContact O-N 2.92Å; L433-E436 PolarHBondContact O-N 2.66Å; L433-E437 WeakPolarHBondContact O-CB 3.2Å; L433-E437 PolarHBondContact O-N 2.75Å; L433-V539 HydrophobicContact CD2-CG2 4.26Å
434	D	94	Very high	93.5	Very high	85 Å²	85	83.8 Å²	83.8	46%	0.455	43%	0.426	S	S	.	.	H	α-helix	trans	-59.2	-38.4	174.9	-69.7	-6	0	0	0	111.2	R430 Q438	R430-D434 WeakPolarHBondContact O-CB 3.42Å; R430-D434 PolarHBondContact O-N 2.83Å; D434-Q438 VanDerWaalsContact O-CB 3.29Å; D434-Q438 WeakPolarHBondContact O-CB 3.33Å; D434-Q438 WeakPolarHBondContact O-CG 3.2Å; D434-Q438 PolarHBondContact O-N 3.28Å; D434-Q438 PolarHBondContact O-NE2 3.25Å
435	Q	94.5	Very high	93.3	Very high	88 Å²	88	83 Å²	83	41%	0.411	42%	0.42	S	S	.	.	H	α-helix	trans	-74.8	-33.7	177.7	-74.3	-179.9	32.6	0	0	112.8	E431 A432 L433 T439	E431-Q435 HydrophobicContact CG-CG 4.39Å; E431-Q435 VanDerWaalsContact CG-NE2 3.29Å; E431-Q435 WeakPolarHBondContact O-CB 3.48Å; E431-Q435 WeakPolarHBondContact O-CG 3.38Å; E431-Q435 PolarHBondContact O-N 2.7Å; E431-Q435 PolarHBondContact OE1-NE2 3.43Å; A432-Q435 PolarHBondContact O-N 2.87Å; L433-Q435 VanDerWaalsContact C-N 3.28Å; L433-Q435 PolarHBondContact O-N 2.92Å; Q435-T439 WeakPolarHBondContact O-CB 3.34Å; Q435-T439 PolarHBondContact O-N 2.82Å; Q435-T439 VanDerWaalsContact O-N 3.16Å; Q435-T439 PolarHBondContact O-OG1 2.9Å
436	E	91.9	Very high	93.3	Very high	56 Å²	56	81.2 Å²	81.2	26%	0.262	41%	0.412	S	S	.	.	H	α-helix	trans	-67.5	-47.5	173.8	-174.6	164.5	-145.5	0	0	110.9	A432 L433 Q438 T439 A440 W531 R535	A432-E436 WeakPolarHBondContact O-CB 3.29Å; A432-E436 PolarHBondContact O-N 3.43Å; L433-E436 PolarHBondContact O-N 2.66Å; E436-Q438 PolarHBondContact O-N 3.19Å; E436-T439 WeakPolarHBondContact O-CA 3.36Å; E436-T439 WeakPolarHBondContact O-CB 3.47Å; E436-T439 PolarHBondContact O-N 3.44Å; E436-A440 PolarHBondContact O-N 3.43Å; E436-W531 HydrophobicContact CG-CH2 3.65Å; E436-W531 HydrophobicContact CG-CZ2 4.29Å; E436-W531 WeakPolarHBondContact OE1-CH2 3.31Å; E436-W531 WeakPolarHBondContact OE1-CZ2 3.13Å; E436-R535 IonicContact OE1-CZ 3.3Å; E436-R535 IonicContact OE1-NE 3.26Å; E436-R535 PolarHBondContact OE1-NE 2.85Å; E436-R535 IonicContact OE1-NH2 2.91Å; E436-R535 PolarHBondContact OE1-NH2 2.7Å; E436-R535 IonicContact OE2-CZ 3.82Å; E436-R535 IonicContact OE2-NE 3.3Å; E436-R535 PolarHBondContact OE2-NE 2.98Å; E436-R535 IonicContact OE2-NH2 3.48Å; E436-R535 PolarHBondContact OE2-NH2 2.88Å
437	E	93	Very high	93.4	Very high	115 Å²	115	74.7 Å²	74.7	54%	0.537	39%	0.386	S	S	.	.	H	α-helix	trans	-57.7	-48.8	172.9	-170.7	-160.8	-168.6	0	0	111.4	L433 T439 A440 L441	L433-E437 WeakPolarHBondContact O-CB 3.2Å; L433-E437 PolarHBondContact O-N 2.75Å; E437-T439 PolarHBondContact O-N 3.41Å; E437-T439 VanDerWaalsContact O-N 3.09Å; E437-A440 PolarHBondContact O-N 3.36Å; E437-L441 HydrophobicContact CG-CD1 3.84Å; E437-L441 HydrophobicContact CG-CG 4.2Å; E437-L441 WeakPolarHBondContact O-CB 3.41Å; E437-L441 WeakPolarHBondContact O-CG 3.39Å; E437-L441 PolarHBondContact O-N 3.43Å
438	Q	95.9	Very high	93.3	Very high	122 Å²	122	78.2 Å²	78.2	57%	0.57	40%	0.396	S	S	*	.	H	α-helix	trans	-62.2	-16.1	176.3	-79	170.3	79.1	0	0	114	D434 E436	D434-Q438 VanDerWaalsContact O-CB 3.29Å; D434-Q438 WeakPolarHBondContact O-CB 3.33Å; D434-Q438 WeakPolarHBondContact O-CG 3.2Å; D434-Q438 PolarHBondContact O-N 3.28Å; D434-Q438 PolarHBondContact O-NE2 3.25Å; E436-Q438 PolarHBondContact O-N 3.19Å
439	T	92.6	Very high	93.2	Very high	69 Å²	69	79.6 Å²	79.6	42%	0.423	40%	0.402	S	S	.	.	H	α-helix	trans	-90.7	-44.1	174.2	-59.5	0	0	0	0	110.9	Q435 E436 E437 L441 R442	Q435-T439 WeakPolarHBondContact O-CB 3.34Å; Q435-T439 PolarHBondContact O-N 2.82Å; Q435-T439 VanDerWaalsContact O-N 3.16Å; Q435-T439 PolarHBondContact O-OG1 2.9Å; E436-T439 WeakPolarHBondContact O-CA 3.36Å; E436-T439 WeakPolarHBondContact O-CB 3.47Å; E436-T439 PolarHBondContact O-N 3.44Å; E437-T439 PolarHBondContact O-N 3.41Å; E437-T439 VanDerWaalsContact O-N 3.09Å; T439-L441 PolarHBondContact O-N 3.5Å; T439-R442 WeakPolarHBondContact O-CB 3.21Å; T439-R442 PolarHBondContact O-N 2.88Å; T439-R442 VanDerWaalsContact O-N 3.1Å; T439-R442 PolarHBondContact OG1-NH2 3.39Å
440	A	93.1	Very high	93.3	Very high	14 Å²	14	79.4 Å²	79.4	12%	0.116	40%	0.395	C	S	.	.	H	α-helix	trans	-57.9	-48.1	172	0	0	0	0	0	112.6	E436 E437 R442 C443 L528 W531	E436-A440 PolarHBondContact O-N 3.43Å; E437-A440 PolarHBondContact O-N 3.36Å; A440-R442 PolarHBondContact O-N 2.84Å; A440-C443 PolarHBondContact O-N 3Å; A440-L528 HydrophobicContact CB-CD1 4.05Å; A440-W531 HydrophobicContact CB-CZ3 3.92Å
441	L	95.3	Very high	93.3	Very high	71 Å²	71	74 Å²	74	37%	0.372	38%	0.376	S	S	.	.	H	α-helix	trans	-65.3	-16.7	176.7	-68.6	176.8	0	0	0	113.5	E437 T439 K445	E437-L441 HydrophobicContact CG-CD1 3.84Å; E437-L441 HydrophobicContact CG-CG 4.2Å; E437-L441 WeakPolarHBondContact O-CB 3.41Å; E437-L441 WeakPolarHBondContact O-CG 3.39Å; E437-L441 PolarHBondContact O-N 3.43Å; T439-L441 PolarHBondContact O-N 3.5Å; L441-K445 WeakPolarHBondContact O-CG 3.32Å; L441-K445 PolarHBondContact O-N 2.75Å
442	R	94.6	Very high	93.1	Very high	123 Å²	123	73.7 Å²	73.7	46%	0.464	38%	0.377	S	S	.	.	H	α-helix	trans	-72	-40.9	175.5	-157.5	-173.9	-54.5	135.8	18.8	111.1	T439 A440 V444 K445 E446	T439-R442 WeakPolarHBondContact O-CB 3.21Å; T439-R442 PolarHBondContact O-N 2.88Å; T439-R442 VanDerWaalsContact O-N 3.1Å; T439-R442 PolarHBondContact OG1-NH2 3.39Å; A440-R442 PolarHBondContact O-N 2.84Å; R442-V444 PolarHBondContact O-N 2.94Å; R442-K445 PolarHBondContact O-N 3.35Å; R442-K445 VanDerWaalsContact O-N 3.1Å; R442-E446 WeakPolarHBondContact CD-OE1 3.32Å; R442-E446 HydrophobicContact CG-CG 4.42Å; R442-E446 WeakPolarHBondContact CG-OE1 3.34Å; R442-E446 WeakPolarHBondContact O-CB 3.42Å; R442-E446 VanDerWaalsContact O-CG 3.29Å; R442-E446 WeakPolarHBondContact O-CG 3.27Å; R442-E446 PolarHBondContact O-N 2.81Å
443	C	92.1	Very high	93.1	Very high	39 Å²	39	71.7 Å²	71.7	26%	0.264	36%	0.362	S	S	.	.	H	α-helix	trans	-59.4	-37	176.8	-59.3	0	0	0	0	112	A440 E447 L528	A440-C443 PolarHBondContact O-N 3Å; C443-E447 WeakPolarHBondContact O-CB 3.35Å; C443-E447 PolarHBondContact O-N 3Å; C443-L528 HydrophobicContact CB-CD2 4.25Å
444	V	94.6	Very high	93	Very high	60 Å²	60	69.1 Å²	69.1	36%	0.364	35%	0.351	S	S	.	.	H	α-helix	trans	-67	-45.9	173.8	-174.2	0	0	0	0	111.3	R442 E447 E448 L525 L528	R442-V444 PolarHBondContact O-N 2.94Å; V444-E447 WeakPolarHBondContact O-CB 3.47Å; V444-E447 PolarHBondContact O-N 3.36Å; V444-E448 WeakPolarHBondContact O-CB 3.36Å; V444-E448 PolarHBondContact O-N 3.04Å; V444-L525 HydrophobicContact CG2-CD2 4.38Å; V444-L528 HydrophobicContact CG2-CD2 3.61Å
445	K	94.5	Very high	92.7	Very high	120 Å²	120	68 Å²	68	52%	0.522	35%	0.345	S	S	.	.	H	α-helix	trans	-68.8	-34	-179.1	-72.9	169	-177.7	171.2	0	113.8	L441 R442 E447 S449	L441-K445 WeakPolarHBondContact O-CG 3.32Å; L441-K445 PolarHBondContact O-N 2.75Å; R442-K445 PolarHBondContact O-N 3.35Å; R442-K445 VanDerWaalsContact O-N 3.1Å; K445-E447 VanDerWaalsContact C-N 3.34Å; K445-S449 VanDerWaalsContact O-CB 3.25Å; K445-S449 WeakPolarHBondContact O-CB 3.38Å; K445-S449 PolarHBondContact O-N 3.48Å; K445-S449 PolarHBondContact O-OG 3.21Å
446	E	93.2	Very high	92.5	Very high	86 Å²	86	70 Å²	70	40%	0.402	36%	0.355	S	S	.	.	H	α-helix	trans	-62.9	-43.7	171.5	-73.8	162.7	-167.3	0	0	110.6	R442 S449 R450 R524	R442-E446 WeakPolarHBondContact CD-OE1 3.32Å; R442-E446 HydrophobicContact CG-CG 4.42Å; R442-E446 WeakPolarHBondContact CG-OE1 3.34Å; R442-E446 WeakPolarHBondContact O-CB 3.42Å; R442-E446 VanDerWaalsContact O-CG 3.29Å; R442-E446 WeakPolarHBondContact O-CG 3.27Å; R442-E446 PolarHBondContact O-N 2.81Å; E446-S449 PolarHBondContact O-N 2.98Å; E446-R450 WeakPolarHBondContact O-CB 2.94Å; E446-R450 PolarHBondContact O-N 2.86Å; E446-R524 IonicContact OE2-CZ 2.61Å; E446-R524 IonicContact OE2-NH2 2.68Å; E446-R524 PolarHBondContact OE2-NH2 2.83Å
447	E	92.4	Very high	92.4	Very high	7 Å²	7	74.4 Å²	74.4	3%	0.033	37%	0.373	C	S	.	.	H	α-helix	trans	-69.2	-43.1	179.5	-171.5	59.3	-163.2	0	0	112.4	C443 V444 K445 R450 V451 V520 D521 R524	C443-E447 WeakPolarHBondContact O-CB 3.35Å; C443-E447 PolarHBondContact O-N 3Å; V444-E447 WeakPolarHBondContact O-CB 3.47Å; V444-E447 PolarHBondContact O-N 3.36Å; K445-E447 VanDerWaalsContact C-N 3.34Å; E447-R450 PolarHBondContact O-N 3.22Å; E447-R450 IonicContact OE1-CZ 3.83Å; E447-R450 IonicContact OE1-NE 3.37Å; E447-R450 IonicContact OE1-NH2 3.77Å; E447-R450 PolarHBondContact OE1-NH2 2.85Å; E447-R450 IonicContact OE2-CZ 2.68Å; E447-R450 IonicContact OE2-NE 2.73Å; E447-R450 PolarHBondContact OE2-NE 3.03Å; E447-R450 IonicContact OE2-NH2 3.72Å; E447-V451 WeakPolarHBondContact O-CG2 3.39Å; E447-V451 PolarHBondContact O-N 2.72Å; E447-V520 HydrophobicContact CG-CG1 4.41Å; E447-D521 WeakPolarHBondContact OE1-CB 3.23Å; E447-D521 PolarHBondContact OE1-N 3.3Å; E447-R524 IonicContact OE2-NH1 2.76Å; E447-R524 PolarHBondContact OE2-NH1 3.04Å
448	E	92.4	Very high	92.1	Very high	103 Å²	103	71.4 Å²	71.4	48%	0.481	36%	0.358	S	S	.	.	H	α-helix	trans	-55	-50.4	169	179	-176.5	-164.1	0	0	111.1	V444 R450 V451 L452	V444-E448 WeakPolarHBondContact O-CB 3.36Å; V444-E448 PolarHBondContact O-N 3.04Å; E448-R450 VanDerWaalsContact C-N 3.32Å; E448-R450 PolarHBondContact O-N 3.16Å; E448-V451 PolarHBondContact O-N 3.41Å; E448-L452 HydrophobicContact CG-CD1 3.78Å; E448-L452 HydrophobicContact CG-CG 4.42Å; E448-L452 VanDerWaalsContact O-CB 3.26Å; E448-L452 WeakPolarHBondContact O-CB 3.47Å; E448-L452 WeakPolarHBondContact O-CG 3.37Å; E448-L452 PolarHBondContact O-N 3.25Å
449	S	93.2	Very high	91.7	Very high	84 Å²	84	70 Å²	70	59%	0.587	35%	0.354	S	S	*	.	H	α-helix	trans	-64.8	-35	179.9	-58.5	0	0	0	0	112.7	K445 E446 G453	K445-S449 VanDerWaalsContact O-CB 3.25Å; K445-S449 WeakPolarHBondContact O-CB 3.38Å; K445-S449 PolarHBondContact O-N 3.48Å; K445-S449 PolarHBondContact O-OG 3.21Å; E446-S449 PolarHBondContact O-N 2.98Å; S449-G453 WeakPolarHBondContact O-CA 3.46Å; S449-G453 PolarHBondContact O-N 3.37Å; S449-G453 VanDerWaalsContact O-N 3.08Å
450	R	92.1	Very high	91.6	Very high	85 Å²	85	70.8 Å²	70.8	32%	0.321	36%	0.361	S	S	.	.	H	α-helix	trans	-65.8	-56.2	176.6	-177	-179.6	77.2	82.4	-2.6	110.8	E446 E447 E448 G454 E518 E519	E446-R450 WeakPolarHBondContact O-CB 2.94Å; E446-R450 PolarHBondContact O-N 2.86Å; E447-R450 PolarHBondContact O-N 3.22Å; E447-R450 IonicContact OE1-CZ 3.83Å; E447-R450 IonicContact OE1-NE 3.37Å; E447-R450 IonicContact OE1-NH2 3.77Å; E447-R450 PolarHBondContact OE1-NH2 2.85Å; E447-R450 IonicContact OE2-CZ 2.68Å; E447-R450 IonicContact OE2-NE 2.73Å; E447-R450 PolarHBondContact OE2-NE 3.03Å; E447-R450 IonicContact OE2-NH2 3.72Å; E448-R450 VanDerWaalsContact C-N 3.32Å; E448-R450 PolarHBondContact O-N 3.16Å; R450-G454 PolarHBondContact O-N 3Å; R450-E518 WeakPolarHBondContact CD-OE2 3.29Å; R450-E518 WeakPolarHBondContact CG-OE2 3.32Å; R450-E518 IonicContact CZ-OE2 3.49Å; R450-E518 IonicContact NE-OE2 2.59Å; R450-E518 IonicContact NH1-OE2 2.66Å; R450-E518 PolarHBondContact NH1-OE2 2.93Å; R450-E519 PolarHBondContact NH2-O 3.18Å
451	V	92.1	Very high	91.3	Very high	13 Å²	13	75 Å²	75	8%	0.079	38%	0.381	C	S	.	.	H	α-helix	trans	-69.8	-53.3	-175.1	173.1	0	0	0	0	111.5	E447 E448 G454 L455 E518 V520	E447-V451 WeakPolarHBondContact O-CG2 3.39Å; E447-V451 PolarHBondContact O-N 2.72Å; E448-V451 PolarHBondContact O-N 3.41Å; V451-G454 PolarHBondContact O-N 3.04Å; V451-L455 HydrophobicContact CG1-CD1 4.24Å; V451-L455 WeakPolarHBondContact O-CG 3.19Å; V451-L455 PolarHBondContact O-N 2.76Å; V451-E518 WeakPolarHBondContact CG1-O 3.5Å; V451-E518 WeakPolarHBondContact CG2-O 3.46Å; V451-V520 HydrophobicContact CB-CG2 4.5Å; V451-V520 HydrophobicContact CG1-CG2 4.03Å; V451-V520 HydrophobicContact CG2-CG2 4.07Å
452	L	92.4	Very high	90.8	Very high	85 Å²	85	75.5 Å²	75.5	45%	0.445	38%	0.384	S	S	.	.	H	α-helix	trans	-69.1	-45.1	-177.8	-59	-175.6	0	0	0	111.3	E448 G454 L455 E456	E448-L452 HydrophobicContact CG-CD1 3.78Å; E448-L452 HydrophobicContact CG-CG 4.42Å; E448-L452 VanDerWaalsContact O-CB 3.26Å; E448-L452 WeakPolarHBondContact O-CB 3.47Å; E448-L452 WeakPolarHBondContact O-CG 3.37Å; E448-L452 PolarHBondContact O-N 3.25Å; L452-G454 PolarHBondContact O-N 3.06Å; L452-L455 HydrophobicContact CD2-CD1 4.41Å; L452-L455 WeakPolarHBondContact O-CB 3.43Å; L452-L455 PolarHBondContact O-N 3.48Å; L452-L455 VanDerWaalsContact O-N 3.07Å; L452-E456 WeakPolarHBondContact O-CG 3.29Å; L452-E456 PolarHBondContact O-N 3.32Å
453	G	90.1	Very high	90.6	Very high	14 Å²	14	75.8 Å²	75.8	14%	0.144	39%	0.39	C	S	.	.	H	α-helix	trans	-66	-21.8	175.9	0	0	0	0	0	113.6	S449 K457	S449-G453 WeakPolarHBondContact O-CA 3.46Å; S449-G453 PolarHBondContact O-N 3.37Å; S449-G453 VanDerWaalsContact O-N 3.08Å; G453-K457 WeakPolarHBondContact O-CD 3.41Å; G453-K457 VanDerWaalsContact O-CE 3.31Å; G453-K457 WeakPolarHBondContact O-CE 3.47Å; G453-K457 VanDerWaalsContact O-CG 3.23Å; G453-K457 WeakPolarHBondContact O-CG 3.32Å
454	G	88.3	Confident	90.5	Very high	12 Å²	12	76 Å²	76	12%	0.124	40%	0.399	C	S	.	.	H	α-helix	trans	-73.9	-43.4	168.1	0	0	0	0	0	112.6	R450 V451 L452 K458	R450-G454 PolarHBondContact O-N 3Å; V451-G454 PolarHBondContact O-N 3.04Å; L452-G454 PolarHBondContact O-N 3.06Å; G454-K458 PolarHBondContact O-N 3.01Å
455	L	89	Confident	90.1	Very high	62 Å²	62	75.4 Å²	75.4	33%	0.325	40%	0.398	S	S	.	.	H	α-helix	trans	-65.4	-46.4	176	-73.7	168.4	0	0	0	112.4	V451 L452 K457 K458 L459 P517	V451-L455 HydrophobicContact CG1-CD1 4.24Å; V451-L455 WeakPolarHBondContact O-CG 3.19Å; V451-L455 PolarHBondContact O-N 2.76Å; L452-L455 HydrophobicContact CD2-CD1 4.41Å; L452-L455 WeakPolarHBondContact O-CB 3.43Å; L452-L455 PolarHBondContact O-N 3.48Å; L452-L455 VanDerWaalsContact O-N 3.07Å; L455-K457 VanDerWaalsContact C-N 3.31Å; L455-K457 PolarHBondContact O-N 2.78Å; L455-K458 PolarHBondContact O-N 3.45Å; L455-K458 VanDerWaalsContact O-N 3.12Å; L455-L459 WeakPolarHBondContact O-CB 3.5Å; L455-L459 WeakPolarHBondContact O-CG 3.49Å; L455-L459 PolarHBondContact O-N 3.03Å; L455-P517 HydrophobicContact CD2-CB 3.95Å; L455-P517 HydrophobicContact CD2-CG 4.32Å
456	E	90.8	Very high	89.7	Confident	131 Å²	131	74.3 Å²	74.3	61%	0.612	40%	0.397	S	S	*	.	H	α-helix	trans	-56.3	-42.6	178.6	-74.9	175.5	167.8	0	0	112.1	L452 L459 C460	L452-E456 WeakPolarHBondContact O-CG 3.29Å; L452-E456 PolarHBondContact O-N 3.32Å; E456-L459 PolarHBondContact O-N 2.92Å; E456-C460 VanDerWaalsContact O-CB 3.26Å; E456-C460 WeakPolarHBondContact O-CB 3.32Å; E456-C460 PolarHBondContact O-N 3.02Å
457	K	88.4	Confident	89.6	Confident	147 Å²	147	75 Å²	75	64%	0.639	40%	0.4	S	S	*	.	H	α-helix	trans	-62.3	-45.7	175.5	-70.4	165.8	-167.1	164.1	0	111.8	G453 L455 C460 L461	G453-K457 WeakPolarHBondContact O-CD 3.41Å; G453-K457 VanDerWaalsContact O-CE 3.31Å; G453-K457 WeakPolarHBondContact O-CE 3.47Å; G453-K457 VanDerWaalsContact O-CG 3.23Å; G453-K457 WeakPolarHBondContact O-CG 3.32Å; L455-K457 VanDerWaalsContact C-N 3.31Å; L455-K457 PolarHBondContact O-N 2.78Å; K457-C460 PolarHBondContact O-N 2.83Å; K457-L461 WeakPolarHBondContact O-CG 3.27Å; K457-L461 PolarHBondContact O-N 2.81Å; K457-L461 VanDerWaalsContact O-N 3.09Å
458	K	86.1	Confident	89.4	Confident	52 Å²	52	77.2 Å²	77.2	23%	0.226	42%	0.417	C	S	.	.	H	α-helix	trans	-66.2	-40.8	178.7	-68	-178.3	-174.1	-174.9	0	111.6	G454 L455 L461 L462 A515 P516	G454-K458 PolarHBondContact O-N 3.01Å; L455-K458 PolarHBondContact O-N 3.45Å; L455-K458 VanDerWaalsContact O-N 3.12Å; K458-L461 PolarHBondContact O-N 3.36Å; K458-L462 WeakPolarHBondContact O-CB 3.44Å; K458-L462 WeakPolarHBondContact O-CG 3.34Å; K458-L462 PolarHBondContact O-N 2.84Å; K458-A515 PolarHBondContact NZ-O 3.44Å; K458-P516 PolarHBondContact NZ-O 2.8Å
459	L	88.6	Confident	89.1	Confident	93 Å²	93	73.8 Å²	73.8	49%	0.487	40%	0.401	S	S	.	.	H	α-helix	trans	-62.9	-45.7	174.7	-73	170.4	0	0	0	111.9	L455 E456 L461 L462 Q463	L455-L459 WeakPolarHBondContact O-CB 3.5Å; L455-L459 WeakPolarHBondContact O-CG 3.49Å; L455-L459 PolarHBondContact O-N 3.03Å; E456-L459 PolarHBondContact O-N 2.92Å; L459-L461 PolarHBondContact O-N 3.38Å; L459-L462 PolarHBondContact O-N 2.84Å; L459-Q463 VanDerWaalsContact O-CB 3.31Å; L459-Q463 WeakPolarHBondContact O-CB 3.47Å; L459-Q463 VanDerWaalsContact O-CG 3.24Å; L459-Q463 WeakPolarHBondContact O-CG 3.29Å; L459-Q463 PolarHBondContact O-N 2.87Å
460	C	90.3	Very high	88.9	Confident	85 Å²	85	74.6 Å²	74.6	57%	0.574	40%	0.396	S	S	*	.	H	α-helix	trans	-60.2	-43.9	178	-175.4	0	0	0	0	112	E456 K457 G464	E456-C460 VanDerWaalsContact O-CB 3.26Å; E456-C460 WeakPolarHBondContact O-CB 3.32Å; E456-C460 PolarHBondContact O-N 3.02Å; K457-C460 PolarHBondContact O-N 2.83Å; C460-G464 PolarHBondContact O-N 3.42Å
461	L	87.2	Confident	88.8	Confident	104 Å²	104	74.9 Å²	74.9	55%	0.545	40%	0.404	S	S	.	.	H	α-helix	trans	-60.5	-51.5	174.5	-71.3	169.3	0	0	0	111.8	K457 K458 L459 Q463 G464 S465 F514	K457-L461 WeakPolarHBondContact O-CG 3.27Å; K457-L461 PolarHBondContact O-N 2.81Å; K457-L461 VanDerWaalsContact O-N 3.09Å; K458-L461 PolarHBondContact O-N 3.36Å; L459-L461 PolarHBondContact O-N 3.38Å; L461-Q463 PolarHBondContact O-N 2.69Å; L461-G464 PolarHBondContact O-N 3.25Å; L461-S465 PolarHBondContact O-N 3.34Å; L461-S465 PolarHBondContact O-OG 3.12Å; L461-F514 HydrophobicContact CD1-CE1 4.42Å
462	L	85.6	Confident	88.6	Confident	81 Å²	81	74.5 Å²	74.5	42%	0.424	40%	0.403	S	S	.	.	H	α-helix	trans	-62.5	-40.5	-179.5	-73.8	169.9	0	0	0	112.5	K458 L459 L466 F514	K458-L462 WeakPolarHBondContact O-CB 3.44Å; K458-L462 WeakPolarHBondContact O-CG 3.34Å; K458-L462 PolarHBondContact O-N 2.84Å; L459-L462 PolarHBondContact O-N 2.84Å; L462-L466 VanDerWaalsContact O-CB 3.23Å; L462-L466 WeakPolarHBondContact O-CB 3.35Å; L462-L466 PolarHBondContact O-N 2.85Å; L462-F514 HydrophobicContact CD2-CD2 4.31Å; L462-F514 HydrophobicContact CD2-CE2 3.54Å; L462-F514 HydrophobicContact CD2-CZ 4.03Å; L462-F514 HydrophobicContact CG-CE2 4.15Å; L462-F514 HydrophobicContact CG-CZ 4.24Å
463	Q	90.1	Very high	88.4	Confident	128 Å²	128	74.4 Å²	74.4	60%	0.598	40%	0.402	S	S	*	.	H	α-helix	trans	-65.7	-41.4	175.6	-73.8	171.8	-11.9	0	0	111.7	L459 L461 L466 Q467	L459-Q463 VanDerWaalsContact O-CB 3.31Å; L459-Q463 WeakPolarHBondContact O-CB 3.47Å; L459-Q463 VanDerWaalsContact O-CG 3.24Å; L459-Q463 WeakPolarHBondContact O-CG 3.29Å; L459-Q463 PolarHBondContact O-N 2.87Å; L461-Q463 PolarHBondContact O-N 2.69Å; Q463-L466 PolarHBondContact O-N 3.01Å; Q463-Q467 WeakPolarHBondContact O-CB 3.4Å; Q463-Q467 PolarHBondContact O-N 3.25Å
464	G	88.6	Confident	88.3	Confident	43 Å²	43	80 Å²	80	44%	0.443	42%	0.424	S	S	.	.	H	α-helix	trans	-61.7	-47.3	174.9	0	0	0	0	0	112.7	C460 L461 Q467 S468	C460-G464 PolarHBondContact O-N 3.42Å; L461-G464 PolarHBondContact O-N 3.25Å; G464-Q467 PolarHBondContact O-N 2.96Å; G464-S468 WeakPolarHBondContact O-CB 3.34Å; G464-S468 PolarHBondContact O-N 2.87Å
465	S	85.8	Confident	88.2	Confident	49 Å²	49	82.6 Å²	82.6	34%	0.343	44%	0.437	S	S	.	.	H	α-helix	trans	-61.2	-44.2	174.8	-65.9	0	0	0	0	112.4	L461 S468 I469	L461-S465 PolarHBondContact O-N 3.34Å; L461-S465 PolarHBondContact O-OG 3.12Å; S465-S468 PolarHBondContact O-N 2.88Å; S465-I469 WeakPolarHBondContact O-CG1 3.11Å; S465-I469 PolarHBondContact O-N 3.18Å
466	L	87	Confident	88.1	Confident	97 Å²	97	80.5 Å²	80.5	51%	0.508	43%	0.427	S	S	.	.	H	α-helix	trans	-64.5	-43.7	179	-179.8	145.3	0	0	0	111.8	L462 Q463 S468 I469 Q470	L462-L466 VanDerWaalsContact O-CB 3.23Å; L462-L466 WeakPolarHBondContact O-CB 3.35Å; L462-L466 PolarHBondContact O-N 2.85Å; Q463-L466 PolarHBondContact O-N 3.01Å; L466-S468 VanDerWaalsContact C-N 3.32Å; L466-S468 PolarHBondContact O-N 2.97Å; L466-I469 PolarHBondContact O-N 2.94Å; L466-Q470 HydrophobicContact CD2-CG 4.35Å; L466-Q470 WeakPolarHBondContact O-CB 3.5Å; L466-Q470 WeakPolarHBondContact O-CG 3.22Å; L466-Q470 PolarHBondContact O-N 3.42Å
467	Q	90.5	Very high	87.9	Confident	99 Å²	99	79.9 Å²	79.9	46%	0.463	42%	0.424	S	S	.	.	H	α-helix	trans	-64.3	-37.7	175.1	-170.2	68.3	69	0	0	111.6	Q463 G464 Q470 N471	Q463-Q467 WeakPolarHBondContact O-CB 3.4Å; Q463-Q467 PolarHBondContact O-N 3.25Å; G464-Q467 PolarHBondContact O-N 2.96Å; Q467-Q470 PolarHBondContact O-N 2.97Å; Q467-N471 PolarHBondContact NE2-OD1 3.11Å; Q467-N471 WeakPolarHBondContact O-CB 3.38Å; Q467-N471 PolarHBondContact O-N 2.94Å; Q467-N471 PolarHBondContact O-OD1 3.17Å
468	S	88.8	Confident	87.7	Confident	55 Å²	55	75 Å²	75	39%	0.385	42%	0.415	S	S	.	.	H	α-helix	trans	-64.1	-44.1	176.6	-170.2	0	0	0	0	111.8	G464 S465 L466 G472	G464-S468 WeakPolarHBondContact O-CB 3.34Å; G464-S468 PolarHBondContact O-N 2.87Å; S465-S468 PolarHBondContact O-N 2.88Å; L466-S468 VanDerWaalsContact C-N 3.32Å; L466-S468 PolarHBondContact O-N 2.97Å; S468-G472 PolarHBondContact O-N 3.19Å
469	I	86.1	Confident	87.6	Confident	30 Å²	30	74.4 Å²	74.4	15%	0.154	41%	0.414	C	S	.	.	H	α-helix	trans	-63.8	-46.2	174.3	-70.5	168.1	0	0	0	111.2	S465 L466 N471 G472 L473 T504 V507	S465-I469 WeakPolarHBondContact O-CG1 3.11Å; S465-I469 PolarHBondContact O-N 3.18Å; L466-I469 PolarHBondContact O-N 2.94Å; I469-N471 PolarHBondContact O-N 2.87Å; I469-G472 PolarHBondContact O-N 2.8Å; I469-L473 HydrophobicContact CG2-CD1 3.83Å; I469-L473 HydrophobicContact CG2-CG 4.29Å; I469-L473 WeakPolarHBondContact O-CB 3.09Å; I469-L473 WeakPolarHBondContact O-CG 3.39Å; I469-L473 PolarHBondContact O-N 3.34Å; I469-T504 HydrophobicContact CD1-CG2 4.15Å; I469-T504 HydrophobicContact CG1-CG2 4.37Å; I469-V507 HydrophobicContact CD1-CB 4.09Å; I469-V507 HydrophobicContact CD1-CG1 4.15Å; I469-V507 HydrophobicContact CD1-CG2 3.91Å
470	Q	89.3	Confident	87.1	Confident	101 Å²	101	73.2 Å²	73.2	47%	0.472	42%	0.418	S	S	.	.	H	α-helix	trans	-61.3	-45.1	178.5	-76.5	179.5	-22.9	0	0	112.5	L466 Q467 G472 L473 H474	L466-Q470 HydrophobicContact CD2-CG 4.35Å; L466-Q470 WeakPolarHBondContact O-CB 3.5Å; L466-Q470 WeakPolarHBondContact O-CG 3.22Å; L466-Q470 PolarHBondContact O-N 3.42Å; Q467-Q470 PolarHBondContact O-N 2.97Å; Q470-G472 VanDerWaalsContact C-N 3.34Å; Q470-G472 PolarHBondContact O-N 2.67Å; Q470-L473 PolarHBondContact O-N 3.01Å; Q470-H474 WeakPolarHBondContact O-CB 3.41Å; Q470-H474 PolarHBondContact O-N 2.97Å
471	N	89.9	Confident	86.3	Confident	91 Å²	91	75.7 Å²	75.7	49%	0.487	43%	0.425	S	S	.	.	H	α-helix	trans	-61.7	-44.2	176.5	-69.2	-0.5	0	0	0	111	Q467 I469 H474 V475	Q467-N471 PolarHBondContact NE2-OD1 3.11Å; Q467-N471 WeakPolarHBondContact O-CB 3.38Å; Q467-N471 PolarHBondContact O-N 2.94Å; Q467-N471 PolarHBondContact O-OD1 3.17Å; I469-N471 PolarHBondContact O-N 2.87Å; N471-H474 PolarHBondContact O-N 3.15Å; N471-V475 WeakPolarHBondContact O-CG2 3.44Å; N471-V475 PolarHBondContact O-N 2.96Å
472	G	87.8	Confident	85.5	Confident	6 Å²	6	72.9 Å²	72.9	6%	0.062	42%	0.417	C	S	.	.	H	α-helix	trans	-62.7	-47.2	177.6	0	0	0	0	0	112.8	S468 I469 Q470 H474 V475 L476 I500	S468-G472 PolarHBondContact O-N 3.19Å; I469-G472 PolarHBondContact O-N 2.8Å; Q470-G472 VanDerWaalsContact C-N 3.34Å; Q470-G472 PolarHBondContact O-N 2.67Å; G472-H474 VanDerWaalsContact C-N 3.3Å; G472-H474 PolarHBondContact O-N 2.78Å; G472-V475 PolarHBondContact O-N 2.76Å; G472-V475 VanDerWaalsContact O-N 3.15Å; G472-L476 PolarHBondContact O-N 2.71Å; G472-I500 VanDerWaalsContact CA-CD1 3.44Å; G472-I500 WeakPolarHBondContact O-CD1 3.47Å
473	L	87.3	Confident	84.3	Confident	82 Å²	82	81 Å²	81	43%	0.429	44%	0.442	S	S	.	.	H	α-helix	trans	-57.8	-43.6	176.3	-73.8	171.6	0	0	0	111.4	I469 Q470 V475 L476 E477 I500	I469-L473 HydrophobicContact CG2-CD1 3.83Å; I469-L473 HydrophobicContact CG2-CG 4.29Å; I469-L473 WeakPolarHBondContact O-CB 3.09Å; I469-L473 WeakPolarHBondContact O-CG 3.39Å; I469-L473 PolarHBondContact O-N 3.34Å; Q470-L473 PolarHBondContact O-N 3.01Å; L473-V475 VanDerWaalsContact C-N 3.32Å; L473-V475 PolarHBondContact O-N 2.92Å; L473-L476 WeakPolarHBondContact O-CB 3.17Å; L473-L476 PolarHBondContact O-N 3.23Å; L473-L476 VanDerWaalsContact O-N 3.13Å; L473-E477 WeakPolarHBondContact O-CG 3.48Å; L473-E477 PolarHBondContact O-N 3.03Å; L473-I500 HydrophobicContact CD2-CG2 4.48Å
474	H	88.4	Confident	82.8	Confident	131 Å²	131	77.5 Å²	77.5	61%	0.606	44%	0.435	S	S	*	.	H	α-helix	trans	-64.6	-34.8	177.5	-169.5	49.7	0	0	0	113.2	Q470 N471 G472 E477 G478	Q470-H474 WeakPolarHBondContact O-CB 3.41Å; Q470-H474 PolarHBondContact O-N 2.97Å; N471-H474 PolarHBondContact O-N 3.15Å; G472-H474 VanDerWaalsContact C-N 3.3Å; G472-H474 PolarHBondContact O-N 2.78Å; H474-E477 IonicContact ND1-OE2 3.54Å; H474-G478 PolarHBondContact O-N 3.36Å
475	V	87.7	Confident	81.5	Confident	67 Å²	67	84 Å²	84	41%	0.406	46%	0.46	S	S	.	.	H	α-helix	trans	-68.9	-38.7	172.1	174.7	0	0	0	0	111.2	N471 G472 L473 G478 L479 E496	N471-V475 WeakPolarHBondContact O-CG2 3.44Å; N471-V475 PolarHBondContact O-N 2.96Å; G472-V475 PolarHBondContact O-N 2.76Å; G472-V475 VanDerWaalsContact O-N 3.15Å; L473-V475 VanDerWaalsContact C-N 3.32Å; L473-V475 PolarHBondContact O-N 2.92Å; V475-G478 PolarHBondContact O-N 3.22Å; V475-L479 HydrophobicContact CG1-CD1 3.86Å; V475-L479 HydrophobicContact CG1-CG 4.32Å; V475-L479 WeakPolarHBondContact O-CB 3.41Å; V475-L479 VanDerWaalsContact O-CG 3.25Å; V475-L479 WeakPolarHBondContact O-CG 3.25Å; V475-L479 PolarHBondContact O-N 3.49Å; V475-E496 HydrophobicContact CB-CG 4.35Å; V475-E496 HydrophobicContact CG1-CG 3.92Å
476	L	85.7	Confident	80.6	Confident	19 Å²	19	85 Å²	85	10%	0.099	46%	0.464	C	S	.	.	H	α-helix	trans	-63.6	-45.1	173.9	-80.2	179.9	0	0	0	112.8	G472 L473 L479 A480 F493 E496 Y497 I500	G472-L476 PolarHBondContact O-N 2.71Å; L473-L476 WeakPolarHBondContact O-CB 3.17Å; L473-L476 PolarHBondContact O-N 3.23Å; L473-L476 VanDerWaalsContact O-N 3.13Å; L476-L479 PolarHBondContact O-N 3.19Å; L476-A480 VanDerWaalsContact O-CB 3.3Å; L476-A480 WeakPolarHBondContact O-CB 3.34Å; L476-A480 PolarHBondContact O-N 3.26Å; L476-F493 HydrophobicContact CD2-CD2 3.69Å; L476-F493 HydrophobicContact CD2-CE2 3.66Å; L476-F493 HydrophobicContact CD2-CG 4.36Å; L476-F493 HydrophobicContact CD2-CZ 4.31Å; L476-E496 HydrophobicContact CD2-CB 3.87Å; L476-E496 HydrophobicContact CD2-CG 4.02Å; L476-E496 HydrophobicContact CG-CB 4.45Å; L476-E496 HydrophobicContact CG-CG 4.07Å; L476-Y497 HydrophobicContact CD1-CD2 4.21Å; L476-I500 HydrophobicContact CD1-CD1 3.42Å; L476-I500 VanDerWaalsContact CD1-CD1 3.42Å; L476-I500 HydrophobicContact CG-CD1 3.58Å
477	E	86.3	Confident	79.9	Confident	117 Å²	117	91 Å²	91	55%	0.547	48%	0.48	S	S	.	.	H	α-helix	trans	-56.3	-51.7	174.9	-71.3	167.4	168.1	0	0	110.2	L473 H474 L479 A480 D481	L473-E477 WeakPolarHBondContact O-CG 3.48Å; L473-E477 PolarHBondContact O-N 3.03Å; H474-E477 IonicContact ND1-OE2 3.54Å; E477-L479 VanDerWaalsContact C-N 3.33Å; E477-L479 PolarHBondContact O-N 3.31Å; E477-A480 PolarHBondContact O-N 2.77Å; E477-D481 PolarHBondContact O-N 2.93Å
478	G	85.1	Confident	79.1	Confident	44 Å²	44	91.6 Å²	91.6	45%	0.454	49%	0.49	S	S	.	.	H	α-helix	trans	-62.3	-33.6	177.5	0	0	0	0	0	114.4	H474 V475 A482	H474-G478 PolarHBondContact O-N 3.36Å; V475-G478 PolarHBondContact O-N 3.22Å; G478-A482 WeakPolarHBondContact O-CB 3.38Å; G478-A482 PolarHBondContact O-N 3.05Å
479	L	83.4	Confident	78.5	Confident	41 Å²	41	91 Å²	91	22%	0.215	48%	0.481	C	S	.	.	H	α-helix	trans	-74.8	-31.9	175.1	-75.3	171.5	0	0	0	112.8	V475 L476 E477 Q489 A492 F493 E496	V475-L479 HydrophobicContact CG1-CD1 3.86Å; V475-L479 HydrophobicContact CG1-CG 4.32Å; V475-L479 WeakPolarHBondContact O-CB 3.41Å; V475-L479 VanDerWaalsContact O-CG 3.25Å; V475-L479 WeakPolarHBondContact O-CG 3.25Å; V475-L479 PolarHBondContact O-N 3.49Å; L476-L479 PolarHBondContact O-N 3.19Å; E477-L479 VanDerWaalsContact C-N 3.33Å; E477-L479 PolarHBondContact O-N 3.31Å; L479-Q489 HydrophobicContact CD2-CG 4.07Å; L479-Q489 PolarHBondContact O-NE2 2.83Å; L479-A492 HydrophobicContact CD1-CB 4.43Å; L479-A492 HydrophobicContact CD2-CB 4.44Å; L479-F493 HydrophobicContact CB-CB 4.48Å; L479-F493 HydrophobicContact CB-CD2 4.14Å; L479-E496 HydrophobicContact CD1-CB 4.32Å
480	A	77.4	Confident	78.2	Confident	68 Å²	68	94.2 Å²	94.2	56%	0.562	50%	0.498	S	S	*	.	H	α-helix	trans	-78.7	-38.5	-179.7	0	0	0	0	0	113.1	L476 E477 A482 F493	L476-A480 VanDerWaalsContact O-CB 3.3Å; L476-A480 WeakPolarHBondContact O-CB 3.34Å; L476-A480 PolarHBondContact O-N 3.26Å; E477-A480 PolarHBondContact O-N 2.77Å; A480-A482 VanDerWaalsContact C-N 3.34Å; A480-F493 HydrophobicContact CB-CE2 4.15Å
481	D	75.1	Confident	77.9	Confident	136 Å²	136	95.1 Å²	95.1	73%	0.727	50%	0.503	S	S	*	.	H	α-helix	trans	-76.3	-20.7	177.8	-83.3	-26.1	0	0	0	113.2	E477 R483	E477-D481 PolarHBondContact O-N 2.93Å; D481-R483 PolarHBondContact O-N 3.08Å
482	A	70	Confident	77.6	Confident	46 Å²	46	92.6 Å²	92.6	38%	0.38	50%	0.495	S	S	.	.			trans	-75.4	88.7	-175.7	0	0	0	0	0	112.8	G478 A480 A484 Q489	G478-A482 WeakPolarHBondContact O-CB 3.38Å; G478-A482 PolarHBondContact O-N 3.05Å; A480-A482 VanDerWaalsContact C-N 3.34Å; A482-A484 PolarHBondContact O-N 3.21Å; A482-Q489 VanDerWaalsContact CB-NE2 3.3Å; A482-Q489 PolarHBondContact O-NE2 3.29Å
483	R	60.6	Low	77.5	Confident	252 Å²	252	95.9 Å²	95.9	95%	0.951	51%	0.507	S	S	*	.			trans	-64.3	83.5	178.3	-55.9	-177.5	-169.8	-153.7	0.4	113.5	D481	D481-R483 PolarHBondContact O-N 3.08Å
484	A	57.9	Low	77.5	Confident	54 Å²	54	97 Å²	97	45%	0.446	51%	0.512	S	S	.	.			trans	-147.1	118.5	171	0	0	0	0	0	111.7	A482 T486	A482-A484 PolarHBondContact O-N 3.21Å; A484-T486 VanDerWaalsContact C-N 3.27Å; A484-T486 PolarHBondContact O-N 2.95Å
485	D	60.6	Low	77.4	Confident	180 Å²	180	95.8 Å²	95.8	96%	0.963	51%	0.508	S	S	*	.			trans	-69.9	75.7	178.1	-63.4	-75	0	0	0	112
486	T	68	Low	77.3	Confident	70 Å²	70	94.1 Å²	94.1	43%	0.429	50%	0.496	S	S	.	.			trans	-126.4	122.4	170.4	67	0	0	0	0	111.9	A484 V488 Q489 D490	A484-T486 VanDerWaalsContact C-N 3.27Å; A484-T486 PolarHBondContact O-N 2.95Å; T486-V488 PolarHBondContact O-N 3.45Å; T486-Q489 WeakPolarHBondContact O-CA 3.39Å; T486-Q489 WeakPolarHBondContact O-CB 3.3Å; T486-Q489 PolarHBondContact O-N 3.45Å; T486-Q489 WeakPolarHBondContact OG1-CB 3.2Å; T486-D490 PolarHBondContact O-N 2.88Å
487	R	71.2	Confident	77.3	Confident	222 Å²	222	99.8 Å²	99.8	84%	0.838	52%	0.517	S	S	*	.	H	α-helix	trans	-56.2	-18.1	-179	-155.8	178.3	-174.9	-161.8	1.3	114.7	D490 Q491	R487-D490 WeakPolarHBondContact CA-OD2 3.42Å; R487-Q491 PolarHBondContact O-N 3.31Å
488	V	74.8	Confident	77.4	Confident	111 Å²	111	96.9 Å²	96.9	67%	0.673	51%	0.51	S	S	*	.	H	α-helix	trans	-77.7	-34.3	175.1	-178.9	0	0	0	0	111.2	T486 Q491 A492	T486-V488 PolarHBondContact O-N 3.45Å; V488-Q491 PolarHBondContact O-N 2.83Å; V488-A492 WeakPolarHBondContact O-CB 3.42Å; V488-A492 PolarHBondContact O-N 2.67Å
489	Q	75.3	Confident	77.5	Confident	42 Å²	42	100 Å²	100	20%	0.196	51%	0.508	C	S	.	.	H	α-helix	trans	-75.6	-39.4	-179.9	-167.8	176.7	-31	0	0	111.4	L479 A482 T486 Q491 A492 F493	L479-Q489 HydrophobicContact CD2-CG 4.07Å; L479-Q489 PolarHBondContact O-NE2 2.83Å; A482-Q489 VanDerWaalsContact CB-NE2 3.3Å; A482-Q489 PolarHBondContact O-NE2 3.29Å; T486-Q489 WeakPolarHBondContact O-CA 3.39Å; T486-Q489 WeakPolarHBondContact O-CB 3.3Å; T486-Q489 PolarHBondContact O-N 3.45Å; T486-Q489 WeakPolarHBondContact OG1-CB 3.2Å; Q489-Q491 VanDerWaalsContact C-N 3.28Å; Q489-Q491 PolarHBondContact O-N 3.22Å; Q489-A492 PolarHBondContact O-N 3.47Å; Q489-F493 PolarHBondContact O-N 2.79Å
490	D	81.2	Confident	77.6	Confident	98 Å²	98	98.6 Å²	98.6	52%	0.524	50%	0.5	S	S	.	.	H	α-helix	trans	-55.1	-46.5	167.9	-57.1	-45.2	0	0	0	111	T486 R487 F493 I494	T486-D490 PolarHBondContact O-N 2.88Å; R487-D490 WeakPolarHBondContact CA-OD2 3.42Å; D490-F493 PolarHBondContact O-N 2.93Å; D490-I494 VanDerWaalsContact O-CG1 3.27Å; D490-I494 WeakPolarHBondContact O-CG1 3.37Å; D490-I494 PolarHBondContact O-N 2.76Å
491	Q	82.4	Confident	77.9	Confident	121 Å²	121	98.1 Å²	98.1	57%	0.565	49%	0.493	S	S	*	.	H	α-helix	trans	-66	-38.8	178.9	-175.3	174.6	-13.3	0	0	111.9	R487 V488 Q489 I494 M495	R487-Q491 PolarHBondContact O-N 3.31Å; V488-Q491 PolarHBondContact O-N 2.83Å; Q489-Q491 VanDerWaalsContact C-N 3.28Å; Q489-Q491 PolarHBondContact O-N 3.22Å; Q491-I494 PolarHBondContact O-N 3.37Å; Q491-M495 HydrophobicContact CG-SD 4.29Å; Q491-M495 WeakPolarHBondContact O-CB 3.39Å; Q491-M495 VanDerWaalsContact O-CG 3.29Å; Q491-M495 WeakPolarHBondContact O-CG 3.3Å; Q491-M495 PolarHBondContact O-N 2.76Å
492	A	83.7	Confident	78.3	Confident	38 Å²	38	97.7 Å²	97.7	31%	0.314	49%	0.486	S	S	.	.	H	α-helix	trans	-63	-45.6	174.1	0	0	0	0	0	111.7	L479 V488 Q489 M495 E496	L479-A492 HydrophobicContact CD1-CB 4.43Å; L479-A492 HydrophobicContact CD2-CB 4.44Å; V488-A492 WeakPolarHBondContact O-CB 3.42Å; V488-A492 PolarHBondContact O-N 2.67Å; Q489-A492 PolarHBondContact O-N 3.47Å; A492-M495 PolarHBondContact O-N 2.98Å; A492-E496 WeakPolarHBondContact O-CB 3.36Å; A492-E496 PolarHBondContact O-N 3.38Å
493	F	86.4	Confident	78.7	Confident	75 Å²	75	97.6 Å²	97.6	33%	0.329	48%	0.479	S	S	.	.	H	α-helix	trans	-59.5	-47	175	178.2	-89.2	0	0	0	111.6	L476 L479 A480 Q489 D490 M495 E496 Y497	L476-F493 HydrophobicContact CD2-CD2 3.69Å; L476-F493 HydrophobicContact CD2-CE2 3.66Å; L476-F493 HydrophobicContact CD2-CG 4.36Å; L476-F493 HydrophobicContact CD2-CZ 4.31Å; L479-F493 HydrophobicContact CB-CB 4.48Å; L479-F493 HydrophobicContact CB-CD2 4.14Å; A480-F493 HydrophobicContact CB-CE2 4.15Å; Q489-F493 PolarHBondContact O-N 2.79Å; D490-F493 PolarHBondContact O-N 2.93Å; F493-M495 VanDerWaalsContact C-N 3.33Å; F493-M495 PolarHBondContact O-N 2.81Å; F493-E496 PolarHBondContact O-N 2.87Å; F493-Y497 WeakPolarHBondContact O-CB 3.45Å; F493-Y497 PolarHBondContact O-N 2.78Å
494	I	86	Confident	79.4	Confident	104 Å²	104	88.9 Å²	88.9	53%	0.533	45%	0.454	S	S	.	.	H	α-helix	trans	-61.1	-41.1	177.7	-69.4	164.2	0	0	0	111.4	D490 Q491 S498	D490-I494 VanDerWaalsContact O-CG1 3.27Å; D490-I494 WeakPolarHBondContact O-CG1 3.37Å; D490-I494 PolarHBondContact O-N 2.76Å; Q491-I494 PolarHBondContact O-N 3.37Å; I494-S498 VanDerWaalsContact O-CB 3.27Å; I494-S498 WeakPolarHBondContact O-CB 3.32Å; I494-S498 PolarHBondContact O-N 2.92Å; I494-S498 PolarHBondContact O-OG 3.15Å
495	M	85.7	Confident	80.3	Confident	106 Å²	106	89.8 Å²	89.8	52%	0.522	46%	0.457	S	S	.	.	H	α-helix	trans	-67.8	-42.7	177.4	-74.6	179.5	65.2	0	0	112.5	Q491 A492 F493 R499	Q491-M495 HydrophobicContact CG-SD 4.29Å; Q491-M495 WeakPolarHBondContact O-CB 3.39Å; Q491-M495 VanDerWaalsContact O-CG 3.29Å; Q491-M495 WeakPolarHBondContact O-CG 3.3Å; Q491-M495 PolarHBondContact O-N 2.76Å; A492-M495 PolarHBondContact O-N 2.98Å; F493-M495 VanDerWaalsContact C-N 3.33Å; F493-M495 PolarHBondContact O-N 2.81Å; M495-R499 WeakPolarHBondContact O-CB 3.35Å; M495-R499 PolarHBondContact O-N 2.81Å
496	E	86.6	Confident	80.7	Confident	33 Å²	33	86.7 Å²	86.7	15%	0.154	44%	0.437	C	S	.	.	H	α-helix	trans	-67	-45	178	-162.6	62.6	-110.5	0	0	111.1	V475 L476 L479 A492 F493 S498 R499 I500	V475-E496 HydrophobicContact CB-CG 4.35Å; V475-E496 HydrophobicContact CG1-CG 3.92Å; L476-E496 HydrophobicContact CD2-CB 3.87Å; L476-E496 HydrophobicContact CD2-CG 4.02Å; L476-E496 HydrophobicContact CG-CB 4.45Å; L476-E496 HydrophobicContact CG-CG 4.07Å; L479-E496 HydrophobicContact CD1-CB 4.32Å; A492-E496 WeakPolarHBondContact O-CB 3.36Å; A492-E496 PolarHBondContact O-N 3.38Å; F493-E496 PolarHBondContact O-N 2.87Å; E496-S498 VanDerWaalsContact C-N 3.34Å; E496-S498 PolarHBondContact O-N 3.41Å; E496-R499 PolarHBondContact O-N 3.38Å; E496-R499 IonicContact OE1-CZ 3.89Å; E496-R499 IonicContact OE1-NH1 2.66Å; E496-R499 PolarHBondContact OE1-NH1 3.27Å; E496-R499 IonicContact OE2-CZ 3.66Å; E496-R499 IonicContact OE2-NH1 3.51Å; E496-R499 PolarHBondContact OE2-NH1 3.19Å; E496-I500 HydrophobicContact CG-CD1 3.78Å; E496-I500 WeakPolarHBondContact O-CD1 3.37Å; E496-I500 WeakPolarHBondContact O-CG1 3.21Å; E496-I500 PolarHBondContact O-N 3.25Å
497	Y	86.3	Confident	80.7	Confident	138 Å²	138	85.4 Å²	85.4	54%	0.541	43%	0.429	S	S	.	.	H	α-helix	trans	-61.8	-42.7	177.2	-178.4	-90.7	0	0	0	111.4	L476 F493 I500 S501	L476-Y497 HydrophobicContact CD1-CD2 4.21Å; F493-Y497 WeakPolarHBondContact O-CB 3.45Å; F493-Y497 PolarHBondContact O-N 2.78Å; Y497-I500 PolarHBondContact O-N 3.41Å; Y497-S501 WeakPolarHBondContact O-CB 3.47Å; Y497-S501 PolarHBondContact O-N 2.81Å
498	S	87.6	Confident	80.4	Confident	55 Å²	55	77.3 Å²	77.3	39%	0.385	41%	0.414	S	S	.	.	H	α-helix	trans	-63.3	-42.6	175.8	-58.9	0	0	0	0	111.7	I494 E496 Q502	I494-S498 VanDerWaalsContact O-CB 3.27Å; I494-S498 WeakPolarHBondContact O-CB 3.32Å; I494-S498 PolarHBondContact O-N 2.92Å; I494-S498 PolarHBondContact O-OG 3.15Å; E496-S498 VanDerWaalsContact C-N 3.34Å; E496-S498 PolarHBondContact O-N 3.41Å; S498-Q502 WeakPolarHBondContact O-CB 3.44Å; S498-Q502 WeakPolarHBondContact O-CG 3.34Å; S498-Q502 PolarHBondContact O-N 2.83Å
499	R	87.2	Confident	79.6	Confident	111 Å²	111	76.3 Å²	76.3	42%	0.419	41%	0.405	S	S	.	.	H	α-helix	trans	-63.8	-45.7	177.6	-171.5	-172.1	-58.4	120.5	1.8	111.8	M495 E496 Q502 L503	M495-R499 WeakPolarHBondContact O-CB 3.35Å; M495-R499 PolarHBondContact O-N 2.81Å; E496-R499 PolarHBondContact O-N 3.38Å; E496-R499 IonicContact OE1-CZ 3.89Å; E496-R499 IonicContact OE1-NH1 2.66Å; E496-R499 PolarHBondContact OE1-NH1 3.27Å; E496-R499 IonicContact OE2-CZ 3.66Å; E496-R499 IonicContact OE2-NH1 3.51Å; E496-R499 PolarHBondContact OE2-NH1 3.19Å; R499-Q502 PolarHBondContact O-N 3.41Å; R499-L503 HydrophobicContact CG-CD1 4.16Å; R499-L503 WeakPolarHBondContact O-CG 3.34Å; R499-L503 PolarHBondContact O-N 2.95Å
500	I	85.4	Confident	78.5	Confident	10 Å²	10	76.9 Å²	76.9	5%	0.051	41%	0.413	C	S	.	.	H	α-helix	trans	-70.1	-40.4	179.9	-67.2	155.6	0	0	0	110.7	G472 L473 L476 E496 Y497 Q502 L503 T504	G472-I500 VanDerWaalsContact CA-CD1 3.44Å; G472-I500 WeakPolarHBondContact O-CD1 3.47Å; L473-I500 HydrophobicContact CD2-CG2 4.48Å; L476-I500 HydrophobicContact CD1-CD1 3.42Å; L476-I500 VanDerWaalsContact CD1-CD1 3.42Å; L476-I500 HydrophobicContact CG-CD1 3.58Å; E496-I500 HydrophobicContact CG-CD1 3.78Å; E496-I500 WeakPolarHBondContact O-CD1 3.37Å; E496-I500 WeakPolarHBondContact O-CG1 3.21Å; E496-I500 PolarHBondContact O-N 3.25Å; Y497-I500 PolarHBondContact O-N 3.41Å; I500-Q502 VanDerWaalsContact C-N 3.29Å; I500-Q502 PolarHBondContact O-N 3.23Å; I500-L503 PolarHBondContact O-N 3.42Å; I500-T504 HydrophobicContact CG2-CG2 4.3Å; I500-T504 WeakPolarHBondContact O-CG2 3.28Å; I500-T504 PolarHBondContact O-N 2.85Å; I500-T504 PolarHBondContact O-OG1 2.91Å; I500-T504 VanDerWaalsContact O-OG1 3.05Å
501	S	83.9	Confident	77.2	Confident	58 Å²	58	76 Å²	76	41%	0.406	42%	0.419	S	S	.	.	H	α-helix	trans	-58	-42.5	173.6	-175.8	0	0	0	0	111.4	Y497 T504 S505	Y497-S501 WeakPolarHBondContact O-CB 3.47Å; Y497-S501 PolarHBondContact O-N 2.81Å; S501-T504 WeakPolarHBondContact CA-OG1 3.32Å; S501-T504 PolarHBondContact O-OG1 3.28Å; S501-S505 WeakPolarHBondContact O-CB 3.22Å; S501-S505 PolarHBondContact O-N 2.95Å
502	Q	82.8	Confident	75.9	Confident	127 Å²	127	73.7 Å²	73.7	59%	0.593	43%	0.429	S	S	*	.	H	α-helix	trans	-63.1	-50.6	172.5	-75.3	175.3	-27.1	0	0	111.7	S498 R499 I500 T504 S505 E506	S498-Q502 WeakPolarHBondContact O-CB 3.44Å; S498-Q502 WeakPolarHBondContact O-CG 3.34Å; S498-Q502 PolarHBondContact O-N 2.83Å; R499-Q502 PolarHBondContact O-N 3.41Å; I500-Q502 VanDerWaalsContact C-N 3.29Å; I500-Q502 PolarHBondContact O-N 3.23Å; Q502-T504 VanDerWaalsContact C-N 3.32Å; Q502-T504 PolarHBondContact O-N 3.09Å; Q502-S505 WeakPolarHBondContact O-CA 3.35Å; Q502-S505 WeakPolarHBondContact O-CB 3.19Å; Q502-S505 PolarHBondContact O-N 3.15Å; Q502-E506 WeakPolarHBondContact O-CG 3.31Å; Q502-E506 PolarHBondContact O-N 3.04Å
503	L	80.1	Confident	74.5	Confident	45 Å²	45	78.9 Å²	78.9	24%	0.236	45%	0.446	C	S	.	.	H	α-helix	trans	-58.1	-38.7	177.3	-74.8	165.7	0	0	0	113	R499 I500 E506 V507	R499-L503 HydrophobicContact CG-CD1 4.16Å; R499-L503 WeakPolarHBondContact O-CG 3.34Å; R499-L503 PolarHBondContact O-N 2.95Å; I500-L503 PolarHBondContact O-N 3.42Å; L503-E506 PolarHBondContact O-N 3.33Å; L503-V507 WeakPolarHBondContact O-CB 3.33Å; L503-V507 VanDerWaalsContact O-CG2 3.29Å; L503-V507 WeakPolarHBondContact O-CG2 3.21Å; L503-V507 PolarHBondContact O-N 2.96Å
504	T	75.4	Confident	73.1	Confident	68 Å²	68	79.2 Å²	79.2	42%	0.417	45%	0.448	S	S	.	.	H	α-helix	trans	-73.2	-29.7	176	54.5	0	0	0	0	113	I469 I500 S501 Q502 G508	I469-T504 HydrophobicContact CD1-CG2 4.15Å; I469-T504 HydrophobicContact CG1-CG2 4.37Å; I500-T504 HydrophobicContact CG2-CG2 4.3Å; I500-T504 WeakPolarHBondContact O-CG2 3.28Å; I500-T504 PolarHBondContact O-N 2.85Å; I500-T504 PolarHBondContact O-OG1 2.91Å; I500-T504 VanDerWaalsContact O-OG1 3.05Å; S501-T504 WeakPolarHBondContact CA-OG1 3.32Å; S501-T504 PolarHBondContact O-OG1 3.28Å; Q502-T504 VanDerWaalsContact C-N 3.32Å; Q502-T504 PolarHBondContact O-N 3.09Å; T504-G508 PolarHBondContact O-N 2.87Å
505	S	76.1	Confident	71.9	Confident	73 Å²	73	77.6 Å²	77.6	51%	0.51	45%	0.45	S	S	.	.	H	α-helix	trans	-68.1	-43.5	171.1	-178	0	0	0	0	111	S501 Q502 N509	S501-S505 WeakPolarHBondContact O-CB 3.22Å; S501-S505 PolarHBondContact O-N 2.95Å; Q502-S505 WeakPolarHBondContact O-CA 3.35Å; Q502-S505 WeakPolarHBondContact O-CB 3.19Å; Q502-S505 PolarHBondContact O-N 3.15Å; S505-N509 PolarHBondContact O-N 3.45Å; S505-N509 VanDerWaalsContact O-N 3.08Å; S505-N509 PolarHBondContact O-ND2 2.68Å
506	E	68.9	Low	70.9	Confident	116 Å²	116	77.4 Å²	77.4	54%	0.542	46%	0.456	S	S	.	.	H	α-helix	trans	-64.2	-51.3	175.3	-71.5	173.7	-179.4	0	0	111.1	Q502 L503 G508 N509 C510	Q502-E506 WeakPolarHBondContact O-CG 3.31Å; Q502-E506 PolarHBondContact O-N 3.04Å; L503-E506 PolarHBondContact O-N 3.33Å; E506-G508 VanDerWaalsContact C-N 3.34Å; E506-G508 PolarHBondContact O-N 2.56Å; E506-N509 CarbonylContact O-C 3.57Å; E506-N509 PolarHBondContact O-N 2.67Å; E506-N509 VanDerWaalsContact O-N 3.13Å; E506-C510 PolarHBondContact O-N 2.61Å; E506-C510 PolarHBondContact O-SG 2.85Å
507	V	67.8	Low	70	Confident	43 Å²	43	79.3 Å²	79.3	26%	0.261	47%	0.471	S	S	.	.	H	α-helix	trans	-64.2	-36.3	178.6	169.9	0	0	0	0	112.2	I469 L503 N509 C510 A511	I469-V507 HydrophobicContact CD1-CB 4.09Å; I469-V507 HydrophobicContact CD1-CG1 4.15Å; I469-V507 HydrophobicContact CD1-CG2 3.91Å; L503-V507 WeakPolarHBondContact O-CB 3.33Å; L503-V507 VanDerWaalsContact O-CG2 3.29Å; L503-V507 WeakPolarHBondContact O-CG2 3.21Å; L503-V507 PolarHBondContact O-N 2.96Å; V507-N509 VanDerWaalsContact C-N 3.32Å; V507-N509 PolarHBondContact O-N 3.4Å; V507-C510 PolarHBondContact O-N 2.74Å; V507-A511 WeakPolarHBondContact O-CB 3.37Å; V507-A511 PolarHBondContact O-N 2.66Å
508	G	65.1	Low	69.6	Low	51 Å²	51	77.2 Å²	77.2	53%	0.526	47%	0.467	S	S	.	.	H	α-helix	trans	-61.3	-38.6	172.8	0	0	0	0	0	112.9	T504 E506	T504-G508 PolarHBondContact O-N 2.87Å; E506-G508 VanDerWaalsContact C-N 3.34Å; E506-G508 PolarHBondContact O-N 2.56Å
509	N	57.3	Low	69.4	Low	91 Å²	91	82.3 Å²	82.3	49%	0.487	49%	0.485	S	S	.	.	H	α-helix	trans	-73.3	-42.3	171.9	-76.9	-63.6	0	0	0	112.3	S505 E506 V507 A511 G512 Q513	S505-N509 PolarHBondContact O-N 3.45Å; S505-N509 VanDerWaalsContact O-N 3.08Å; S505-N509 PolarHBondContact O-ND2 2.68Å; E506-N509 CarbonylContact O-C 3.57Å; E506-N509 PolarHBondContact O-N 2.67Å; E506-N509 VanDerWaalsContact O-N 3.13Å; V507-N509 VanDerWaalsContact C-N 3.32Å; V507-N509 PolarHBondContact O-N 3.4Å; N509-A511 VanDerWaalsContact C-N 3.3Å; N509-A511 PolarHBondContact O-N 3.45Å; N509-G512 PolarHBondContact O-N 3.06Å; N509-G512 VanDerWaalsContact O-N 3.11Å; N509-Q513 WeakPolarHBondContact O-CB 3.48Å; N509-Q513 WeakPolarHBondContact O-CG 3.4Å; N509-Q513 PolarHBondContact O-N 3.18Å
510	C	52.6	Low	69.6	Low	53 Å²	53	80.3 Å²	80.3	36%	0.358	49%	0.485	S	S	.	.	H	α-helix	trans	-59.5	-39.7	178.3	-69.1	0	0	0	0	112.2	E506 V507 G512 Q513 F514	E506-C510 PolarHBondContact O-N 2.61Å; E506-C510 PolarHBondContact O-SG 2.85Å; V507-C510 PolarHBondContact O-N 2.74Å; C510-G512 PolarHBondContact O-N 3.02Å; C510-G512 VanDerWaalsContact O-N 3.15Å; C510-Q513 PolarHBondContact O-N 3.46Å; C510-F514 HydrophobicContact CB-CD2 4.47Å; C510-F514 HydrophobicContact CB-CE2 3.88Å; C510-F514 HydrophobicContact CB-CZ 4.46Å; C510-F514 WeakPolarHBondContact O-CD2 3.38Å; C510-F514 PolarHBondContact O-N 3.3Å
511	A	54.6	Low	69.8	Low	79 Å²	79	83.2 Å²	83.2	65%	0.653	50%	0.5	S	S	*	.	H	α-helix	trans	-57	-29	177.3	0	0	0	0	0	113.4	V507 N509	V507-A511 WeakPolarHBondContact O-CB 3.37Å; V507-A511 PolarHBondContact O-N 2.66Å; N509-A511 VanDerWaalsContact C-N 3.3Å; N509-A511 PolarHBondContact O-N 3.45Å
512	G	55.1	Low	70.2	Confident	74 Å²	74	90 Å²	90	76%	0.763	52%	0.517	S	S	*	.	H	α-helix	trans	-94.6	-6.5	173	0	0	0	0	0	115.3	N509 C510	N509-G512 PolarHBondContact O-N 3.06Å; N509-G512 VanDerWaalsContact O-N 3.11Å; C510-G512 PolarHBondContact O-N 3.02Å; C510-G512 VanDerWaalsContact O-N 3.15Å
513	Q	53.4	Low	70.6	Confident	147 Å²	147	85.9 Å²	85.9	69%	0.687	51%	0.508	S	S	*	.	H	α-helix	trans	-115	-7.8	-173.7	-71.2	-178.4	15	0	0	114.7	N509 C510 A515	N509-Q513 WeakPolarHBondContact O-CB 3.48Å; N509-Q513 WeakPolarHBondContact O-CG 3.4Å; N509-Q513 PolarHBondContact O-N 3.18Å; C510-Q513 PolarHBondContact O-N 3.46Å; Q513-A515 PolarHBondContact O-N 3.09Å
514	F	56.8	Low	71.1	Confident	82 Å²	82	87.8 Å²	87.8	36%	0.36	51%	0.512	S	S	.	.			trans	-62.2	105.1	167	-76.4	-70.8	0	0	0	109.5	L461 L462 C510	L461-F514 HydrophobicContact CD1-CE1 4.42Å; L462-F514 HydrophobicContact CD2-CD2 4.31Å; L462-F514 HydrophobicContact CD2-CE2 3.54Å; L462-F514 HydrophobicContact CD2-CZ 4.03Å; L462-F514 HydrophobicContact CG-CE2 4.15Å; L462-F514 HydrophobicContact CG-CZ 4.24Å; C510-F514 HydrophobicContact CB-CD2 4.47Å; C510-F514 HydrophobicContact CB-CE2 3.88Å; C510-F514 HydrophobicContact CB-CZ 4.46Å; C510-F514 WeakPolarHBondContact O-CD2 3.38Å; C510-F514 PolarHBondContact O-N 3.3Å
515	A	61.7	Low	71.9	Confident	69 Å²	69	87.3 Å²	87.3	57%	0.57	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-47.3	144.1	165.2	0	0	0	0	0	109.5	K458 Q513	K458-A515 PolarHBondContact NZ-O 3.44Å; Q513-A515 PolarHBondContact O-N 3.09Å
516	P	64.7	Low	72.8	Confident	102 Å²	102	86.5 Å²	86.5	66%	0.662	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-53	154.3	-172.3	18.8	-31.8	0	0	0	112.3	K458 E518	K458-P516 PolarHBondContact NZ-O 2.8Å; P516-E518 PolarHBondContact O-N 3.39Å
517	P	68.3	Low	74	Confident	73 Å²	73	84.2 Å²	84.2	47%	0.474	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-46.3	142	168.6	-28	36.8	0	0	0	111.1	L455 E519	L455-P517 HydrophobicContact CD2-CB 3.95Å; L455-P517 HydrophobicContact CD2-CG 4.32Å; P517-E519 PolarHBondContact O-N 2.94Å
518	E	76.8	Confident	75.2	Confident	94 Å²	94	83.7 Å²	83.7	44%	0.439	49%	0.493	S	S	.	.			trans	-66.3	104.4	168.8	-84.8	-174.4	-121.2	0	0	107.6	R450 V451 P516	R450-E518 WeakPolarHBondContact CD-OE2 3.29Å; R450-E518 WeakPolarHBondContact CG-OE2 3.32Å; R450-E518 IonicContact CZ-OE2 3.49Å; R450-E518 IonicContact NE-OE2 2.59Å; R450-E518 IonicContact NH1-OE2 2.66Å; R450-E518 PolarHBondContact NH1-OE2 2.93Å; V451-E518 WeakPolarHBondContact CG1-O 3.5Å; V451-E518 WeakPolarHBondContact CG2-O 3.46Å; P516-E518 PolarHBondContact O-N 3.39Å
519	E	84.3	Confident	76.5	Confident	163 Å²	163	86.6 Å²	86.6	76%	0.762	49%	0.493	S	S	*	.			trans	-70.4	154.6	178.9	-64.3	-162.2	164.7	0	0	111.5	R450 P517 D521	R450-E519 PolarHBondContact NH2-O 3.18Å; P517-E519 PolarHBondContact O-N 2.94Å; E519-D521 PolarHBondContact O-N 2.82Å
520	V	89.9	Confident	78.2	Confident	69 Å²	69	89.2 Å²	89.2	42%	0.418	50%	0.496	S	S	.	.			trans	-65.1	124.8	175.5	-179	0	0	0	0	109.9	E447 V451 R522 L525	E447-V520 HydrophobicContact CG-CG1 4.41Å; V451-V520 HydrophobicContact CB-CG2 4.5Å; V451-V520 HydrophobicContact CG1-CG2 4.03Å; V451-V520 HydrophobicContact CG2-CG2 4.07Å; V520-R522 VanDerWaalsContact C-N 3.31Å; V520-R522 PolarHBondContact O-N 2.85Å; V520-L525 HydrophobicContact CG1-CD1 3.52Å
521	D	90.7	Very high	80.1	Confident	71 Å²	71	91.9 Å²	91.9	38%	0.38	50%	0.498	S	S	.	.			trans	-72.4	86.5	175.4	-173.9	-10.4	0	0	0	110.5	E447 E519 G523 R524 L525	E447-D521 WeakPolarHBondContact OE1-CB 3.23Å; E447-D521 PolarHBondContact OE1-N 3.3Å; E519-D521 PolarHBondContact O-N 2.82Å; D521-G523 PolarHBondContact O-N 3.03Å; D521-G523 VanDerWaalsContact OD1-CA 3.27Å; D521-G523 WeakPolarHBondContact OD1-CA 3.4Å; D521-G523 PolarHBondContact OD1-N 2.93Å; D521-R524 HydrophobicContact CB-CB 3.94Å; D521-R524 PolarHBondContact O-N 2.77Å; D521-R524 PolarHBondContact OD1-N 2.87Å; D521-R524 VanDerWaalsContact OD2-CB 3.25Å; D521-R524 WeakPolarHBondContact OD2-CB 3.19Å; D521-L525 WeakPolarHBondContact O-CG 3.43Å; D521-L525 PolarHBondContact O-N 3.29Å; D521-L525 VanDerWaalsContact O-N 3.09Å
522	R	91.3	Very high	81.7	Confident	201 Å²	201	91 Å²	91	76%	0.758	49%	0.485	S	S	*	.	H	α-helix	trans	-59.8	-25.5	173.1	-66.1	177.5	179.6	-90.4	0.6	112.4	V520 S526	V520-R522 VanDerWaalsContact C-N 3.31Å; V520-R522 PolarHBondContact O-N 2.85Å; R522-S526 VanDerWaalsContact O-CB 3.24Å; R522-S526 WeakPolarHBondContact O-CB 3.5Å; R522-S526 PolarHBondContact O-N 3.15Å; R522-S526 PolarHBondContact O-OG 2.69Å
523	G	91.5	Very high	83.3	Confident	40 Å²	40	92 Å²	92	41%	0.412	47%	0.47	S	S	.	.	H	α-helix	trans	-69.1	-53.4	176.1	0	0	0	0	0	111.4	D521 L525 S526 C527	D521-G523 PolarHBondContact O-N 3.03Å; D521-G523 VanDerWaalsContact OD1-CA 3.27Å; D521-G523 WeakPolarHBondContact OD1-CA 3.4Å; D521-G523 PolarHBondContact OD1-N 2.93Å; G523-L525 VanDerWaalsContact C-N 3.34Å; G523-L525 PolarHBondContact O-N 2.93Å; G523-S526 PolarHBondContact O-N 3.43Å; G523-C527 WeakPolarHBondContact O-CB 3.15Å; G523-C527 PolarHBondContact O-N 3.07Å; G523-C527 PolarHBondContact O-SG 3.37Å
524	R	90.1	Very high	84.9	Confident	85 Å²	85	92.7 Å²	92.7	32%	0.321	47%	0.47	S	S	.	.	H	α-helix	trans	-55.5	-45.5	174	-177	179.2	-170.6	-149.2	-1.6	112	E446 E447 D521 C527 L528	E446-R524 IonicContact OE2-CZ 2.61Å; E446-R524 IonicContact OE2-NH2 2.68Å; E446-R524 PolarHBondContact OE2-NH2 2.83Å; E447-R524 IonicContact OE2-NH1 2.76Å; E447-R524 PolarHBondContact OE2-NH1 3.04Å; D521-R524 HydrophobicContact CB-CB 3.94Å; D521-R524 PolarHBondContact O-N 2.77Å; D521-R524 PolarHBondContact OD1-N 2.87Å; D521-R524 VanDerWaalsContact OD2-CB 3.25Å; D521-R524 WeakPolarHBondContact OD2-CB 3.19Å; R524-C527 PolarHBondContact O-N 3Å; R524-L528 PolarHBondContact O-N 2.82Å
525	L	93.3	Very high	86.2	Confident	57 Å²	57	92.1 Å²	92.1	30%	0.298	47%	0.466	S	S	.	.	H	α-helix	trans	-66.4	-40.7	177.3	-65.8	178.5	0	0	0	112.8	V444 V520 D521 G523 C527 L528 Q529	V444-L525 HydrophobicContact CG2-CD2 4.38Å; V520-L525 HydrophobicContact CG1-CD1 3.52Å; D521-L525 WeakPolarHBondContact O-CG 3.43Å; D521-L525 PolarHBondContact O-N 3.29Å; D521-L525 VanDerWaalsContact O-N 3.09Å; G523-L525 VanDerWaalsContact C-N 3.34Å; G523-L525 PolarHBondContact O-N 2.93Å; L525-C527 VanDerWaalsContact C-N 3.33Å; L525-C527 PolarHBondContact O-N 3.06Å; L525-L528 WeakPolarHBondContact O-CB 3.43Å; L525-L528 PolarHBondContact O-N 3.13Å; L525-Q529 PolarHBondContact O-N 2.82Å
526	S	94	Very high	87.1	Confident	56 Å²	56	95.2 Å²	95.2	39%	0.392	47%	0.472	S	S	.	.	H	α-helix	trans	-66.3	-34.5	175.9	-59.2	0	0	0	0	112.4	R522 G523 R530	R522-S526 VanDerWaalsContact O-CB 3.24Å; R522-S526 WeakPolarHBondContact O-CB 3.5Å; R522-S526 PolarHBondContact O-N 3.15Å; R522-S526 PolarHBondContact O-OG 2.69Å; G523-S526 PolarHBondContact O-N 3.43Å; S526-R530 WeakPolarHBondContact O-CB 3.38Å; S526-R530 PolarHBondContact O-N 3.07Å
527	C	93.9	Very high	87.6	Confident	68 Å²	68	96.8 Å²	96.8	46%	0.459	48%	0.475	S	S	.	.	H	α-helix	trans	-69.7	-37.5	173.3	-73.6	0	0	0	0	112.3	G523 R524 L525 R530 W531	G523-C527 WeakPolarHBondContact O-CB 3.15Å; G523-C527 PolarHBondContact O-N 3.07Å; G523-C527 PolarHBondContact O-SG 3.37Å; R524-C527 PolarHBondContact O-N 3Å; L525-C527 VanDerWaalsContact C-N 3.33Å; L525-C527 PolarHBondContact O-N 3.06Å; C527-R530 PolarHBondContact SG-NH1 3.19Å; C527-R530 VanDerWaalsContact SG-NH1 3.38Å; C527-W531 WeakPolarHBondContact O-CB 3.33Å; C527-W531 PolarHBondContact O-N 2.8Å
528	L	93.7	Very high	87.9	Confident	32 Å²	32	96.2 Å²	96.2	17%	0.168	48%	0.476	C	S	.	.	H	α-helix	trans	-62.3	-46.3	171.9	-179.9	67.8	0	0	0	111.4	A440 C443 V444 R524 L525 W531 T532	A440-L528 HydrophobicContact CB-CD1 4.05Å; C443-L528 HydrophobicContact CB-CD2 4.25Å; V444-L528 HydrophobicContact CG2-CD2 3.61Å; R524-L528 PolarHBondContact O-N 2.82Å; L525-L528 WeakPolarHBondContact O-CB 3.43Å; L525-L528 PolarHBondContact O-N 3.13Å; L528-W531 HydrophobicContact CD1-CE3 4.27Å; L528-W531 PolarHBondContact O-N 2.81Å; L528-T532 PolarHBondContact O-N 2.99Å; L528-T532 PolarHBondContact O-OG1 2.79Å
529	Q	92.4	Very high	87.5	Confident	112 Å²	112	94 Å²	94	52%	0.523	47%	0.469	S	S	.	.	H	α-helix	trans	-58.2	-52.8	177	-179.9	-178.5	-24	0	0	111.3	L525 W531 T532 E533	L525-Q529 PolarHBondContact O-N 2.82Å; Q529-W531 PolarHBondContact O-N 2.86Å; Q529-T532 WeakPolarHBondContact CA-OG1 3.3Å; Q529-T532 PolarHBondContact O-N 2.82Å; Q529-T532 PolarHBondContact O-OG1 2.84Å; Q529-E533 HydrophobicContact CG-CG 4.44Å; Q529-E533 WeakPolarHBondContact CG-OE1 3.18Å; Q529-E533 PolarHBondContact NE2-OE1 3.23Å; Q529-E533 WeakPolarHBondContact O-CG 3.42Å; Q529-E533 PolarHBondContact O-N 2.88Å
530	R	93.3	Very high	86.3	Confident	147 Å²	147	91.5 Å²	91.5	56%	0.555	47%	0.465	S	S	*	.	H	α-helix	trans	-59.6	-33.1	179	-165.2	-172.9	-54.6	106.1	4.6	112.7	S526 C527 E533 K534	S526-R530 WeakPolarHBondContact O-CB 3.38Å; S526-R530 PolarHBondContact O-N 3.07Å; C527-R530 PolarHBondContact SG-NH1 3.19Å; C527-R530 VanDerWaalsContact SG-NH1 3.38Å; R530-E533 WeakPolarHBondContact CA-OE2 3.39Å; R530-K534 WeakPolarHBondContact O-CB 3.38Å; R530-K534 PolarHBondContact O-N 3.29Å; R530-K534 VanDerWaalsContact O-N 3.11Å
531	W	91.4	Very high	84.8	Confident	108 Å²	108	94.7 Å²	94.7	41%	0.409	48%	0.478	S	S	.	.	H	α-helix	trans	-69.1	-44	172.9	175.4	91.7	0	0	0	111.6	E436 A440 C527 L528 Q529 E533 K534 R535	E436-W531 HydrophobicContact CG-CH2 3.65Å; E436-W531 HydrophobicContact CG-CZ2 4.29Å; E436-W531 WeakPolarHBondContact OE1-CH2 3.31Å; E436-W531 WeakPolarHBondContact OE1-CZ2 3.13Å; A440-W531 HydrophobicContact CB-CZ3 3.92Å; C527-W531 WeakPolarHBondContact O-CB 3.33Å; C527-W531 PolarHBondContact O-N 2.8Å; L528-W531 HydrophobicContact CD1-CE3 4.27Å; L528-W531 PolarHBondContact O-N 2.81Å; Q529-W531 PolarHBondContact O-N 2.86Å; W531-E533 PolarHBondContact O-N 2.95Å; W531-K534 PolarHBondContact O-N 2.94Å; W531-R535 HydrophobicContact CD2-CG 4.07Å; W531-R535 HydrophobicContact CE3-CG 4.38Å; W531-R535 HydrophobicContact CH2-CG 4.07Å; W531-R535 HydrophobicContact CZ2-CG 3.74Å; W531-R535 HydrophobicContact CZ3-CG 4.38Å; W531-R535 WeakPolarHBondContact O-CB 3.49Å; W531-R535 WeakPolarHBondContact O-CG 3.33Å; W531-R535 PolarHBondContact O-N 2.88Å
532	T	89.3	Confident	83.2	Confident	61 Å²	61	94.6 Å²	94.6	37%	0.374	48%	0.48	S	S	.	.	H	α-helix	trans	-63.8	-38	175.2	48.7	0	0	0	0	113.1	L528 Q529 R535 L536	L528-T532 PolarHBondContact O-N 2.99Å; L528-T532 PolarHBondContact O-OG1 2.79Å; Q529-T532 WeakPolarHBondContact CA-OG1 3.3Å; Q529-T532 PolarHBondContact O-N 2.82Å; Q529-T532 PolarHBondContact O-OG1 2.84Å; T532-R535 PolarHBondContact O-N 2.96Å; T532-L536 PolarHBondContact O-N 3.25Å
533	E	88.5	Confident	81.4	Confident	95 Å²	95	91.5 Å²	91.5	44%	0.444	48%	0.476	S	S	.	.	H	α-helix	trans	-61.7	-51.5	175	-70.1	164.1	170.8	0	0	110.6	Q529 R530 W531 R535 L536 D537	Q529-E533 HydrophobicContact CG-CG 4.44Å; Q529-E533 WeakPolarHBondContact CG-OE1 3.18Å; Q529-E533 PolarHBondContact NE2-OE1 3.23Å; Q529-E533 WeakPolarHBondContact O-CG 3.42Å; Q529-E533 PolarHBondContact O-N 2.88Å; R530-E533 WeakPolarHBondContact CA-OE2 3.39Å; W531-E533 PolarHBondContact O-N 2.95Å; E533-R535 PolarHBondContact O-N 3.07Å; E533-L536 WeakPolarHBondContact O-CB 3.42Å; E533-L536 PolarHBondContact O-N 3.02Å; E533-D537 PolarHBondContact O-N 3.35Å
534	K	87.2	Confident	79.5	Confident	161 Å²	161	95.2 Å²	95.2	70%	0.7	49%	0.493	S	S	*	.	H	α-helix	trans	-62.3	-28.6	175.5	-175	172.6	-179.6	177	0	113.2	R530 W531 A538	R530-K534 WeakPolarHBondContact O-CB 3.38Å; R530-K534 PolarHBondContact O-N 3.29Å; R530-K534 VanDerWaalsContact O-N 3.11Å; W531-K534 PolarHBondContact O-N 2.94Å; K534-A538 WeakPolarHBondContact O-CB 3.46Å; K534-A538 PolarHBondContact O-N 3.31Å
535	R	84.3	Confident	77.9	Confident	71 Å²	71	92.9 Å²	92.9	27%	0.268	50%	0.495	S	S	.	.	H	α-helix	trans	-72.8	-36.1	173.2	-75.1	-64	-64.2	112.6	3.4	112.1	E436 W531 T532 E533 A538 V539	E436-R535 IonicContact OE1-CZ 3.3Å; E436-R535 IonicContact OE1-NE 3.26Å; E436-R535 PolarHBondContact OE1-NE 2.85Å; E436-R535 IonicContact OE1-NH2 2.91Å; E436-R535 PolarHBondContact OE1-NH2 2.7Å; E436-R535 IonicContact OE2-CZ 3.82Å; E436-R535 IonicContact OE2-NE 3.3Å; E436-R535 PolarHBondContact OE2-NE 2.98Å; E436-R535 IonicContact OE2-NH2 3.48Å; E436-R535 PolarHBondContact OE2-NH2 2.88Å; W531-R535 HydrophobicContact CD2-CG 4.07Å; W531-R535 HydrophobicContact CE3-CG 4.38Å; W531-R535 HydrophobicContact CH2-CG 4.07Å; W531-R535 HydrophobicContact CZ2-CG 3.74Å; W531-R535 HydrophobicContact CZ3-CG 4.38Å; W531-R535 WeakPolarHBondContact O-CB 3.49Å; W531-R535 WeakPolarHBondContact O-CG 3.33Å; W531-R535 PolarHBondContact O-N 2.88Å; T532-R535 PolarHBondContact O-N 2.96Å; E533-R535 PolarHBondContact O-N 3.07Å; R535-A538 CarbonylContact O-C 3.53Å; R535-A538 PolarHBondContact O-N 2.96Å; R535-V539 WeakPolarHBondContact O-CG2 3.5Å; R535-V539 PolarHBondContact O-N 2.83Å
536	L	80	Confident	76.5	Confident	134 Å²	134	98 Å²	98	70%	0.702	52%	0.515	S	S	*	.	H	α-helix	trans	-61	-46.8	175.3	-175.3	62.4	0	0	0	111.5	T532 E533 A538 V539	T532-L536 PolarHBondContact O-N 3.25Å; E533-L536 WeakPolarHBondContact O-CB 3.42Å; E533-L536 PolarHBondContact O-N 3.02Å; L536-A538 VanDerWaalsContact C-N 3.26Å; L536-A538 PolarHBondContact O-N 3.47Å; L536-V539 PolarHBondContact O-N 2.97Å
537	D	75.4	Confident	75.7	Confident	134 Å²	134	96.8 Å²	96.8	72%	0.717	50%	0.504	S	S	*	.	H	α-helix	trans	-62.2	-32.6	175.5	-69.3	-28.4	0	0	0	112.8	E533	E533-D537 PolarHBondContact O-N 3.35Å
538	A	74.1	Confident	75.3	Confident	61 Å²	61	94.4 Å²	94.4	50%	0.504	49%	0.486	S	S	.	.	H	α-helix	trans	-84.1	-19.6	-179.7	0	0	0	0	0	114	K534 R535 L536 V540	K534-A538 WeakPolarHBondContact O-CB 3.46Å; K534-A538 PolarHBondContact O-N 3.31Å; R535-A538 CarbonylContact O-C 3.53Å; R535-A538 PolarHBondContact O-N 2.96Å; L536-A538 VanDerWaalsContact C-N 3.26Å; L536-A538 PolarHBondContact O-N 3.47Å; A538-V540 VanDerWaalsContact C-N 3.28Å; A538-V540 PolarHBondContact O-N 3.47Å; A538-V540 VanDerWaalsContact O-N 3.13Å
539	V	69.7	Low	74.9	Confident	47 Å²	47	96.2 Å²	96.2	29%	0.285	50%	0.496	S	S	.	.	S	Bend	trans	-85	77.8	170.2	179.3	0	0	0	0	108	L433 R535 L536 I541	L433-V539 HydrophobicContact CD2-CG2 4.26Å; R535-V539 WeakPolarHBondContact O-CG2 3.5Å; R535-V539 PolarHBondContact O-N 2.83Å; L536-V539 PolarHBondContact O-N 2.97Å; V539-I541 VanDerWaalsContact C-N 3.27Å; V539-I541 HydrophobicContact CG1-CG1 4.3Å; V539-I541 PolarHBondContact O-N 2.89Å
540	V	58.8	Low	74.5	Confident	112 Å²	112	94 Å²	94	68%	0.679	49%	0.487	S	S	*	.			trans	-68.8	84.8	177.6	-174.1	0	0	0	0	109.9	A538 T542	A538-V540 VanDerWaalsContact C-N 3.28Å; A538-V540 PolarHBondContact O-N 3.47Å; A538-V540 VanDerWaalsContact O-N 3.13Å; V540-T542 HydrophobicContact CG1-CG2 4.32Å; V540-T542 PolarHBondContact O-N 2.93Å
541	I	58.8	Low	74.3	Confident	136 Å²	136	88.3 Å²	88.3	70%	0.697	47%	0.466	S	S	*	.			trans	-66.7	109.1	159.4	-59.9	171.8	0	0	0	105.7	V539 M543	V539-I541 VanDerWaalsContact C-N 3.27Å; V539-I541 HydrophobicContact CG1-CG1 4.3Å; V539-I541 PolarHBondContact O-N 2.89Å; I541-M543 PolarHBondContact O-N 3.17Å
542	T	55.9	Low	74.3	Confident	69 Å²	69	85.4 Å²	85.4	42%	0.423	46%	0.455	S	S	.	.			trans	-64.7	107	-179	33.3	0	0	0	0	110.5	V540 D547	V540-T542 HydrophobicContact CG1-CG2 4.32Å; V540-T542 PolarHBondContact O-N 2.93Å; T542-D547 WeakPolarHBondContact CB-OD2 3.27Å; T542-D547 HydrophobicContact CG2-CB 4.13Å; T542-D547 WeakPolarHBondContact CG2-OD2 3.45Å; T542-D547 PolarHBondContact OG1-OD2 3.41Å
543	M	52.7	Low	74.3	Confident	136 Å²	136	88.5 Å²	88.5	67%	0.67	47%	0.468	S	S	*	.			trans	-60.9	132.9	-179.8	-73.2	-65.1	-68.2	0	0	110.2	I541 G545 K546	I541-M543 PolarHBondContact O-N 3.17Å; M543-G545 PolarHBondContact O-N 2.93Å; M543-K546 PolarHBondContact O-N 2.72Å
544	P	52.3	Low	74.3	Confident	117 Å²	117	89.3 Å²	89.3	76%	0.76	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	128.2	179	-29.2	35.4	0	0	0	111.9
545	G	55.8	Low	74.6	Confident	36 Å²	36	84.4 Å²	84.4	37%	0.371	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.8	-5.8	174.3	0	0	0	0	0	116.9	M543 Y551	M543-G545 PolarHBondContact O-N 2.93Å; G545-Y551 WeakPolarHBondContact CA-OH 3.35Å; G545-Y551 WeakPolarHBondContact O-CE2 3.36Å; G545-Y551 PolarHBondContact O-OH 2.92Å
546	K	64.8	Low	75	Confident	164 Å²	164	82.2 Å²	82.2	71%	0.713	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	-18.1	172.9	-70.3	-171.5	177.1	-176.8	0	115.4	M543	M543-K546 PolarHBondContact O-N 2.72Å
547	D	77.1	Confident	75.7	Confident	31 Å²	31	77.4 Å²	77.4	17%	0.166	43%	0.428	C	S	.	.	B	Isolated β-bridge	trans	-83	111.7	-176.8	-176.6	-32.3	0	0	0	110.8	T542 D549 L550 Y551	T542-D547 WeakPolarHBondContact CB-OD2 3.27Å; T542-D547 HydrophobicContact CG2-CB 4.13Å; T542-D547 WeakPolarHBondContact CG2-OD2 3.45Å; T542-D547 PolarHBondContact OG1-OD2 3.41Å; D547-D549 VanDerWaalsContact C-N 3.27Å; D547-D549 PolarHBondContact O-N 3.05Å; D547-D549 PolarHBondContact OD1-N 3.04Å; D547-L550 HydrophobicContact CB-CB 4.1Å; D547-L550 HydrophobicContact CB-CD1 3.95Å; D547-L550 HydrophobicContact CB-CG 4.09Å; D547-L550 PolarHBondContact O-N 2.69Å; D547-L550 PolarHBondContact OD1-N 2.89Å; D547-Y551 VanDerWaalsContact O-CD2 3.25Å; D547-Y551 WeakPolarHBondContact O-CD2 3.2Å; D547-Y551 PolarHBondContact O-N 2.88Å
548	R	85.8	Confident	76.7	Confident	19 Å²	19	73.3 Å²	73.3	7%	0.072	41%	0.407	C	S	.	.	H	α-helix	trans	-60.8	-35.9	-178.9	-179.5	170.9	168.4	-134.5	-19.7	112.5	Y551 R552 E615 R679 T697 G700 L702	R548-Y551 PolarHBondContact O-N 3.16Å; R548-R552 WeakPolarHBondContact O-CG 3.21Å; R548-R552 PolarHBondContact O-N 3.07Å; R548-E615 IonicContact CZ-OE1 3.04Å; R548-E615 IonicContact CZ-OE2 2.72Å; R548-E615 IonicContact NE-OE1 2.69Å; R548-E615 PolarHBondContact NE-OE1 3.29Å; R548-E615 IonicContact NE-OE2 3.68Å; R548-E615 IonicContact NH2-OE1 3.97Å; R548-E615 PolarHBondContact NH2-OE1 2.87Å; R548-E615 IonicContact NH2-OE2 3.93Å; R548-E615 PolarHBondContact NH2-OE2 3.48Å; R548-R679 VanDerWaalsContact NH2-NH1 3.14Å; R548-T697 PolarHBondContact NH1-O 3.45Å; R548-G700 WeakPolarHBondContact CB-O 3.46Å; R548-L702 HydrophobicContact CB-CD2 3.9Å; R548-L702 HydrophobicContact CB-CG 3.86Å; R548-L702 HydrophobicContact CG-CD2 3.76Å; R548-L702 HydrophobicContact CG-CG 4.24Å
549	D	85.8	Confident	77.7	Confident	70 Å²	70	71 Å²	71	37%	0.374	39%	0.387	S	S	.	.	H	α-helix	trans	-79.7	-31.3	-173.7	-69.8	-7.8	0	0	0	111	D547 Y551 R552 L553	D547-D549 VanDerWaalsContact C-N 3.27Å; D547-D549 PolarHBondContact O-N 3.05Å; D547-D549 PolarHBondContact OD1-N 3.04Å; D549-Y551 PolarHBondContact O-N 2.66Å; D549-R552 PolarHBondContact O-N 3.3Å; D549-R552 WeakPolarHBondContact OD1-CD 3.42Å; D549-R552 IonicContact OD1-CZ 2.82Å; D549-R552 IonicContact OD1-NE 3.51Å; D549-R552 IonicContact OD1-NH1 3.86Å; D549-R552 PolarHBondContact OD1-NH1 3.27Å; D549-R552 IonicContact OD2-NH1 3.52Å; D549-L553 VanDerWaalsContact O-CB 3.28Å; D549-L553 WeakPolarHBondContact O-CB 3.41Å; D549-L553 WeakPolarHBondContact O-CG 3.48Å; D549-L553 PolarHBondContact O-N 3.04Å
550	L	84.4	Confident	79	Confident	66 Å²	66	70.7 Å²	70.7	35%	0.346	39%	0.39	S	S	.	.	H	α-helix	trans	-62.3	-38.2	166.6	-72.5	179.2	0	0	0	112.8	D547 L554	D547-L550 HydrophobicContact CB-CB 4.1Å; D547-L550 HydrophobicContact CB-CD1 3.95Å; D547-L550 HydrophobicContact CB-CG 4.09Å; D547-L550 PolarHBondContact O-N 2.69Å; D547-L550 PolarHBondContact OD1-N 2.89Å; L550-L554 VanDerWaalsContact O-CB 3.27Å; L550-L554 WeakPolarHBondContact O-CB 3.5Å; L550-L554 VanDerWaalsContact O-CG 3.32Å; L550-L554 WeakPolarHBondContact O-CG 3.19Å; L550-L554 PolarHBondContact O-N 3.44Å
551	Y	87.9	Confident	80.8	Confident	27 Å²	27	65.5 Å²	65.5	11%	0.106	36%	0.358	C	S	.	.	H	α-helix	trans	-66.5	-43.3	173	-77.4	-84	0	0	0	112.1	G545 D547 R548 D549 Y555 G556 Y613 F683 L702	G545-Y551 WeakPolarHBondContact CA-OH 3.35Å; G545-Y551 WeakPolarHBondContact O-CE2 3.36Å; G545-Y551 PolarHBondContact O-OH 2.92Å; D547-Y551 VanDerWaalsContact O-CD2 3.25Å; D547-Y551 WeakPolarHBondContact O-CD2 3.2Å; D547-Y551 PolarHBondContact O-N 2.88Å; R548-Y551 PolarHBondContact O-N 3.16Å; D549-Y551 PolarHBondContact O-N 2.66Å; Y551-Y555 AromaticContact CD1-CD2 3.87Å; Y551-Y555 HydrophobicContact CD1-CD2 3.87Å; Y551-Y555 HydrophobicContact CD1-CE2 4.29Å; Y551-Y555 PolarHBondContact O-N 3.35Å; Y551-G556 PolarHBondContact O-N 2.88Å; Y551-Y613 HydrophobicContact CD1-CD2 4.32Å; Y551-Y613 HydrophobicContact CG-CD2 4.35Å; Y551-F683 AromaticContact CD1-CD2 3.59Å; Y551-F683 HydrophobicContact CD1-CD2 3.59Å; Y551-F683 AromaticContact CD1-CE2 3.82Å; Y551-F683 HydrophobicContact CD1-CE2 3.82Å; Y551-F683 HydrophobicContact CD1-CG 4.09Å; Y551-F683 HydrophobicContact CD1-CZ 4.5Å; Y551-F683 HydrophobicContact CE1-CB 4.39Å; Y551-F683 AromaticContact CE1-CD1 3.95Å; Y551-F683 HydrophobicContact CE1-CD1 3.95Å; Y551-F683 AromaticContact CE1-CD2 3.57Å; Y551-F683 HydrophobicContact CE1-CD2 3.57Å; Y551-F683 HydrophobicContact CE1-CE1 4.05Å; Y551-F683 AromaticContact CE1-CE2 3.69Å; Y551-F683 HydrophobicContact CE1-CE2 3.69Å; Y551-F683 AromaticContact CE1-CG 3.7Å; Y551-F683 HydrophobicContact CE1-CG 3.7Å; Y551-F683 AromaticContact CE1-CZ 3.93Å; Y551-F683 HydrophobicContact CE1-CZ 3.93Å; Y551-L702 HydrophobicContact CD2-CD1 3.39Å; Y551-L702 HydrophobicContact CE2-CD1 3.65Å; Y551-L702 HydrophobicContact CG-CD1 4.11Å
552	R	90.8	Very high	82.6	Confident	47 Å²	47	60.9 Å²	60.9	18%	0.177	34%	0.335	C	S	.	.	H	α-helix	trans	-60	-44	175.7	-70.3	164.1	63.9	-167.2	6.2	112	R548 D549 G556 Y613 L732 F733	R548-R552 WeakPolarHBondContact O-CG 3.21Å; R548-R552 PolarHBondContact O-N 3.07Å; D549-R552 PolarHBondContact O-N 3.3Å; D549-R552 WeakPolarHBondContact OD1-CD 3.42Å; D549-R552 IonicContact OD1-CZ 2.82Å; D549-R552 IonicContact OD1-NE 3.51Å; D549-R552 IonicContact OD1-NH1 3.86Å; D549-R552 PolarHBondContact OD1-NH1 3.27Å; D549-R552 IonicContact OD2-NH1 3.52Å; R552-G556 WeakPolarHBondContact O-CA 3.4Å; R552-G556 PolarHBondContact O-N 3.43Å; R552-Y613 HydrophobicContact CG-CD1 4.21Å; R552-Y613 HydrophobicContact CG-CE1 3.79Å; R552-L732 HydrophobicContact CG-CD2 4.4Å; R552-L732 VanDerWaalsContact CZ-O 3.27Å; R552-L732 PolarHBondContact NE-O 2.93Å; R552-L732 PolarHBondContact NH2-O 2.9Å; R552-F733 WeakPolarHBondContact O-CE1 3.46Å; R552-F733 VanDerWaalsContact O-CZ 3.32Å; R552-F733 WeakPolarHBondContact O-CZ 3.3Å
553	L	89.7	Confident	84.6	Confident	125 Å²	125	59.1 Å²	59.1	65%	0.654	33%	0.327	S	S	*	.	H	α-helix	trans	-78.9	-34.8	-175.2	-69.1	168.5	0	0	0	113.9	D549 F733	D549-L553 VanDerWaalsContact O-CB 3.28Å; D549-L553 WeakPolarHBondContact O-CB 3.41Å; D549-L553 WeakPolarHBondContact O-CG 3.48Å; D549-L553 PolarHBondContact O-N 3.04Å; L553-F733 HydrophobicContact CD2-CE1 4.45Å
554	L	89.5	Confident	86.7	Confident	112 Å²	112	56.1 Å²	56.1	59%	0.586	31%	0.314	S	S	*	.	H	α-helix	trans	-93.4	-31.3	-175.4	-63.1	175.5	0	0	0	114	L550	L550-L554 VanDerWaalsContact O-CB 3.27Å; L550-L554 WeakPolarHBondContact O-CB 3.5Å; L550-L554 VanDerWaalsContact O-CG 3.32Å; L550-L554 WeakPolarHBondContact O-CG 3.19Å; L550-L554 PolarHBondContact O-N 3.44Å
555	Y	92.8	Very high	88.8	Confident	59 Å²	59	50.8 Å²	50.8	23%	0.231	28%	0.279	C	S	.	.	H	α-helix	trans	-129.7	0.6	-171.3	-45.5	-59.4	0	0	0	113	Y551 T557 R611 W612 Y613 F683	Y551-Y555 AromaticContact CD1-CD2 3.87Å; Y551-Y555 HydrophobicContact CD1-CD2 3.87Å; Y551-Y555 HydrophobicContact CD1-CE2 4.29Å; Y551-Y555 PolarHBondContact O-N 3.35Å; Y555-T557 PolarHBondContact O-N 3.13Å; Y555-R611 HydrophobicContact CD1-CB 3.44Å; Y555-R611 VanDerWaalsContact CD1-CB 3.44Å; Y555-R611 HydrophobicContact CE1-CB 3.74Å; Y555-R611 HydrophobicContact CE1-CG 4.46Å; Y555-R611 HydrophobicContact CG-CB 4Å; Y555-R611 PolarHBondContact OH-NH1 2.95Å; Y555-R611 VanDerWaalsContact OH-NH1 3.15Å; Y555-W612 CarbonylContact O-C 3.57Å; Y555-W612 WeakPolarHBondContact O-CA 3.38Å; Y555-Y613 PolarHBondContact O-N 3.02Å; Y555-F683 AromaticContact CD2-CE2 3.78Å; Y555-F683 HydrophobicContact CD2-CE2 3.78Å; Y555-F683 HydrophobicContact CE2-CE2 4.24Å; Y555-F683 HydrophobicContact CG-CE2 4.12Å
556	G	93.5	Very high	90.8	Very high	24 Å²	24	49.1 Å²	49.1	25%	0.247	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-61.8	130.6	-171.9	0	0	0	0	0	114.3	Y551 R552 Y613	Y551-G556 PolarHBondContact O-N 2.88Å; R552-G556 WeakPolarHBondContact O-CA 3.4Å; R552-G556 PolarHBondContact O-N 3.43Å; G556-Y613 CarbonylContact C-O 3.58Å; G556-Y613 WeakPolarHBondContact CA-O 3.24Å
557	T	94.9	Very high	92.3	Very high	33 Å²	33	42.5 Å²	42.5	20%	0.202	23%	0.233	C	C	.	.			trans	-136.2	155.4	170	-175.3	0	0	0	0	110.6	Y555 P559 L607 W612 Y613 W614 L732	Y555-T557 PolarHBondContact O-N 3.13Å; T557-P559 HydrophobicContact CG2-CG 4.3Å; T557-P559 WeakPolarHBondContact O-CD 3.17Å; T557-L607 HydrophobicContact CG2-CD2 4.2Å; T557-W612 HydrophobicContact CG2-CE3 3.98Å; T557-Y613 PolarHBondContact N-O 3.43Å; T557-W614 HydrophobicContact CG2-CB 4.23Å; T557-W614 WeakPolarHBondContact O-CB 3.28Å; T557-L732 VanDerWaalsContact O-CD1 3.31Å; T557-L732 WeakPolarHBondContact O-CD1 3.26Å
558	V	95.4	Very high	93.2	Very high	48 Å²	48	43 Å²	43	29%	0.291	24%	0.238	S	C	.	.			trans	-121.3	87.4	178	-178.9	0	0	0	0	108	A560 R577 V729 L732	V558-A560 PolarHBondContact O-N 2.96Å; V558-R577 HydrophobicContact CG1-CG 4.39Å; V558-V729 HydrophobicContact CG1-CG1 4.13Å; V558-L732 HydrophobicContact CG2-CB 4.41Å; V558-L732 HydrophobicContact CG2-CG 4.11Å
559	P	95.1	Very high	93.8	Very high	12 Å²	12	45.1 Å²	45.1	8%	0.078	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-63.7	122.1	-177.2	-24.4	34.7	0	0	0	112.7	T557 A603 W614 P718	T557-P559 HydrophobicContact CG2-CG 4.3Å; T557-P559 WeakPolarHBondContact O-CD 3.17Å; P559-A603 HydrophobicContact CB-CB 3.93Å; P559-W614 HydrophobicContact CG-CB 4.22Å; P559-W614 HydrophobicContact CG-CD2 4.34Å; P559-W614 HydrophobicContact CG-CG 3.96Å; P559-P718 HydrophobicContact CB-CB 4Å; P559-P718 HydrophobicContact CB-CG 3.94Å; P559-P718 HydrophobicContact CG-CB 4.06Å; P559-P718 HydrophobicContact CG-CG 3.73Å
560	A	96.6	Very high	94.3	Very high	41 Å²	41	41.8 Å²	41.8	34%	0.339	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-81.7	134.9	169.4	0	0	0	0	0	110.4	V558 A603 S604	V558-A560 PolarHBondContact O-N 2.96Å; A560-A603 CarbonylContact O-C 3.56Å; A560-A603 WeakPolarHBondContact O-CA 3.36Å; A560-A603 WeakPolarHBondContact O-CB 3.48Å; A560-S604 PolarHBondContact O-N 2.99Å; A560-S604 PolarHBondContact O-OG 3.33Å
561	L	97.7	Very high	94.9	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-79.7	143.3	-178.3	-57.1	172.4	0	0	0	111.8	L572 N576 V579 V601 L720	L561-L572 HydrophobicContact CB-CD1 4.11Å; L561-L572 HydrophobicContact CB-CD2 4.04Å; L561-L572 HydrophobicContact CD1-CD2 3.92Å; L561-N576 HydrophobicContact CB-CB 4.34Å; L561-N576 WeakPolarHBondContact CB-O 3.33Å; L561-N576 WeakPolarHBondContact CG-O 3.01Å; L561-N576 PolarHBondContact N-O 3.06Å; L561-N576 VanDerWaalsContact O-CB 3.28Å; L561-N576 WeakPolarHBondContact O-CB 3.47Å; L561-N576 PolarHBondContact O-ND2 3.49Å; L561-V579 HydrophobicContact CD1-CB 3.8Å; L561-V579 HydrophobicContact CD1-CG1 3.93Å; L561-V601 HydrophobicContact CB-CG2 4.06Å; L561-V601 HydrophobicContact CD1-CG1 4.3Å; L561-V601 HydrophobicContact CD2-CG1 4.25Å; L561-L720 HydrophobicContact CD1-CD1 3.93Å; L561-L720 HydrophobicContact CD2-CD1 3.87Å; L561-L720 HydrophobicContact CD2-CG 4.18Å
562	D	96.9	Very high	95.4	Very high	40 Å²	40	42.9 Å²	42.9	21%	0.214	24%	0.235	C	C	.	.			trans	-90.9	110.9	-176.6	-172.7	2.6	0	0	0	111.9	D564 T565 A566 V601 L602	D562-D564 PolarHBondContact O-N 3.38Å; D562-D564 VanDerWaalsContact O-N 3.15Å; D562-D564 WeakPolarHBondContact OD1-CB 3.22Å; D562-D564 PolarHBondContact OD1-N 3.24Å; D562-T565 HydrophobicContact CB-CG2 4.12Å; D562-T565 PolarHBondContact O-N 3.03Å; D562-T565 VanDerWaalsContact O-N 3.13Å; D562-T565 PolarHBondContact O-OG1 2.94Å; D562-T565 WeakPolarHBondContact OD2-CG2 3.38Å; D562-A566 PolarHBondContact O-N 3.09Å; D562-A566 VanDerWaalsContact O-N 3.07Å; D562-V601 WeakPolarHBondContact O-CG2 3.34Å; D562-L602 WeakPolarHBondContact CB-O 3.34Å; D562-L602 PolarHBondContact N-O 3Å
563	A	96.6	Very high	95.6	Very high	31 Å²	31	42.7 Å²	42.7	26%	0.256	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-21	173.9	0	0	0	0	0	112.9	L572 R594	A563-L572 HydrophobicContact CB-CD1 4.1Å; A563-R594 PolarHBondContact O-NH1 3.49Å; A563-R594 PolarHBondContact O-NH2 3.09Å
564	D	96.5	Very high	95.7	Very high	73 Å²	73	41.2 Å²	41.2	39%	0.39	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-5.2	179.4	-77.9	-27.9	0	0	0	114.9	D562 H591 A593 R594	D562-D564 PolarHBondContact O-N 3.38Å; D562-D564 VanDerWaalsContact O-N 3.15Å; D562-D564 WeakPolarHBondContact OD1-CB 3.22Å; D562-D564 PolarHBondContact OD1-N 3.24Å; D564-H591 PolarHBondContact O-ND1 3.36Å; D564-A593 CarbonylContact O-C 3.39Å; D564-R594 WeakPolarHBondContact O-CA 3.47Å; D564-R594 PolarHBondContact O-N 3.44Å; D564-R594 IonicContact OD1-NH2 3.63Å; D564-R594 PolarHBondContact OD1-NH2 2.76Å
565	T	97	Very high	95.8	Very high	6 Å²	6	40.1 Å²	40.1	4%	0.037	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-26.6	159.8	70.3	0	0	0	0	113.2	D562 H567 A593 R594 F595 L602	D562-T565 HydrophobicContact CB-CG2 4.12Å; D562-T565 PolarHBondContact O-N 3.03Å; D562-T565 VanDerWaalsContact O-N 3.13Å; D562-T565 PolarHBondContact O-OG1 2.94Å; D562-T565 WeakPolarHBondContact OD2-CG2 3.38Å; T565-H567 PolarHBondContact O-N 3.08Å; T565-A593 HydrophobicContact CG2-CB 4.06Å; T565-R594 WeakPolarHBondContact O-CA 3.32Å; T565-F595 WeakPolarHBondContact O-CD2 3.02Å; T565-F595 PolarHBondContact O-N 2.93Å; T565-L602 HydrophobicContact CG2-CB 4.14Å; T565-L602 HydrophobicContact CG2-CG 4.46Å; T565-L602 PolarHBondContact OG1-N 3.48Å
566	A	97.4	Very high	95.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.242	C	C	.	.			trans	-55.6	124.6	-170.8	0	0	0	0	0	113.7	D562 L572 Y588 R594 V601	D562-A566 PolarHBondContact O-N 3.09Å; D562-A566 VanDerWaalsContact O-N 3.07Å; A566-L572 HydrophobicContact CB-CD1 4.19Å; A566-L572 HydrophobicContact CB-CG 4.39Å; A566-Y588 HydrophobicContact CB-CE2 3.97Å; A566-R594 WeakPolarHBondContact O-CG 3.44Å; A566-R594 PolarHBondContact O-NH1 2.94Å; A566-V601 HydrophobicContact CB-CB 4.28Å; A566-V601 HydrophobicContact CB-CG2 3.86Å
567	H	97.1	Very high	96	Very high	25 Å²	25	42.4 Å²	42.4	12%	0.116	24%	0.243	C	C	.	.			trans	-60.9	141.4	174.4	176.2	-94.1	0	0	0	111.9	T565 K569 L570 F595 F598 Q600	T565-H567 PolarHBondContact O-N 3.08Å; H567-K569 PolarHBondContact ND1-N 2.89Å; H567-K569 VanDerWaalsContact ND1-N 3.15Å; H567-K569 PolarHBondContact O-N 3.16Å; H567-L570 HydrophobicContact CB-CD1 4.3Å; H567-L570 HydrophobicContact CB-CG 4.27Å; H567-L570 WeakPolarHBondContact O-CB 3.4Å; H567-L570 PolarHBondContact O-N 3.09Å; H567-F595 WeakPolarHBondContact CA-O 3.24Å; H567-F595 HydrophobicContact CB-CB 4.07Å; H567-F595 PolarHBondContact CD2-O 3.43Å; H567-F595 VanDerWaalsContact CD2-O 3.23Å; H567-F598 WeakPolarHBondContact CB-O 3.48Å; H567-F598 PolarHBondContact CD2-O 3.32Å; H567-F598 VanDerWaalsContact CG-O 3.28Å; H567-Q600 PolarHBondContact N-O 3.34Å; H567-Q600 VanDerWaalsContact N-O 3.09Å
568	P	96.4	Very high	96.1	Very high	41 Å²	41	43.3 Å²	43.3	27%	0.266	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-20.1	-174.7	-29.1	36.2	0	0	0	117.1	L570 P585 Q586	P568-L570 VanDerWaalsContact C-N 3.3Å; P568-P585 CarbonylContact O-C 3.56Å; P568-P585 WeakPolarHBondContact O-CA 3.43Å; P568-Q586 PolarHBondContact O-N 3.45Å
569	K	96.9	Very high	96.2	Very high	65 Å²	65	41 Å²	41	28%	0.283	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	8.8	170.8	-73.5	-157.4	167.7	-164.8	0	115	H567 Y581 S582 E583	H567-K569 PolarHBondContact ND1-N 2.89Å; H567-K569 VanDerWaalsContact ND1-N 3.15Å; H567-K569 PolarHBondContact O-N 3.16Å; K569-Y581 HydrophobicContact CB-CD2 4.37Å; K569-Y581 HydrophobicContact CB-CE2 4Å; K569-Y581 HydrophobicContact CD-CE2 3.86Å; K569-Y581 WeakPolarHBondContact CD-OH 3.34Å; K569-Y581 PolarHBondContact NZ-OH 2.84Å; K569-S582 WeakPolarHBondContact CB-O 3.22Å; K569-S582 PolarHBondContact O-N 2.98Å; K569-E583 IonicContact NZ-OE2 3.41Å; K569-E583 PolarHBondContact NZ-OE2 3.13Å
570	L	97.6	Very high	96.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.6	176.1	-63.4	-174.7	0	0	0	109.9	H567 P568 V579 A580 Q586 Y588 P599 Q600 V601 V722	H567-L570 HydrophobicContact CB-CD1 4.3Å; H567-L570 HydrophobicContact CB-CG 4.27Å; H567-L570 WeakPolarHBondContact O-CB 3.4Å; H567-L570 PolarHBondContact O-N 3.09Å; P568-L570 VanDerWaalsContact C-N 3.3Å; L570-V579 HydrophobicContact CB-CG2 4Å; L570-V579 HydrophobicContact CD1-CG2 3.92Å; L570-V579 HydrophobicContact CD2-CG2 3.95Å; L570-V579 HydrophobicContact CG-CG2 4.18Å; L570-A580 WeakPolarHBondContact CA-O 3.41Å; L570-Q586 VanDerWaalsContact O-CG 3.29Å; L570-Q586 WeakPolarHBondContact O-CG 3.36Å; L570-Y588 VanDerWaalsContact O-CE2 3.22Å; L570-Y588 WeakPolarHBondContact O-CE2 3.43Å; L570-Y588 PolarHBondContact O-OH 3.44Å; L570-Y588 VanDerWaalsContact O-OH 3.05Å; L570-P599 HydrophobicContact CD2-CB 3.89Å; L570-P599 HydrophobicContact CG-CB 4.27Å; L570-Q600 VanDerWaalsContact CD1-C 3.43Å; L570-Q600 WeakPolarHBondContact CD1-O 3.43Å; L570-V601 HydrophobicContact CD1-CB 3.97Å; L570-V601 HydrophobicContact CD1-CG1 4.05Å; L570-V722 HydrophobicContact CD2-CG2 3.34Å
571	Q	97.2	Very high	96.3	Very high	94 Å²	94	42 Å²	42	44%	0.439	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	122	169.5	-173.4	178.7	2.5	0	0	108.7	V579 A580 Q586	Q571-V579 WeakPolarHBondContact O-CA 3.37Å; Q571-A580 PolarHBondContact N-O 2.81Å; Q571-A580 PolarHBondContact O-N 2.78Å; Q571-Q586 HydrophobicContact CB-CG 4.25Å
572	L	97	Very high	96.2	Very high	21 Å²	21	42.9 Å²	42.9	11%	0.11	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	142.3	170.7	-59.7	-173.7	0	0	0	110.8	L561 A563 A566 N576 K578 V579 Y588 V601	L561-L572 HydrophobicContact CB-CD1 4.11Å; L561-L572 HydrophobicContact CB-CD2 4.04Å; L561-L572 HydrophobicContact CD1-CD2 3.92Å; A563-L572 HydrophobicContact CB-CD1 4.1Å; A566-L572 HydrophobicContact CB-CD1 4.19Å; A566-L572 HydrophobicContact CB-CG 4.39Å; L572-N576 HydrophobicContact CD1-CB 4.41Å; L572-K578 WeakPolarHBondContact CA-O 3.34Å; L572-V579 HydrophobicContact CD2-CB 3.82Å; L572-V579 HydrophobicContact CD2-CG2 3.88Å; L572-Y588 PolarHBondContact N-OH 3.49Å; L572-V601 HydrophobicContact CD2-CG2 4.41Å
573	S	95.8	Very high	96	Very high	43 Å²	43	46 Å²	46	30%	0.301	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	-177.9	177.2	63.3	0	0	0	0	111.8	A575 N576 R577 K578	S573-A575 PolarHBondContact O-N 2.95Å; S573-N576 CarbonylContact O-C 3.56Å; S573-N576 WeakPolarHBondContact O-CA 3.44Å; S573-N576 PolarHBondContact O-N 2.71Å; S573-N576 VanDerWaalsContact O-N 3.07Å; S573-R577 PolarHBondContact O-N 2.65Å; S573-K578 PolarHBondContact N-O 2.57Å; S573-K578 PolarHBondContact O-N 3.18Å
574	E	92.2	Very high	95.8	Very high	94 Å²	94	47.8 Å²	47.8	44%	0.439	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	54.5	179.1	-65.3	170.4	-160.4	0	0	112.6	N576 R577 K578	E574-N576 VanDerWaalsContact C-N 3.31Å; E574-N576 PolarHBondContact O-N 3.39Å; E574-R577 WeakPolarHBondContact O-CB 3.29Å; E574-R577 WeakPolarHBondContact O-CG 3.39Å; E574-R577 PolarHBondContact O-N 2.86Å; E574-R577 VanDerWaalsContact O-N 3.07Å; E574-K578 HydrophobicContact CB-CB 4.01Å; E574-K578 HydrophobicContact CG-CB 4.28Å; E574-K578 HydrophobicContact CG-CD 4.14Å; E574-K578 WeakPolarHBondContact OE1-CD 3.35Å; E574-K578 WeakPolarHBondContact OE1-CE 3.38Å; E574-K578 IonicContact OE1-NZ 3.55Å; E574-K578 PolarHBondContact OE1-NZ 3.02Å; E574-K578 WeakPolarHBondContact OE2-CD 3.47Å; E574-K578 IonicContact OE2-NZ 2.71Å
575	A	92	Very high	95.7	Very high	90 Å²	90	49.1 Å²	49.1	74%	0.744	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	43.3	-173.1	0	0	0	0	0	113.3	S573 R577	S573-A575 PolarHBondContact O-N 2.95Å; A575-R577 PolarHBondContact O-N 2.99Å
576	N	94.4	Very high	95.5	Very high	58 Å²	58	50.9 Å²	50.9	31%	0.31	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	24.3	-173.8	-61.7	2.5	0	0	0	114.7	L561 L572 S573 E574	L561-N576 HydrophobicContact CB-CB 4.34Å; L561-N576 WeakPolarHBondContact CB-O 3.33Å; L561-N576 WeakPolarHBondContact CG-O 3.01Å; L561-N576 PolarHBondContact N-O 3.06Å; L561-N576 VanDerWaalsContact O-CB 3.28Å; L561-N576 WeakPolarHBondContact O-CB 3.47Å; L561-N576 PolarHBondContact O-ND2 3.49Å; L572-N576 HydrophobicContact CD1-CB 4.41Å; S573-N576 CarbonylContact O-C 3.56Å; S573-N576 WeakPolarHBondContact O-CA 3.44Å; S573-N576 PolarHBondContact O-N 2.71Å; S573-N576 VanDerWaalsContact O-N 3.07Å; E574-N576 VanDerWaalsContact C-N 3.31Å; E574-N576 PolarHBondContact O-N 3.39Å
577	R	95.1	Very high	95.3	Very high	73 Å²	73	56.2 Å²	56.2	28%	0.275	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-23.7	170	-61.3	-168.3	-64.6	-174.3	3.2	112.7	V558 S573 E574 A575 V729 D731	V558-R577 HydrophobicContact CG1-CG 4.39Å; S573-R577 PolarHBondContact O-N 2.65Å; E574-R577 WeakPolarHBondContact O-CB 3.29Å; E574-R577 WeakPolarHBondContact O-CG 3.39Å; E574-R577 PolarHBondContact O-N 2.86Å; E574-R577 VanDerWaalsContact O-N 3.07Å; A575-R577 PolarHBondContact O-N 2.99Å; R577-V729 HydrophobicContact CB-CB 4.29Å; R577-V729 PolarHBondContact O-N 3.29Å; R577-D731 IonicContact CZ-OD2 3.39Å; R577-D731 IonicContact NH1-OD2 3.81Å; R577-D731 PolarHBondContact NH1-OD2 3.36Å; R577-D731 IonicContact NH2-OD2 2.65Å
578	K	96.6	Very high	95.1	Very high	51 Å²	51	58 Å²	58	22%	0.222	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	140.8	-178.9	-175.1	164.7	-175.7	167.1	0	111.5	L572 S573 E574 L727 T728	L572-K578 WeakPolarHBondContact CA-O 3.34Å; S573-K578 PolarHBondContact N-O 2.57Å; S573-K578 PolarHBondContact O-N 3.18Å; E574-K578 HydrophobicContact CB-CB 4.01Å; E574-K578 HydrophobicContact CG-CB 4.28Å; E574-K578 HydrophobicContact CG-CD 4.14Å; E574-K578 WeakPolarHBondContact OE1-CD 3.35Å; E574-K578 WeakPolarHBondContact OE1-CE 3.38Å; E574-K578 IonicContact OE1-NZ 3.55Å; E574-K578 PolarHBondContact OE1-NZ 3.02Å; E574-K578 WeakPolarHBondContact OE2-CD 3.47Å; E574-K578 IonicContact OE2-NZ 2.71Å; K578-L727 WeakPolarHBondContact CA-O 3.43Å; K578-T728 HydrophobicContact CB-CG2 4.35Å; K578-T728 WeakPolarHBondContact CD-OG1 3.36Å; K578-T728 WeakPolarHBondContact CG-OG1 3.44Å
579	V	97.4	Very high	94.9	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.006	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	122.6	173.8	58.4	0	0	0	0	109.7	L561 L570 Q571 L572 V601 L720 V722 H726 L727	L561-V579 HydrophobicContact CD1-CB 3.8Å; L561-V579 HydrophobicContact CD1-CG1 3.93Å; L570-V579 HydrophobicContact CB-CG2 4Å; L570-V579 HydrophobicContact CD1-CG2 3.92Å; L570-V579 HydrophobicContact CD2-CG2 3.95Å; L570-V579 HydrophobicContact CG-CG2 4.18Å; Q571-V579 WeakPolarHBondContact O-CA 3.37Å; L572-V579 HydrophobicContact CD2-CB 3.82Å; L572-V579 HydrophobicContact CD2-CG2 3.88Å; V579-V601 HydrophobicContact CG2-CG1 4.13Å; V579-L720 HydrophobicContact CG1-CB 4.27Å; V579-L720 HydrophobicContact CG1-CD1 3.74Å; V579-V722 HydrophobicContact CG1-CG1 4.39Å; V579-V722 HydrophobicContact CG2-CG2 3.93Å; V579-H726 CarbonylContact O-C 3.58Å; V579-H726 VanDerWaalsContact O-CA 3.22Å; V579-H726 WeakPolarHBondContact O-CA 3.24Å; V579-H726 WeakPolarHBondContact O-CB 3.35Å; V579-L727 HydrophobicContact CG1-CB 4Å; V579-L727 PolarHBondContact N-O 3.46Å; V579-L727 PolarHBondContact O-N 3.01Å
580	A	97.1	Very high	94.6	Very high	27 Å²	27	63.3 Å²	63.3	22%	0.223	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	143.9	175.6	0	0	0	0	0	110.5	L570 Q571 H726	L570-A580 WeakPolarHBondContact CA-O 3.41Å; Q571-A580 PolarHBondContact N-O 2.81Å; Q571-A580 PolarHBondContact O-N 2.78Å; A580-H726 HydrophobicContact CB-CB 3.94Å
581	Y	96.8	Very high	94.4	Very high	45 Å²	45	67 Å²	67	18%	0.176	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	129.1	170.4	176.2	-89.6	0	0	0	110.7	K569 E583 P599 K724 T725	K569-Y581 HydrophobicContact CB-CD2 4.37Å; K569-Y581 HydrophobicContact CB-CE2 4Å; K569-Y581 HydrophobicContact CD-CE2 3.86Å; K569-Y581 WeakPolarHBondContact CD-OH 3.34Å; K569-Y581 PolarHBondContact NZ-OH 2.84Å; Y581-E583 VanDerWaalsContact CE1-CD 3.46Å; Y581-E583 HydrophobicContact CE1-CG 4.05Å; Y581-E583 WeakPolarHBondContact CE1-OE1 3.35Å; Y581-E583 VanDerWaalsContact OH-CD 3.29Å; Y581-E583 PolarHBondContact OH-OE1 2.61Å; Y581-E583 PolarHBondContact OH-OE2 2.83Å; Y581-P599 HydrophobicContact CD2-CB 4.21Å; Y581-P599 HydrophobicContact CE2-CB 4.44Å; Y581-K724 HydrophobicContact CD1-CG 4.38Å; Y581-K724 VanDerWaalsContact CD1-N 3.27Å; Y581-K724 HydrophobicContact CE1-CG 4.24Å; Y581-K724 VanDerWaalsContact CG-N 3.3Å; Y581-T725 PolarHBondContact N-O 2.67Å
582	S	95.7	Very high	94.2	Very high	22 Å²	22	70.7 Å²	70.7	15%	0.154	40%	0.404	C	S	.	.			trans	-114.8	145.6	169.4	-174.5	0	0	0	0	111.1	K569 S584	K569-S582 WeakPolarHBondContact CB-O 3.22Å; K569-S582 PolarHBondContact O-N 2.98Å; S582-S584 VanDerWaalsContact C-N 3.35Å; S582-S584 PolarHBondContact OG-N 2.94Å; S582-S584 VanDerWaalsContact OG-N 3.07Å; S582-S584 PolarHBondContact OG-O 2.96Å; S582-S584 PolarHBondContact OG-OG 2.87Å
583	E	92.7	Very high	94.1	Very high	106 Å²	106	71 Å²	71	50%	0.495	41%	0.41	S	S	.	.	S	Bend	trans	-75.8	-25.4	167.1	-64.1	-66.3	-177	0	0	112.2	K569 Y581	K569-E583 IonicContact NZ-OE2 3.41Å; K569-E583 PolarHBondContact NZ-OE2 3.13Å; Y581-E583 VanDerWaalsContact CE1-CD 3.46Å; Y581-E583 HydrophobicContact CE1-CG 4.05Å; Y581-E583 WeakPolarHBondContact CE1-OE1 3.35Å; Y581-E583 VanDerWaalsContact OH-CD 3.29Å; Y581-E583 PolarHBondContact OH-OE1 2.61Å; Y581-E583 PolarHBondContact OH-OE2 2.83Å
584	S	93.9	Very high	94.1	Very high	68 Å²	68	69.3 Å²	69.3	48%	0.476	40%	0.397	S	S	.	.	S	Bend	trans	-82.3	130.3	173.4	60.1	0	0	0	0	111.5	S582 Q586	S582-S584 VanDerWaalsContact C-N 3.35Å; S582-S584 PolarHBondContact OG-N 2.94Å; S582-S584 VanDerWaalsContact OG-N 3.07Å; S582-S584 PolarHBondContact OG-O 2.96Å; S582-S584 PolarHBondContact OG-OG 2.87Å; S584-Q586 PolarHBondContact O-N 3.27Å; S584-Q586 PolarHBondContact O-NE2 3.23Å
585	P	92.8	Very high	94.3	Very high	101 Å²	101	65 Å²	65	66%	0.656	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-61.1	132.6	171.9	-22.9	34.2	0	0	0	111.8	P568	P568-P585 CarbonylContact O-C 3.56Å; P568-P585 WeakPolarHBondContact O-CA 3.43Å
586	Q	93.2	Very high	94.3	Very high	43 Å²	43	63.5 Å²	63.5	20%	0.201	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-80.4	147.2	173.7	-54.4	-54.2	-76	0	0	110.5	P568 L570 Q571 S584 Y588	P568-Q586 PolarHBondContact O-N 3.45Å; L570-Q586 VanDerWaalsContact O-CG 3.29Å; L570-Q586 WeakPolarHBondContact O-CG 3.36Å; Q571-Q586 HydrophobicContact CB-CG 4.25Å; S584-Q586 PolarHBondContact O-N 3.27Å; S584-Q586 PolarHBondContact O-NE2 3.23Å; Q586-Y588 HydrophobicContact CB-CD2 4.02Å; Q586-Y588 HydrophobicContact CB-CE1 4.47Å; Q586-Y588 HydrophobicContact CB-CE2 3.76Å; Q586-Y588 HydrophobicContact CB-CG 4.48Å; Q586-Y588 HydrophobicContact CG-CE2 4.29Å; Q586-Y588 PolarHBondContact O-N 3.29Å
587	A	93.1	Very high	94.1	Very high	112 Å²	112	62.2 Å²	62.2	93%	0.926	36%	0.357	S	S	*	.			trans	-79.1	50.6	-174.9	0	0	0	0	0	113.6
588	Y	92.6	Very high	94.1	Very high	64 Å²	64	60.7 Å²	60.7	25%	0.251	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-78.3	140.4	173.7	-58.3	-46.6	0	0	0	111.5	A566 L570 L572 Q586	A566-Y588 HydrophobicContact CB-CE2 3.97Å; L570-Y588 VanDerWaalsContact O-CE2 3.22Å; L570-Y588 WeakPolarHBondContact O-CE2 3.43Å; L570-Y588 PolarHBondContact O-OH 3.44Å; L570-Y588 VanDerWaalsContact O-OH 3.05Å; L572-Y588 PolarHBondContact N-OH 3.49Å; Q586-Y588 HydrophobicContact CB-CD2 4.02Å; Q586-Y588 HydrophobicContact CB-CE1 4.47Å; Q586-Y588 HydrophobicContact CB-CE2 3.76Å; Q586-Y588 HydrophobicContact CB-CG 4.48Å; Q586-Y588 HydrophobicContact CG-CE2 4.29Å; Q586-Y588 PolarHBondContact O-N 3.29Å
589	A	92.2	Very high	94	Very high	73 Å²	73	59.5 Å²	59.5	60%	0.603	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-63.1	147.2	171.8	0	0	0	0	0	111.1	R594	A589-R594 PolarHBondContact O-NE 3.43Å; A589-R594 PolarHBondContact O-NH2 3.04Å
590	D	90.7	Very high	94	Very high	143 Å²	143	59.7 Å²	59.7	77%	0.765	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-66.7	141.3	174.2	-169.9	27.8	0	0	0	110.7	K637	D590-K637 IonicContact OD1-NZ 2.72Å
591	H	94.1	Very high	94	Very high	77 Å²	77	58.4 Å²	58.4	36%	0.356	34%	0.339	S	S	.	.			trans	-153.4	147.5	-173	-174.4	-118.8	0	0	0	111	D564 A593 R594 K637	D564-H591 PolarHBondContact O-ND1 3.36Å; H591-A593 VanDerWaalsContact C-N 3.34Å; H591-A593 PolarHBondContact ND1-N 3.4Å; H591-A593 PolarHBondContact O-N 3.3Å; H591-R594 HydrophobicContact CB-CB 4.23Å; H591-R594 VanDerWaalsContact O-CB 3.3Å; H591-R594 WeakPolarHBondContact O-CB 3.24Å; H591-R594 PolarHBondContact O-N 3.31Å; H591-K637 PolarHBondContact O-NZ 3.38Å
592	Q	93.8	Very high	94.1	Very high	172 Å²	172	56.4 Å²	56.4	80%	0.804	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-38.5	-175.9	-170.5	176.2	1.1	0	0	112	R594	Q592-R594 VanDerWaalsContact C-N 3.26Å; Q592-R594 PolarHBondContact O-N 3.28Å
593	A	94.2	Very high	94.2	Very high	27 Å²	27	55.5 Å²	55.5	22%	0.223	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-12.1	179.2	0	0	0	0	0	114.1	D564 T565 H591 F595 R636	D564-A593 CarbonylContact O-C 3.39Å; T565-A593 HydrophobicContact CG2-CB 4.06Å; H591-A593 VanDerWaalsContact C-N 3.34Å; H591-A593 PolarHBondContact ND1-N 3.4Å; H591-A593 PolarHBondContact O-N 3.3Å; A593-F595 PolarHBondContact O-N 2.82Å; A593-R636 WeakPolarHBondContact O-CD 3.31Å
594	R	95.9	Very high	94.3	Very high	8 Å²	8	53.5 Å²	53.5	3%	0.03	32%	0.323	C	S	.	.			trans	-69.6	121.5	-174.3	-172.9	172.5	-51.8	-57	-7.5	112.4	A563 D564 T565 A566 A589 H591 Q592 S596 K637	A563-R594 PolarHBondContact O-NH1 3.49Å; A563-R594 PolarHBondContact O-NH2 3.09Å; D564-R594 WeakPolarHBondContact O-CA 3.47Å; D564-R594 PolarHBondContact O-N 3.44Å; D564-R594 IonicContact OD1-NH2 3.63Å; D564-R594 PolarHBondContact OD1-NH2 2.76Å; T565-R594 WeakPolarHBondContact O-CA 3.32Å; A566-R594 WeakPolarHBondContact O-CG 3.44Å; A566-R594 PolarHBondContact O-NH1 2.94Å; A589-R594 PolarHBondContact O-NE 3.43Å; A589-R594 PolarHBondContact O-NH2 3.04Å; H591-R594 HydrophobicContact CB-CB 4.23Å; H591-R594 VanDerWaalsContact O-CB 3.3Å; H591-R594 WeakPolarHBondContact O-CB 3.24Å; H591-R594 PolarHBondContact O-N 3.31Å; Q592-R594 VanDerWaalsContact C-N 3.26Å; Q592-R594 PolarHBondContact O-N 3.28Å; R594-S596 PolarHBondContact O-N 2.89Å; R594-K637 WeakPolarHBondContact O-CE 3.49Å; R594-K637 PolarHBondContact O-NZ 3.36Å
595	F	96	Very high	94.4	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.018	33%	0.328	C	S	.	.			trans	-61.6	127.9	171.8	-72.3	-69.8	0	0	0	110.8	T565 H567 A593 Q600 L602 I634 E635 R636	T565-F595 WeakPolarHBondContact O-CD2 3.02Å; T565-F595 PolarHBondContact O-N 2.93Å; H567-F595 WeakPolarHBondContact CA-O 3.24Å; H567-F595 HydrophobicContact CB-CB 4.07Å; H567-F595 PolarHBondContact CD2-O 3.43Å; H567-F595 VanDerWaalsContact CD2-O 3.23Å; A593-F595 PolarHBondContact O-N 2.82Å; F595-Q600 HydrophobicContact CD1-CB 4.47Å; F595-Q600 HydrophobicContact CD2-CB 3.76Å; F595-Q600 WeakPolarHBondContact CD2-O 3.31Å; F595-Q600 HydrophobicContact CE2-CB 3.96Å; F595-Q600 HydrophobicContact CG-CB 4.03Å; F595-Q600 HydrophobicContact CZ-CB 4.41Å; F595-L602 HydrophobicContact CE2-CD2 4.39Å; F595-L602 HydrophobicContact CE2-CG 4.1Å; F595-L602 HydrophobicContact CZ-CD2 4.49Å; F595-L602 HydrophobicContact CZ-CG 4.43Å; F595-I634 HydrophobicContact CE1-CD1 4.39Å; F595-I634 HydrophobicContact CE1-CG1 4.41Å; F595-I634 HydrophobicContact CE1-CG2 4.23Å; F595-I634 HydrophobicContact CZ-CD1 4.45Å; F595-I634 HydrophobicContact CZ-CG2 3.96Å; F595-E635 WeakPolarHBondContact CE1-O 3.35Å; F595-R636 CarbonylContact C-O 3.6Å; F595-R636 VanDerWaalsContact CA-O 3.25Å; F595-R636 WeakPolarHBondContact CA-O 3.13Å
596	S	92.3	Very high	94.6	Very high	58 Å²	58	51.2 Å²	51.2	41%	0.406	31%	0.309	S	S	.	.	S	Bend	trans	-113.4	-5	-178	73.1	0	0	0	0	115.8	R594 R636 K637	R594-S596 PolarHBondContact O-N 2.89Å; S596-R636 PolarHBondContact N-O 3.14Å; S596-K637 WeakPolarHBondContact OG-CA 3.39Å; S596-K637 WeakPolarHBondContact OG-CD 3.35Å
597	S	90.4	Very high	94.8	Very high	32 Å²	32	49.6 Å²	49.6	22%	0.224	30%	0.301	C	S	.	.	S	Bend	trans	-127.8	-22	-170	-61.4	0	0	0	0	115.1	G638	S597-G638 VanDerWaalsContact CB-O 3.23Å; S597-G638 WeakPolarHBondContact CB-O 3.03Å; S597-G638 VanDerWaalsContact OG-C 3.26Å; S597-G638 WeakPolarHBondContact OG-CA 3.33Å; S597-G638 PolarHBondContact OG-N 2.78Å; S597-G638 VanDerWaalsContact OG-N 3.11Å; S597-G638 PolarHBondContact OG-O 2.89Å
598	F	93.8	Very high	94.8	Very high	41 Å²	41	50 Å²	50	18%	0.18	28%	0.284	C	S	.	.	S	Bend	trans	-133.4	142.6	176	-63.1	-65.9	0	0	0	109.8	H567 Q600 S643 R644	H567-F598 WeakPolarHBondContact CB-O 3.48Å; H567-F598 PolarHBondContact CD2-O 3.32Å; H567-F598 VanDerWaalsContact CG-O 3.28Å; F598-Q600 VanDerWaalsContact C-N 3.33Å; F598-Q600 HydrophobicContact CB-CG 3.88Å; F598-Q600 PolarHBondContact O-N 3.25Å; F598-S643 WeakPolarHBondContact CD2-OG 3.42Å; F598-S643 VanDerWaalsContact CE2-OG 3.27Å; F598-S643 WeakPolarHBondContact CE2-OG 3.44Å; F598-R644 HydrophobicContact CD1-CG 4.37Å; F598-R644 HydrophobicContact CD2-CB 3.85Å; F598-R644 HydrophobicContact CD2-CG 3.93Å; F598-R644 HydrophobicContact CE1-CG 4.29Å; F598-R644 HydrophobicContact CE2-CB 3.63Å; F598-R644 HydrophobicContact CE2-CG 3.85Å; F598-R644 HydrophobicContact CG-CG 4.21Å; F598-R644 HydrophobicContact CZ-CB 4.22Å; F598-R644 HydrophobicContact CZ-CG 4.04Å
599	P	95.7	Very high	94.8	Very high	25 Å²	25	48.7 Å²	48.7	16%	0.162	29%	0.29	C	S	.	.	S	Bend	trans	-73.1	86	180	31.6	-35.4	0	0	0	110.7	L570 Y581 S721 V722	L570-P599 HydrophobicContact CD2-CB 3.89Å; L570-P599 HydrophobicContact CG-CB 4.27Å; Y581-P599 HydrophobicContact CD2-CB 4.21Å; Y581-P599 HydrophobicContact CE2-CB 4.44Å; P599-S721 VanDerWaalsContact O-CA 3.3Å; P599-S721 WeakPolarHBondContact O-CA 3.49Å; P599-S721 WeakPolarHBondContact O-CB 3.31Å; P599-S721 PolarHBondContact O-OG 3.18Å; P599-V722 VanDerWaalsContact CB-O 3.31Å; P599-V722 WeakPolarHBondContact CB-O 3.44Å; P599-V722 WeakPolarHBondContact CG-O 3.35Å; P599-V722 PolarHBondContact O-N 2.58Å
600	Q	97	Very high	94.8	Very high	5 Å²	5	46.7 Å²	46.7	2%	0.023	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	156.9	-173.8	-57	176.8	147.8	0	0	111	H567 L570 F595 F598 S643 L720	H567-Q600 PolarHBondContact N-O 3.34Å; H567-Q600 VanDerWaalsContact N-O 3.09Å; L570-Q600 VanDerWaalsContact CD1-C 3.43Å; L570-Q600 WeakPolarHBondContact CD1-O 3.43Å; F595-Q600 HydrophobicContact CD1-CB 4.47Å; F595-Q600 HydrophobicContact CD2-CB 3.76Å; F595-Q600 WeakPolarHBondContact CD2-O 3.31Å; F595-Q600 HydrophobicContact CE2-CB 3.96Å; F595-Q600 HydrophobicContact CG-CB 4.03Å; F595-Q600 HydrophobicContact CZ-CB 4.41Å; F598-Q600 VanDerWaalsContact C-N 3.33Å; F598-Q600 HydrophobicContact CB-CG 3.88Å; F598-Q600 PolarHBondContact O-N 3.25Å; Q600-S643 PolarHBondContact NE2-O 3.16Å; Q600-L720 WeakPolarHBondContact CA-O 3.32Å
601	V	97.9	Very high	95	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	146	177.2	60.8	0	0	0	0	109.8	L561 D562 A566 L570 L572 V579 L720	L561-V601 HydrophobicContact CB-CG2 4.06Å; L561-V601 HydrophobicContact CD1-CG1 4.3Å; L561-V601 HydrophobicContact CD2-CG1 4.25Å; D562-V601 WeakPolarHBondContact O-CG2 3.34Å; A566-V601 HydrophobicContact CB-CB 4.28Å; A566-V601 HydrophobicContact CB-CG2 3.86Å; L570-V601 HydrophobicContact CD1-CB 3.97Å; L570-V601 HydrophobicContact CD1-CG1 4.05Å; L572-V601 HydrophobicContact CD2-CG2 4.41Å; V579-V601 HydrophobicContact CG2-CG1 4.13Å; V601-L720 HydrophobicContact CG1-CB 4.02Å; V601-L720 PolarHBondContact N-O 3.38Å; V601-L720 PolarHBondContact O-N 3.48Å
602	L	97.9	Very high	95.1	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	163.4	169.3	-61.4	-169.9	0	0	0	110.8	D562 T565 F595 Y717 P718 A719	D562-L602 WeakPolarHBondContact CB-O 3.34Å; D562-L602 PolarHBondContact N-O 3Å; T565-L602 HydrophobicContact CG2-CB 4.14Å; T565-L602 HydrophobicContact CG2-CG 4.46Å; T565-L602 PolarHBondContact OG1-N 3.48Å; F595-L602 HydrophobicContact CE2-CD2 4.39Å; F595-L602 HydrophobicContact CE2-CG 4.1Å; F595-L602 HydrophobicContact CZ-CD2 4.49Å; F595-L602 HydrophobicContact CZ-CG 4.43Å; L602-Y717 HydrophobicContact CD1-CD2 4.47Å; L602-Y717 HydrophobicContact CD1-CG 4.09Å; L602-P718 CarbonylContact C-O 3.59Å; L602-P718 WeakPolarHBondContact CA-O 3.33Å; L602-A719 HydrophobicContact CD2-CB 3.47Å; L602-A719 VanDerWaalsContact CD2-CB 3.47Å
603	A	97.6	Very high	95.2	Very high	2 Å²	2	36 Å²	36	2%	0.017	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-66.5	156.2	162.1	0	0	0	0	0	112	P559 A560 Y717 P718	P559-A603 HydrophobicContact CB-CB 3.93Å; A560-A603 CarbonylContact O-C 3.56Å; A560-A603 WeakPolarHBondContact O-CA 3.36Å; A560-A603 WeakPolarHBondContact O-CB 3.48Å; A603-Y717 WeakPolarHBondContact O-CD1 3.26Å; A603-P718 HydrophobicContact CB-CB 4.06Å; A603-P718 HydrophobicContact CB-CG 4.23Å; A603-P718 PolarHBondContact N-O 3.09Å
604	S	96.3	Very high	95.3	Very high	64 Å²	64	34.8 Å²	34.8	45%	0.448	21%	0.205	S	C	.	.	S	Bend	trans	-73.3	-29.5	177.3	54.9	0	0	0	0	113.6	A560	A560-S604 PolarHBondContact O-N 2.99Å; A560-S604 PolarHBondContact O-OG 3.33Å
605	S	95.6	Very high	95.3	Very high	82 Å²	82	34.5 Å²	34.5	57%	0.573	20%	0.204	S	C	*	.	S	Bend	trans	-112.2	133.7	178.9	-65.1	0	0	0	0	111.3
606	P	96.4	Very high	95.4	Very high	39 Å²	39	34.3 Å²	34.3	25%	0.253	20%	0.203	S	C	.	.			trans	-77.3	150.6	170.2	30.9	-32.3	0	0	0	112	Q608 P715 Y717	P606-Q608 HydrophobicContact CB-CG 4.42Å; P606-Q608 HydrophobicContact CG-CG 4.43Å; P606-P715 HydrophobicContact CB-CB 3.75Å; P606-P715 HydrophobicContact CG-CB 4.27Å; P606-Y717 HydrophobicContact CB-CD1 4.05Å; P606-Y717 HydrophobicContact CB-CD2 4.11Å; P606-Y717 HydrophobicContact CB-CE1 3.78Å; P606-Y717 HydrophobicContact CB-CE2 3.81Å; P606-Y717 HydrophobicContact CB-CG 4.22Å; P606-Y717 HydrophobicContact CG-CE1 4.03Å; P606-Y717 HydrophobicContact CG-CE2 4.46Å
607	L	96.8	Very high	95.5	Very high	9 Å²	9	33.9 Å²	33.9	5%	0.047	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-82.8	136.8	163.6	-50.6	178.7	0	0	0	108.8	T557 W612 W614 L629 L684 F686 L716 P718	T557-L607 HydrophobicContact CG2-CD2 4.2Å; L607-W612 HydrophobicContact CB-CD2 4.32Å; L607-W612 HydrophobicContact CB-CG 4.13Å; L607-W612 HydrophobicContact CD1-CB 3.89Å; L607-W612 HydrophobicContact CD1-CG 4.01Å; L607-W612 HydrophobicContact CD2-CB 4.49Å; L607-W612 HydrophobicContact CD2-CD2 3.79Å; L607-W612 HydrophobicContact CD2-CE3 3.89Å; L607-W612 HydrophobicContact CD2-CG 4.06Å; L607-W612 HydrophobicContact CD2-CZ3 4.44Å; L607-W612 HydrophobicContact CG-CD2 4.44Å; L607-W612 HydrophobicContact CG-CG 4.28Å; L607-W614 HydrophobicContact CD1-CE3 4.12Å; L607-W614 HydrophobicContact CD1-CH2 4.2Å; L607-W614 HydrophobicContact CD1-CZ3 3.63Å; L607-L629 HydrophobicContact CD1-CD2 4.22Å; L607-L684 HydrophobicContact CB-CD2 4.13Å; L607-L684 HydrophobicContact CD1-CD2 3.93Å; L607-F686 HydrophobicContact CB-CE2 4.28Å; L607-F686 WeakPolarHBondContact O-CZ 3.47Å; L607-L716 WeakPolarHBondContact CB-O 3.45Å; L607-L716 PolarHBondContact N-O 3.17Å; L607-L716 PolarHBondContact O-N 3.22Å; L607-P718 HydrophobicContact CD1-CG 3.94Å; L607-P718 HydrophobicContact CG-CG 4.16Å
608	Q	94.4	Very high	95.7	Very high	121 Å²	121	32.7 Å²	32.7	57%	0.565	19%	0.191	S	C	*	.			trans	-145	116	-177.1	-62.6	-172.7	18.7	0	0	111.2	P606 P715	P606-Q608 HydrophobicContact CB-CG 4.42Å; P606-Q608 HydrophobicContact CG-CG 4.43Å; Q608-P715 HydrophobicContact CG-CB 3.78Å; Q608-P715 HydrophobicContact CG-CG 4.02Å
609	G	91.8	Very high	95.2	Very high	37 Å²	37	32.1 Å²	32.1	38%	0.381	19%	0.192	S	C	.	.	S	Bend	trans	68.9	169.4	177	0	0	0	0	0	114.5	W612 F686	G609-W612 PolarHBondContact O-NE1 3.02Å; G609-F686 VanDerWaalsContact C-CD2 3.4Å; G609-F686 VanDerWaalsContact O-CD2 3.29Å; G609-F686 WeakPolarHBondContact O-CD2 3.39Å
610	G	92.8	Very high	94.6	Very high	30 Å²	30	35 Å²	35	31%	0.309	21%	0.209	S	C	.	.	S	Bend	trans	62.1	-140.6	178.4	0	0	0	0	0	114	F686	G610-F686 WeakPolarHBondContact O-CB 3.45Å; G610-F686 PolarHBondContact O-N 3.4Å
611	R	95	Very high	94.1	Very high	87 Å²	87	37.5 Å²	37.5	33%	0.328	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	139.9	-174.6	-83.9	164.4	-81.3	-179	-9.7	111.5	Y555 F683 L684 D685 E687	Y555-R611 HydrophobicContact CD1-CB 3.44Å; Y555-R611 VanDerWaalsContact CD1-CB 3.44Å; Y555-R611 HydrophobicContact CE1-CB 3.74Å; Y555-R611 HydrophobicContact CE1-CG 4.46Å; Y555-R611 HydrophobicContact CG-CB 4Å; Y555-R611 PolarHBondContact OH-NH1 2.95Å; Y555-R611 VanDerWaalsContact OH-NH1 3.15Å; R611-F683 HydrophobicContact CB-CE2 4.03Å; R611-F683 HydrophobicContact CB-CZ 4.22Å; R611-F683 HydrophobicContact CG-CE2 4.1Å; R611-F683 HydrophobicContact CG-CZ 3.76Å; R611-L684 CarbonylContact C-O 3.28Å; R611-L684 VanDerWaalsContact CA-O 3.32Å; R611-L684 WeakPolarHBondContact CA-O 3.32Å; R611-D685 WeakPolarHBondContact CD-OD2 3.21Å; R611-D685 HydrophobicContact CG-CB 3.97Å; R611-D685 VanDerWaalsContact CG-OD2 3.3Å; R611-D685 WeakPolarHBondContact CG-OD2 3.41Å; R611-E687 IonicContact CZ-OE1 3.81Å; R611-E687 IonicContact NE-OE1 3.79Å; R611-E687 PolarHBondContact NE-OE1 2.93Å; R611-E687 IonicContact NH2-OE1 3.66Å; R611-E687 PolarHBondContact NH2-OE1 3.24Å; R611-E687 IonicContact NH2-OE2 2.66Å; R611-E687 PolarHBondContact NH2-OE2 2.97Å
612	W	96.4	Very high	93.4	Very high	80 Å²	80	42.2 Å²	42.2	30%	0.303	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	142.6	-175.4	-55.9	89.7	0	0	0	111.4	Y555 T557 L607 G609 F683 L684 F686	Y555-W612 CarbonylContact O-C 3.57Å; Y555-W612 WeakPolarHBondContact O-CA 3.38Å; T557-W612 HydrophobicContact CG2-CE3 3.98Å; L607-W612 HydrophobicContact CB-CD2 4.32Å; L607-W612 HydrophobicContact CB-CG 4.13Å; L607-W612 HydrophobicContact CD1-CB 3.89Å; L607-W612 HydrophobicContact CD1-CG 4.01Å; L607-W612 HydrophobicContact CD2-CB 4.49Å; L607-W612 HydrophobicContact CD2-CD2 3.79Å; L607-W612 HydrophobicContact CD2-CE3 3.89Å; L607-W612 HydrophobicContact CD2-CG 4.06Å; L607-W612 HydrophobicContact CD2-CZ3 4.44Å; L607-W612 HydrophobicContact CG-CD2 4.44Å; L607-W612 HydrophobicContact CG-CG 4.28Å; G609-W612 PolarHBondContact O-NE1 3.02Å; W612-F683 CarbonylContact O-C 3.52Å; W612-F683 WeakPolarHBondContact O-CA 3.28Å; W612-F683 VanDerWaalsContact O-CD2 3.28Å; W612-F683 WeakPolarHBondContact O-CD2 3.49Å; W612-L684 HydrophobicContact CB-CB 4.49Å; W612-L684 PolarHBondContact N-O 3.18Å; W612-L684 PolarHBondContact O-N 2.81Å; W612-F686 AromaticContact CD1-CE2 3.74Å; W612-F686 AromaticContact NE1-CE2 3.8Å
613	Y	95.8	Very high	93	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	135.9	174.9	179.8	-103	0	0	0	110.7	Y551 R552 Y555 G556 T557 E615 V682 F683 L702 L732	Y551-Y613 HydrophobicContact CD1-CD2 4.32Å; Y551-Y613 HydrophobicContact CG-CD2 4.35Å; R552-Y613 HydrophobicContact CG-CD1 4.21Å; R552-Y613 HydrophobicContact CG-CE1 3.79Å; Y555-Y613 PolarHBondContact O-N 3.02Å; G556-Y613 CarbonylContact C-O 3.58Å; G556-Y613 WeakPolarHBondContact CA-O 3.24Å; T557-Y613 PolarHBondContact N-O 3.43Å; Y613-E615 HydrophobicContact CE1-CG 3.66Å; Y613-E615 WeakPolarHBondContact CE1-OE1 3.37Å; Y613-E615 VanDerWaalsContact OH-CG 3.22Å; Y613-E615 WeakPolarHBondContact OH-CG 3.37Å; Y613-E615 PolarHBondContact OH-OE1 3.1Å; Y613-V682 VanDerWaalsContact CA-O 3.29Å; Y613-V682 WeakPolarHBondContact CA-O 3.17Å; Y613-V682 WeakPolarHBondContact CD2-O 3.36Å; Y613-F683 HydrophobicContact CD2-CB 4.19Å; Y613-L702 HydrophobicContact CE2-CD1 4.2Å; Y613-L732 HydrophobicContact CD1-CD1 4.37Å; Y613-L732 HydrophobicContact CE1-CD2 4.5Å
614	W	96.3	Very high	92.9	Very high	3 Å²	3	48.3 Å²	48.3	1%	0.011	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	161.2	168.7	71	99.8	0	0	0	111.3	T557 P559 L607 L629 V682 L684 P718	T557-W614 HydrophobicContact CG2-CB 4.23Å; T557-W614 WeakPolarHBondContact O-CB 3.28Å; P559-W614 HydrophobicContact CG-CB 4.22Å; P559-W614 HydrophobicContact CG-CD2 4.34Å; P559-W614 HydrophobicContact CG-CG 3.96Å; L607-W614 HydrophobicContact CD1-CE3 4.12Å; L607-W614 HydrophobicContact CD1-CH2 4.2Å; L607-W614 HydrophobicContact CD1-CZ3 3.63Å; W614-L629 HydrophobicContact CH2-CD1 3.98Å; W614-L629 HydrophobicContact CH2-CD2 3.56Å; W614-L629 HydrophobicContact CH2-CG 3.76Å; W614-L629 HydrophobicContact CZ2-CD2 4.04Å; W614-L629 HydrophobicContact CZ2-CG 4.24Å; W614-L629 HydrophobicContact CZ3-CD2 4.45Å; W614-V682 HydrophobicContact CD2-CB 4.07Å; W614-V682 HydrophobicContact CE3-CB 4.26Å; W614-V682 HydrophobicContact CH2-CB 3.75Å; W614-V682 HydrophobicContact CH2-CG1 3.36Å; W614-V682 HydrophobicContact CZ2-CB 3.59Å; W614-V682 HydrophobicContact CZ2-CG1 3.52Å; W614-V682 HydrophobicContact CZ2-CG2 4Å; W614-V682 HydrophobicContact CZ3-CB 4.1Å; W614-V682 HydrophobicContact CZ3-CG1 3.99Å; W614-V682 PolarHBondContact N-O 3.4Å; W614-V682 PolarHBondContact O-N 2.83Å; W614-L684 HydrophobicContact CZ3-CB 4.36Å; W614-P718 HydrophobicContact CH2-CG 4.49Å; W614-P718 HydrophobicContact CZ2-CB 4.09Å; W614-P718 HydrophobicContact CZ2-CG 4.2Å
615	E	95.8	Very high	92.8	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	143.4	-179.1	-72.3	176	-178	0	0	110.7	R548 Y613 R679 V680 A696 C730 L732	R548-E615 IonicContact CZ-OE1 3.04Å; R548-E615 IonicContact CZ-OE2 2.72Å; R548-E615 IonicContact NE-OE1 2.69Å; R548-E615 PolarHBondContact NE-OE1 3.29Å; R548-E615 IonicContact NE-OE2 3.68Å; R548-E615 IonicContact NH2-OE1 3.97Å; R548-E615 PolarHBondContact NH2-OE1 2.87Å; R548-E615 IonicContact NH2-OE2 3.93Å; R548-E615 PolarHBondContact NH2-OE2 3.48Å; Y613-E615 HydrophobicContact CE1-CG 3.66Å; Y613-E615 WeakPolarHBondContact CE1-OE1 3.37Å; Y613-E615 VanDerWaalsContact OH-CG 3.22Å; Y613-E615 WeakPolarHBondContact OH-CG 3.37Å; Y613-E615 PolarHBondContact OH-OE1 3.1Å; E615-R679 HydrophobicContact CB-CG 4.17Å; E615-R679 WeakPolarHBondContact OE2-CD 3.5Å; E615-R679 IonicContact OE2-CZ 3.17Å; E615-R679 IonicContact OE2-NE 3.96Å; E615-R679 IonicContact OE2-NH1 3.78Å; E615-R679 PolarHBondContact OE2-NH1 3.21Å; E615-V680 CarbonylContact C-O 3.18Å; E615-V680 WeakPolarHBondContact CA-O 3.46Å; E615-A696 HydrophobicContact CG-CB 4.42Å; E615-C730 HydrophobicContact CB-CB 3.82Å; E615-C730 PolarHBondContact O-N 3.46Å; E615-L732 HydrophobicContact CB-CD2 3.78Å; E615-L732 HydrophobicContact CG-CD2 3.82Å
616	V	96.6	Very high	92.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	120.9	173.9	-174.7	0	0	0	0	108.8	V627 R679 V680 L720 L727 T728	V616-V627 HydrophobicContact CB-CG1 4.21Å; V616-V627 HydrophobicContact CB-CG2 4.2Å; V616-V627 HydrophobicContact CG1-CG2 4.01Å; V616-V627 HydrophobicContact CG2-CG1 3.83Å; V616-R679 WeakPolarHBondContact O-CA 3.47Å; V616-V680 PolarHBondContact N-O 2.97Å; V616-V680 PolarHBondContact O-N 2.95Å; V616-L720 HydrophobicContact CG1-CD2 4.45Å; V616-L720 HydrophobicContact CG2-CD2 4.31Å; V616-L727 HydrophobicContact CG1-CB 3.97Å; V616-L727 HydrophobicContact CG1-CD1 4.27Å; V616-L727 HydrophobicContact CG1-CD2 4.13Å; V616-L727 HydrophobicContact CG1-CG 4.36Å; V616-T728 WeakPolarHBondContact CA-O 3.47Å
617	S	95.3	Very high	93	Very high	50 Å²	50	41.4 Å²	41.4	35%	0.35	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	125.3	169.1	-167.6	0	0	0	0	108.9	T728 C730	S617-T728 PolarHBondContact N-O 2.89Å; S617-T728 PolarHBondContact O-N 3.22Å; S617-C730 PolarHBondContact N-SG 3.43Å; S617-C730 VanDerWaalsContact N-SG 3.42Å
618	V	93.8	Very high	93	Very high	7 Å²	7	41 Å²	41	4%	0.042	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	138.6	-179.2	-61.7	0	0	0	0	110.3	W625 V627 L677 Q678 V680 L727	V618-W625 HydrophobicContact CB-CD2 4.5Å; V618-W625 HydrophobicContact CB-CH2 4.43Å; V618-W625 HydrophobicContact CB-CZ2 3.72Å; V618-W625 HydrophobicContact CG1-CD2 4.17Å; V618-W625 HydrophobicContact CG1-CE3 4.33Å; V618-W625 HydrophobicContact CG1-CH2 3.87Å; V618-W625 HydrophobicContact CG1-CZ2 3.64Å; V618-W625 HydrophobicContact CG1-CZ3 4.21Å; V618-W625 HydrophobicContact CG2-CZ2 3.88Å; V618-V627 HydrophobicContact CG1-CG2 4.4Å; V618-L677 HydrophobicContact CG2-CG 4.09Å; V618-L677 WeakPolarHBondContact CG2-O 3.22Å; V618-Q678 VanDerWaalsContact CG2-C 3.46Å; V618-Q678 WeakPolarHBondContact CG2-O 3.08Å; V618-Q678 PolarHBondContact N-O 2.78Å; V618-V680 HydrophobicContact CG1-CG2 3.83Å; V618-L727 HydrophobicContact CB-CD2 4.05Å; V618-L727 HydrophobicContact CG1-CD2 3.69Å
619	S	84.7	Confident	93.2	Very high	28 Å²	28	35.2 Å²	35.2	20%	0.196	19%	0.191	C	C	.	.			trans	-74.3	149.4	175.8	-167.3	0	0	0	0	111.6	D621 T725	S619-D621 VanDerWaalsContact C-N 3.31Å; S619-D621 WeakPolarHBondContact CB-OD2 3.07Å; S619-D621 VanDerWaalsContact OG-CG 3.25Å; S619-D621 PolarHBondContact OG-N 2.93Å; S619-D621 PolarHBondContact OG-OD2 3.36Å; S619-T725 WeakPolarHBondContact CB-OG1 3.16Å
620	V	81.7	Confident	93.4	Very high	86 Å²	86	33.5 Å²	33.5	52%	0.521	17%	0.173	S	C	.	.			trans	-92.6	7.5	176.7	-160.4	0	0	0	0	111.5	Q678	V620-Q678 HydrophobicContact CG2-CG 4.42Å
621	D	86.6	Confident	93.6	Very high	58 Å²	58	32.4 Å²	32.4	31%	0.31	16%	0.16	S	C	.	.	S	Bend	trans	-70.8	162.7	173	64.4	55.9	0	0	0	113.1	S619 G623 T725	S619-D621 VanDerWaalsContact C-N 3.31Å; S619-D621 WeakPolarHBondContact CB-OD2 3.07Å; S619-D621 VanDerWaalsContact OG-CG 3.25Å; S619-D621 PolarHBondContact OG-N 2.93Å; S619-D621 PolarHBondContact OG-OD2 3.36Å; D621-G623 PolarHBondContact O-N 3Å; D621-G623 VanDerWaalsContact O-N 3.15Å; D621-G623 WeakPolarHBondContact OD1-CA 3.49Å; D621-G623 PolarHBondContact OD1-N 3.34Å; D621-T725 VanDerWaalsContact CG-OG1 3.23Å; D621-T725 WeakPolarHBondContact OD1-CB 3.16Å; D621-T725 PolarHBondContact OD1-OG1 2.99Å; D621-T725 PolarHBondContact OD2-OG1 3.37Å
622	D	84.3	Confident	93.5	Very high	99 Å²	99	31 Å²	31	53%	0.529	17%	0.167	S	C	.	.	S	Bend	trans	-80.8	18	179.4	-59.3	-35.9	0	0	0	113.1	R659	D622-R659 IonicContact OD1-CZ 3.18Å; D622-R659 VanDerWaalsContact OD1-CZ 3.24Å; D622-R659 IonicContact OD1-NE 2.7Å; D622-R659 PolarHBondContact OD1-NE 3.35Å; D622-R659 IonicContact OD1-NH2 3.49Å; D622-R659 PolarHBondContact OD1-NH2 2.86Å; D622-R659 IonicContact OD2-NH2 2.74Å
623	G	88.8	Confident	93.3	Very high	7 Å²	7	31.6 Å²	31.6	7%	0.072	17%	0.173	C	C	.	.	S	Bend	trans	-72.8	-170.7	170.5	0	0	0	0	0	112.2	D621	D621-G623 PolarHBondContact O-N 3Å; D621-G623 VanDerWaalsContact O-N 3.15Å; D621-G623 WeakPolarHBondContact OD1-CA 3.49Å; D621-G623 PolarHBondContact OD1-N 3.34Å
624	R	94.9	Very high	93.2	Very high	127 Å²	127	31.7 Å²	31.7	48%	0.479	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	128.7	-172	-58.7	-172.5	-76	-163.8	-7.8	111.1	C656 D657 V722 S723 T725	R624-C656 WeakPolarHBondContact CA-O 3.4Å; R624-D657 WeakPolarHBondContact CD-OD1 3.49Å; R624-D657 WeakPolarHBondContact CD-OD2 3.37Å; R624-D657 HydrophobicContact CG-CB 4.27Å; R624-D657 IonicContact NE-OD2 2.89Å; R624-D657 IonicContact NH1-OD2 3.28Å; R624-D657 PolarHBondContact NH1-OD2 2.72Å; R624-V722 CarbonylContact O-C 3.58Å; R624-V722 WeakPolarHBondContact O-CA 3.2Å; R624-S723 PolarHBondContact N-O 2.85Å; R624-S723 PolarHBondContact O-N 2.92Å; R624-T725 VanDerWaalsContact O-CG2 3.3Å; R624-T725 WeakPolarHBondContact O-CG2 3.38Å
625	W	96.3	Very high	93.1	Very high	8 Å²	8	36.4 Å²	36.4	3%	0.03	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	158.3	-178.2	56.1	-108.6	0	0	0	113	V618 V627 A655 C656 L661 L677 V680 S721 V722 T725 L727	V618-W625 HydrophobicContact CB-CD2 4.5Å; V618-W625 HydrophobicContact CB-CH2 4.43Å; V618-W625 HydrophobicContact CB-CZ2 3.72Å; V618-W625 HydrophobicContact CG1-CD2 4.17Å; V618-W625 HydrophobicContact CG1-CE3 4.33Å; V618-W625 HydrophobicContact CG1-CH2 3.87Å; V618-W625 HydrophobicContact CG1-CZ2 3.64Å; V618-W625 HydrophobicContact CG1-CZ3 4.21Å; V618-W625 HydrophobicContact CG2-CZ2 3.88Å; W625-V627 HydrophobicContact CE3-CG2 3.98Å; W625-V627 HydrophobicContact CZ3-CG2 4.09Å; W625-A655 WeakPolarHBondContact O-CA 3.42Å; W625-C656 HydrophobicContact CD2-CB 3.64Å; W625-C656 HydrophobicContact CE3-CB 4.07Å; W625-C656 HydrophobicContact CG-CB 4.19Å; W625-C656 HydrophobicContact CH2-CB 3.94Å; W625-C656 HydrophobicContact CZ2-CB 3.48Å; W625-C656 VanDerWaalsContact CZ2-CB 3.48Å; W625-C656 HydrophobicContact CZ3-CB 4.2Å; W625-C656 PolarHBondContact N-O 2.82Å; W625-C656 PolarHBondContact O-N 3.36Å; W625-L661 HydrophobicContact CH2-CD1 3.62Å; W625-L661 HydrophobicContact CZ2-CD1 4.28Å; W625-L661 HydrophobicContact CZ3-CD1 4.28Å; W625-L677 HydrophobicContact CH2-CD2 3.97Å; W625-L677 HydrophobicContact CZ2-CD2 4.21Å; W625-V680 HydrophobicContact CH2-CG2 3.93Å; W625-V680 HydrophobicContact CZ3-CG2 4.33Å; W625-S721 CarbonylContact C-O 3.6Å; W625-S721 WeakPolarHBondContact CA-O 3.35Å; W625-V722 HydrophobicContact CB-CG1 4.29Å; W625-T725 HydrophobicContact CB-CG2 4.03Å; W625-L727 HydrophobicContact CB-CD1 4.11Å; W625-L727 HydrophobicContact CB-CD2 4.09Å; W625-L727 HydrophobicContact CB-CG 4.22Å; W625-L727 HydrophobicContact CD2-CD2 4.41Å; W625-L727 HydrophobicContact CG-CD2 4.07Å
626	K	97.4	Very high	93	Very high	32 Å²	32	38.2 Å²	38.2	14%	0.139	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	137.2	167.7	-54.7	-166	162.8	-154.2	0	109.9	L645 C653 L654 A655 L720 S721	K626-L645 HydrophobicContact CB-CD2 3.97Å; K626-L645 HydrophobicContact CD-CB 4.24Å; K626-L645 HydrophobicContact CD-CD2 4.47Å; K626-L645 PolarHBondContact NZ-O 2.95Å; K626-C653 HydrophobicContact CB-CB 4.37Å; K626-L654 CarbonylContact C-O 3.57Å; K626-L654 WeakPolarHBondContact CA-O 3.47Å; K626-A655 HydrophobicContact CB-CB 4.47Å; K626-A655 HydrophobicContact CD-CB 4.21Å; K626-A655 HydrophobicContact CG-CB 3.75Å; K626-L720 WeakPolarHBondContact O-CA 3.49Å; K626-S721 PolarHBondContact N-O 3.48Å; K626-S721 PolarHBondContact O-N 3.25Å
627	V	98.2	Very high	92.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127.7	173.1	178.4	0	0	0	0	107.5	V616 V618 W625 C653 L654 V680 V682 F693 L720 L727	V616-V627 HydrophobicContact CB-CG1 4.21Å; V616-V627 HydrophobicContact CB-CG2 4.2Å; V616-V627 HydrophobicContact CG1-CG2 4.01Å; V616-V627 HydrophobicContact CG2-CG1 3.83Å; V618-V627 HydrophobicContact CG1-CG2 4.4Å; W625-V627 HydrophobicContact CE3-CG2 3.98Å; W625-V627 HydrophobicContact CZ3-CG2 4.09Å; V627-C653 CarbonylContact O-C 3.59Å; V627-C653 VanDerWaalsContact O-CA 3.32Å; V627-C653 WeakPolarHBondContact O-CA 3.48Å; V627-C653 WeakPolarHBondContact O-CB 3.47Å; V627-L654 PolarHBondContact N-O 3.44Å; V627-L654 PolarHBondContact O-N 3.36Å; V627-V680 HydrophobicContact CG1-CG1 4.21Å; V627-V682 HydrophobicContact CG1-CG2 3.78Å; V627-F693 WeakPolarHBondContact O-CE1 3.42Å; V627-L720 HydrophobicContact CB-CD2 4.35Å; V627-L720 HydrophobicContact CG1-CD2 4.2Å; V627-L720 HydrophobicContact CG2-CD2 4.13Å; V627-L727 HydrophobicContact CG2-CD1 3.88Å
628	G	97.4	Very high	92.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.9	-154.5	-177	0	0	0	0	0	115.4	W652 P718 A719	G628-W652 CarbonylContact C-O 3.53Å; G628-W652 WeakPolarHBondContact CA-O 3.4Å; G628-P718 WeakPolarHBondContact O-CA 3.41Å; G628-A719 PolarHBondContact N-O 2.81Å; G628-A719 PolarHBondContact O-N 3.01Å
629	L	97.6	Very high	91.5	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	153.6	179.1	-71.9	167.3	0	0	0	110.8	L607 W614 S651 W652 L684 L691 L716 Y717 P718	L607-L629 HydrophobicContact CD1-CD2 4.22Å; W614-L629 HydrophobicContact CH2-CD1 3.98Å; W614-L629 HydrophobicContact CH2-CD2 3.56Å; W614-L629 HydrophobicContact CH2-CG 3.76Å; W614-L629 HydrophobicContact CZ2-CD2 4.04Å; W614-L629 HydrophobicContact CZ2-CG 4.24Å; W614-L629 HydrophobicContact CZ3-CD2 4.45Å; L629-S651 VanDerWaalsContact O-CA 3.29Å; L629-S651 WeakPolarHBondContact O-CA 3.49Å; L629-S651 WeakPolarHBondContact O-CB 3.41Å; L629-W652 PolarHBondContact N-O 2.85Å; L629-W652 PolarHBondContact O-N 3.45Å; L629-L684 HydrophobicContact CD1-CB 4.22Å; L629-L684 HydrophobicContact CD1-CD1 3.84Å; L629-L684 HydrophobicContact CD1-CD2 3.75Å; L629-L684 HydrophobicContact CD1-CG 4.15Å; L629-L691 HydrophobicContact CD1-CD1 3.56Å; L629-L691 HydrophobicContact CD1-CD2 3.9Å; L629-L691 HydrophobicContact CD1-CG 4.3Å; L629-L691 HydrophobicContact CG-CD1 4.5Å; L629-L716 HydrophobicContact CB-CD2 4.42Å; L629-L716 HydrophobicContact CD1-CB 4.49Å; L629-L716 HydrophobicContact CD1-CD1 4.35Å; L629-L716 HydrophobicContact CD2-CB 4.1Å; L629-Y717 WeakPolarHBondContact CA-O 3.35Å; L629-P718 HydrophobicContact CD2-CG 4.11Å
630	S	96.7	Very high	91.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	145.1	170	-175.6	0	0	0	0	110.7	I634 Y650 Y717	S630-I634 WeakPolarHBondContact OG-CB 3.31Å; S630-I634 WeakPolarHBondContact OG-CG2 3.31Å; S630-Y650 CarbonylContact C-O 3.59Å; S630-Y650 WeakPolarHBondContact CA-O 3.27Å; S630-Y717 PolarHBondContact N-O 2.85Å; S630-Y717 PolarHBondContact O-N 3.49Å
631	T	95.4	Very high	91.9	Very high	8 Å²	8	54.2 Å²	54.2	5%	0.049	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	172.8	162.1	85.6	0	0	0	0	109.9	Q633 Y650 W652 E714 L716	T631-Q633 PolarHBondContact O-N 2.77Å; T631-Q633 WeakPolarHBondContact OG1-CB 3.28Å; T631-Q633 WeakPolarHBondContact OG1-CG 3.32Å; T631-Q633 PolarHBondContact OG1-N 3.32Å; T631-Y650 PolarHBondContact N-O 2.9Å; T631-W652 HydrophobicContact CG2-CZ3 4.46Å; T631-E714 WeakPolarHBondContact CB-OE2 3.23Å; T631-E714 HydrophobicContact CG2-CB 3.95Å; T631-E714 PolarHBondContact OG1-OE2 2.72Å; T631-L716 HydrophobicContact CG2-CD2 3.7Å
632	A	92.9	Very high	92.1	Very high	58 Å²	58	52.5 Å²	52.5	48%	0.479	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-22	174.3	0	0	0	0	0	113.5	I634 R636 Y717	A632-I634 VanDerWaalsContact C-N 3.31Å; A632-I634 PolarHBondContact O-N 3.1Å; A632-R636 PolarHBondContact O-NH2 3.05Å; A632-Y717 HydrophobicContact CB-CE2 4.09Å
633	Q	92.4	Very high	92.4	Very high	91 Å²	91	47.9 Å²	47.9	43%	0.425	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-14.7	-169.7	-59.4	-169.3	38.5	0	0	115.4	T631 E635 Y650 E714	T631-Q633 PolarHBondContact O-N 2.77Å; T631-Q633 WeakPolarHBondContact OG1-CB 3.28Å; T631-Q633 WeakPolarHBondContact OG1-CG 3.32Å; T631-Q633 PolarHBondContact OG1-N 3.32Å; Q633-E635 PolarHBondContact O-N 3.3Å; Q633-Y650 HydrophobicContact CB-CD1 4Å; Q633-Y650 HydrophobicContact CB-CD2 4.22Å; Q633-Y650 HydrophobicContact CB-CE1 4.36Å; Q633-Y650 HydrophobicContact CB-CG 3.92Å; Q633-E714 PolarHBondContact NE2-OE1 3.22Å; Q633-E714 PolarHBondContact NE2-OE2 2.68Å
634	I	94.3	Very high	92.7	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.015	26%	0.257	C	S	.	.	S	Bend	trans	-56.1	132.7	178.2	-168.3	170.2	0	0	0	111.2	F595 S630 A632 R636 G642 L645	F595-I634 HydrophobicContact CE1-CD1 4.39Å; F595-I634 HydrophobicContact CE1-CG1 4.41Å; F595-I634 HydrophobicContact CE1-CG2 4.23Å; F595-I634 HydrophobicContact CZ-CD1 4.45Å; F595-I634 HydrophobicContact CZ-CG2 3.96Å; S630-I634 WeakPolarHBondContact OG-CB 3.31Å; S630-I634 WeakPolarHBondContact OG-CG2 3.31Å; A632-I634 VanDerWaalsContact C-N 3.31Å; A632-I634 PolarHBondContact O-N 3.1Å; I634-R636 WeakPolarHBondContact O-CD 3.49Å; I634-R636 PolarHBondContact O-NE 3.49Å; I634-G642 WeakPolarHBondContact CG1-O 3.5Å; I634-L645 HydrophobicContact CD1-CD1 4.25Å
635	E	94.3	Very high	92.8	Very high	101 Å²	101	46.9 Å²	46.9	47%	0.472	24%	0.235	S	C	.	.			trans	-65.8	142.6	-177	-58.4	176.6	148.8	0	0	110.4	F595 Q633 G642 S643	F595-E635 WeakPolarHBondContact CE1-O 3.35Å; Q633-E635 PolarHBondContact O-N 3.3Å; E635-G642 PolarHBondContact N-O 3.46Å; E635-G642 VanDerWaalsContact OE2-C 3.3Å; E635-G642 VanDerWaalsContact OE2-CA 3.26Å; E635-G642 WeakPolarHBondContact OE2-CA 3.36Å; E635-S643 WeakPolarHBondContact O-CA 3.29Å; E635-S643 WeakPolarHBondContact O-CB 3.49Å; E635-S643 PolarHBondContact OE2-N 3.13Å
636	R	93.4	Very high	92.7	Very high	39 Å²	39	46.5 Å²	46.5	15%	0.147	23%	0.234	C	C	.	.	S	Bend	trans	-97.7	-21.3	-176.3	-49.9	-55.1	168.8	140.1	-4.5	113.4	A593 F595 S596 A632 I634	A593-R636 WeakPolarHBondContact O-CD 3.31Å; F595-R636 CarbonylContact C-O 3.6Å; F595-R636 VanDerWaalsContact CA-O 3.25Å; F595-R636 WeakPolarHBondContact CA-O 3.13Å; S596-R636 PolarHBondContact N-O 3.14Å; A632-R636 PolarHBondContact O-NH2 3.05Å; I634-R636 WeakPolarHBondContact O-CD 3.49Å; I634-R636 PolarHBondContact O-NE 3.49Å
637	K	90.5	Very high	92.5	Very high	86 Å²	86	45.5 Å²	45.5	37%	0.374	23%	0.231	S	C	.	.	S	Bend	trans	-130.7	145.2	-174.5	-41.2	-68.6	-178.9	-178.7	0	109.3	D590 H591 R594 S596	D590-K637 IonicContact OD1-NZ 2.72Å; H591-K637 PolarHBondContact O-NZ 3.38Å; R594-K637 WeakPolarHBondContact O-CE 3.49Å; R594-K637 PolarHBondContact O-NZ 3.36Å; S596-K637 WeakPolarHBondContact OG-CA 3.39Å; S596-K637 WeakPolarHBondContact OG-CD 3.35Å
638	G	83.6	Confident	92.4	Very high	33 Å²	33	46 Å²	46	34%	0.34	23%	0.233	S	C	.	.	S	Bend	trans	102.2	147.5	177.9	0	0	0	0	0	113.7	S597 K640 S643	S597-G638 VanDerWaalsContact CB-O 3.23Å; S597-G638 WeakPolarHBondContact CB-O 3.03Å; S597-G638 VanDerWaalsContact OG-C 3.26Å; S597-G638 WeakPolarHBondContact OG-CA 3.33Å; S597-G638 PolarHBondContact OG-N 2.78Å; S597-G638 VanDerWaalsContact OG-N 3.11Å; S597-G638 PolarHBondContact OG-O 2.89Å; G638-K640 VanDerWaalsContact C-N 3.32Å; G638-K640 PolarHBondContact O-N 3.48Å; G638-S643 PolarHBondContact O-OG 3.16Å
639	Q	80.3	Confident	92.2	Very high	165 Å²	165	48.5 Å²	48.5	77%	0.771	25%	0.251	S	S	*	.	S	Bend	trans	-88.9	13.1	-172.6	-65.4	175.3	-16.3	0	0	114.2
640	K	85.8	Confident	92	Very high	163 Å²	163	52.9 Å²	52.9	71%	0.709	27%	0.268	S	S	*	.	S	Bend	trans	-86.8	168.5	179.1	-66	-176.8	-179.6	178.7	0	111.2	G638 G642 S643	G638-K640 VanDerWaalsContact C-N 3.32Å; G638-K640 PolarHBondContact O-N 3.48Å; K640-G642 PolarHBondContact O-N 3.16Å; K640-S643 PolarHBondContact O-N 3Å; K640-S643 PolarHBondContact O-OG 3.01Å; K640-S643 VanDerWaalsContact O-OG 3.12Å
641	D	89.6	Confident	92	Very high	61 Å²	61	52.9 Å²	52.9	33%	0.326	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-63.6	-24.1	-176.2	-52.4	-65.6	0	0	0	114.6	S643 R644 C647 N648 K667	D641-S643 PolarHBondContact O-N 3.13Å; D641-R644 PolarHBondContact O-N 2.65Å; D641-C647 HydrophobicContact CB-CB 3.89Å; D641-C647 WeakPolarHBondContact CB-O 3.45Å; D641-N648 PolarHBondContact O-ND2 3.21Å; D641-K667 VanDerWaalsContact CB-CE 3.44Å; D641-K667 VanDerWaalsContact CG-NZ 3.34Å; D641-K667 VanDerWaalsContact OD2-CE 3.23Å; D641-K667 WeakPolarHBondContact OD2-CE 3.47Å; D641-K667 IonicContact OD2-NZ 3.52Å; D641-K667 PolarHBondContact OD2-NZ 3.27Å
642	G	89.7	Confident	92.1	Very high	21 Å²	21	52.8 Å²	52.8	22%	0.216	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-61.6	-23.2	178	0	0	0	0	0	113.9	I634 E635 K640 N648	I634-G642 WeakPolarHBondContact CG1-O 3.5Å; E635-G642 PolarHBondContact N-O 3.46Å; E635-G642 VanDerWaalsContact OE2-C 3.3Å; E635-G642 VanDerWaalsContact OE2-CA 3.26Å; E635-G642 WeakPolarHBondContact OE2-CA 3.36Å; K640-G642 PolarHBondContact O-N 3.16Å; G642-N648 PolarHBondContact O-ND2 3Å
643	S	92	Very high	92.3	Very high	2 Å²	2	50 Å²	50	1%	0.014	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-97.2	-3.2	174.5	72.4	0	0	0	0	114.2	F598 Q600 E635 G638 K640 D641	F598-S643 WeakPolarHBondContact CD2-OG 3.42Å; F598-S643 VanDerWaalsContact CE2-OG 3.27Å; F598-S643 WeakPolarHBondContact CE2-OG 3.44Å; Q600-S643 PolarHBondContact NE2-O 3.16Å; E635-S643 WeakPolarHBondContact O-CA 3.29Å; E635-S643 WeakPolarHBondContact O-CB 3.49Å; E635-S643 PolarHBondContact OE2-N 3.13Å; G638-S643 PolarHBondContact O-OG 3.16Å; K640-S643 PolarHBondContact O-N 3Å; K640-S643 PolarHBondContact O-OG 3.01Å; K640-S643 VanDerWaalsContact O-OG 3.12Å; D641-S643 PolarHBondContact O-N 3.13Å
644	R	94.2	Very high	92.6	Very high	110 Å²	110	45.7 Å²	45.7	42%	0.415	22%	0.224	S	C	.	.	S	Bend	trans	-108	120.5	-166.5	-162	179.7	-169.3	-156.9	1.7	111.6	F598 D641 G646 C647 N648	F598-R644 HydrophobicContact CD1-CG 4.37Å; F598-R644 HydrophobicContact CD2-CB 3.85Å; F598-R644 HydrophobicContact CD2-CG 3.93Å; F598-R644 HydrophobicContact CE1-CG 4.29Å; F598-R644 HydrophobicContact CE2-CB 3.63Å; F598-R644 HydrophobicContact CE2-CG 3.85Å; F598-R644 HydrophobicContact CG-CG 4.21Å; F598-R644 HydrophobicContact CZ-CB 4.22Å; F598-R644 HydrophobicContact CZ-CG 4.04Å; D641-R644 PolarHBondContact O-N 2.65Å; R644-G646 PolarHBondContact O-N 3.16Å; R644-C647 HydrophobicContact CB-CB 4.05Å; R644-C647 HydrophobicContact CG-CB 4.46Å; R644-C647 WeakPolarHBondContact O-CB 3.43Å; R644-C647 PolarHBondContact O-N 3.35Å; R644-N648 PolarHBondContact O-ND2 3.37Å
645	L	96.2	Very high	92.6	Very high	4 Å²	4	46 Å²	46	2%	0.021	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	127.3	-173.5	-165	74.3	0	0	0	112	K626 I634 C647 C653 A719	K626-L645 HydrophobicContact CB-CD2 3.97Å; K626-L645 HydrophobicContact CD-CB 4.24Å; K626-L645 HydrophobicContact CD-CD2 4.47Å; K626-L645 PolarHBondContact NZ-O 2.95Å; I634-L645 HydrophobicContact CD1-CD1 4.25Å; L645-C647 VanDerWaalsContact C-N 3.29Å; L645-C647 PolarHBondContact O-N 3.2Å; L645-C653 HydrophobicContact CD2-CB 3.96Å; L645-C653 HydrophobicContact CG-CB 4.17Å; L645-A719 HydrophobicContact CD1-CB 3.55Å; L645-A719 HydrophobicContact CD2-CB 3.92Å; L645-A719 HydrophobicContact CG-CB 4.41Å
646	G	94.6	Very high	92.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	-2.6	-176.8	0	0	0	0	0	115.3	R644 S651 H665 N666 K667	R644-G646 PolarHBondContact O-N 3.16Å; G646-S651 PolarHBondContact N-OG 3.49Å; G646-H665 CarbonylContact O-C 3.59Å; G646-H665 VanDerWaalsContact O-C 3.28Å; G646-H665 WeakPolarHBondContact O-CA 3.44Å; G646-H665 PolarHBondContact O-N 3.13Å; G646-N666 PolarHBondContact O-N 2.91Å; G646-K667 PolarHBondContact O-N 2.89Å; G646-K667 VanDerWaalsContact O-N 3.09Å
647	C	94.4	Very high	92.5	Very high	11 Å²	11	43.5 Å²	43.5	7%	0.074	22%	0.221	C	C	.	.	S	Bend	trans	-103.6	12.8	-179.3	-55.1	0	0	0	0	113.2	D641 R644 L645 K667	D641-C647 HydrophobicContact CB-CB 3.89Å; D641-C647 WeakPolarHBondContact CB-O 3.45Å; R644-C647 HydrophobicContact CB-CB 4.05Å; R644-C647 HydrophobicContact CG-CB 4.46Å; R644-C647 WeakPolarHBondContact O-CB 3.43Å; R644-C647 PolarHBondContact O-N 3.35Å; L645-C647 VanDerWaalsContact C-N 3.29Å; L645-C647 PolarHBondContact O-N 3.2Å; C647-K667 HydrophobicContact CB-CG 4.18Å; C647-K667 WeakPolarHBondContact O-CE 3.38Å; C647-K667 WeakPolarHBondContact O-CG 3.49Å
648	N	94.3	Very high	92.3	Very high	10 Å²	10	46.7 Å²	46.7	5%	0.053	24%	0.235	C	C	.	.	S	Bend	trans	-144.7	166.5	179.6	55.6	67.9	0	0	0	110.6	D641 G642 R644 Y650 S651 N666	D641-N648 PolarHBondContact O-ND2 3.21Å; G642-N648 PolarHBondContact O-ND2 3Å; R644-N648 PolarHBondContact O-ND2 3.37Å; N648-Y650 HydrophobicContact CB-CD2 4.3Å; N648-Y650 PolarHBondContact O-N 2.89Å; N648-Y650 PolarHBondContact OD1-N 3.37Å; N648-Y650 VanDerWaalsContact OD1-N 3.15Å; N648-S651 PolarHBondContact ND2-OG 2.95Å; N648-S651 PolarHBondContact OD1-N 3.18Å; N648-S651 PolarHBondContact OD1-OG 3.45Å; N648-N666 WeakPolarHBondContact O-CA 3.33Å; N648-N666 PolarHBondContact O-N 2.76Å; N648-N666 VanDerWaalsContact O-N 3.11Å
649	S	93.6	Very high	92.2	Very high	53 Å²	53	52.9 Å²	52.9	37%	0.371	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-7.7	-179.5	48.5	0	0	0	0	114.8	H665 N666	S649-H665 PolarHBondContact O-CE1 2.87Å; S649-N666 PolarHBondContact N-OD1 3.48Å
650	Y	93.8	Very high	92.7	Very high	91 Å²	91	52.2 Å²	52.2	36%	0.357	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	0.4	-174	-44.6	-63.8	0	0	0	113.4	S630 T631 Q633 N648 W652	S630-Y650 CarbonylContact C-O 3.59Å; S630-Y650 WeakPolarHBondContact CA-O 3.27Å; T631-Y650 PolarHBondContact N-O 2.9Å; Q633-Y650 HydrophobicContact CB-CD1 4Å; Q633-Y650 HydrophobicContact CB-CD2 4.22Å; Q633-Y650 HydrophobicContact CB-CE1 4.36Å; Q633-Y650 HydrophobicContact CB-CG 3.92Å; N648-Y650 HydrophobicContact CB-CD2 4.3Å; N648-Y650 PolarHBondContact O-N 2.89Å; N648-Y650 PolarHBondContact OD1-N 3.37Å; N648-Y650 VanDerWaalsContact OD1-N 3.15Å; Y650-W652 WeakPolarHBondContact O-CZ3 3.29Å
651	S	96.4	Very high	93.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	148.8	-176	56.7	0	0	0	0	113.8	L629 G646 N648 H665	L629-S651 VanDerWaalsContact O-CA 3.29Å; L629-S651 WeakPolarHBondContact O-CA 3.49Å; L629-S651 WeakPolarHBondContact O-CB 3.41Å; G646-S651 PolarHBondContact N-OG 3.49Å; N648-S651 PolarHBondContact ND2-OG 2.95Å; N648-S651 PolarHBondContact OD1-N 3.18Å; N648-S651 PolarHBondContact OD1-OG 3.45Å; S651-H665 PolarHBondContact O-ND1 2.79Å
652	W	97.8	Very high	93.5	Very high	7 Å²	7	45.6 Å²	45.6	3%	0.027	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	128.6	-178.3	-59.8	-101	0	0	0	107.9	G628 L629 T631 Y650 H665 L691 Y708 H710 F712 L716	G628-W652 CarbonylContact C-O 3.53Å; G628-W652 WeakPolarHBondContact CA-O 3.4Å; L629-W652 PolarHBondContact N-O 2.85Å; L629-W652 PolarHBondContact O-N 3.45Å; T631-W652 HydrophobicContact CG2-CZ3 4.46Å; Y650-W652 WeakPolarHBondContact O-CZ3 3.29Å; W652-H665 AromaticContact CD1-CE1 3.93Å; W652-H665 AromaticContact CD1-CG 3.43Å; W652-H665 VanDerWaalsContact CD1-CG 3.43Å; W652-H665 AromaticContact CD1-ND1 3.36Å; W652-H665 AromaticContact CD2-ND1 3.81Å; W652-H665 AromaticContact CE2-CE1 3.33Å; W652-H665 AromaticContact CE2-ND1 3.43Å; W652-H665 HydrophobicContact CG-CB 4.35Å; W652-H665 AromaticContact CG-ND1 3.74Å; W652-H665 AromaticContact CZ2-CE1 3.5Å; W652-H665 VanDerWaalsContact CZ2-CE1 3.5Å; W652-H665 WeakPolarHBondContact CZ2-CE1 3.39Å; W652-H665 AromaticContact NE1-CD2 3.69Å; W652-H665 AromaticContact NE1-CE1 3.22Å; W652-H665 PolarHBondContact NE1-CE1 2.97Å; W652-H665 AromaticContact NE1-CG 3.42Å; W652-H665 AromaticContact NE1-ND1 3.14Å; W652-H665 PolarHBondContact NE1-ND1 3.43Å; W652-H665 VanDerWaalsContact NE1-ND1 3.14Å; W652-H665 AromaticContact NE1-NE2 3.56Å; W652-L691 HydrophobicContact CB-CD2 3.46Å; W652-L691 VanDerWaalsContact CB-CD2 3.46Å; W652-L691 HydrophobicContact CG-CD2 4Å; W652-Y708 HydrophobicContact CB-CD2 4.2Å; W652-Y708 HydrophobicContact CB-CE2 3.99Å; W652-Y708 AromaticContact CD1-CD1 3.86Å; W652-Y708 AromaticContact CD1-CD2 3.96Å; W652-Y708 AromaticContact CD1-CG 3.75Å; W652-Y708 HydrophobicContact CG-CD2 4.43Å; W652-H710 AromaticContact CZ2-CE1 3.79Å; W652-H710 AromaticContact CZ2-CG 3.93Å; W652-H710 AromaticContact CZ2-ND1 3.75Å; W652-H710 AromaticContact CZ2-NE2 3.97Å; W652-F712 HydrophobicContact CD2-CE1 4.1Å; W652-F712 AromaticContact CE2-CE1 3.87Å; W652-F712 HydrophobicContact CE3-CE1 4.22Å; W652-F712 HydrophobicContact CH2-CD1 4.39Å; W652-F712 HydrophobicContact CH2-CE1 4.04Å; W652-F712 AromaticContact CZ2-CE1 3.86Å; W652-F712 HydrophobicContact CZ2-CE1 3.86Å; W652-F712 HydrophobicContact CZ3-CE1 4.2Å; W652-L716 HydrophobicContact CE3-CD2 4.28Å; W652-L716 HydrophobicContact CZ3-CD2 3.76Å
653	C	97.9	Very high	93.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	156.6	178.1	62.8	0	0	0	0	113.2	K626 V627 L645 A663 L664 Y708	K626-C653 HydrophobicContact CB-CB 4.37Å; V627-C653 CarbonylContact O-C 3.59Å; V627-C653 VanDerWaalsContact O-CA 3.32Å; V627-C653 WeakPolarHBondContact O-CA 3.48Å; V627-C653 WeakPolarHBondContact O-CB 3.47Å; L645-C653 HydrophobicContact CD2-CB 3.96Å; L645-C653 HydrophobicContact CG-CB 4.17Å; C653-A663 WeakPolarHBondContact O-CA 3.31Å; C653-L664 PolarHBondContact N-O 2.9Å; C653-L664 PolarHBondContact O-N 3.45Å; C653-Y708 PolarHBondContact O-OH 3.42Å
654	L	97.6	Very high	94.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	136	155.5	-168.5	72.7	0	0	0	107.9	K626 V627 L661 E662 A663 V672 V680 F693 L705	K626-L654 CarbonylContact C-O 3.57Å; K626-L654 WeakPolarHBondContact CA-O 3.47Å; V627-L654 PolarHBondContact N-O 3.44Å; V627-L654 PolarHBondContact O-N 3.36Å; L654-L661 HydrophobicContact CD1-CD1 4.17Å; L654-L661 HydrophobicContact CD1-CD2 4.36Å; L654-L661 HydrophobicContact CD1-CG 3.97Å; L654-L661 HydrophobicContact CD2-CD1 3.95Å; L654-L661 HydrophobicContact CD2-CD2 4.3Å; L654-L661 HydrophobicContact CD2-CG 4.36Å; L654-L661 HydrophobicContact CG-CD1 3.81Å; L654-L661 HydrophobicContact CG-CG 4.16Å; L654-E662 CarbonylContact C-O 3.58Å; L654-A663 HydrophobicContact CD1-CB 4.42Å; L654-V672 HydrophobicContact CD1-CB 4.49Å; L654-V672 HydrophobicContact CD1-CG2 3.96Å; L654-V680 HydrophobicContact CD2-CG1 4Å; L654-V680 HydrophobicContact CD2-CG2 3.99Å; L654-F693 HydrophobicContact CB-CD1 3.65Å; L654-F693 HydrophobicContact CB-CE1 3.88Å; L654-F693 HydrophobicContact CB-CG 4.1Å; L654-F693 HydrophobicContact CD2-CB 4.29Å; L654-F693 HydrophobicContact CD2-CD1 4.3Å; L654-L705 HydrophobicContact CD2-CD1 3.85Å
655	A	95.8	Very high	94.2	Very high	10 Å²	10	42 Å²	42	8%	0.083	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	148.8	-177.8	0	0	0	0	0	111.8	W625 K626 L661 E662 L664	W625-A655 WeakPolarHBondContact O-CA 3.42Å; K626-A655 HydrophobicContact CB-CB 4.47Å; K626-A655 HydrophobicContact CD-CB 4.21Å; K626-A655 HydrophobicContact CG-CB 3.75Å; A655-L661 WeakPolarHBondContact O-CA 3.34Å; A655-E662 PolarHBondContact N-O 3.19Å; A655-E662 PolarHBondContact O-N 3.28Å; A655-L664 HydrophobicContact CB-CD1 3.4Å; A655-L664 VanDerWaalsContact CB-CD1 3.4Å
656	C	94.3	Very high	94.1	Very high	18 Å²	18	45.1 Å²	45.1	12%	0.122	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129.6	173.1	-171.3	0	0	0	0	110.7	R624 W625 R659 K660 L661	R624-C656 WeakPolarHBondContact CA-O 3.4Å; W625-C656 HydrophobicContact CD2-CB 3.64Å; W625-C656 HydrophobicContact CE3-CB 4.07Å; W625-C656 HydrophobicContact CG-CB 4.19Å; W625-C656 HydrophobicContact CH2-CB 3.94Å; W625-C656 HydrophobicContact CZ2-CB 3.48Å; W625-C656 VanDerWaalsContact CZ2-CB 3.48Å; W625-C656 HydrophobicContact CZ3-CB 4.2Å; W625-C656 PolarHBondContact N-O 2.82Å; W625-C656 PolarHBondContact O-N 3.36Å; C656-R659 VanDerWaalsContact SG-CA 3.54Å; C656-K660 WeakPolarHBondContact CA-O 3.35Å; C656-L661 HydrophobicContact CB-CD1 4.32Å
657	D	91.3	Very high	93.9	Very high	68 Å²	68	50.9 Å²	50.9	36%	0.364	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	115	166.6	-167.5	-29.8	0	0	0	108.5	R624 R659 K660	R624-D657 WeakPolarHBondContact CD-OD1 3.49Å; R624-D657 WeakPolarHBondContact CD-OD2 3.37Å; R624-D657 HydrophobicContact CG-CB 4.27Å; R624-D657 IonicContact NE-OD2 2.89Å; R624-D657 IonicContact NH1-OD2 3.28Å; R624-D657 PolarHBondContact NH1-OD2 2.72Å; D657-R659 VanDerWaalsContact C-N 3.33Å; D657-R659 PolarHBondContact O-N 2.93Å; D657-K660 PolarHBondContact N-O 3.16Å; D657-K660 VanDerWaalsContact N-O 3.09Å; D657-K660 WeakPolarHBondContact O-CB 3.23Å; D657-K660 PolarHBondContact O-N 3.47Å
658	K	86.3	Confident	93.9	Very high	154 Å²	154	57.2 Å²	57.2	67%	0.67	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	50.5	-177.2	-61.6	170.1	-174.1	-177.9	0	113	K660	K658-K660 PolarHBondContact O-N 2.83Å; K658-K660 VanDerWaalsContact O-N 3.11Å
659	R	81.4	Confident	93.9	Very high	162 Å²	162	60.8 Å²	60.8	61%	0.611	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	5.2	179.9	-45.5	177.6	-160.4	-159.6	1.1	115.1	D622 C656 D657	D622-R659 IonicContact OD1-CZ 3.18Å; D622-R659 VanDerWaalsContact OD1-CZ 3.24Å; D622-R659 IonicContact OD1-NE 2.7Å; D622-R659 PolarHBondContact OD1-NE 3.35Å; D622-R659 IonicContact OD1-NH2 3.49Å; D622-R659 PolarHBondContact OD1-NH2 2.86Å; D622-R659 IonicContact OD2-NH2 2.74Å; C656-R659 VanDerWaalsContact SG-CA 3.54Å; D657-R659 VanDerWaalsContact C-N 3.33Å; D657-R659 PolarHBondContact O-N 2.93Å
660	K	90.3	Very high	94	Very high	152 Å²	152	60 Å²	60	66%	0.661	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	121.8	166	-62.9	-172.1	176.2	-171.1	0	109.2	C656 D657 K658	C656-K660 WeakPolarHBondContact CA-O 3.35Å; D657-K660 PolarHBondContact N-O 3.16Å; D657-K660 VanDerWaalsContact N-O 3.09Å; D657-K660 WeakPolarHBondContact O-CB 3.23Å; D657-K660 PolarHBondContact O-N 3.47Å; K658-K660 PolarHBondContact O-N 2.83Å; K658-K660 VanDerWaalsContact O-N 3.11Å
661	L	94.6	Very high	94	Very high	13 Å²	13	60.1 Å²	60.1	7%	0.068	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124.9	-177.7	-164.8	68.4	0	0	0	110.1	W625 L654 A655 C656 V672 A674 L677 L705	W625-L661 HydrophobicContact CH2-CD1 3.62Å; W625-L661 HydrophobicContact CZ2-CD1 4.28Å; W625-L661 HydrophobicContact CZ3-CD1 4.28Å; L654-L661 HydrophobicContact CD1-CD1 4.17Å; L654-L661 HydrophobicContact CD1-CD2 4.36Å; L654-L661 HydrophobicContact CD1-CG 3.97Å; L654-L661 HydrophobicContact CD2-CD1 3.95Å; L654-L661 HydrophobicContact CD2-CD2 4.3Å; L654-L661 HydrophobicContact CD2-CG 4.36Å; L654-L661 HydrophobicContact CG-CD1 3.81Å; L654-L661 HydrophobicContact CG-CG 4.16Å; A655-L661 WeakPolarHBondContact O-CA 3.34Å; C656-L661 HydrophobicContact CB-CD1 4.32Å; L661-V672 HydrophobicContact CB-CB 4.22Å; L661-V672 HydrophobicContact CD2-CB 4.02Å; L661-V672 HydrophobicContact CD2-CG1 3.63Å; L661-V672 HydrophobicContact CG-CB 4.01Å; L661-V672 HydrophobicContact CG-CG1 4.17Å; L661-V672 PolarHBondContact O-N 2.93Å; L661-A674 HydrophobicContact CD2-CB 3.66Å; L661-L677 HydrophobicContact CD1-CD2 3.96Å; L661-L677 HydrophobicContact CD2-CD2 3.75Å; L661-L705 HydrophobicContact CD2-CD1 4.36Å; L661-L705 HydrophobicContact CD2-CD2 4.39Å
662	E	96.3	Very high	93.9	Very high	72 Å²	72	61 Å²	61	34%	0.336	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	138.4	-178.3	-65.6	-177.7	173.7	0	0	110.2	L654 A655 L664 A670	L654-E662 CarbonylContact C-O 3.58Å; A655-E662 PolarHBondContact N-O 3.19Å; A655-E662 PolarHBondContact O-N 3.28Å; E662-L664 HydrophobicContact CB-CD1 4Å; E662-L664 WeakPolarHBondContact O-CD1 3.09Å; E662-A670 WeakPolarHBondContact CA-O 3.26Å
663	A	97.4	Very high	93.5	Very high	1 Å²	1	72.1 Å²	72.1	1%	0.008	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	128.3	165.6	0	0	0	0	0	108.5	C653 L654 T669 A670 V672 H706 Y708	C653-A663 WeakPolarHBondContact O-CA 3.31Å; L654-A663 HydrophobicContact CD1-CB 4.42Å; A663-T669 CarbonylContact O-C 3.55Å; A663-T669 WeakPolarHBondContact O-CA 3.24Å; A663-A670 HydrophobicContact CB-CB 4.45Å; A663-A670 PolarHBondContact N-O 3.25Å; A663-A670 PolarHBondContact O-N 2.93Å; A663-V672 HydrophobicContact CB-CG2 4.12Å; A663-H706 HydrophobicContact CB-CB 4.04Å; A663-H706 VanDerWaalsContact CB-CG 3.48Å; A663-Y708 VanDerWaalsContact C-OH 3.32Å; A663-Y708 WeakPolarHBondContact CB-OH 3.16Å
664	L	97.1	Very high	92.9	Very high	19 Å²	19	73.5 Å²	73.5	10%	0.099	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.7	178.5	-56.8	92.6	0	0	0	113.1	C653 A655 E662 E668 T669 Y708	C653-L664 PolarHBondContact N-O 2.9Å; C653-L664 PolarHBondContact O-N 3.45Å; A655-L664 HydrophobicContact CB-CD1 3.4Å; A655-L664 VanDerWaalsContact CB-CD1 3.4Å; E662-L664 HydrophobicContact CB-CD1 4Å; E662-L664 WeakPolarHBondContact O-CD1 3.09Å; L664-E668 WeakPolarHBondContact CA-O 3.45Å; L664-T669 HydrophobicContact CD2-CG2 3.62Å; L664-T669 HydrophobicContact CG-CG2 3.77Å; L664-Y708 PolarHBondContact N-OH 3Å; L664-Y708 PolarHBondContact O-OH 2.94Å; L664-Y708 VanDerWaalsContact O-OH 3.09Å
665	H	96.1	Very high	92.1	Very high	37 Å²	37	81.2 Å²	81.2	17%	0.171	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	140.1	167.5	170	61.6	0	0	0	108.8	G646 S649 S651 W652 K667 E668 Y708	G646-H665 CarbonylContact O-C 3.59Å; G646-H665 VanDerWaalsContact O-C 3.28Å; G646-H665 WeakPolarHBondContact O-CA 3.44Å; G646-H665 PolarHBondContact O-N 3.13Å; S649-H665 PolarHBondContact O-CE1 2.87Å; S651-H665 PolarHBondContact O-ND1 2.79Å; W652-H665 AromaticContact CD1-CE1 3.93Å; W652-H665 AromaticContact CD1-CG 3.43Å; W652-H665 VanDerWaalsContact CD1-CG 3.43Å; W652-H665 AromaticContact CD1-ND1 3.36Å; W652-H665 AromaticContact CD2-ND1 3.81Å; W652-H665 AromaticContact CE2-CE1 3.33Å; W652-H665 AromaticContact CE2-ND1 3.43Å; W652-H665 HydrophobicContact CG-CB 4.35Å; W652-H665 AromaticContact CG-ND1 3.74Å; W652-H665 AromaticContact CZ2-CE1 3.5Å; W652-H665 VanDerWaalsContact CZ2-CE1 3.5Å; W652-H665 WeakPolarHBondContact CZ2-CE1 3.39Å; W652-H665 AromaticContact NE1-CD2 3.69Å; W652-H665 AromaticContact NE1-CE1 3.22Å; W652-H665 PolarHBondContact NE1-CE1 2.97Å; W652-H665 AromaticContact NE1-CG 3.42Å; W652-H665 AromaticContact NE1-ND1 3.14Å; W652-H665 PolarHBondContact NE1-ND1 3.43Å; W652-H665 VanDerWaalsContact NE1-ND1 3.14Å; W652-H665 AromaticContact NE1-NE2 3.56Å; H665-K667 PolarHBondContact O-N 3.25Å; H665-E668 PolarHBondContact N-O 3.39Å; H665-E668 WeakPolarHBondContact O-CB 3.37Å; H665-E668 PolarHBondContact O-N 3.32Å; H665-Y708 HydrophobicContact CB-CD1 4.38Å; H665-Y708 HydrophobicContact CB-CE1 3.66Å
666	N	94.4	Very high	91.4	Very high	70 Å²	70	83.7 Å²	83.7	37%	0.374	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	30.9	176.5	-161.3	41.5	0	0	0	115.6	G646 N648 S649 E668	G646-N666 PolarHBondContact O-N 2.91Å; N648-N666 WeakPolarHBondContact O-CA 3.33Å; N648-N666 PolarHBondContact O-N 2.76Å; N648-N666 VanDerWaalsContact O-N 3.11Å; S649-N666 PolarHBondContact N-OD1 3.48Å; N666-E668 PolarHBondContact O-N 2.78Å
667	K	91.3	Very high	91.2	Very high	121 Å²	121	83.8 Å²	83.8	53%	0.526	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	-8.5	-172.7	-44	174.5	178.7	-165.7	0	116.2	D641 G646 C647 H665	D641-K667 VanDerWaalsContact CB-CE 3.44Å; D641-K667 VanDerWaalsContact CG-NZ 3.34Å; D641-K667 VanDerWaalsContact OD2-CE 3.23Å; D641-K667 WeakPolarHBondContact OD2-CE 3.47Å; D641-K667 IonicContact OD2-NZ 3.52Å; D641-K667 PolarHBondContact OD2-NZ 3.27Å; G646-K667 PolarHBondContact O-N 2.89Å; G646-K667 VanDerWaalsContact O-N 3.09Å; C647-K667 HydrophobicContact CB-CG 4.18Å; C647-K667 WeakPolarHBondContact O-CE 3.38Å; C647-K667 WeakPolarHBondContact O-CG 3.49Å; H665-K667 PolarHBondContact O-N 3.25Å
668	E	93.4	Very high	91.3	Very high	143 Å²	143	85.9 Å²	85.9	67%	0.668	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	141	169.2	-61.6	177.2	-167	0	0	108.9	L664 H665 N666	L664-E668 WeakPolarHBondContact CA-O 3.45Å; H665-E668 PolarHBondContact N-O 3.39Å; H665-E668 WeakPolarHBondContact O-CB 3.37Å; H665-E668 PolarHBondContact O-N 3.32Å; N666-E668 PolarHBondContact O-N 2.78Å
669	T	94.7	Very high	91.6	Very high	86 Å²	86	81.9 Å²	81.9	53%	0.528	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	137.9	179.8	72.1	0	0	0	0	111.3	A663 L664	A663-T669 CarbonylContact O-C 3.55Å; A663-T669 WeakPolarHBondContact O-CA 3.24Å; L664-T669 HydrophobicContact CD2-CG2 3.62Å; L664-T669 HydrophobicContact CG-CG2 3.77Å
670	A	95.7	Very high	92.3	Very high	37 Å²	37	74.2 Å²	74.2	31%	0.306	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	121.9	172.9	0	0	0	0	0	109.3	E662 A663	E662-A670 WeakPolarHBondContact CA-O 3.26Å; A663-A670 HydrophobicContact CB-CB 4.45Å; A663-A670 PolarHBondContact N-O 3.25Å; A663-A670 PolarHBondContact O-N 2.93Å
671	A	94.6	Very high	92.5	Very high	93 Å²	93	67 Å²	67	77%	0.769	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	131.4	177.9	0	0	0	0	0	110.9
672	V	94.1	Very high	92.7	Very high	19 Å²	19	66.3 Å²	66.3	12%	0.115	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	141.7	-178.4	-180	0	0	0	0	109.1	L654 L661 A663 L705 H706	L654-V672 HydrophobicContact CD1-CB 4.49Å; L654-V672 HydrophobicContact CD1-CG2 3.96Å; L661-V672 HydrophobicContact CB-CB 4.22Å; L661-V672 HydrophobicContact CD2-CB 4.02Å; L661-V672 HydrophobicContact CD2-CG1 3.63Å; L661-V672 HydrophobicContact CG-CB 4.01Å; L661-V672 HydrophobicContact CG-CG1 4.17Å; L661-V672 PolarHBondContact O-N 2.93Å; A663-V672 HydrophobicContact CB-CG2 4.12Å; V672-L705 HydrophobicContact CG1-CB 3.84Å; V672-L705 HydrophobicContact CG1-CD2 3.97Å; V672-L705 HydrophobicContact CG1-CG 4.46Å; V672-H706 HydrophobicContact CG2-CB 4.28Å
673	R	88.3	Confident	92.6	Very high	240 Å²	240	63.6 Å²	63.6	91%	0.906	34%	0.341	S	S	*	.			trans	-101.4	120.1	174.2	-63.9	-174.4	-178.7	116.8	-0.3	109.7
674	A	85.5	Confident	92.6	Very high	29 Å²	29	63.6 Å²	63.6	24%	0.24	34%	0.341	C	S	.	.			trans	-153.9	132.4	169.8	0	0	0	0	0	108.7	L661 L677 L705	L661-A674 HydrophobicContact CD2-CB 3.66Å; A674-L677 HydrophobicContact CB-CB 4.22Å; A674-L705 HydrophobicContact CB-CD2 3.67Å
675	D	80.6	Confident	92.5	Very high	162 Å²	162	63.2 Å²	63.2	87%	0.866	34%	0.339	S	S	*	.	S	Bend	trans	-112.7	124.8	178.8	-67.9	-54.6	0	0	0	109.2	L677	D675-L677 VanDerWaalsContact C-N 3.34Å; D675-L677 PolarHBondContact O-N 2.88Å
676	G	82.7	Confident	92.4	Very high	61 Å²	61	63.1 Å²	63.1	63%	0.629	34%	0.338	S	S	*	.	S	Bend	trans	73.4	16.9	178	0	0	0	0	0	115.9	Q678	G676-Q678 PolarHBondContact O-N 3.07Å
677	L	89.9	Confident	92.3	Very high	21 Å²	21	66 Å²	66	11%	0.11	35%	0.35	C	S	.	.			trans	-48.2	115.2	178.8	177.2	66	0	0	0	112.7	V618 W625 L661 A674 D675 R679 V680 D695 L705	V618-L677 HydrophobicContact CG2-CG 4.09Å; V618-L677 WeakPolarHBondContact CG2-O 3.22Å; W625-L677 HydrophobicContact CH2-CD2 3.97Å; W625-L677 HydrophobicContact CZ2-CD2 4.21Å; L661-L677 HydrophobicContact CD1-CD2 3.96Å; L661-L677 HydrophobicContact CD2-CD2 3.75Å; A674-L677 HydrophobicContact CB-CB 4.22Å; D675-L677 VanDerWaalsContact C-N 3.34Å; D675-L677 PolarHBondContact O-N 2.88Å; L677-R679 WeakPolarHBondContact CD1-O 3.4Å; L677-V680 HydrophobicContact CD1-CG2 4.22Å; L677-V680 HydrophobicContact CD2-CG2 3.94Å; L677-V680 HydrophobicContact CG-CG2 4.36Å; L677-D695 HydrophobicContact CD1-CB 3.86Å; L677-L705 HydrophobicContact CD1-CD1 4.22Å; L677-L705 HydrophobicContact CD2-CD1 4.38Å
678	Q	91.6	Very high	92.3	Very high	112 Å²	112	66.5 Å²	66.5	52%	0.523	35%	0.354	S	S	.	.			trans	-108.7	-21.2	177	-72.1	174.6	10.7	0	0	113.5	V618 V620 G676	V618-Q678 VanDerWaalsContact CG2-C 3.46Å; V618-Q678 WeakPolarHBondContact CG2-O 3.08Å; V618-Q678 PolarHBondContact N-O 2.78Å; V620-Q678 HydrophobicContact CG2-CG 4.42Å; G676-Q678 PolarHBondContact O-N 3.07Å
679	R	93.8	Very high	92.3	Very high	70 Å²	70	60.3 Å²	60.3	26%	0.264	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	123.5	-174.8	-166.6	-176.3	-67.1	-140.2	-1.9	111.5	R548 E615 V616 L677 A696	R548-R679 VanDerWaalsContact NH2-NH1 3.14Å; E615-R679 HydrophobicContact CB-CG 4.17Å; E615-R679 WeakPolarHBondContact OE2-CD 3.5Å; E615-R679 IonicContact OE2-CZ 3.17Å; E615-R679 IonicContact OE2-NE 3.96Å; E615-R679 IonicContact OE2-NH1 3.78Å; E615-R679 PolarHBondContact OE2-NH1 3.21Å; V616-R679 WeakPolarHBondContact O-CA 3.47Å; L677-R679 WeakPolarHBondContact CD1-O 3.4Å; R679-A696 HydrophobicContact CB-CB 4.19Å; R679-A696 HydrophobicContact CG-CB 4.02Å; R679-A696 PolarHBondContact O-N 3.26Å
680	V	95.6	Very high	92.3	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	114.1	174.5	178.6	0	0	0	0	108.8	E615 V616 V618 W625 V627 L654 L677 V682 F693 F694	E615-V680 CarbonylContact C-O 3.18Å; E615-V680 WeakPolarHBondContact CA-O 3.46Å; V616-V680 PolarHBondContact N-O 2.97Å; V616-V680 PolarHBondContact O-N 2.95Å; V618-V680 HydrophobicContact CG1-CG2 3.83Å; W625-V680 HydrophobicContact CH2-CG2 3.93Å; W625-V680 HydrophobicContact CZ3-CG2 4.33Å; V627-V680 HydrophobicContact CG1-CG1 4.21Å; L654-V680 HydrophobicContact CD2-CG1 4Å; L654-V680 HydrophobicContact CD2-CG2 3.99Å; L677-V680 HydrophobicContact CD1-CG2 4.22Å; L677-V680 HydrophobicContact CD2-CG2 3.94Å; L677-V680 HydrophobicContact CG-CG2 4.36Å; V680-V682 HydrophobicContact CG1-CG2 3.93Å; V680-F693 HydrophobicContact CG1-CD1 4Å; V680-F694 WeakPolarHBondContact CA-O 3.08Å
681	G	95.6	Very high	92.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	136.3	162.5	0	0	0	0	0	109.9	F693 F694	G681-F693 CarbonylContact O-C 3.47Å; G681-F693 WeakPolarHBondContact O-CA 3.4Å; G681-F694 PolarHBondContact N-O 3.31Å; G681-F694 PolarHBondContact O-N 3.02Å
682	V	97.3	Very high	92.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125.4	176.5	-166.6	0	0	0	0	108.8	Y613 W614 V627 V680 L691 F693	Y613-V682 VanDerWaalsContact CA-O 3.29Å; Y613-V682 WeakPolarHBondContact CA-O 3.17Å; Y613-V682 WeakPolarHBondContact CD2-O 3.36Å; W614-V682 HydrophobicContact CD2-CB 4.07Å; W614-V682 HydrophobicContact CE3-CB 4.26Å; W614-V682 HydrophobicContact CH2-CB 3.75Å; W614-V682 HydrophobicContact CH2-CG1 3.36Å; W614-V682 HydrophobicContact CZ2-CB 3.59Å; W614-V682 HydrophobicContact CZ2-CG1 3.52Å; W614-V682 HydrophobicContact CZ2-CG2 4Å; W614-V682 HydrophobicContact CZ3-CB 4.1Å; W614-V682 HydrophobicContact CZ3-CG1 3.99Å; W614-V682 PolarHBondContact N-O 3.4Å; W614-V682 PolarHBondContact O-N 2.83Å; V627-V682 HydrophobicContact CG1-CG2 3.78Å; V680-V682 HydrophobicContact CG1-CG2 3.93Å; V682-L691 HydrophobicContact CG1-CD1 3.62Å; V682-F693 HydrophobicContact CG1-CD1 4.13Å; V682-F693 HydrophobicContact CG1-CE1 3.83Å; V682-F693 HydrophobicContact CG1-CZ 4.2Å; V682-F693 HydrophobicContact CG2-CD1 3.9Å; V682-F693 HydrophobicContact CG2-CE1 3.92Å
683	F	95.9	Very high	92.6	Very high	15 Å²	15	49.9 Å²	49.9	7%	0.066	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.8	177.1	179.5	-116.5	0	0	0	110.2	Y551 Y555 R611 W612 Y613 D685 L691 S692 F694	Y551-F683 AromaticContact CD1-CD2 3.59Å; Y551-F683 HydrophobicContact CD1-CD2 3.59Å; Y551-F683 AromaticContact CD1-CE2 3.82Å; Y551-F683 HydrophobicContact CD1-CE2 3.82Å; Y551-F683 HydrophobicContact CD1-CG 4.09Å; Y551-F683 HydrophobicContact CD1-CZ 4.5Å; Y551-F683 HydrophobicContact CE1-CB 4.39Å; Y551-F683 AromaticContact CE1-CD1 3.95Å; Y551-F683 HydrophobicContact CE1-CD1 3.95Å; Y551-F683 AromaticContact CE1-CD2 3.57Å; Y551-F683 HydrophobicContact CE1-CD2 3.57Å; Y551-F683 HydrophobicContact CE1-CE1 4.05Å; Y551-F683 AromaticContact CE1-CE2 3.69Å; Y551-F683 HydrophobicContact CE1-CE2 3.69Å; Y551-F683 AromaticContact CE1-CG 3.7Å; Y551-F683 HydrophobicContact CE1-CG 3.7Å; Y551-F683 AromaticContact CE1-CZ 3.93Å; Y551-F683 HydrophobicContact CE1-CZ 3.93Å; Y555-F683 AromaticContact CD2-CE2 3.78Å; Y555-F683 HydrophobicContact CD2-CE2 3.78Å; Y555-F683 HydrophobicContact CE2-CE2 4.24Å; Y555-F683 HydrophobicContact CG-CE2 4.12Å; R611-F683 HydrophobicContact CB-CE2 4.03Å; R611-F683 HydrophobicContact CB-CZ 4.22Å; R611-F683 HydrophobicContact CG-CE2 4.1Å; R611-F683 HydrophobicContact CG-CZ 3.76Å; W612-F683 CarbonylContact O-C 3.52Å; W612-F683 WeakPolarHBondContact O-CA 3.28Å; W612-F683 VanDerWaalsContact O-CD2 3.28Å; W612-F683 WeakPolarHBondContact O-CD2 3.49Å; Y613-F683 HydrophobicContact CD2-CB 4.19Å; F683-D685 HydrophobicContact CE1-CB 3.83Å; F683-D685 HydrophobicContact CZ-CB 4.08Å; F683-L691 CarbonylContact O-C 3.49Å; F683-L691 WeakPolarHBondContact O-CA 3.38Å; F683-L691 WeakPolarHBondContact O-CD1 3.4Å; F683-S692 PolarHBondContact N-O 3.33Å; F683-S692 PolarHBondContact O-N 2.92Å; F683-F694 HydrophobicContact CB-CD2 4.48Å; F683-F694 HydrophobicContact CB-CE2 3.82Å
684	L	96.4	Very high	92.9	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	124.5	176.7	174.7	65	0	0	0	109.4	L607 R611 W612 W614 L629 F686 L691 F712 L716	L607-L684 HydrophobicContact CB-CD2 4.13Å; L607-L684 HydrophobicContact CD1-CD2 3.93Å; R611-L684 CarbonylContact C-O 3.28Å; R611-L684 VanDerWaalsContact CA-O 3.32Å; R611-L684 WeakPolarHBondContact CA-O 3.32Å; W612-L684 HydrophobicContact CB-CB 4.49Å; W612-L684 PolarHBondContact N-O 3.18Å; W612-L684 PolarHBondContact O-N 2.81Å; W614-L684 HydrophobicContact CZ3-CB 4.36Å; L629-L684 HydrophobicContact CD1-CB 4.22Å; L629-L684 HydrophobicContact CD1-CD1 3.84Å; L629-L684 HydrophobicContact CD1-CD2 3.75Å; L629-L684 HydrophobicContact CD1-CG 4.15Å; L684-F686 HydrophobicContact CD2-CD2 4.14Å; L684-F686 HydrophobicContact CD2-CE2 3.38Å; L684-F686 HydrophobicContact CD2-CZ 3.7Å; L684-F686 HydrophobicContact CG-CD2 4.13Å; L684-F686 HydrophobicContact CG-CE2 3.88Å; L684-F686 HydrophobicContact CG-CZ 4.43Å; L684-L691 HydrophobicContact CB-CD1 4.45Å; L684-L691 HydrophobicContact CD1-CB 4.43Å; L684-L691 HydrophobicContact CD1-CD1 4.49Å; L684-F712 HydrophobicContact CD1-CD2 3.76Å; L684-F712 HydrophobicContact CD1-CE2 3.84Å; L684-F712 HydrophobicContact CD1-CG 4.3Å; L684-F712 HydrophobicContact CD1-CZ 4.43Å; L684-L716 HydrophobicContact CD1-CD1 3.95Å; L684-L716 HydrophobicContact CD2-CB 4.28Å; L684-L716 HydrophobicContact CD2-CD1 3.99Å
685	D	95.1	Very high	93.3	Very high	12 Å²	12	38.9 Å²	38.9	6%	0.064	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	109.7	177.2	-163.2	-37.6	0	0	0	110	R611 F683 E687 E688 G689 S690	R611-D685 WeakPolarHBondContact CD-OD2 3.21Å; R611-D685 HydrophobicContact CG-CB 3.97Å; R611-D685 VanDerWaalsContact CG-OD2 3.3Å; R611-D685 WeakPolarHBondContact CG-OD2 3.41Å; F683-D685 HydrophobicContact CE1-CB 3.83Å; F683-D685 HydrophobicContact CZ-CB 4.08Å; D685-E687 WeakPolarHBondContact OD1-CA 3.46Å; D685-E687 WeakPolarHBondContact OD1-CB 3.29Å; D685-E687 PolarHBondContact OD1-N 2.99Å; D685-E688 HydrophobicContact CB-CB 4.39Å; D685-E688 PolarHBondContact OD1-N 2.9Å; D685-G689 WeakPolarHBondContact O-CA 3.44Å; D685-G689 PolarHBondContact O-N 3.21Å; D685-G689 VanDerWaalsContact O-N 3.13Å; D685-S690 PolarHBondContact N-O 3.33Å; D685-S690 PolarHBondContact O-N 3.46Å
686	F	94.4	Very high	93.7	Very high	34 Å²	34	31.2 Å²	31.2	15%	0.149	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-19.6	174.8	-71.7	-92.3	0	0	0	112.6	L607 G609 G610 W612 L684 F712 L716	L607-F686 HydrophobicContact CB-CE2 4.28Å; L607-F686 WeakPolarHBondContact O-CZ 3.47Å; G609-F686 VanDerWaalsContact C-CD2 3.4Å; G609-F686 VanDerWaalsContact O-CD2 3.29Å; G609-F686 WeakPolarHBondContact O-CD2 3.39Å; G610-F686 WeakPolarHBondContact O-CB 3.45Å; G610-F686 PolarHBondContact O-N 3.4Å; W612-F686 AromaticContact CD1-CE2 3.74Å; W612-F686 AromaticContact NE1-CE2 3.8Å; L684-F686 HydrophobicContact CD2-CD2 4.14Å; L684-F686 HydrophobicContact CD2-CE2 3.38Å; L684-F686 HydrophobicContact CD2-CZ 3.7Å; L684-F686 HydrophobicContact CG-CD2 4.13Å; L684-F686 HydrophobicContact CG-CE2 3.88Å; L684-F686 HydrophobicContact CG-CZ 4.43Å; F686-F712 HydrophobicContact CD1-CB 3.74Å; F686-F712 WeakPolarHBondContact CD1-O 3.5Å; F686-F712 HydrophobicContact CE1-CB 3.93Å; F686-L716 HydrophobicContact CE1-CD1 4.19Å; F686-L716 HydrophobicContact CZ-CB 4.49Å; F686-L716 HydrophobicContact CZ-CD1 4.17Å
687	E	91.6	Very high	93.7	Very high	131 Å²	131	29.8 Å²	29.8	61%	0.612	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-42.8	-178.7	-60.3	174.2	-126.4	0	0	111.3	R611 D685	R611-E687 IonicContact CZ-OE1 3.81Å; R611-E687 IonicContact NE-OE1 3.79Å; R611-E687 PolarHBondContact NE-OE1 2.93Å; R611-E687 IonicContact NH2-OE1 3.66Å; R611-E687 PolarHBondContact NH2-OE1 3.24Å; R611-E687 IonicContact NH2-OE2 2.66Å; R611-E687 PolarHBondContact NH2-OE2 2.97Å; D685-E687 WeakPolarHBondContact OD1-CA 3.46Å; D685-E687 WeakPolarHBondContact OD1-CB 3.29Å; D685-E687 PolarHBondContact OD1-N 2.99Å
688	E	91.9	Very high	92.7	Very high	132 Å²	132	34.3 Å²	34.3	62%	0.617	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-4.3	175.4	-145.5	-159.5	126.9	0	0	113.4	D685 K709	D685-E688 HydrophobicContact CB-CB 4.39Å; D685-E688 PolarHBondContact OD1-N 2.9Å; E688-K709 IonicContact OE1-NZ 3.59Å; E688-K709 PolarHBondContact OE1-NZ 3.49Å
689	G	93.8	Very high	91.6	Very high	13 Å²	13	32.5 Å²	32.5	13%	0.134	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	55.4	-179.8	0	0	0	0	0	112.7	D685 K709 H710	D685-G689 WeakPolarHBondContact O-CA 3.44Å; D685-G689 PolarHBondContact O-N 3.21Å; D685-G689 VanDerWaalsContact O-N 3.13Å; G689-K709 WeakPolarHBondContact O-CA 3.3Å; G689-H710 CarbonylContact C-O 3.5Å; G689-H710 WeakPolarHBondContact CA-O 3.37Å; G689-H710 PolarHBondContact O-N 3.13Å
690	S	95.1	Very high	90.7	Very high	4 Å²	4	30.5 Å²	30.5	3%	0.028	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	150.4	-177.2	71.4	0	0	0	0	115.8	D685 Y708 K709	D685-S690 PolarHBondContact N-O 3.33Å; D685-S690 PolarHBondContact O-N 3.46Å; S690-Y708 VanDerWaalsContact CA-O 3.29Å; S690-Y708 WeakPolarHBondContact CA-O 3.48Å; S690-Y708 WeakPolarHBondContact CB-O 3.18Å; S690-K709 VanDerWaalsContact CB-CD 3.49Å; S690-K709 PolarHBondContact OG-NZ 3.37Å
691	L	96.9	Very high	90	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	109	178.7	169.6	61	0	0	0	108.3	L629 W652 V682 F683 L684 F693 S707 Y708 F712	L629-L691 HydrophobicContact CD1-CD1 3.56Å; L629-L691 HydrophobicContact CD1-CD2 3.9Å; L629-L691 HydrophobicContact CD1-CG 4.3Å; L629-L691 HydrophobicContact CG-CD1 4.5Å; W652-L691 HydrophobicContact CB-CD2 3.46Å; W652-L691 VanDerWaalsContact CB-CD2 3.46Å; W652-L691 HydrophobicContact CG-CD2 4Å; V682-L691 HydrophobicContact CG1-CD1 3.62Å; F683-L691 CarbonylContact O-C 3.49Å; F683-L691 WeakPolarHBondContact O-CA 3.38Å; F683-L691 WeakPolarHBondContact O-CD1 3.4Å; L684-L691 HydrophobicContact CB-CD1 4.45Å; L684-L691 HydrophobicContact CD1-CB 4.43Å; L684-L691 HydrophobicContact CD1-CD1 4.49Å; L691-F693 HydrophobicContact CD1-CE2 4.16Å; L691-F693 HydrophobicContact CD1-CZ 4.28Å; L691-F693 HydrophobicContact CD2-CE2 3.9Å; L691-F693 HydrophobicContact CD2-CZ 4.12Å; L691-F693 HydrophobicContact CG-CD2 4.49Å; L691-F693 HydrophobicContact CG-CE2 3.71Å; L691-F693 HydrophobicContact CG-CZ 4.18Å; L691-S707 CarbonylContact O-C 3.59Å; L691-S707 WeakPolarHBondContact O-CA 3.13Å; L691-Y708 HydrophobicContact CB-CD2 4.44Å; L691-Y708 HydrophobicContact CD2-CD2 4.03Å; L691-Y708 HydrophobicContact CG-CD2 4.24Å; L691-Y708 PolarHBondContact N-O 2.83Å; L691-Y708 PolarHBondContact O-N 3.39Å; L691-F712 HydrophobicContact CB-CE2 3.95Å; L691-F712 HydrophobicContact CB-CZ 3.79Å
692	S	96.1	Very high	89.7	Confident	12 Å²	12	34.1 Å²	34.1	8%	0.084	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.6	-175.4	-62.5	0	0	0	0	111.2	F683 H706 S707	F683-S692 PolarHBondContact N-O 3.33Å; F683-S692 PolarHBondContact O-N 2.92Å; S692-H706 CarbonylContact C-O 3.59Å; S692-H706 WeakPolarHBondContact CA-O 3.25Å; S692-S707 PolarHBondContact OG-OG 3.04Å
693	F	96.9	Very high	89.4	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	137.3	173.7	-65.8	-94.6	0	0	0	108.9	V627 L654 V680 G681 V682 L691 L705 H706 Y708	V627-F693 WeakPolarHBondContact O-CE1 3.42Å; L654-F693 HydrophobicContact CB-CD1 3.65Å; L654-F693 HydrophobicContact CB-CE1 3.88Å; L654-F693 HydrophobicContact CB-CG 4.1Å; L654-F693 HydrophobicContact CD2-CB 4.29Å; L654-F693 HydrophobicContact CD2-CD1 4.3Å; V680-F693 HydrophobicContact CG1-CD1 4Å; G681-F693 CarbonylContact O-C 3.47Å; G681-F693 WeakPolarHBondContact O-CA 3.4Å; V682-F693 HydrophobicContact CG1-CD1 4.13Å; V682-F693 HydrophobicContact CG1-CE1 3.83Å; V682-F693 HydrophobicContact CG1-CZ 4.2Å; V682-F693 HydrophobicContact CG2-CD1 3.9Å; V682-F693 HydrophobicContact CG2-CE1 3.92Å; L691-F693 HydrophobicContact CD1-CE2 4.16Å; L691-F693 HydrophobicContact CD1-CZ 4.28Å; L691-F693 HydrophobicContact CD2-CE2 3.9Å; L691-F693 HydrophobicContact CD2-CZ 4.12Å; L691-F693 HydrophobicContact CG-CD2 4.49Å; L691-F693 HydrophobicContact CG-CE2 3.71Å; L691-F693 HydrophobicContact CG-CZ 4.18Å; F693-L705 HydrophobicContact CB-CB 4.34Å; F693-L705 WeakPolarHBondContact O-CB 3.12Å; F693-L705 PolarHBondContact O-N 2.83Å; F693-H706 PolarHBondContact N-O 3.22Å; F693-H706 PolarHBondContact O-N 3.05Å; F693-Y708 HydrophobicContact CD2-CE2 4.36Å; F693-Y708 HydrophobicContact CE2-CD2 4Å; F693-Y708 AromaticContact CE2-CE2 3.73Å; F693-Y708 HydrophobicContact CE2-CE2 3.73Å
694	F	94.3	Very high	89.2	Confident	12 Å²	12	41 Å²	41	5%	0.053	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	147.9	-176.9	-61.2	-88	0	0	0	111.3	V680 G681 F683 L702 A703 L704 L705	V680-F694 WeakPolarHBondContact CA-O 3.08Å; G681-F694 PolarHBondContact N-O 3.31Å; G681-F694 PolarHBondContact O-N 3.02Å; F683-F694 HydrophobicContact CB-CD2 4.48Å; F683-F694 HydrophobicContact CB-CE2 3.82Å; F694-L702 HydrophobicContact CB-CB 4.16Å; F694-L702 HydrophobicContact CB-CD2 4.12Å; F694-L702 HydrophobicContact CB-CG 4.5Å; F694-L702 HydrophobicContact CD1-CB 3.74Å; F694-L702 HydrophobicContact CD1-CD1 4.36Å; F694-L702 HydrophobicContact CD2-CD1 4.26Å; F694-L702 HydrophobicContact CE1-CB 4.35Å; F694-L702 HydrophobicContact CG-CB 4.07Å; F694-L702 HydrophobicContact CG-CD1 4.15Å; F694-A703 CarbonylContact C-O 3.16Å; F694-A703 WeakPolarHBondContact CA-O 3.45Å; F694-L704 HydrophobicContact CD1-CB 4.14Å; F694-L704 HydrophobicContact CD1-CD1 4.04Å; F694-L704 HydrophobicContact CE1-CB 4.04Å; F694-L704 HydrophobicContact CE1-CD1 3.63Å; F694-L704 HydrophobicContact CE1-CG 4.45Å; F694-L704 HydrophobicContact CZ-CD1 3.96Å; F694-L705 VanDerWaalsContact C-CD1 3.45Å
695	D	93.1	Very high	89.1	Confident	25 Å²	25	42.2 Å²	42.2	13%	0.134	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	116.1	158	-166.9	-23.2	0	0	0	107	L677 T697 A703 L705	L677-D695 HydrophobicContact CD1-CB 3.86Å; D695-T697 PolarHBondContact O-N 3.16Å; D695-A703 HydrophobicContact CB-CB 4.33Å; D695-A703 PolarHBondContact N-O 3.4Å; D695-A703 PolarHBondContact O-N 3.28Å; D695-L705 HydrophobicContact CB-CD1 4.28Å; D695-L705 HydrophobicContact CB-CD2 4.19Å; D695-L705 HydrophobicContact CB-CG 4.27Å
696	A	90.6	Very high	89.2	Confident	2 Å²	2	43.7 Å²	43.7	2%	0.017	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	83	-176.7	0	0	0	0	0	109.1	E615 R679 L702	E615-A696 HydrophobicContact CG-CB 4.42Å; R679-A696 HydrophobicContact CB-CB 4.19Å; R679-A696 HydrophobicContact CG-CB 4.02Å; R679-A696 PolarHBondContact O-N 3.26Å; A696-L702 HydrophobicContact CB-CD2 3.89Å
697	T	81.4	Confident	89.2	Confident	31 Å²	31	44 Å²	44	19%	0.19	28%	0.276	C	S	.	.			trans	-65.2	154.3	-164.8	76	0	0	0	0	112.6	R548 D695 G699 G700 S701	R548-T697 PolarHBondContact NH1-O 3.45Å; D695-T697 PolarHBondContact O-N 3.16Å; T697-G699 PolarHBondContact O-N 2.98Å; T697-G699 PolarHBondContact OG1-N 3.07Å; T697-G700 PolarHBondContact O-N 2.85Å; T697-G700 VanDerWaalsContact O-N 3.12Å; T697-S701 PolarHBondContact N-O 2.89Å; T697-S701 PolarHBondContact OG1-N 2.77Å; T697-S701 PolarHBondContact OG1-O 2.7Å; T697-S701 PolarHBondContact OG1-OG 2.88Å
698	P	70.3	Confident	89.4	Confident	115 Å²	115	39.1 Å²	39.1	75%	0.747	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-27.7	171.5	-25.8	35.3	0	0	0	113.5	G700	P698-G700 VanDerWaalsContact C-N 3.26Å; P698-G700 PolarHBondContact O-N 3.32Å
699	G	66.8	Low	89.6	Confident	74 Å²	74	38.8 Å²	38.8	76%	0.763	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	11.7	177.7	0	0	0	0	0	115.4	T697 S701	T697-G699 PolarHBondContact O-N 2.98Å; T697-G699 PolarHBondContact OG1-N 3.07Å; G699-S701 VanDerWaalsContact C-N 3.35Å; G699-S701 PolarHBondContact O-N 2.73Å
700	G	75.3	Confident	89.5	Confident	29 Å²	29	42 Å²	42	30%	0.299	26%	0.26	S	S	.	.	S	Bend	trans	79.9	8.1	173.9	0	0	0	0	0	115.6	R548 T697 P698	R548-G700 WeakPolarHBondContact CB-O 3.46Å; T697-G700 PolarHBondContact O-N 2.85Å; T697-G700 VanDerWaalsContact O-N 3.12Å; P698-G700 VanDerWaalsContact C-N 3.26Å; P698-G700 PolarHBondContact O-N 3.32Å
701	S	82.3	Confident	89.4	Confident	59 Å²	59	46.2 Å²	46.2	41%	0.413	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-98.9	150.5	176.8	66	0	0	0	0	112.4	T697 G699	T697-S701 PolarHBondContact N-O 2.89Å; T697-S701 PolarHBondContact OG1-N 2.77Å; T697-S701 PolarHBondContact OG1-O 2.7Å; T697-S701 PolarHBondContact OG1-OG 2.88Å; G699-S701 VanDerWaalsContact C-N 3.35Å; G699-S701 PolarHBondContact O-N 2.73Å
702	L	88.9	Confident	89.1	Confident	16 Å²	16	47 Å²	47	8%	0.084	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.8	167.4	-63.5	-171.8	0	0	0	110.7	R548 Y551 Y613 F694 A696	R548-L702 HydrophobicContact CB-CD2 3.9Å; R548-L702 HydrophobicContact CB-CG 3.86Å; R548-L702 HydrophobicContact CG-CD2 3.76Å; R548-L702 HydrophobicContact CG-CG 4.24Å; Y551-L702 HydrophobicContact CD2-CD1 3.39Å; Y551-L702 HydrophobicContact CE2-CD1 3.65Å; Y551-L702 HydrophobicContact CG-CD1 4.11Å; Y613-L702 HydrophobicContact CE2-CD1 4.2Å; F694-L702 HydrophobicContact CB-CB 4.16Å; F694-L702 HydrophobicContact CB-CD2 4.12Å; F694-L702 HydrophobicContact CB-CG 4.5Å; F694-L702 HydrophobicContact CD1-CB 3.74Å; F694-L702 HydrophobicContact CD1-CD1 4.36Å; F694-L702 HydrophobicContact CD2-CD1 4.26Å; F694-L702 HydrophobicContact CE1-CB 4.35Å; F694-L702 HydrophobicContact CG-CB 4.07Å; F694-L702 HydrophobicContact CG-CD1 4.15Å; A696-L702 HydrophobicContact CB-CD2 3.89Å
703	A	90.1	Very high	88.7	Confident	50 Å²	50	51.9 Å²	51.9	41%	0.413	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.6	168.9	0	0	0	0	0	109.8	F694 D695 L705	F694-A703 CarbonylContact C-O 3.16Å; F694-A703 WeakPolarHBondContact CA-O 3.45Å; D695-A703 HydrophobicContact CB-CB 4.33Å; D695-A703 PolarHBondContact N-O 3.4Å; D695-A703 PolarHBondContact O-N 3.28Å; A703-L705 PolarHBondContact O-N 3.5Å
704	L	92.3	Very high	88.5	Confident	110 Å²	110	55.8 Å²	55.8	58%	0.576	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	121.6	-177.6	-177.8	69.9	0	0	0	110.9	F694	F694-L704 HydrophobicContact CD1-CB 4.14Å; F694-L704 HydrophobicContact CD1-CD1 4.04Å; F694-L704 HydrophobicContact CE1-CB 4.04Å; F694-L704 HydrophobicContact CE1-CD1 3.63Å; F694-L704 HydrophobicContact CE1-CG 4.45Å; F694-L704 HydrophobicContact CZ-CD1 3.96Å
705	L	94.4	Very high	88.5	Confident	25 Å²	25	57.6 Å²	57.6	13%	0.131	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-49.8	176.8	-66.5	176.5	0	0	0	111.5	L654 L661 V672 A674 L677 F693 F694 D695 A703	L654-L705 HydrophobicContact CD2-CD1 3.85Å; L661-L705 HydrophobicContact CD2-CD1 4.36Å; L661-L705 HydrophobicContact CD2-CD2 4.39Å; V672-L705 HydrophobicContact CG1-CB 3.84Å; V672-L705 HydrophobicContact CG1-CD2 3.97Å; V672-L705 HydrophobicContact CG1-CG 4.46Å; A674-L705 HydrophobicContact CB-CD2 3.67Å; L677-L705 HydrophobicContact CD1-CD1 4.22Å; L677-L705 HydrophobicContact CD2-CD1 4.38Å; F693-L705 HydrophobicContact CB-CB 4.34Å; F693-L705 WeakPolarHBondContact O-CB 3.12Å; F693-L705 PolarHBondContact O-N 2.83Å; F694-L705 VanDerWaalsContact C-CD1 3.45Å; D695-L705 HydrophobicContact CB-CD1 4.28Å; D695-L705 HydrophobicContact CB-CD2 4.19Å; D695-L705 HydrophobicContact CB-CG 4.27Å; A703-L705 PolarHBondContact O-N 3.5Å
706	H	95.9	Very high	88.8	Confident	43 Å²	43	56.5 Å²	56.5	20%	0.199	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	154.8	-179.4	-167.8	77.5	0	0	0	110.5	A663 V672 S692 F693 Y708	A663-H706 HydrophobicContact CB-CB 4.04Å; A663-H706 VanDerWaalsContact CB-CG 3.48Å; V672-H706 HydrophobicContact CG2-CB 4.28Å; S692-H706 CarbonylContact C-O 3.59Å; S692-H706 WeakPolarHBondContact CA-O 3.25Å; F693-H706 PolarHBondContact N-O 3.22Å; F693-H706 PolarHBondContact O-N 3.05Å; H706-Y708 AromaticContact CD2-CD2 3.9Å; H706-Y708 AromaticContact CD2-CE2 3.7Å; H706-Y708 AromaticContact CD2-CZ 3.78Å; H706-Y708 AromaticContact NE2-CD1 3.75Å; H706-Y708 AromaticContact NE2-CE1 3.56Å; H706-Y708 AromaticContact NE2-CZ 3.76Å
707	S	96.1	Very high	89.1	Confident	42 Å²	42	59.1 Å²	59.1	29%	0.294	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	124.5	171.3	-179.3	0	0	0	0	110.8	L691 S692	L691-S707 CarbonylContact O-C 3.59Å; L691-S707 WeakPolarHBondContact O-CA 3.13Å; S692-S707 PolarHBondContact OG-OG 3.04Å
708	Y	96.1	Very high	89.9	Confident	28 Å²	28	57.8 Å²	57.8	11%	0.11	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	142.7	166	-59.5	-81.1	0	0	0	109.9	W652 C653 A663 L664 H665 S690 L691 F693 H706	W652-Y708 HydrophobicContact CB-CD2 4.2Å; W652-Y708 HydrophobicContact CB-CE2 3.99Å; W652-Y708 AromaticContact CD1-CD1 3.86Å; W652-Y708 AromaticContact CD1-CD2 3.96Å; W652-Y708 AromaticContact CD1-CG 3.75Å; W652-Y708 HydrophobicContact CG-CD2 4.43Å; C653-Y708 PolarHBondContact O-OH 3.42Å; A663-Y708 VanDerWaalsContact C-OH 3.32Å; A663-Y708 WeakPolarHBondContact CB-OH 3.16Å; L664-Y708 PolarHBondContact N-OH 3Å; L664-Y708 PolarHBondContact O-OH 2.94Å; L664-Y708 VanDerWaalsContact O-OH 3.09Å; H665-Y708 HydrophobicContact CB-CD1 4.38Å; H665-Y708 HydrophobicContact CB-CE1 3.66Å; S690-Y708 VanDerWaalsContact CA-O 3.29Å; S690-Y708 WeakPolarHBondContact CA-O 3.48Å; S690-Y708 WeakPolarHBondContact CB-O 3.18Å; L691-Y708 HydrophobicContact CB-CD2 4.44Å; L691-Y708 HydrophobicContact CD2-CD2 4.03Å; L691-Y708 HydrophobicContact CG-CD2 4.24Å; L691-Y708 PolarHBondContact N-O 2.83Å; L691-Y708 PolarHBondContact O-N 3.39Å; F693-Y708 HydrophobicContact CD2-CE2 4.36Å; F693-Y708 HydrophobicContact CE2-CD2 4Å; F693-Y708 AromaticContact CE2-CE2 3.73Å; F693-Y708 HydrophobicContact CE2-CE2 3.73Å; H706-Y708 AromaticContact CD2-CD2 3.9Å; H706-Y708 AromaticContact CD2-CE2 3.7Å; H706-Y708 AromaticContact CD2-CZ 3.78Å; H706-Y708 AromaticContact NE2-CD1 3.75Å; H706-Y708 AromaticContact NE2-CE1 3.56Å; H706-Y708 AromaticContact NE2-CZ 3.76Å
709	K	95.4	Very high	91.2	Very high	125 Å²	125	52.4 Å²	52.4	54%	0.543	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.6	164.5	-69.9	-54.3	-163.4	175	0	108.6	E688 G689 S690	E688-K709 IonicContact OE1-NZ 3.59Å; E688-K709 PolarHBondContact OE1-NZ 3.49Å; G689-K709 WeakPolarHBondContact O-CA 3.3Å; S690-K709 VanDerWaalsContact CB-CD 3.49Å; S690-K709 PolarHBondContact OG-NZ 3.37Å
710	H	91.8	Very high	92.7	Very high	81 Å²	81	49.1 Å²	49.1	38%	0.375	28%	0.282	S	S	.	.			trans	-158.7	143.7	-174.7	-174.5	-86.1	0	0	0	110.4	W652 G689 F712	W652-H710 AromaticContact CZ2-CE1 3.79Å; W652-H710 AromaticContact CZ2-CG 3.93Å; W652-H710 AromaticContact CZ2-ND1 3.75Å; W652-H710 AromaticContact CZ2-NE2 3.97Å; G689-H710 CarbonylContact C-O 3.5Å; G689-H710 WeakPolarHBondContact CA-O 3.37Å; G689-H710 PolarHBondContact O-N 3.13Å; H710-F712 HydrophobicContact CB-CD1 4.46Å; H710-F712 HydrophobicContact CB-CE1 3.87Å; H710-F712 HydrophobicContact CB-CE2 4.28Å; H710-F712 HydrophobicContact CB-CZ 3.77Å; H710-F712 AromaticContact CG-CE1 3.98Å; H710-F712 AromaticContact ND1-CD1 3.54Å; H710-F712 AromaticContact ND1-CE1 3.59Å; H710-F712 WeakPolarHBondContact O-CD2 3.23Å; H710-F712 PolarHBondContact O-N 3.31Å
711	S	91.9	Very high	93.8	Very high	92 Å²	92	48.5 Å²	48.5	64%	0.643	27%	0.273	S	S	*	.			trans	-79.1	101.9	176.5	-165	0	0	0	0	110.1	C713	S711-C713 PolarHBondContact O-N 3.28Å
712	F	91.4	Very high	94.5	Very high	15 Å²	15	45.7 Å²	45.7	7%	0.066	25%	0.254	C	S	.	.			trans	-85.8	100.4	179.3	-59.6	-61.6	0	0	0	110.2	W652 L684 F686 L691 H710 L716	W652-F712 HydrophobicContact CD2-CE1 4.1Å; W652-F712 AromaticContact CE2-CE1 3.87Å; W652-F712 HydrophobicContact CE3-CE1 4.22Å; W652-F712 HydrophobicContact CH2-CD1 4.39Å; W652-F712 HydrophobicContact CH2-CE1 4.04Å; W652-F712 AromaticContact CZ2-CE1 3.86Å; W652-F712 HydrophobicContact CZ2-CE1 3.86Å; W652-F712 HydrophobicContact CZ3-CE1 4.2Å; L684-F712 HydrophobicContact CD1-CD2 3.76Å; L684-F712 HydrophobicContact CD1-CE2 3.84Å; L684-F712 HydrophobicContact CD1-CG 4.3Å; L684-F712 HydrophobicContact CD1-CZ 4.43Å; F686-F712 HydrophobicContact CD1-CB 3.74Å; F686-F712 WeakPolarHBondContact CD1-O 3.5Å; F686-F712 HydrophobicContact CE1-CB 3.93Å; L691-F712 HydrophobicContact CB-CE2 3.95Å; L691-F712 HydrophobicContact CB-CZ 3.79Å; H710-F712 HydrophobicContact CB-CD1 4.46Å; H710-F712 HydrophobicContact CB-CE1 3.87Å; H710-F712 HydrophobicContact CB-CE2 4.28Å; H710-F712 HydrophobicContact CB-CZ 3.77Å; H710-F712 AromaticContact CG-CE1 3.98Å; H710-F712 AromaticContact ND1-CD1 3.54Å; H710-F712 AromaticContact ND1-CE1 3.59Å; H710-F712 WeakPolarHBondContact O-CD2 3.23Å; H710-F712 PolarHBondContact O-N 3.31Å; F712-L716 HydrophobicContact CB-CD1 3.99Å; F712-L716 HydrophobicContact CD1-CD1 3.57Å; F712-L716 HydrophobicContact CE1-CD1 4.17Å; F712-L716 HydrophobicContact CG-CD1 3.81Å
713	C	87.5	Confident	94.7	Very high	115 Å²	115	46.2 Å²	46.2	78%	0.777	26%	0.259	S	S	*	.			trans	-102.6	-15.8	176.8	-58.9	0	0	0	0	113.7	S711	S711-C713 PolarHBondContact O-N 3.28Å
714	E	92.5	Very high	94.9	Very high	82 Å²	82	51 Å²	51	38%	0.383	27%	0.27	S	S	.	.	S	Bend	trans	-102	155.7	-177.5	-74.5	-175	-159	0	0	113	T631 Q633 L716	T631-E714 WeakPolarHBondContact CB-OE2 3.23Å; T631-E714 HydrophobicContact CG2-CB 3.95Å; T631-E714 PolarHBondContact OG1-OE2 2.72Å; Q633-E714 PolarHBondContact NE2-OE1 3.22Å; Q633-E714 PolarHBondContact NE2-OE2 2.68Å; E714-L716 PolarHBondContact O-N 3.39Å
715	P	95.6	Very high	95	Very high	50 Å²	50	46 Å²	46	33%	0.325	25%	0.245	S	C	.	.			trans	-57.3	128.8	167.9	-23.7	34.8	0	0	0	112.2	P606 Q608	P606-P715 HydrophobicContact CB-CB 3.75Å; P606-P715 HydrophobicContact CG-CB 4.27Å; Q608-P715 HydrophobicContact CG-CB 3.78Å; Q608-P715 HydrophobicContact CG-CG 4.02Å
716	L	97.5	Very high	95	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125	-177	-72.5	165.3	0	0	0	111.1	L607 L629 T631 W652 L684 F686 F712 E714	L607-L716 WeakPolarHBondContact CB-O 3.45Å; L607-L716 PolarHBondContact N-O 3.17Å; L607-L716 PolarHBondContact O-N 3.22Å; L629-L716 HydrophobicContact CB-CD2 4.42Å; L629-L716 HydrophobicContact CD1-CB 4.49Å; L629-L716 HydrophobicContact CD1-CD1 4.35Å; L629-L716 HydrophobicContact CD2-CB 4.1Å; T631-L716 HydrophobicContact CG2-CD2 3.7Å; W652-L716 HydrophobicContact CE3-CD2 4.28Å; W652-L716 HydrophobicContact CZ3-CD2 3.76Å; L684-L716 HydrophobicContact CD1-CD1 3.95Å; L684-L716 HydrophobicContact CD2-CB 4.28Å; L684-L716 HydrophobicContact CD2-CD1 3.99Å; F686-L716 HydrophobicContact CE1-CD1 4.19Å; F686-L716 HydrophobicContact CZ-CB 4.49Å; F686-L716 HydrophobicContact CZ-CD1 4.17Å; F712-L716 HydrophobicContact CB-CD1 3.99Å; F712-L716 HydrophobicContact CD1-CD1 3.57Å; F712-L716 HydrophobicContact CE1-CD1 4.17Å; F712-L716 HydrophobicContact CG-CD1 3.81Å; E714-L716 PolarHBondContact O-N 3.39Å
717	Y	98.1	Very high	95.1	Very high	57 Å²	57	46.3 Å²	46.3	22%	0.224	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125.7	178.5	-65	-98.7	0	0	0	109.9	L602 A603 P606 L629 S630 A632 A719	L602-Y717 HydrophobicContact CD1-CD2 4.47Å; L602-Y717 HydrophobicContact CD1-CG 4.09Å; A603-Y717 WeakPolarHBondContact O-CD1 3.26Å; P606-Y717 HydrophobicContact CB-CD1 4.05Å; P606-Y717 HydrophobicContact CB-CD2 4.11Å; P606-Y717 HydrophobicContact CB-CE1 3.78Å; P606-Y717 HydrophobicContact CB-CE2 3.81Å; P606-Y717 HydrophobicContact CB-CG 4.22Å; P606-Y717 HydrophobicContact CG-CE1 4.03Å; P606-Y717 HydrophobicContact CG-CE2 4.46Å; L629-Y717 WeakPolarHBondContact CA-O 3.35Å; S630-Y717 PolarHBondContact N-O 2.85Å; S630-Y717 PolarHBondContact O-N 3.49Å; A632-Y717 HydrophobicContact CB-CE2 4.09Å; Y717-A719 PolarHBondContact O-N 2.99Å
718	P	98.2	Very high	95.1	Very high	4 Å²	4	45.5 Å²	45.5	3%	0.026	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.1	131.1	164.8	-29.5	36.4	0	0	0	110.5	P559 L602 A603 L607 W614 G628 L629	P559-P718 HydrophobicContact CB-CB 4Å; P559-P718 HydrophobicContact CB-CG 3.94Å; P559-P718 HydrophobicContact CG-CB 4.06Å; P559-P718 HydrophobicContact CG-CG 3.73Å; L602-P718 CarbonylContact C-O 3.59Å; L602-P718 WeakPolarHBondContact CA-O 3.33Å; A603-P718 HydrophobicContact CB-CB 4.06Å; A603-P718 HydrophobicContact CB-CG 4.23Å; A603-P718 PolarHBondContact N-O 3.09Å; L607-P718 HydrophobicContact CD1-CG 3.94Å; L607-P718 HydrophobicContact CG-CG 4.16Å; W614-P718 HydrophobicContact CH2-CG 4.49Å; W614-P718 HydrophobicContact CZ2-CB 4.09Å; W614-P718 HydrophobicContact CZ2-CG 4.2Å; G628-P718 WeakPolarHBondContact O-CA 3.41Å; L629-P718 HydrophobicContact CD2-CG 4.11Å
719	A	98.1	Very high	95.1	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.008	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	125.4	-166.5	0	0	0	0	0	110.4	L602 G628 L645 Y717	L602-A719 HydrophobicContact CD2-CB 3.47Å; L602-A719 VanDerWaalsContact CD2-CB 3.47Å; G628-A719 PolarHBondContact N-O 2.81Å; G628-A719 PolarHBondContact O-N 3.01Å; L645-A719 HydrophobicContact CD1-CB 3.55Å; L645-A719 HydrophobicContact CD2-CB 3.92Å; L645-A719 HydrophobicContact CG-CB 4.41Å; Y717-A719 PolarHBondContact O-N 2.99Å
720	L	98.2	Very high	95	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.026	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	148.8	180	-57.7	-173.5	0	0	0	111.1	L561 V579 Q600 V601 V616 K626 V627 L727 V729	L561-L720 HydrophobicContact CD1-CD1 3.93Å; L561-L720 HydrophobicContact CD2-CD1 3.87Å; L561-L720 HydrophobicContact CD2-CG 4.18Å; V579-L720 HydrophobicContact CG1-CB 4.27Å; V579-L720 HydrophobicContact CG1-CD1 3.74Å; Q600-L720 WeakPolarHBondContact CA-O 3.32Å; V601-L720 HydrophobicContact CG1-CB 4.02Å; V601-L720 PolarHBondContact N-O 3.38Å; V601-L720 PolarHBondContact O-N 3.48Å; V616-L720 HydrophobicContact CG1-CD2 4.45Å; V616-L720 HydrophobicContact CG2-CD2 4.31Å; K626-L720 WeakPolarHBondContact O-CA 3.49Å; V627-L720 HydrophobicContact CB-CD2 4.35Å; V627-L720 HydrophobicContact CG1-CD2 4.2Å; V627-L720 HydrophobicContact CG2-CD2 4.13Å; L720-L727 HydrophobicContact CB-CD1 4.27Å; L720-L727 HydrophobicContact CD1-CB 4.33Å; L720-L727 HydrophobicContact CD1-CD1 4.28Å; L720-L727 HydrophobicContact CD2-CD1 4.02Å; L720-L727 HydrophobicContact CG-CD1 4.43Å; L720-V729 HydrophobicContact CD1-CG2 4.17Å
721	S	97.2	Very high	94.9	Very high	16 Å²	16	37 Å²	37	11%	0.112	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	140.2	168.2	-172.8	0	0	0	0	109.7	P599 W625 K626	P599-S721 VanDerWaalsContact O-CA 3.3Å; P599-S721 WeakPolarHBondContact O-CA 3.49Å; P599-S721 WeakPolarHBondContact O-CB 3.31Å; P599-S721 PolarHBondContact O-OG 3.18Å; W625-S721 CarbonylContact C-O 3.6Å; W625-S721 WeakPolarHBondContact CA-O 3.35Å; K626-S721 PolarHBondContact N-O 3.48Å; K626-S721 PolarHBondContact O-N 3.25Å
722	V	96.6	Very high	94.6	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	143.8	176.3	-66.1	0	0	0	0	111.7	L570 V579 P599 R624 W625 T725 L727	L570-V722 HydrophobicContact CD2-CG2 3.34Å; V579-V722 HydrophobicContact CG1-CG1 4.39Å; V579-V722 HydrophobicContact CG2-CG2 3.93Å; P599-V722 VanDerWaalsContact CB-O 3.31Å; P599-V722 WeakPolarHBondContact CB-O 3.44Å; P599-V722 WeakPolarHBondContact CG-O 3.35Å; P599-V722 PolarHBondContact O-N 2.58Å; R624-V722 CarbonylContact O-C 3.58Å; R624-V722 WeakPolarHBondContact O-CA 3.2Å; W625-V722 HydrophobicContact CB-CG1 4.29Å; V722-T725 HydrophobicContact CB-CG2 3.8Å; V722-T725 HydrophobicContact CG1-CG2 3.93Å; V722-L727 HydrophobicContact CG1-CB 4.18Å; V722-L727 HydrophobicContact CG1-CD1 3.76Å; V722-L727 HydrophobicContact CG1-CG 3.54Å
723	S	94.6	Very high	94.1	Very high	26 Å²	26	37.5 Å²	37.5	18%	0.182	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	121.4	172.1	-175.2	0	0	0	0	109.5	R624 T725	R624-S723 PolarHBondContact N-O 2.85Å; R624-S723 PolarHBondContact O-N 2.92Å; S723-T725 PolarHBondContact O-N 3.05Å
724	K	92.6	Very high	93.1	Very high	150 Å²	150	38.5 Å²	38.5	65%	0.652	19%	0.188	S	C	*	.	S	Bend	trans	55.5	25.8	-173.2	-55.2	-168.2	173.4	-165.3	0	114.9	Y581	Y581-K724 HydrophobicContact CD1-CG 4.38Å; Y581-K724 VanDerWaalsContact CD1-N 3.27Å; Y581-K724 HydrophobicContact CE1-CG 4.24Å; Y581-K724 VanDerWaalsContact CG-N 3.3Å
725	T	95	Very high	90.9	Very high	7 Å²	7	43.5 Å²	43.5	4%	0.043	23%	0.232	C	C	.	.	S	Bend	trans	-150.9	-177.8	-177.6	-164.6	0	0	0	0	110.1	Y581 S619 D621 R624 W625 V722 S723	Y581-T725 PolarHBondContact N-O 2.67Å; S619-T725 WeakPolarHBondContact CB-OG1 3.16Å; D621-T725 VanDerWaalsContact CG-OG1 3.23Å; D621-T725 WeakPolarHBondContact OD1-CB 3.16Å; D621-T725 PolarHBondContact OD1-OG1 2.99Å; D621-T725 PolarHBondContact OD2-OG1 3.37Å; R624-T725 VanDerWaalsContact O-CG2 3.3Å; R624-T725 WeakPolarHBondContact O-CG2 3.38Å; W625-T725 HydrophobicContact CB-CG2 4.03Å; V722-T725 HydrophobicContact CB-CG2 3.8Å; V722-T725 HydrophobicContact CG1-CG2 3.93Å; S723-T725 PolarHBondContact O-N 3.05Å
726	H	95.4	Very high	90.7	Very high	74 Å²	74	43.2 Å²	43.2	34%	0.343	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	158.8	175.2	68.2	-70.6	0	0	0	111.5	V579 A580	V579-H726 CarbonylContact O-C 3.58Å; V579-H726 VanDerWaalsContact O-CA 3.22Å; V579-H726 WeakPolarHBondContact O-CA 3.24Å; V579-H726 WeakPolarHBondContact O-CB 3.35Å; A580-H726 HydrophobicContact CB-CB 3.94Å
727	L	97.1	Very high	90.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	147.8	172.7	-67.1	177.9	0	0	0	109.5	K578 V579 V616 V618 W625 V627 L720 V722	K578-L727 WeakPolarHBondContact CA-O 3.43Å; V579-L727 HydrophobicContact CG1-CB 4Å; V579-L727 PolarHBondContact N-O 3.46Å; V579-L727 PolarHBondContact O-N 3.01Å; V616-L727 HydrophobicContact CG1-CB 3.97Å; V616-L727 HydrophobicContact CG1-CD1 4.27Å; V616-L727 HydrophobicContact CG1-CD2 4.13Å; V616-L727 HydrophobicContact CG1-CG 4.36Å; V618-L727 HydrophobicContact CB-CD2 4.05Å; V618-L727 HydrophobicContact CG1-CD2 3.69Å; W625-L727 HydrophobicContact CB-CD1 4.11Å; W625-L727 HydrophobicContact CB-CD2 4.09Å; W625-L727 HydrophobicContact CB-CG 4.22Å; W625-L727 HydrophobicContact CD2-CD2 4.41Å; W625-L727 HydrophobicContact CG-CD2 4.07Å; V627-L727 HydrophobicContact CG2-CD1 3.88Å; L720-L727 HydrophobicContact CB-CD1 4.27Å; L720-L727 HydrophobicContact CD1-CB 4.33Å; L720-L727 HydrophobicContact CD1-CD1 4.28Å; L720-L727 HydrophobicContact CD2-CD1 4.02Å; L720-L727 HydrophobicContact CG-CD1 4.43Å; V722-L727 HydrophobicContact CG1-CB 4.18Å; V722-L727 HydrophobicContact CG1-CD1 3.76Å; V722-L727 HydrophobicContact CG1-CG 3.54Å
728	T	96.5	Very high	89.9	Confident	24 Å²	24	44.7 Å²	44.7	15%	0.147	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	122	171	-61	0	0	0	0	109.9	K578 V616 S617 C730	K578-T728 HydrophobicContact CB-CG2 4.35Å; K578-T728 WeakPolarHBondContact CD-OG1 3.36Å; K578-T728 WeakPolarHBondContact CG-OG1 3.44Å; V616-T728 WeakPolarHBondContact CA-O 3.47Å; S617-T728 PolarHBondContact N-O 2.89Å; S617-T728 PolarHBondContact O-N 3.22Å; T728-C730 PolarHBondContact O-N 3Å
729	V	96.4	Very high	89.4	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.018	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	118.7	165.3	179.8	0	0	0	0	107.8	V558 R577 L720	V558-V729 HydrophobicContact CG1-CG1 4.13Å; R577-V729 HydrophobicContact CB-CB 4.29Å; R577-V729 PolarHBondContact O-N 3.29Å; L720-V729 HydrophobicContact CD1-CG2 4.17Å
730	C	92.8	Very high	88.8	Confident	10 Å²	10	49.9 Å²	49.9	7%	0.068	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-68	147.8	-175.3	-62.7	0	0	0	0	111.3	E615 S617 T728	E615-C730 HydrophobicContact CB-CB 3.82Å; E615-C730 PolarHBondContact O-N 3.46Å; S617-C730 PolarHBondContact N-SG 3.43Å; S617-C730 VanDerWaalsContact N-SG 3.42Å; T728-C730 PolarHBondContact O-N 3Å
731	D	88.8	Confident	88.2	Confident	42 Å²	42	52.9 Å²	52.9	23%	0.225	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-66.4	132.5	153.9	-152.6	-63.7	0	0	0	108.2	R577 F733 H734	R577-D731 IonicContact CZ-OD2 3.39Å; R577-D731 IonicContact NH1-OD2 3.81Å; R577-D731 PolarHBondContact NH1-OD2 3.36Å; R577-D731 IonicContact NH2-OD2 2.65Å; D731-F733 PolarHBondContact OD1-N 3.07Å; D731-H734 HydrophobicContact CB-CB 4.19Å; D731-H734 IonicContact OD1-CG 3.76Å; D731-H734 PolarHBondContact OD1-N 3.22Å; D731-H734 IonicContact OD1-ND1 2.96Å; D731-H734 PolarHBondContact OD1-ND1 3.16Å; D731-H734 IonicContact OD2-CG 2.65Å; D731-H734 IonicContact OD2-ND1 2.76Å; D731-H734 PolarHBondContact OD2-ND1 3.16Å; D731-H734 VanDerWaalsContact OD2-ND1 3.17Å
732	L	86.7	Confident	87.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-90.1	-14.2	178.9	-64.4	-172.5	0	0	0	112.7	R552 T557 V558 Y613 E615	R552-L732 HydrophobicContact CG-CD2 4.4Å; R552-L732 VanDerWaalsContact CZ-O 3.27Å; R552-L732 PolarHBondContact NE-O 2.93Å; R552-L732 PolarHBondContact NH2-O 2.9Å; T557-L732 VanDerWaalsContact O-CD1 3.31Å; T557-L732 WeakPolarHBondContact O-CD1 3.26Å; V558-L732 HydrophobicContact CG2-CB 4.41Å; V558-L732 HydrophobicContact CG2-CG 4.11Å; Y613-L732 HydrophobicContact CD1-CD1 4.37Å; Y613-L732 HydrophobicContact CE1-CD2 4.5Å; E615-L732 HydrophobicContact CB-CD2 3.78Å; E615-L732 HydrophobicContact CG-CD2 3.82Å
733	F	80.6	Confident	86.9	Confident	118 Å²	118	59.8 Å²	59.8	52%	0.518	32%	0.318	S	S	.	.	S	Bend	trans	-122.8	-18.9	-169.9	-54.7	-65.1	0	0	0	113.3	R552 L553 D731	R552-F733 WeakPolarHBondContact O-CE1 3.46Å; R552-F733 VanDerWaalsContact O-CZ 3.32Å; R552-F733 WeakPolarHBondContact O-CZ 3.3Å; L553-F733 HydrophobicContact CD2-CE1 4.45Å; D731-F733 PolarHBondContact OD1-N 3.07Å
734	H	65.8	Low	86.2	Confident	137 Å²	137	62.6 Å²	62.6	63%	0.634	33%	0.329	S	S	*	.			trans	-100.3	135.5	166.5	-54	85.5	0	0	0	110.3	D731	D731-H734 HydrophobicContact CB-CB 4.19Å; D731-H734 IonicContact OD1-CG 3.76Å; D731-H734 PolarHBondContact OD1-N 3.22Å; D731-H734 IonicContact OD1-ND1 2.96Å; D731-H734 PolarHBondContact OD1-ND1 3.16Å; D731-H734 IonicContact OD2-CG 2.65Å; D731-H734 IonicContact OD2-ND1 2.76Å; D731-H734 PolarHBondContact OD2-ND1 3.16Å; D731-H734 VanDerWaalsContact OD2-ND1 3.17Å
735	S	47.1	Very low	85.7	Confident	186 Å²	186	54.6 Å²	54.6	100%	1.301	30%	0.3	S	S	*	.			trans	-91.9	0	-179.8	59.5	0	0	0	0	112.5

Retrieved 735 of 735 residues in 1087.9 ms (Link to these results)

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