A0A087XEP1_POEFO Loading...

Pleckstrin homology domain containing, family O member 2

AlphaFold DB , UniProt , Accession A0A087XEP1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 626 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.9	Very low	39.3	Very low	208 Å²	208	143.2 Å²	143.2	100%	1.025	77%	0.773	S	S	*	*				0	83.6	0	-52.1	82.5	-168.9	0	0	108.1
2	E	41.3	Very low	39.5	Very low	161 Å²	161	146.4 Å²	146.4	75%	0.752	78%	0.779	S	S	*	*				72.1	135.5	57.9	-56.8	146.4	123.4	0	0	110.2
3	D	40.1	Very low	39.6	Very low	163 Å²	163	147.7 Å²	147.7	87%	0.872	79%	0.787	S	S	*	*			cis	-124	174.3	8.6	-104.5	-46.6	0	0	0	111.1
4	G	38	Very low	39.9	Very low	48 Å²	48	146.1 Å²	146.1	50%	0.495	77%	0.77	S	S	.	*			cis	141.3	43.1	4.8	0	0	0	0	0	113	K6	G4-K6 PolarHBondContact O-N 2.98Å; G4-K6 VanDerWaalsContact O-N 3.09Å
5	T	38.3	Very low	40.5	Very low	145 Å²	145	142.3 Å²	142.3	89%	0.89	76%	0.757	S	S	*	*			trans	-68.4	105.1	-171.9	-46	0	0	0	0	112.4
6	K	43.8	Very low	41.6	Very low	198 Å²	198	146.4 Å²	146.4	86%	0.861	77%	0.766	S	S	*	*			trans	-91.1	106.4	170.6	-67.6	174.6	-176.8	169.6	0	110	G4 D8	G4-K6 PolarHBondContact O-N 2.98Å; G4-K6 VanDerWaalsContact O-N 3.09Å; K6-D8 PolarHBondContact O-N 2.91Å
7	E	37.4	Very low	42.7	Very low	176 Å²	176	143.1 Å²	143.1	82%	0.822	74%	0.744	S	S	*	*			trans	-89.3	87.4	169	-170.7	172.2	-168.4	0	0	109.9	T9	E7-T9 PolarHBondContact O-N 3.35Å
8	D	39.2	Very low	44	Very low	153 Å²	153	139.2 Å²	139.2	82%	0.818	72%	0.724	S	S	*	*			trans	-85.4	90.1	176.6	-172	3.9	0	0	0	110.9	K6	K6-D8 PolarHBondContact O-N 2.91Å
9	T	37.6	Very low	45.8	Very low	98 Å²	98	136.7 Å²	136.7	60%	0.601	72%	0.72	S	S	*	*			trans	-106.4	82.9	174.8	-60.3	0	0	0	0	111.7	E7 Q11	E7-T9 PolarHBondContact O-N 3.35Å; T9-Q11 PolarHBondContact O-N 3.42Å; T9-Q11 VanDerWaalsContact O-N 3.14Å
10	A	40.8	Very low	48	Very low	88 Å²	88	132.8 Å²	132.8	73%	0.727	70%	0.696	S	S	*	*			trans	32.8	69.6	142.6	0	0	0	0	0	117.4
11	Q	41.2	Very low	50.2	Low	137 Å²	137	128.3 Å²	128.3	64%	0.64	68%	0.679	S	S	*	*			trans	-123.9	51.5	163.6	-64.6	-155.9	45.5	0	0	112.9	T9 K14	T9-Q11 PolarHBondContact O-N 3.42Å; T9-Q11 VanDerWaalsContact O-N 3.14Å; Q11-K14 VanDerWaalsContact CD-NZ 3.29Å
12	Q	41	Very low	53	Low	182 Å²	182	119.2 Å²	119.2	85%	0.85	64%	0.638	S	S	*	*			trans	-89.8	148.2	159.9	-55.3	-162.2	15.6	0	0	108.9
13	N	40.8	Very low	55.5	Low	163 Å²	163	116.9 Å²	116.9	87%	0.872	62%	0.623	S	S	*	*	S	Bend	trans	61.8	45.9	-174	-58.6	-18.6	0	0	0	116.4
14	K	44.8	Very low	58	Low	126 Å²	126	109.4 Å²	109.4	55%	0.548	58%	0.583	S	S	.	*	S	Bend	trans	-107.2	142.5	146.1	-66.6	-176.9	-170.4	171.4	0	109.1	Q11	Q11-K14 VanDerWaalsContact CD-NZ 3.29Å
15	P	49	Very low	60.6	Low	89 Å²	89	110.3 Å²	110.3	58%	0.578	57%	0.573	S	S	*	*			trans	-59.7	143.3	172.7	-19.5	31.2	0	0	0	110.7	F17	P15-F17 HydrophobicContact CB-CD1 4.01Å; P15-F17 HydrophobicContact CB-CE1 3.57Å; P15-F17 HydrophobicContact CB-CE2 4.4Å; P15-F17 HydrophobicContact CB-CZ 3.79Å; P15-F17 HydrophobicContact CG-CE1 3.9Å; P15-F17 HydrophobicContact CG-CE2 4.42Å; P15-F17 HydrophobicContact CG-CZ 3.7Å; P15-F17 WeakPolarHBondContact O-CD2 3.35Å; P15-F17 PolarHBondContact O-N 3.17Å
16	K	56.8	Low	63.2	Low	207 Å²	207	103.9 Å²	103.9	90%	0.9	53%	0.533	S	S	*	.			trans	-78.1	67.5	-179.8	-65.1	-179	-178.8	177.6	0	110.8
17	F	61.6	Low	65.4	Low	90 Å²	90	95.2 Å²	95.2	40%	0.395	50%	0.498	S	S	.	.			trans	-57.2	137.7	175.9	-55.3	-51.1	0	0	0	110.8	P15 S19 R121	P15-F17 HydrophobicContact CB-CD1 4.01Å; P15-F17 HydrophobicContact CB-CE1 3.57Å; P15-F17 HydrophobicContact CB-CE2 4.4Å; P15-F17 HydrophobicContact CB-CZ 3.79Å; P15-F17 HydrophobicContact CG-CE1 3.9Å; P15-F17 HydrophobicContact CG-CE2 4.42Å; P15-F17 HydrophobicContact CG-CZ 3.7Å; P15-F17 WeakPolarHBondContact O-CD2 3.35Å; P15-F17 PolarHBondContact O-N 3.17Å; F17-S19 PolarHBondContact O-N 3.04Å; F17-R121 HydrophobicContact CE1-CG 4.48Å
18	L	66.1	Low	67.5	Low	73 Å²	73	92.7 Å²	92.7	38%	0.382	49%	0.486	S	S	.	.			trans	-78.5	77.3	171.3	-70.3	97.7	0	0	0	110.1	K20 K113 D117	L18-K20 PolarHBondContact O-N 3.31Å; L18-K113 HydrophobicContact CD2-CD 4.47Å; L18-D117 PolarHBondContact N-OD2 2.73Å
19	S	77.9	Confident	68.8	Low	93 Å²	93	88 Å²	88	65%	0.65	47%	0.473	S	S	*	.			trans	-60.3	130.7	158.5	49.5	0	0	0	0	108.6	F17	F17-S19 PolarHBondContact O-N 3.04Å
20	K	90.2	Very high	70.1	Confident	57 Å²	57	92 Å²	92	25%	0.248	48%	0.478	C	S	.	.			trans	-136.3	135.5	178.3	-173.4	168.9	175.2	59.1	0	108.8	L18 V42 A110 W111 A114	L18-K20 PolarHBondContact O-N 3.31Å; K20-V42 HydrophobicContact CB-CG2 4.38Å; K20-V42 WeakPolarHBondContact O-CB 3.43Å; K20-V42 WeakPolarHBondContact O-CG2 3.45Å; K20-V42 PolarHBondContact O-N 2.91Å; K20-A110 HydrophobicContact CD-CB 4.41Å; K20-W111 HydrophobicContact CB-CZ3 4.4Å; K20-W111 HydrophobicContact CD-CD2 3.82Å; K20-W111 HydrophobicContact CD-CE3 4.01Å; K20-W111 HydrophobicContact CD-CG 4.18Å; K20-W111 HydrophobicContact CD-CZ2 4.44Å; K20-W111 HydrophobicContact CD-CZ3 4.4Å; K20-W111 VanDerWaalsContact CE-CD1 3.5Å; K20-W111 VanDerWaalsContact CE-CE2 3.45Å; K20-W111 HydrophobicContact CG-CD2 4.35Å; K20-W111 HydrophobicContact CG-CE3 4.28Å; K20-W111 HydrophobicContact CG-CH2 4.08Å; K20-W111 HydrophobicContact CG-CZ2 4.16Å; K20-W111 HydrophobicContact CG-CZ3 4.15Å; K20-A114 HydrophobicContact CB-CB 3.83Å; K20-A114 HydrophobicContact CD-CB 3.99Å
21	A	92.9	Very high	70.7	Confident	39 Å²	39	95.8 Å²	95.8	32%	0.322	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	166.5	170.8	0	0	0	0	0	110	Y39 L40	A21-Y39 HydrophobicContact CB-CE1 4.05Å; A21-L40 CarbonylContact C-O 3.59Å; A21-L40 WeakPolarHBondContact CA-O 3.43Å
22	G	93.4	Very high	71.4	Confident	17 Å²	17	96.3 Å²	96.3	18%	0.175	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	141.6	171.5	172.8	0	0	0	0	0	114.1	L40	G22-L40 PolarHBondContact N-O 3Å; G22-L40 PolarHBondContact O-N 3.14Å
23	W	94.4	Very high	72.6	Confident	113 Å²	113	91.2 Å²	91.2	43%	0.428	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	129.1	179.5	-67.2	94.1	0	0	0	112.4	D37 Y39 E53	W23-D37 HydrophobicContact CE3-CB 4.36Å; W23-Y39 AromaticContact CD1-CD2 3.82Å; W23-Y39 HydrophobicContact CD2-CD2 4Å; W23-Y39 AromaticContact CE2-CD2 3.77Å; W23-Y39 HydrophobicContact CG-CD2 4.06Å; W23-Y39 HydrophobicContact CZ2-CD2 4.35Å; W23-Y39 AromaticContact NE1-CD2 3.6Å; W23-Y39 AromaticContact NE1-CE2 3.98Å; W23-E53 HydrophobicContact CZ2-CB 3.9Å; W23-E53 PolarHBondContact NE1-OE2 2.87Å
24	V	93.6	Very high	74.6	Confident	5 Å²	5	86.7 Å²	86.7	3%	0.03	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	154.2	166.6	-63.7	0	0	0	0	111.4	K26 R38 L40 F100 T102 W111	V24-K26 PolarHBondContact O-N 3.23Å; V24-R38 PolarHBondContact N-O 3.38Å; V24-R38 PolarHBondContact O-N 3.23Å; V24-R38 VanDerWaalsContact O-O 3.07Å; V24-L40 HydrophobicContact CG2-CB 4.34Å; V24-L40 HydrophobicContact CG2-CD1 3.72Å; V24-L40 HydrophobicContact CG2-CD2 3.86Å; V24-L40 HydrophobicContact CG2-CG 4.17Å; V24-F100 HydrophobicContact CG2-CD1 3.89Å; V24-T102 HydrophobicContact CG1-CG2 3.98Å; V24-W111 HydrophobicContact CG1-CD2 4.32Å; V24-W111 HydrophobicContact CG1-CG 4.47Å; V24-W111 HydrophobicContact CG1-CZ2 4.01Å; V24-W111 VanDerWaalsContact CG1-NE1 3.26Å
25	K	92.6	Very high	76.7	Confident	68 Å²	68	83.2 Å²	83.2	30%	0.296	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	106.8	175.5	-74.4	172.8	179.2	168	0	108.9	Y35 K36 D37 F100 Q101	K25-Y35 HydrophobicContact CB-CD1 3.97Å; K25-Y35 WeakPolarHBondContact O-CD1 3.42Å; K25-K36 WeakPolarHBondContact CA-O 3.26Å; K25-D37 WeakPolarHBondContact CE-OD1 3.27Å; K25-D37 WeakPolarHBondContact CE-OD2 3.36Å; K25-D37 WeakPolarHBondContact CG-OD1 3.34Å; K25-D37 IonicContact NZ-OD1 3.08Å; K25-D37 IonicContact NZ-OD2 3.99Å; K25-F100 CarbonylContact O-C 3.45Å; K25-F100 WeakPolarHBondContact O-CA 3.33Å; K25-Q101 HydrophobicContact CB-CB 4.08Å; K25-Q101 PolarHBondContact N-O 3.03Å; K25-Q101 PolarHBondContact O-N 3.47Å
26	K	92.4	Very high	78.8	Confident	10 Å²	10	84.1 Å²	84.1	4%	0.043	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	132.8	175.1	-172.9	176.7	-174.9	179.3	0	110	V24 Y35 K36 R38 V49 E60 V98 F100	V24-K26 PolarHBondContact O-N 3.23Å; K26-Y35 WeakPolarHBondContact O-CA 3.41Å; K26-K36 PolarHBondContact N-O 2.76Å; K26-K36 PolarHBondContact O-N 3.31Å; K26-R38 HydrophobicContact CB-CB 4.34Å; K26-R38 HydrophobicContact CB-CG 4.07Å; K26-V49 HydrophobicContact CD-CG1 4Å; K26-V49 HydrophobicContact CD-CG2 4.34Å; K26-E60 IonicContact NZ-OE1 2.67Å; K26-E60 PolarHBondContact NZ-OE1 3.4Å; K26-E60 IonicContact NZ-OE2 3.94Å; K26-E60 PolarHBondContact NZ-OE2 3.46Å; K26-V98 HydrophobicContact CD-CG1 4.48Å; K26-V98 VanDerWaalsContact CE-CG1 3.45Å; K26-V98 HydrophobicContact CG-CG1 4.39Å; K26-F100 HydrophobicContact CB-CD1 4.04Å; K26-F100 HydrophobicContact CB-CE1 4.15Å; K26-F100 HydrophobicContact CD-CE1 3.97Å; K26-F100 HydrophobicContact CG-CD1 4.01Å; K26-F100 HydrophobicContact CG-CE1 3.76Å
27	A	89.7	Confident	80.5	Confident	16 Å²	16	77.7 Å²	77.7	13%	0.132	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	127.6	169.2	0	0	0	0	0	109.8	S34 Y35 K99	A27-S34 CarbonylContact C-O 3.55Å; A27-S34 VanDerWaalsContact CA-O 3.27Å; A27-S34 WeakPolarHBondContact CA-O 3.34Å; A27-Y35 HydrophobicContact CB-CD1 4.2Å; A27-Y35 HydrophobicContact CB-CE1 3.8Å; A27-Y35 HydrophobicContact CB-CE2 4.28Å; A27-K99 HydrophobicContact CB-CB 3.86Å; A27-K99 VanDerWaalsContact CB-O 3.23Å; A27-K99 WeakPolarHBondContact CB-O 3.23Å; A27-K99 PolarHBondContact N-O 2.93Å
28	H	80.4	Confident	82	Confident	122 Å²	122	75 Å²	75	57%	0.565	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	139.3	179.6	-160.2	75.3	0	0	0	110.8	S34	H28-S34 PolarHBondContact N-O 3.22Å; H28-S34 PolarHBondContact O-OG 2.7Å
29	G	66.7	Low	83.3	Confident	54 Å²	54	72.7 Å²	72.7	56%	0.557	38%	0.381	S	S	*	.	S	Bend	trans	85.4	156.4	-177.2	0	0	0	0	0	115
30	R	65.4	Low	84.1	Confident	184 Å²	184	68.3 Å²	68.3	69%	0.694	35%	0.351	S	S	*	.	S	Bend	trans	-91.2	-23.1	-177.7	-59.2	-179.6	-169.1	-167.4	-3.9	114.3	H96	R30-H96 VanDerWaalsContact CZ-CD2 3.44Å; R30-H96 PolarHBondContact NH2-CD2 3.37Å; R30-H96 VanDerWaalsContact NH2-CD2 3.29Å
31	L	53.9	Low	84.2	Confident	166 Å²	166	68.3 Å²	68.3	87%	0.869	35%	0.352	S	S	*	.	S	Bend	trans	-111.6	-42.4	-175.6	-65.4	95.1	0	0	0	113
32	L	55	Low	84.2	Confident	148 Å²	148	66.6 Å²	66.6	78%	0.775	34%	0.337	S	S	*	.	S	Bend	trans	-106.8	104.2	178.1	-63.8	175.3	0	0	0	109.1	S34	L32-S34 PolarHBondContact O-N 2.93Å
33	T	67.6	Low	83.7	Confident	76 Å²	76	69.1 Å²	69.1	47%	0.466	34%	0.344	S	S	.	.			trans	-77.7	65.8	179.7	63	0	0	0	0	111.9	Y35	T33-Y35 WeakPolarHBondContact O-CD2 3.25Å
34	S	82.1	Confident	83.2	Confident	68 Å²	68	70.2 Å²	70.2	48%	0.476	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	146.9	160.7	67.4	0	0	0	0	109.3	A27 H28 L32	A27-S34 CarbonylContact C-O 3.55Å; A27-S34 VanDerWaalsContact CA-O 3.27Å; A27-S34 WeakPolarHBondContact CA-O 3.34Å; H28-S34 PolarHBondContact N-O 3.22Å; H28-S34 PolarHBondContact O-OG 2.7Å; L32-S34 PolarHBondContact O-N 2.93Å
35	Y	89.5	Confident	82.8	Confident	53 Å²	53	71.8 Å²	71.8	21%	0.208	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	116.2	179.1	-87.3	-87.2	0	0	0	108.4	K25 K26 A27 T33 R82 Q101	K25-Y35 HydrophobicContact CB-CD1 3.97Å; K25-Y35 WeakPolarHBondContact O-CD1 3.42Å; K26-Y35 WeakPolarHBondContact O-CA 3.41Å; A27-Y35 HydrophobicContact CB-CD1 4.2Å; A27-Y35 HydrophobicContact CB-CE1 3.8Å; A27-Y35 HydrophobicContact CB-CE2 4.28Å; T33-Y35 WeakPolarHBondContact O-CD2 3.25Å; Y35-R82 PolarHBondContact OH-NE 2.84Å; Y35-R82 PolarHBondContact OH-NH2 2.81Å; Y35-Q101 HydrophobicContact CD1-CB 4.12Å; Y35-Q101 HydrophobicContact CE1-CB 3.82Å
36	K	91.6	Very high	82.8	Confident	108 Å²	108	71.5 Å²	71.5	47%	0.47	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	139.4	175.1	-167.3	178.2	179.5	-172.9	0	109.3	K25 K26 R38 E51	K25-K36 WeakPolarHBondContact CA-O 3.26Å; K26-K36 PolarHBondContact N-O 2.76Å; K26-K36 PolarHBondContact O-N 3.31Å; K36-R38 VanDerWaalsContact CE-NH1 3.34Å; K36-E51 IonicContact NZ-OE1 2.71Å; K36-E51 PolarHBondContact NZ-OE1 3.49Å
37	D	92.8	Very high	82.8	Confident	72 Å²	72	71 Å²	71	39%	0.385	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	133.2	170.4	-70.1	-75.7	0	0	0	110.9	W23 K25	W23-D37 HydrophobicContact CE3-CB 4.36Å; K25-D37 WeakPolarHBondContact CE-OD1 3.27Å; K25-D37 WeakPolarHBondContact CE-OD2 3.36Å; K25-D37 WeakPolarHBondContact CG-OD1 3.34Å; K25-D37 IonicContact NZ-OD1 3.08Å; K25-D37 IonicContact NZ-OD2 3.99Å
38	R	93.6	Very high	83	Confident	32 Å²	32	70.3 Å²	70.3	12%	0.121	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	141.8	-178.6	-69.8	-66.1	176.9	-137.6	27.6	109.6	V24 K26 K36 L40 V49 Y50 E51	V24-R38 PolarHBondContact N-O 3.38Å; V24-R38 PolarHBondContact O-N 3.23Å; V24-R38 VanDerWaalsContact O-O 3.07Å; K26-R38 HydrophobicContact CB-CB 4.34Å; K26-R38 HydrophobicContact CB-CG 4.07Å; K36-R38 VanDerWaalsContact CE-NH1 3.34Å; R38-L40 HydrophobicContact CB-CD1 4.25Å; R38-V49 HydrophobicContact CB-CG1 3.78Å; R38-V49 HydrophobicContact CG-CG1 3.93Å; R38-Y50 VanDerWaalsContact CD-O 3.27Å; R38-Y50 WeakPolarHBondContact CD-O 3.36Å; R38-E51 IonicContact CZ-OE1 2.71Å; R38-E51 IonicContact NH1-OE1 2.71Å; R38-E51 PolarHBondContact NH1-OE1 3.19Å; R38-E51 IonicContact NH2-OE1 3.12Å; R38-E51 PolarHBondContact NH2-OE1 2.87Å; R38-E51 IonicContact NH2-OE2 2.86Å
39	Y	93.5	Very high	83.6	Confident	25 Å²	25	64.6 Å²	64.6	10%	0.098	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	125.8	170.7	-164.1	-101.3	0	0	0	109.2	A21 W23 Y50 N52 E53 L55	A21-Y39 HydrophobicContact CB-CE1 4.05Å; W23-Y39 AromaticContact CD1-CD2 3.82Å; W23-Y39 HydrophobicContact CD2-CD2 4Å; W23-Y39 AromaticContact CE2-CD2 3.77Å; W23-Y39 HydrophobicContact CG-CD2 4.06Å; W23-Y39 HydrophobicContact CZ2-CD2 4.35Å; W23-Y39 AromaticContact NE1-CD2 3.6Å; W23-Y39 AromaticContact NE1-CE2 3.98Å; Y39-Y50 HydrophobicContact CD1-CD2 4.43Å; Y39-Y50 PolarHBondContact N-O 3.11Å; Y39-Y50 PolarHBondContact O-N 2.68Å; Y39-N52 WeakPolarHBondContact CB-O 3.38Å; Y39-E53 HydrophobicContact CD2-CB 3.85Å; Y39-E53 HydrophobicContact CD2-CG 4.01Å; Y39-E53 HydrophobicContact CE1-CG 4.3Å; Y39-E53 HydrophobicContact CE2-CB 3.9Å; Y39-E53 HydrophobicContact CE2-CG 3.51Å; Y39-E53 WeakPolarHBondContact CE2-OE1 3.31Å; Y39-E53 HydrophobicContact CG-CB 4.22Å; Y39-E53 VanDerWaalsContact CZ-OE1 3.27Å; Y39-E53 PolarHBondContact OH-OE1 3.35Å; Y39-L55 HydrophobicContact CD1-CD2 4.22Å; Y39-L55 HydrophobicContact CE1-CD2 4.1Å
40	L	94.4	Very high	84.8	Confident	1 Å²	1	63 Å²	63	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	146.6	174.6	-100.7	66.7	0	0	0	110.6	A21 G22 V24 R38 V47 V48 V49 F100 W111	A21-L40 CarbonylContact C-O 3.59Å; A21-L40 WeakPolarHBondContact CA-O 3.43Å; G22-L40 PolarHBondContact N-O 3Å; G22-L40 PolarHBondContact O-N 3.14Å; V24-L40 HydrophobicContact CG2-CB 4.34Å; V24-L40 HydrophobicContact CG2-CD1 3.72Å; V24-L40 HydrophobicContact CG2-CD2 3.86Å; V24-L40 HydrophobicContact CG2-CG 4.17Å; R38-L40 HydrophobicContact CB-CD1 4.25Å; L40-V47 HydrophobicContact CD2-CG1 3.88Å; L40-V47 HydrophobicContact CG-CG1 4.03Å; L40-V48 WeakPolarHBondContact CA-O 3.3Å; L40-V49 HydrophobicContact CD1-CB 4.24Å; L40-V49 HydrophobicContact CD1-CG1 3.92Å; L40-V49 HydrophobicContact CD1-CG2 3.8Å; L40-V49 HydrophobicContact CG-CG2 4.14Å; L40-F100 HydrophobicContact CD1-CE1 4.09Å; L40-F100 HydrophobicContact CD2-CD1 4.04Å; L40-F100 HydrophobicContact CD2-CE1 3.53Å; L40-F100 HydrophobicContact CD2-CZ 3.86Å; L40-F100 HydrophobicContact CG-CE1 4.4Å; L40-W111 HydrophobicContact CB-CH2 3.49Å; L40-W111 VanDerWaalsContact CB-CH2 3.49Å; L40-W111 HydrophobicContact CB-CZ2 4.24Å; L40-W111 HydrophobicContact CB-CZ3 3.95Å; L40-W111 HydrophobicContact CD2-CH2 4.49Å; L40-W111 HydrophobicContact CD2-CZ3 4.22Å
41	H	93	Very high	86	Confident	58 Å²	58	56.7 Å²	56.7	27%	0.269	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	124.9	172.8	-170.9	95.9	0	0	0	110	V47 V48 Y50	H41-V47 WeakPolarHBondContact O-CA 3.5Å; H41-V48 PolarHBondContact N-O 2.93Å; H41-V48 PolarHBondContact O-N 3.04Å; H41-Y50 HydrophobicContact CB-CE2 3.94Å
42	V	91.9	Very high	87.6	Confident	2 Å²	2	52 Å²	52	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	105	178.1	-175.9	0	0	0	0	109.4	K20 V47 W111 L115 C118	K20-V42 HydrophobicContact CB-CG2 4.38Å; K20-V42 WeakPolarHBondContact O-CB 3.43Å; K20-V42 WeakPolarHBondContact O-CG2 3.45Å; K20-V42 PolarHBondContact O-N 2.91Å; V42-V47 HydrophobicContact CG1-CG2 4.4Å; V42-V47 HydrophobicContact CG2-CG1 4.41Å; V42-V47 HydrophobicContact CG2-CG2 4.19Å; V42-W111 HydrophobicContact CG2-CE3 4.49Å; V42-W111 HydrophobicContact CG2-CZ3 3.76Å; V42-L115 HydrophobicContact CG2-CD2 4.36Å; V42-C118 HydrophobicContact CG1-CB 3.73Å; V42-C118 WeakPolarHBondContact CG1-SG 3.32Å
43	E	84.4	Confident	89.3	Confident	71 Å²	71	50 Å²	50	33%	0.332	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	107	-179.6	-167.9	-165.3	157.2	0	0	111	T45 E46	E43-T45 VanDerWaalsContact C-N 3.26Å; E43-T45 PolarHBondContact O-N 3.15Å; E43-E46 PolarHBondContact N-O 2.96Å; E43-E46 PolarHBondContact O-N 3.48Å
44	K	82.4	Confident	90.1	Very high	136 Å²	136	49.8 Å²	49.8	59%	0.591	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	-72.6	172.8	-57.4	157.3	-172.4	148.3	0	114.9	C118 R121	K44-C118 VanDerWaalsContact C-SG 3.52Å; K44-C118 PolarHBondContact O-SG 3.04Å; K44-R121 PolarHBondContact O-NE 3Å; K44-R121 PolarHBondContact O-NH2 3.33Å
45	T	86.6	Confident	90.3	Very high	37 Å²	37	50.4 Å²	50.4	23%	0.227	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137	-5.6	-176.7	55.2	0	0	0	0	113.2	E43 L64 C118 R121 A122	E43-T45 VanDerWaalsContact C-N 3.26Å; E43-T45 PolarHBondContact O-N 3.15Å; T45-L64 VanDerWaalsContact O-CB 3.27Å; T45-L64 WeakPolarHBondContact O-CB 3.44Å; T45-L64 WeakPolarHBondContact O-CG 3.1Å; T45-L64 PolarHBondContact O-N 2.73Å; T45-C118 VanDerWaalsContact CA-SG 3.57Å; T45-R121 HydrophobicContact CG2-CB 4.41Å; T45-A122 HydrophobicContact CG2-CB 4.18Å
46	E	91.6	Very high	89.9	Confident	63 Å²	63	55.8 Å²	55.8	29%	0.294	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	162.5	176.9	-64.1	-170.5	-171	0	0	111.4	E43 L62	E43-E46 PolarHBondContact N-O 2.96Å; E43-E46 PolarHBondContact O-N 3.48Å; E46-L62 WeakPolarHBondContact CA-O 3.4Å
47	V	93.5	Very high	89.6	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	122.7	166.5	-174	0	0	0	0	109.3	L40 H41 V42 L62 L64 L115	L40-V47 HydrophobicContact CD2-CG1 3.88Å; L40-V47 HydrophobicContact CG-CG1 4.03Å; H41-V47 WeakPolarHBondContact O-CA 3.5Å; V42-V47 HydrophobicContact CG1-CG2 4.4Å; V42-V47 HydrophobicContact CG2-CG1 4.41Å; V42-V47 HydrophobicContact CG2-CG2 4.19Å; V47-L62 HydrophobicContact CB-CB 4.2Å; V47-L62 PolarHBondContact N-O 2.67Å; V47-L62 WeakPolarHBondContact O-CB 3.4Å; V47-L62 PolarHBondContact O-N 2.82Å; V47-L64 HydrophobicContact CG2-CD1 3.82Å; V47-L64 HydrophobicContact CG2-CD2 3.87Å; V47-L64 HydrophobicContact CG2-CG 4.02Å; V47-L115 HydrophobicContact CG2-CD2 3.58Å
48	V	92.1	Very high	89.4	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	136.9	178	-167.6	0	0	0	0	109.6	L40 H41 Y50 C58 R61	L40-V48 WeakPolarHBondContact CA-O 3.3Å; H41-V48 PolarHBondContact N-O 2.93Å; H41-V48 PolarHBondContact O-N 3.04Å; V48-Y50 HydrophobicContact CB-CD2 4.34Å; V48-Y50 HydrophobicContact CB-CE2 3.57Å; V48-Y50 HydrophobicContact CG1-CD1 4.49Å; V48-Y50 HydrophobicContact CG1-CD2 4.03Å; V48-Y50 HydrophobicContact CG1-CE1 3.92Å; V48-Y50 HydrophobicContact CG1-CE2 3.41Å; V48-Y50 VanDerWaalsContact CG1-CE2 3.41Å; V48-Y50 WeakPolarHBondContact CG1-OH 3.28Å; V48-C58 HydrophobicContact CG1-CB 4.5Å; V48-C58 VanDerWaalsContact CG1-SG 3.53Å; V48-R61 HydrophobicContact CG1-CG 4.03Å; V48-R61 HydrophobicContact CG2-CG 4.11Å
49	V	93	Very high	89.2	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.012	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119.4	178.1	-176	0	0	0	0	108.4	K26 R38 L40 L59 E60 L62	K26-V49 HydrophobicContact CD-CG1 4Å; K26-V49 HydrophobicContact CD-CG2 4.34Å; R38-V49 HydrophobicContact CB-CG1 3.78Å; R38-V49 HydrophobicContact CG-CG1 3.93Å; L40-V49 HydrophobicContact CD1-CB 4.24Å; L40-V49 HydrophobicContact CD1-CG1 3.92Å; L40-V49 HydrophobicContact CD1-CG2 3.8Å; L40-V49 HydrophobicContact CG-CG2 4.14Å; V49-L59 WeakPolarHBondContact O-CB 3.44Å; V49-L59 PolarHBondContact O-N 2.91Å; V49-E60 HydrophobicContact CB-CB 4.16Å; V49-E60 HydrophobicContact CG2-CB 4.49Å; V49-E60 PolarHBondContact N-O 3.32Å; V49-E60 PolarHBondContact O-N 2.81Å; V49-L62 HydrophobicContact CG2-CD1 3.9Å
50	Y	92	Very high	89.1	Confident	22 Å²	22	56.9 Å²	56.9	9%	0.086	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	157.4	179.1	-58.7	-92.4	0	0	0	111	R38 Y39 H41 V48 N52 L55 N57 C58	R38-Y50 VanDerWaalsContact CD-O 3.27Å; R38-Y50 WeakPolarHBondContact CD-O 3.36Å; Y39-Y50 HydrophobicContact CD1-CD2 4.43Å; Y39-Y50 PolarHBondContact N-O 3.11Å; Y39-Y50 PolarHBondContact O-N 2.68Å; H41-Y50 HydrophobicContact CB-CE2 3.94Å; V48-Y50 HydrophobicContact CB-CD2 4.34Å; V48-Y50 HydrophobicContact CB-CE2 3.57Å; V48-Y50 HydrophobicContact CG1-CD1 4.49Å; V48-Y50 HydrophobicContact CG1-CD2 4.03Å; V48-Y50 HydrophobicContact CG1-CE1 3.92Å; V48-Y50 HydrophobicContact CG1-CE2 3.41Å; V48-Y50 VanDerWaalsContact CG1-CE2 3.41Å; V48-Y50 WeakPolarHBondContact CG1-OH 3.28Å; Y50-N52 VanDerWaalsContact CB-O 3.23Å; Y50-N52 WeakPolarHBondContact CB-O 3.16Å; Y50-L55 HydrophobicContact CD1-CB 4.5Å; Y50-L55 HydrophobicContact CD1-CD2 4.46Å; Y50-L55 HydrophobicContact CD2-CD2 3.72Å; Y50-L55 HydrophobicContact CE1-CB 4.15Å; Y50-L55 HydrophobicContact CE1-CD2 4.21Å; Y50-L55 WeakPolarHBondContact CE1-O 3.27Å; Y50-L55 HydrophobicContact CE2-CD2 3.39Å; Y50-L55 HydrophobicContact CG-CD2 4.25Å; Y50-N57 CarbonylContact C-O 3.57Å; Y50-N57 WeakPolarHBondContact CA-O 3.31Å; Y50-N57 WeakPolarHBondContact CB-O 3.39Å; Y50-C58 HydrophobicContact CD1-CB 3.89Å; Y50-C58 HydrophobicContact CE1-CB 3.7Å
51	E	91.6	Very high	88.9	Confident	51 Å²	51	64.1 Å²	64.1	24%	0.238	31%	0.309	C	S	.	.	S	Bend	trans	-68.7	-41.4	169.3	-170	110.6	-120.8	0	0	110.7	K36 R38 N57 L59	K36-E51 IonicContact NZ-OE1 2.71Å; K36-E51 PolarHBondContact NZ-OE1 3.49Å; R38-E51 IonicContact CZ-OE1 2.71Å; R38-E51 IonicContact NH1-OE1 2.71Å; R38-E51 PolarHBondContact NH1-OE1 3.19Å; R38-E51 IonicContact NH2-OE1 3.12Å; R38-E51 PolarHBondContact NH2-OE1 2.87Å; R38-E51 IonicContact NH2-OE2 2.86Å; E51-N57 HydrophobicContact CB-CB 3.94Å; E51-N57 WeakPolarHBondContact CB-ND2 3.39Å; E51-N57 PolarHBondContact N-O 3.01Å; E51-N57 PolarHBondContact OE2-ND2 3.1Å; E51-N57 VanDerWaalsContact OE2-ND2 3.13Å; E51-L59 HydrophobicContact CB-CD1 3.87Å; E51-L59 HydrophobicContact CB-CD2 4.41Å; E51-L59 HydrophobicContact CB-CG 4.23Å
52	N	88.1	Confident	88.8	Confident	67 Å²	67	61.7 Å²	61.7	36%	0.358	30%	0.298	S	S	.	.	S	Bend	trans	-126.9	167.3	-170.8	-63.6	-13.6	0	0	0	111.2	Y39 Y50 D54	Y39-N52 WeakPolarHBondContact CB-O 3.38Å; Y50-N52 VanDerWaalsContact CB-O 3.23Å; Y50-N52 WeakPolarHBondContact CB-O 3.16Å; N52-D54 HydrophobicContact CB-CB 4.4Å; N52-D54 VanDerWaalsContact CB-CG 3.44Å; N52-D54 WeakPolarHBondContact CB-OD2 3.41Å; N52-D54 PolarHBondContact ND2-OD2 2.68Å; N52-D54 PolarHBondContact O-N 3.41Å
53	E	90.1	Very high	88.8	Confident	105 Å²	105	64.3 Å²	64.3	49%	0.491	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-6.3	171.9	-176.9	148.2	-152.1	0	0	113.3	W23 Y39 L55	W23-E53 HydrophobicContact CZ2-CB 3.9Å; W23-E53 PolarHBondContact NE1-OE2 2.87Å; Y39-E53 HydrophobicContact CD2-CB 3.85Å; Y39-E53 HydrophobicContact CD2-CG 4.01Å; Y39-E53 HydrophobicContact CE1-CG 4.3Å; Y39-E53 HydrophobicContact CE2-CB 3.9Å; Y39-E53 HydrophobicContact CE2-CG 3.51Å; Y39-E53 WeakPolarHBondContact CE2-OE1 3.31Å; Y39-E53 HydrophobicContact CG-CB 4.22Å; Y39-E53 VanDerWaalsContact CZ-OE1 3.27Å; Y39-E53 PolarHBondContact OH-OE1 3.35Å; E53-L55 PolarHBondContact O-N 3.47Å
54	D	84.8	Confident	89.2	Confident	73 Å²	73	61 Å²	61	39%	0.39	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.5	176	60.1	37.5	0	0	0	114.9	N52 Q56 N57	N52-D54 HydrophobicContact CB-CB 4.4Å; N52-D54 VanDerWaalsContact CB-CG 3.44Å; N52-D54 WeakPolarHBondContact CB-OD2 3.41Å; N52-D54 PolarHBondContact ND2-OD2 2.68Å; N52-D54 PolarHBondContact O-N 3.41Å; D54-Q56 HydrophobicContact CB-CG 4.23Å; D54-Q56 PolarHBondContact O-N 3.32Å; D54-Q56 WeakPolarHBondContact OD1-CB 3.49Å; D54-Q56 PolarHBondContact OD1-N 3.12Å; D54-N57 PolarHBondContact OD1-N 3.43Å
55	L	85.8	Confident	89.5	Confident	80 Å²	80	60.3 Å²	60.3	42%	0.419	30%	0.295	S	S	.	.	S	Bend	trans	58.7	8.7	-175.2	-56.5	167.3	0	0	0	114.9	Y39 Y50 E53	Y39-L55 HydrophobicContact CD1-CD2 4.22Å; Y39-L55 HydrophobicContact CE1-CD2 4.1Å; Y50-L55 HydrophobicContact CD1-CB 4.5Å; Y50-L55 HydrophobicContact CD1-CD2 4.46Å; Y50-L55 HydrophobicContact CD2-CD2 3.72Å; Y50-L55 HydrophobicContact CE1-CB 4.15Å; Y50-L55 HydrophobicContact CE1-CD2 4.21Å; Y50-L55 WeakPolarHBondContact CE1-O 3.27Å; Y50-L55 HydrophobicContact CE2-CD2 3.39Å; Y50-L55 HydrophobicContact CG-CD2 4.25Å; E53-L55 PolarHBondContact O-N 3.47Å
56	Q	80.8	Confident	89.6	Confident	167 Å²	167	60.5 Å²	60.5	78%	0.78	30%	0.295	S	S	*	.			trans	-84.2	-47	179.3	-58.9	-175.9	9.7	0	0	111	D54 C58	D54-Q56 HydrophobicContact CB-CG 4.23Å; D54-Q56 PolarHBondContact O-N 3.32Å; D54-Q56 WeakPolarHBondContact OD1-CB 3.49Å; D54-Q56 PolarHBondContact OD1-N 3.12Å; Q56-C58 PolarHBondContact O-N 3.01Å; Q56-C58 VanDerWaalsContact O-N 3.08Å
57	N	85.4	Confident	89.6	Confident	62 Å²	62	58.1 Å²	58.1	33%	0.332	28%	0.283	S	S	.	.			trans	-87.3	76.6	-177.1	-173.3	-4.5	0	0	0	111.4	Y50 E51 D54 L59	Y50-N57 CarbonylContact C-O 3.57Å; Y50-N57 WeakPolarHBondContact CA-O 3.31Å; Y50-N57 WeakPolarHBondContact CB-O 3.39Å; E51-N57 HydrophobicContact CB-CB 3.94Å; E51-N57 WeakPolarHBondContact CB-ND2 3.39Å; E51-N57 PolarHBondContact N-O 3.01Å; E51-N57 PolarHBondContact OE2-ND2 3.1Å; E51-N57 VanDerWaalsContact OE2-ND2 3.13Å; D54-N57 PolarHBondContact OD1-N 3.43Å; N57-L59 PolarHBondContact O-N 3.33Å; N57-L59 WeakPolarHBondContact OD1-CD2 3.47Å
58	C	89.3	Confident	89.6	Confident	55 Å²	55	62.2 Å²	62.2	37%	0.372	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	114.8	174.2	174.5	0	0	0	0	111.1	V48 Y50 Q56	V48-C58 HydrophobicContact CG1-CB 4.5Å; V48-C58 VanDerWaalsContact CG1-SG 3.53Å; Y50-C58 HydrophobicContact CD1-CB 3.89Å; Y50-C58 HydrophobicContact CE1-CB 3.7Å; Q56-C58 PolarHBondContact O-N 3.01Å; Q56-C58 VanDerWaalsContact O-N 3.08Å
59	L	88.7	Confident	89.5	Confident	72 Å²	72	64.3 Å²	64.3	38%	0.377	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-36.8	-175.7	-61.6	169.9	0	0	0	113.6	V49 E51 N57	V49-L59 WeakPolarHBondContact O-CB 3.44Å; V49-L59 PolarHBondContact O-N 2.91Å; E51-L59 HydrophobicContact CB-CD1 3.87Å; E51-L59 HydrophobicContact CB-CD2 4.41Å; E51-L59 HydrophobicContact CB-CG 4.23Å; N57-L59 PolarHBondContact O-N 3.33Å; N57-L59 WeakPolarHBondContact OD1-CD2 3.47Å
60	E	90.9	Very high	89.6	Confident	71 Å²	71	64.2 Å²	64.2	33%	0.332	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	135.3	-172.5	-156.5	-177.3	121.1	0	0	110.6	K26 V49 L62	K26-E60 IonicContact NZ-OE1 2.67Å; K26-E60 PolarHBondContact NZ-OE1 3.4Å; K26-E60 IonicContact NZ-OE2 3.94Å; K26-E60 PolarHBondContact NZ-OE2 3.46Å; V49-E60 HydrophobicContact CB-CB 4.16Å; V49-E60 HydrophobicContact CG2-CB 4.49Å; V49-E60 PolarHBondContact N-O 3.32Å; V49-E60 PolarHBondContact O-N 2.81Å; E60-L62 WeakPolarHBondContact OE1-CD2 3.4Å
61	R	91.5	Very high	89.6	Confident	153 Å²	153	67.8 Å²	67.8	58%	0.577	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.4	133.2	169.8	-67.4	-167.3	174.8	-169.4	-3.1	110.2	V48	V48-R61 HydrophobicContact CG1-CG 4.03Å; V48-R61 HydrophobicContact CG2-CG 4.11Å
62	L	91.1	Very high	89.6	Confident	6 Å²	6	69.6 Å²	69.6	3%	0.031	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	92.7	-178	-65.6	161.9	0	0	0	108.4	E46 V47 V49 E60 L64 Y67 V98 F100	E46-L62 WeakPolarHBondContact CA-O 3.4Å; V47-L62 HydrophobicContact CB-CB 4.2Å; V47-L62 PolarHBondContact N-O 2.67Å; V47-L62 WeakPolarHBondContact O-CB 3.4Å; V47-L62 PolarHBondContact O-N 2.82Å; V49-L62 HydrophobicContact CG2-CD1 3.9Å; E60-L62 WeakPolarHBondContact OE1-CD2 3.4Å; L62-L64 PolarHBondContact O-N 2.85Å; L62-Y67 HydrophobicContact CB-CE2 4.44Å; L62-Y67 HydrophobicContact CD2-CE2 4.07Å; L62-Y67 VanDerWaalsContact CD2-OH 3.3Å; L62-Y67 WeakPolarHBondContact CD2-OH 3.41Å; L62-V98 HydrophobicContact CD2-CG2 3.92Å; L62-F100 HydrophobicContact CD1-CZ 4.17Å
63	D	91	Very high	89.6	Confident	58 Å²	58	68.4 Å²	68.4	31%	0.31	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	117.2	168.9	164.6	20.4	0	0	0	109.8	E65 N66 Y67	D63-E65 VanDerWaalsContact C-N 3.31Å; D63-E65 PolarHBondContact O-N 3.13Å; D63-E65 WeakPolarHBondContact OD1-CB 3.42Å; D63-E65 PolarHBondContact OD1-N 2.68Å; D63-N66 WeakPolarHBondContact CB-ND2 3.49Å; D63-N66 PolarHBondContact O-N 2.71Å; D63-N66 PolarHBondContact O-ND2 2.82Å; D63-N66 PolarHBondContact OD2-ND2 2.83Å; D63-Y67 WeakPolarHBondContact O-CD2 3.29Å
64	L	92.3	Very high	89.1	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-77.7	-9.6	-174.6	-60.1	-178.3	0	0	0	114.4	T45 V47 L62 N66 Y67 L85 C118 I119 A122	T45-L64 VanDerWaalsContact O-CB 3.27Å; T45-L64 WeakPolarHBondContact O-CB 3.44Å; T45-L64 WeakPolarHBondContact O-CG 3.1Å; T45-L64 PolarHBondContact O-N 2.73Å; V47-L64 HydrophobicContact CG2-CD1 3.82Å; V47-L64 HydrophobicContact CG2-CD2 3.87Å; V47-L64 HydrophobicContact CG2-CG 4.02Å; L62-L64 PolarHBondContact O-N 2.85Å; L64-N66 PolarHBondContact O-N 3.04Å; L64-Y67 HydrophobicContact CD2-CD2 4.21Å; L64-Y67 PolarHBondContact O-N 2.8Å; L64-L85 HydrophobicContact CD2-CD1 4.22Å; L64-L85 HydrophobicContact CD2-CD2 3.89Å; L64-C118 HydrophobicContact CD1-CB 3.4Å; L64-C118 VanDerWaalsContact CD1-CB 3.4Å; L64-C118 WeakPolarHBondContact CD1-SG 3.49Å; L64-I119 HydrophobicContact CB-CG1 4.05Å; L64-I119 HydrophobicContact CD1-CG1 4.12Å; L64-I119 HydrophobicContact CD2-CG1 4.28Å; L64-I119 HydrophobicContact CG-CG1 4.4Å; L64-A122 HydrophobicContact CB-CB 3.96Å
65	E	89.5	Confident	88.5	Confident	122 Å²	122	70.2 Å²	70.2	57%	0.57	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-60.6	-28.5	169.3	-163.8	-179.8	154.1	0	0	110.5	D63 Y67 A122	D63-E65 VanDerWaalsContact C-N 3.31Å; D63-E65 PolarHBondContact O-N 3.13Å; D63-E65 WeakPolarHBondContact OD1-CB 3.42Å; D63-E65 PolarHBondContact OD1-N 2.68Å; E65-Y67 VanDerWaalsContact C-N 3.3Å; E65-Y67 PolarHBondContact O-N 2.82Å; E65-A122 HydrophobicContact CB-CB 4.47Å
66	N	89.1	Confident	87.5	Confident	41 Å²	41	72 Å²	72	22%	0.219	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-80.1	-1	176	-56.8	-80.1	0	0	0	114.9	D63 L64 S88 S91 I95	D63-N66 WeakPolarHBondContact CB-ND2 3.49Å; D63-N66 PolarHBondContact O-N 2.71Å; D63-N66 PolarHBondContact O-ND2 2.82Å; D63-N66 PolarHBondContact OD2-ND2 2.83Å; L64-N66 PolarHBondContact O-N 3.04Å; N66-S88 WeakPolarHBondContact O-CB 3.38Å; N66-S88 PolarHBondContact O-N 3.31Å; N66-S91 WeakPolarHBondContact O-CB 3.22Å; N66-S91 PolarHBondContact O-OG 2.89Å; N66-I95 HydrophobicContact CB-CD1 3.47Å; N66-I95 VanDerWaalsContact CB-CD1 3.47Å; N66-I95 HydrophobicContact CB-CG2 4.32Å; N66-I95 WeakPolarHBondContact OD1-CD1 3.34Å
67	Y	92.1	Very high	86.7	Confident	13 Å²	13	71.3 Å²	71.3	5%	0.051	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	144.6	-177.6	-67.4	-84.8	0	0	0	111.1	L62 D63 L64 E65 L85 I86 R87 I95 H96 V98 I119 K123	L62-Y67 HydrophobicContact CB-CE2 4.44Å; L62-Y67 HydrophobicContact CD2-CE2 4.07Å; L62-Y67 VanDerWaalsContact CD2-OH 3.3Å; L62-Y67 WeakPolarHBondContact CD2-OH 3.41Å; D63-Y67 WeakPolarHBondContact O-CD2 3.29Å; L64-Y67 HydrophobicContact CD2-CD2 4.21Å; L64-Y67 PolarHBondContact O-N 2.8Å; E65-Y67 VanDerWaalsContact C-N 3.3Å; E65-Y67 PolarHBondContact O-N 2.82Å; Y67-L85 HydrophobicContact CD1-CB 4.4Å; Y67-L85 HydrophobicContact CD1-CD1 4.46Å; Y67-L85 HydrophobicContact CD1-CD2 3.74Å; Y67-L85 HydrophobicContact CD1-CG 3.5Å; Y67-L85 HydrophobicContact CD2-CD2 3.9Å; Y67-L85 HydrophobicContact CD2-CG 4.38Å; Y67-L85 HydrophobicContact CE1-CD2 3.92Å; Y67-L85 HydrophobicContact CE1-CG 4.04Å; Y67-L85 HydrophobicContact CE2-CD2 4.07Å; Y67-L85 HydrophobicContact CG-CD1 4.28Å; Y67-L85 HydrophobicContact CG-CD2 3.72Å; Y67-L85 HydrophobicContact CG-CG 3.69Å; Y67-I86 WeakPolarHBondContact CA-O 3.44Å; Y67-R87 HydrophobicContact CD1-CB 4.46Å; Y67-R87 HydrophobicContact CE1-CB 4.46Å; Y67-I95 HydrophobicContact CE1-CG2 4.03Å; Y67-I95 HydrophobicContact CE2-CG2 4.21Å; Y67-H96 PolarHBondContact OH-O 2.83Å; Y67-V98 HydrophobicContact CE1-CG2 4.16Å; Y67-V98 WeakPolarHBondContact OH-CG2 3.27Å; Y67-I119 WeakPolarHBondContact O-CG2 3.5Å; Y67-K123 WeakPolarHBondContact O-CE 3.26Å
68	E	92.3	Very high	85.6	Confident	86 Å²	86	77.8 Å²	77.8	40%	0.402	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-46	-173.4	-176.7	159	-134.6	0	0	113.1	I86 P89 K123	E68-I86 PolarHBondContact N-O 3.24Å; E68-P89 WeakPolarHBondContact OE2-CD 3.33Å; E68-K123 PolarHBondContact O-NZ 3.13Å
69	T	91.3	Very high	84.5	Confident	44 Å²	44	84.7 Å²	84.7	27%	0.27	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	157.5	-177.3	47.8	0	0	0	0	111.1	H71 I86	T69-H71 VanDerWaalsContact CB-CE1 3.46Å; T69-H71 WeakPolarHBondContact CB-CE1 3.49Å; T69-H71 PolarHBondContact OG1-CE1 3.45Å; T69-I86 PolarHBondContact O-N 2.96Å
70	C	93.4	Very high	84	Confident	0 Å²	0	85.9 Å²	85.9	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	118.7	167.8	-178.4	0	0	0	0	108.9	V84 L85 L115 S116 I119	C70-V84 WeakPolarHBondContact CA-O 3.23Å; C70-L85 HydrophobicContact CB-CD1 3.97Å; C70-L115 HydrophobicContact CB-CB 3.86Å; C70-L115 VanDerWaalsContact SG-CD1 3.57Å; C70-S116 PolarHBondContact O-OG 2.88Å; C70-I119 HydrophobicContact CB-CD1 4.1Å
71	H	92.4	Very high	83.9	Confident	98 Å²	98	85.1 Å²	85.1	45%	0.454	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	160.8	-174	-67.4	147.6	0	0	0	112.5	T69 L73 L83 V84	T69-H71 VanDerWaalsContact CB-CE1 3.46Å; T69-H71 WeakPolarHBondContact CB-CE1 3.49Å; T69-H71 PolarHBondContact OG1-CE1 3.45Å; H71-L73 PolarHBondContact O-N 3.4Å; H71-L83 CarbonylContact O-C 3.38Å; H71-L83 VanDerWaalsContact O-CA 3.28Å; H71-L83 WeakPolarHBondContact O-CA 2.89Å; H71-V84 PolarHBondContact N-O 2.86Å; H71-V84 PolarHBondContact O-N 3.49Å
72	E	92.6	Very high	83.9	Confident	89 Å²	89	79.7 Å²	79.7	42%	0.416	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	124.9	170	173.2	158.7	-144.7	0	0	110.9	K74 K108 I112	E72-K74 PolarHBondContact O-N 2.89Å; E72-K108 HydrophobicContact CB-CD 4.26Å; E72-K108 VanDerWaalsContact CD-CD 3.48Å; E72-K108 HydrophobicContact CG-CD 3.95Å; E72-K108 WeakPolarHBondContact OE1-CD 3.42Å; E72-K108 IonicContact OE1-NZ 3.13Å; E72-K108 PolarHBondContact OE1-NZ 2.92Å; E72-K108 IonicContact OE2-NZ 3.8Å; E72-K108 PolarHBondContact OE2-NZ 2.93Å; E72-I112 HydrophobicContact CB-CD1 3.99Å
73	L	87.6	Confident	84	Confident	42 Å²	42	79.5 Å²	79.5	22%	0.22	38%	0.376	C	S	.	.			trans	-82.3	85.1	177.3	-179.1	63	0	0	0	109	H71 S75 R82 V84 K99	H71-L73 PolarHBondContact O-N 3.4Å; L73-S75 PolarHBondContact O-N 3.27Å; L73-R82 HydrophobicContact CB-CB 3.92Å; L73-R82 HydrophobicContact CD2-CB 4.28Å; L73-R82 HydrophobicContact CG-CB 4.44Å; L73-R82 PolarHBondContact N-O 3.08Å; L73-V84 HydrophobicContact CB-CB 4.26Å; L73-V84 HydrophobicContact CB-CG1 4.14Å; L73-V84 HydrophobicContact CD1-CB 4.39Å; L73-V84 HydrophobicContact CD1-CG1 4.13Å; L73-K99 HydrophobicContact CD2-CB 4.34Å; L73-K99 HydrophobicContact CD2-CD 4.09Å; L73-K99 HydrophobicContact CD2-CG 4.04Å
74	K	80.1	Confident	84.1	Confident	194 Å²	194	77.4 Å²	77.4	84%	0.843	37%	0.365	S	S	*	.			trans	-50.3	103.3	177.9	-70.4	-176.4	178.6	177.9	0	110.8	E72	E72-K74 PolarHBondContact O-N 2.89Å
75	S	70.9	Confident	84.2	Confident	22 Å²	22	77.4 Å²	77.4	15%	0.154	37%	0.366	C	S	.	.			trans	-101.8	135.6	-173.3	174.3	0	0	0	0	109.5	L73 F77 R82	L73-S75 PolarHBondContact O-N 3.27Å; S75-F77 WeakPolarHBondContact CB-O 2.99Å; S75-F77 PolarHBondContact O-N 2.99Å; S75-F77 PolarHBondContact OG-N 2.89Å; S75-F77 PolarHBondContact OG-O 3.44Å; S75-R82 PolarHBondContact OG-NH1 2.78Å
76	P	66.3	Low	84.3	Confident	116 Å²	116	74.2 Å²	74.2	75%	0.753	35%	0.352	S	S	*	.	S	Bend	trans	-61	-30.4	173.6	25.7	-33.3	0	0	0	111.1	K78	P76-K78 PolarHBondContact O-N 2.76Å
77	F	64	Low	84.5	Confident	154 Å²	154	75.9 Å²	75.9	68%	0.675	36%	0.355	S	S	*	.	S	Bend	trans	-82.9	98.1	168.5	-48.4	-74.1	0	0	0	109.5	S75 K79	S75-F77 WeakPolarHBondContact CB-O 2.99Å; S75-F77 PolarHBondContact O-N 2.99Å; S75-F77 PolarHBondContact OG-N 2.89Å; S75-F77 PolarHBondContact OG-O 3.44Å; F77-K79 PolarHBondContact O-N 2.84Å
78	K	61.4	Low	84.3	Confident	197 Å²	197	75.6 Å²	75.6	86%	0.857	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.7	-178.9	-66.9	-170.2	177.6	-175	0	114.9	P76 K80	P76-K78 PolarHBondContact O-N 2.76Å; K78-K80 PolarHBondContact O-N 3.49Å; K78-K80 VanDerWaalsContact O-N 3.15Å
79	K	65.6	Low	84	Confident	201 Å²	201	76.3 Å²	76.3	87%	0.874	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	18.5	-177.6	-63.3	-169.8	176	-173.4	0	115	F77	F77-K79 PolarHBondContact O-N 2.84Å
80	K	77.9	Confident	83.6	Confident	97 Å²	97	83.5 Å²	83.5	42%	0.422	39%	0.394	S	S	.	.	S	Bend	trans	-139.6	109.6	-178.3	-67.6	-172.2	165.9	-158.4	0	109.8	K78 R82 Q101	K78-K80 PolarHBondContact O-N 3.49Å; K78-K80 VanDerWaalsContact O-N 3.15Å; K80-R82 VanDerWaalsContact C-N 3.35Å; K80-R82 HydrophobicContact CB-CG 3.84Å; K80-R82 WeakPolarHBondContact O-CG 3.08Å; K80-R82 PolarHBondContact O-N 3.44Å; K80-Q101 HydrophobicContact CB-CG 4.37Å
81	H	89.6	Confident	82.7	Confident	55 Å²	55	84 Å²	84	26%	0.255	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	86.8	178.5	-54	-67.2	0	0	0	109.3	Q101 T102 Q103 T104 K108	H81-Q101 CarbonylContact O-C 3.52Å; H81-Q101 WeakPolarHBondContact O-CA 3.04Å; H81-T102 VanDerWaalsContact CB-OG1 3.26Å; H81-T102 WeakPolarHBondContact CB-OG1 3.45Å; H81-T102 PolarHBondContact O-N 3.32Å; H81-T102 PolarHBondContact O-OG1 3.25Å; H81-Q103 PolarHBondContact CD2-O 3.24Å; H81-T104 WeakPolarHBondContact CB-O 3.38Å; H81-T104 VanDerWaalsContact CG-C 3.46Å; H81-K108 HydrophobicContact CB-CB 4Å
82	R	91.3	Very high	81.7	Confident	39 Å²	39	81.8 Å²	81.8	15%	0.147	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	142.5	-170.3	-65.7	168.2	79.8	-162.2	5	110.5	Y35 L73 S75 K80 F100 Q101	Y35-R82 PolarHBondContact OH-NE 2.84Å; Y35-R82 PolarHBondContact OH-NH2 2.81Å; L73-R82 HydrophobicContact CB-CB 3.92Å; L73-R82 HydrophobicContact CD2-CB 4.28Å; L73-R82 HydrophobicContact CG-CB 4.44Å; L73-R82 PolarHBondContact N-O 3.08Å; S75-R82 PolarHBondContact OG-NH1 2.78Å; K80-R82 VanDerWaalsContact C-N 3.35Å; K80-R82 HydrophobicContact CB-CG 3.84Å; K80-R82 WeakPolarHBondContact O-CG 3.08Å; K80-R82 PolarHBondContact O-N 3.44Å; R82-F100 WeakPolarHBondContact CA-O 3.48Å; R82-Q101 HydrophobicContact CG-CB 4.02Å; R82-Q101 HydrophobicContact CG-CG 3.97Å
83	L	93.3	Very high	80.6	Confident	2 Å²	2	83.5 Å²	83.5	1%	0.01	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	154.8	175.4	63.4	99.1	0	0	0	110.1	H71 F100 T102 K108 W111 I112 L115	H71-L83 CarbonylContact O-C 3.38Å; H71-L83 VanDerWaalsContact O-CA 3.28Å; H71-L83 WeakPolarHBondContact O-CA 2.89Å; L83-F100 HydrophobicContact CD1-CB 3.94Å; L83-F100 HydrophobicContact CD1-CD2 3.71Å; L83-F100 HydrophobicContact CD1-CG 4.25Å; L83-F100 HydrophobicContact CG-CB 4.03Å; L83-F100 PolarHBondContact N-O 3.23Å; L83-F100 PolarHBondContact O-N 3.38Å; L83-T102 HydrophobicContact CD2-CG2 4.01Å; L83-K108 HydrophobicContact CB-CG 4.41Å; L83-K108 HydrophobicContact CD2-CG 4.24Å; L83-W111 HydrophobicContact CD2-CB 3.74Å; L83-I112 HydrophobicContact CB-CD1 4.04Å; L83-I112 HydrophobicContact CB-CG1 3.85Å; L83-I112 HydrophobicContact CD2-CG1 4.29Å; L83-L115 HydrophobicContact CD1-CD1 3.84Å
84	V	93	Very high	80.3	Confident	13 Å²	13	90.5 Å²	90.5	8%	0.079	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	128.5	-178.9	59.2	0	0	0	0	110.2	C70 H71 L73 I86 D97 V98 K99	C70-V84 WeakPolarHBondContact CA-O 3.23Å; H71-V84 PolarHBondContact N-O 2.86Å; H71-V84 PolarHBondContact O-N 3.49Å; L73-V84 HydrophobicContact CB-CB 4.26Å; L73-V84 HydrophobicContact CB-CG1 4.14Å; L73-V84 HydrophobicContact CD1-CB 4.39Å; L73-V84 HydrophobicContact CD1-CG1 4.13Å; V84-I86 HydrophobicContact CG1-CD1 4.37Å; V84-I86 HydrophobicContact CG1-CG1 4.13Å; V84-I86 HydrophobicContact CG2-CG1 4.14Å; V84-D97 HydrophobicContact CG2-CB 4.01Å; V84-V98 WeakPolarHBondContact CA-O 3.15Å; V84-K99 HydrophobicContact CB-CG 4.16Å; V84-K99 HydrophobicContact CG2-CG 3.8Å
85	L	93.8	Very high	80.5	Confident	1 Å²	1	83.2 Å²	83.2	1%	0.005	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	109.5	170.5	-173.5	71.2	0	0	0	107.2	L64 Y67 C70 D97 V98 F100 I119	L64-L85 HydrophobicContact CD2-CD1 4.22Å; L64-L85 HydrophobicContact CD2-CD2 3.89Å; Y67-L85 HydrophobicContact CD1-CB 4.4Å; Y67-L85 HydrophobicContact CD1-CD1 4.46Å; Y67-L85 HydrophobicContact CD1-CD2 3.74Å; Y67-L85 HydrophobicContact CD1-CG 3.5Å; Y67-L85 HydrophobicContact CD2-CD2 3.9Å; Y67-L85 HydrophobicContact CD2-CG 4.38Å; Y67-L85 HydrophobicContact CE1-CD2 3.92Å; Y67-L85 HydrophobicContact CE1-CG 4.04Å; Y67-L85 HydrophobicContact CE2-CD2 4.07Å; Y67-L85 HydrophobicContact CG-CD1 4.28Å; Y67-L85 HydrophobicContact CG-CD2 3.72Å; Y67-L85 HydrophobicContact CG-CG 3.69Å; C70-L85 HydrophobicContact CB-CD1 3.97Å; L85-D97 CarbonylContact O-C 3.51Å; L85-D97 VanDerWaalsContact O-CA 3.3Å; L85-D97 WeakPolarHBondContact O-CA 3.39Å; L85-V98 HydrophobicContact CB-CB 4.34Å; L85-V98 PolarHBondContact N-O 3.45Å; L85-V98 PolarHBondContact O-N 3.15Å; L85-F100 HydrophobicContact CB-CE2 4.31Å; L85-I119 HydrophobicContact CD1-CD1 3.59Å; L85-I119 HydrophobicContact CD1-CG1 4.28Å
86	I	93	Very high	81.3	Confident	54 Å²	54	86.2 Å²	86.2	28%	0.277	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	128.9	-170.5	-59.4	175.7	0	0	0	109.2	Y67 E68 T69 V84	Y67-I86 WeakPolarHBondContact CA-O 3.44Å; E68-I86 PolarHBondContact N-O 3.24Å; T69-I86 PolarHBondContact O-N 2.96Å; V84-I86 HydrophobicContact CG1-CD1 4.37Å; V84-I86 HydrophobicContact CG1-CG1 4.13Å; V84-I86 HydrophobicContact CG2-CG1 4.14Å
87	R	92.6	Very high	82.4	Confident	77 Å²	77	84 Å²	84	29%	0.291	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	145.7	-178.5	73.5	-176.6	-175.2	126.2	3.9	111.5	Y67 N93 I95 D97	Y67-R87 HydrophobicContact CD1-CB 4.46Å; Y67-R87 HydrophobicContact CE1-CB 4.46Å; R87-N93 PolarHBondContact NH1-OD1 3.2Å; R87-N93 PolarHBondContact NH2-OD1 2.87Å; R87-I95 HydrophobicContact CB-CG2 4.22Å; R87-I95 WeakPolarHBondContact CD-O 3.34Å; R87-D97 WeakPolarHBondContact CG-OD1 3.32Å; R87-D97 PolarHBondContact N-OD1 3.01Å
88	S	88.9	Confident	83.7	Confident	7 Å²	7	77.3 Å²	77.3	5%	0.049	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-70.4	136	173.7	176.1	0	0	0	0	110.6	N66 K90 S91	N66-S88 WeakPolarHBondContact O-CB 3.38Å; N66-S88 PolarHBondContact O-N 3.31Å; S88-K90 PolarHBondContact O-N 2.96Å; S88-K90 PolarHBondContact OG-N 2.66Å; S88-S91 WeakPolarHBondContact O-CB 3.45Å; S88-S91 PolarHBondContact O-N 2.66Å; S88-S91 PolarHBondContact O-OG 2.9Å
89	P	85.9	Confident	85.2	Confident	100 Å²	100	71.3 Å²	71.3	65%	0.649	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-15	172.7	28	-35.1	0	0	0	112.6	E68	E68-P89 WeakPolarHBondContact OE2-CD 3.33Å
90	K	82.3	Confident	86.5	Confident	196 Å²	196	61.9 Å²	61.9	85%	0.852	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-22.3	170.5	-55.5	179.6	-176.6	177.4	0	112.4	S88	S88-K90 PolarHBondContact O-N 2.96Å; S88-K90 PolarHBondContact OG-N 2.66Å
91	S	75.1	Confident	87.2	Confident	10 Å²	10	58.2 Å²	58.2	7%	0.07	29%	0.294	C	S	.	.	S	Bend	trans	-75.5	135.4	174.9	77.5	0	0	0	0	110.3	N66 S88	N66-S91 WeakPolarHBondContact O-CB 3.22Å; N66-S91 PolarHBondContact O-OG 2.89Å; S88-S91 WeakPolarHBondContact O-CB 3.45Å; S88-S91 PolarHBondContact O-N 2.66Å; S88-S91 PolarHBondContact O-OG 2.9Å
92	G	70.2	Confident	87.3	Confident	52 Å²	52	55.8 Å²	55.8	54%	0.536	28%	0.283	S	S	.	.			trans	-64.1	158.5	-179.1	0	0	0	0	0	112.7	K94 I95	G92-K94 PolarHBondContact O-N 3.2Å; G92-I95 PolarHBondContact O-N 3.29Å; G92-I95 VanDerWaalsContact O-N 3.09Å
93	N	70.6	Confident	87.3	Confident	124 Å²	124	60.4 Å²	60.4	66%	0.663	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	10.8	-177.1	-74	-31.8	0	0	0	116.7	R87 H96	R87-N93 PolarHBondContact NH1-OD1 3.2Å; R87-N93 PolarHBondContact NH2-OD1 2.87Å; N93-H96 PolarHBondContact O-NE2 3.29Å
94	K	80.4	Confident	87.1	Confident	190 Å²	190	62.9 Å²	62.9	83%	0.826	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-21.5	168.1	-62	-175.5	178.3	-176.7	0	112.8	G92 H96	G92-K94 PolarHBondContact O-N 3.2Å; K94-H96 PolarHBondContact O-CD2 2.95Å
95	I	85	Confident	87	Confident	41 Å²	41	65.1 Å²	65.1	21%	0.21	34%	0.335	C	S	.	.			trans	-101.9	145	-175.3	-62.5	-179.1	0	0	0	110.1	N66 Y67 R87 G92	N66-I95 HydrophobicContact CB-CD1 3.47Å; N66-I95 VanDerWaalsContact CB-CD1 3.47Å; N66-I95 HydrophobicContact CB-CG2 4.32Å; N66-I95 WeakPolarHBondContact OD1-CD1 3.34Å; Y67-I95 HydrophobicContact CE1-CG2 4.03Å; Y67-I95 HydrophobicContact CE2-CG2 4.21Å; R87-I95 HydrophobicContact CB-CG2 4.22Å; R87-I95 WeakPolarHBondContact CD-O 3.34Å; G92-I95 PolarHBondContact O-N 3.29Å; G92-I95 VanDerWaalsContact O-N 3.09Å
96	H	87	Confident	86.9	Confident	85 Å²	85	72.2 Å²	72.2	39%	0.394	37%	0.369	S	S	.	.			trans	-139	153.4	-166.6	-64.4	-75.6	0	0	0	111.7	R30 Y67 N93 K94 V98	R30-H96 VanDerWaalsContact CZ-CD2 3.44Å; R30-H96 PolarHBondContact NH2-CD2 3.37Å; R30-H96 VanDerWaalsContact NH2-CD2 3.29Å; Y67-H96 PolarHBondContact OH-O 2.83Å; N93-H96 PolarHBondContact O-NE2 3.29Å; K94-H96 PolarHBondContact O-CD2 2.95Å; H96-V98 PolarHBondContact O-N 2.81Å
97	D	90.6	Very high	86.9	Confident	70 Å²	70	72.8 Å²	72.8	37%	0.374	37%	0.37	S	S	.	.			trans	-64	124.6	179.3	-51.8	-32.6	0	0	0	111.5	V84 L85 R87	V84-D97 HydrophobicContact CG2-CB 4.01Å; L85-D97 CarbonylContact O-C 3.51Å; L85-D97 VanDerWaalsContact O-CA 3.3Å; L85-D97 WeakPolarHBondContact O-CA 3.39Å; R87-D97 WeakPolarHBondContact CG-OD1 3.32Å; R87-D97 PolarHBondContact N-OD1 3.01Å
98	V	91.3	Very high	86.9	Confident	13 Å²	13	69.3 Å²	69.3	8%	0.079	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.6	-178.3	-170.7	0	0	0	0	109.4	K26 L62 Y67 V84 L85 H96 F100	K26-V98 HydrophobicContact CD-CG1 4.48Å; K26-V98 VanDerWaalsContact CE-CG1 3.45Å; K26-V98 HydrophobicContact CG-CG1 4.39Å; L62-V98 HydrophobicContact CD2-CG2 3.92Å; Y67-V98 HydrophobicContact CE1-CG2 4.16Å; Y67-V98 WeakPolarHBondContact OH-CG2 3.27Å; V84-V98 WeakPolarHBondContact CA-O 3.15Å; L85-V98 HydrophobicContact CB-CB 4.34Å; L85-V98 PolarHBondContact N-O 3.45Å; L85-V98 PolarHBondContact O-N 3.15Å; H96-V98 PolarHBondContact O-N 2.81Å; V98-F100 HydrophobicContact CB-CE2 4Å; V98-F100 HydrophobicContact CB-CZ 4.18Å; V98-F100 HydrophobicContact CG1-CD2 4.32Å; V98-F100 HydrophobicContact CG1-CE1 3.92Å; V98-F100 HydrophobicContact CG1-CE2 3.55Å; V98-F100 HydrophobicContact CG1-CZ 3.32Å
99	K	92.1	Very high	87.2	Confident	70 Å²	70	74 Å²	74	30%	0.304	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	127.4	-174.7	-64.4	164.3	-174.1	163.3	0	109.5	A27 L73 V84	A27-K99 HydrophobicContact CB-CB 3.86Å; A27-K99 VanDerWaalsContact CB-O 3.23Å; A27-K99 WeakPolarHBondContact CB-O 3.23Å; A27-K99 PolarHBondContact N-O 2.93Å; L73-K99 HydrophobicContact CD2-CB 4.34Å; L73-K99 HydrophobicContact CD2-CD 4.09Å; L73-K99 HydrophobicContact CD2-CG 4.04Å; V84-K99 HydrophobicContact CB-CG 4.16Å; V84-K99 HydrophobicContact CG2-CG 3.8Å
100	F	92.6	Very high	87.5	Confident	3 Å²	3	71 Å²	71	1%	0.013	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	161.6	177.9	-54.6	-85.7	0	0	0	110.6	V24 K25 K26 L40 L62 R82 L83 L85 V98	V24-F100 HydrophobicContact CG2-CD1 3.89Å; K25-F100 CarbonylContact O-C 3.45Å; K25-F100 WeakPolarHBondContact O-CA 3.33Å; K26-F100 HydrophobicContact CB-CD1 4.04Å; K26-F100 HydrophobicContact CB-CE1 4.15Å; K26-F100 HydrophobicContact CD-CE1 3.97Å; K26-F100 HydrophobicContact CG-CD1 4.01Å; K26-F100 HydrophobicContact CG-CE1 3.76Å; L40-F100 HydrophobicContact CD1-CE1 4.09Å; L40-F100 HydrophobicContact CD2-CD1 4.04Å; L40-F100 HydrophobicContact CD2-CE1 3.53Å; L40-F100 HydrophobicContact CD2-CZ 3.86Å; L40-F100 HydrophobicContact CG-CE1 4.4Å; L62-F100 HydrophobicContact CD1-CZ 4.17Å; R82-F100 WeakPolarHBondContact CA-O 3.48Å; L83-F100 HydrophobicContact CD1-CB 3.94Å; L83-F100 HydrophobicContact CD1-CD2 3.71Å; L83-F100 HydrophobicContact CD1-CG 4.25Å; L83-F100 HydrophobicContact CG-CB 4.03Å; L83-F100 PolarHBondContact N-O 3.23Å; L83-F100 PolarHBondContact O-N 3.38Å; L85-F100 HydrophobicContact CB-CE2 4.31Å; V98-F100 HydrophobicContact CB-CE2 4Å; V98-F100 HydrophobicContact CB-CZ 4.18Å; V98-F100 HydrophobicContact CG1-CD2 4.32Å; V98-F100 HydrophobicContact CG1-CE1 3.92Å; V98-F100 HydrophobicContact CG1-CE2 3.55Å; V98-F100 HydrophobicContact CG1-CZ 3.32Å
101	Q	92.2	Very high	88.2	Confident	20 Å²	20	62 Å²	62	9%	0.093	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	130.7	171.1	-179.2	-169.1	-38	0	0	108.6	K25 Y35 K80 H81 R82	K25-Q101 HydrophobicContact CB-CB 4.08Å; K25-Q101 PolarHBondContact N-O 3.03Å; K25-Q101 PolarHBondContact O-N 3.47Å; Y35-Q101 HydrophobicContact CD1-CB 4.12Å; Y35-Q101 HydrophobicContact CE1-CB 3.82Å; K80-Q101 HydrophobicContact CB-CG 4.37Å; H81-Q101 CarbonylContact O-C 3.52Å; H81-Q101 WeakPolarHBondContact O-CA 3.04Å; R82-Q101 HydrophobicContact CG-CB 4.02Å; R82-Q101 HydrophobicContact CG-CG 3.97Å
102	T	92.7	Very high	89.1	Confident	4 Å²	4	63 Å²	63	3%	0.025	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	171.6	174.7	61.1	0	0	0	0	110.7	V24 H81 L83 T104 E107 K108 W111	V24-T102 HydrophobicContact CG1-CG2 3.98Å; H81-T102 VanDerWaalsContact CB-OG1 3.26Å; H81-T102 WeakPolarHBondContact CB-OG1 3.45Å; H81-T102 PolarHBondContact O-N 3.32Å; H81-T102 PolarHBondContact O-OG1 3.25Å; L83-T102 HydrophobicContact CD2-CG2 4.01Å; T102-T104 PolarHBondContact OG1-O 3Å; T102-E107 WeakPolarHBondContact CB-OE2 3.34Å; T102-E107 HydrophobicContact CG2-CB 4.01Å; T102-K108 HydrophobicContact CG2-CB 4.43Å; T102-K108 WeakPolarHBondContact OG1-CB 3.44Å; T102-K108 PolarHBondContact OG1-N 2.83Å; T102-W111 HydrophobicContact CG2-CG 4.32Å
103	Q	90.1	Very high	90.2	Very high	137 Å²	137	66.2 Å²	66.2	64%	0.64	33%	0.326	S	S	*	.	S	Bend	trans	-85.6	-32	177.3	-171.8	63	12.7	0	0	111.8	H81 E107	H81-Q103 PolarHBondContact CD2-O 3.24Å; Q103-E107 WeakPolarHBondContact CA-OE2 3.34Å; Q103-E107 WeakPolarHBondContact CB-OE2 3.3Å; Q103-E107 PolarHBondContact N-OE2 3.22Å
104	T	90	Very high	91.3	Very high	53 Å²	53	60.4 Å²	60.4	33%	0.325	30%	0.295	S	S	.	.	S	Bend	trans	-122.9	166	176.9	80.7	0	0	0	0	113.8	H81 T102 E106 E107 K108	H81-T104 WeakPolarHBondContact CB-O 3.38Å; H81-T104 VanDerWaalsContact CG-C 3.46Å; T102-T104 PolarHBondContact OG1-O 3Å; T104-E106 PolarHBondContact OG1-N 3.03Å; T104-E107 PolarHBondContact N-OE2 3.46Å; T104-E107 WeakPolarHBondContact OG1-CB 3.35Å; T104-E107 WeakPolarHBondContact OG1-CG 3.44Å; T104-E107 PolarHBondContact OG1-N 2.99Å; T104-K108 PolarHBondContact O-N 2.84Å
105	V	90.8	Very high	91.9	Very high	60 Å²	60	51.4 Å²	51.4	36%	0.364	26%	0.256	S	S	.	.	H	α-helix	trans	-70.5	-36.8	174.5	69	0	0	0	0	112.1	K108 E109	V105-K108 WeakPolarHBondContact O-CB 3.11Å; V105-K108 PolarHBondContact O-N 2.84Å; V105-E109 PolarHBondContact O-N 3.09Å
106	E	92.3	Very high	92.3	Very high	151 Å²	151	51.2 Å²	51.2	71%	0.706	26%	0.259	S	S	*	.	H	α-helix	trans	-65.5	-40.9	176.9	-65.7	164.6	-159.7	0	0	110.9	T104 E109 A110	T104-E106 PolarHBondContact OG1-N 3.03Å; E106-E109 PolarHBondContact O-N 3.48Å; E106-A110 VanDerWaalsContact O-CB 3.3Å; E106-A110 WeakPolarHBondContact O-CB 3.5Å; E106-A110 PolarHBondContact O-N 3.32Å
107	E	93.1	Very high	92.6	Very high	65 Å²	65	49.3 Å²	49.3	30%	0.304	25%	0.251	S	S	.	.	H	α-helix	trans	-60.1	-44.8	170.7	-76.7	173.6	168.8	0	0	111.7	T102 Q103 T104 E109 A110 W111	T102-E107 WeakPolarHBondContact CB-OE2 3.34Å; T102-E107 HydrophobicContact CG2-CB 4.01Å; Q103-E107 WeakPolarHBondContact CA-OE2 3.34Å; Q103-E107 WeakPolarHBondContact CB-OE2 3.3Å; Q103-E107 PolarHBondContact N-OE2 3.22Å; T104-E107 PolarHBondContact N-OE2 3.46Å; T104-E107 WeakPolarHBondContact OG1-CB 3.35Å; T104-E107 WeakPolarHBondContact OG1-CG 3.44Å; T104-E107 PolarHBondContact OG1-N 2.99Å; E107-E109 VanDerWaalsContact C-N 3.3Å; E107-E109 PolarHBondContact O-N 3.22Å; E107-A110 PolarHBondContact O-N 2.95Å; E107-W111 WeakPolarHBondContact O-CB 3.37Å; E107-W111 PolarHBondContact O-N 3.06Å
108	K	92.8	Very high	92.6	Very high	4 Å²	4	46 Å²	46	2%	0.017	23%	0.233	C	C	.	.	H	α-helix	trans	-57.7	-45.1	177.9	173.2	-140.5	67.5	177.9	0	110.5	E72 H81 L83 T102 T104 V105 I112	E72-K108 HydrophobicContact CB-CD 4.26Å; E72-K108 VanDerWaalsContact CD-CD 3.48Å; E72-K108 HydrophobicContact CG-CD 3.95Å; E72-K108 WeakPolarHBondContact OE1-CD 3.42Å; E72-K108 IonicContact OE1-NZ 3.13Å; E72-K108 PolarHBondContact OE1-NZ 2.92Å; E72-K108 IonicContact OE2-NZ 3.8Å; E72-K108 PolarHBondContact OE2-NZ 2.93Å; H81-K108 HydrophobicContact CB-CB 4Å; L83-K108 HydrophobicContact CB-CG 4.41Å; L83-K108 HydrophobicContact CD2-CG 4.24Å; T102-K108 HydrophobicContact CG2-CB 4.43Å; T102-K108 WeakPolarHBondContact OG1-CB 3.44Å; T102-K108 PolarHBondContact OG1-N 2.83Å; T104-K108 PolarHBondContact O-N 2.84Å; V105-K108 WeakPolarHBondContact O-CB 3.11Å; V105-K108 PolarHBondContact O-N 2.84Å; K108-I112 HydrophobicContact CD-CD1 4.25Å; K108-I112 HydrophobicContact CG-CD1 3.87Å; K108-I112 WeakPolarHBondContact O-CB 3.47Å; K108-I112 VanDerWaalsContact O-CG1 3.22Å; K108-I112 WeakPolarHBondContact O-CG1 3.3Å; K108-I112 PolarHBondContact O-N 2.94Å
109	E	93.3	Very high	92.6	Very high	105 Å²	105	45.5 Å²	45.5	49%	0.491	23%	0.23	S	C	.	.	H	α-helix	trans	-70.8	-39.9	178.2	-84.6	153.9	-138.2	0	0	112.8	V105 E106 E107 W111 I112 K113	V105-E109 PolarHBondContact O-N 3.09Å; E106-E109 PolarHBondContact O-N 3.48Å; E107-E109 VanDerWaalsContact C-N 3.3Å; E107-E109 PolarHBondContact O-N 3.22Å; E109-W111 PolarHBondContact O-N 2.86Å; E109-I112 PolarHBondContact O-N 2.88Å; E109-K113 VanDerWaalsContact O-CB 3.27Å; E109-K113 WeakPolarHBondContact O-CB 3.48Å; E109-K113 PolarHBondContact O-N 3.35Å
110	A	94.2	Very high	92.6	Very high	39 Å²	39	45 Å²	45	32%	0.322	24%	0.236	S	C	.	.	H	α-helix	trans	-63.7	-38.4	173.2	0	0	0	0	0	112.6	K20 E106 E107 A114	K20-A110 HydrophobicContact CD-CB 4.41Å; E106-A110 VanDerWaalsContact O-CB 3.3Å; E106-A110 WeakPolarHBondContact O-CB 3.5Å; E106-A110 PolarHBondContact O-N 3.32Å; E107-A110 PolarHBondContact O-N 2.95Å; A110-A114 VanDerWaalsContact O-CB 3.31Å; A110-A114 WeakPolarHBondContact O-CB 3.14Å; A110-A114 PolarHBondContact O-N 2.85Å
111	W	95	Very high	92.3	Very high	7 Å²	7	45.7 Å²	45.7	3%	0.027	24%	0.238	C	C	.	.	H	α-helix	trans	-70.4	-44.7	173.9	-82.2	111.9	0	0	0	111.8	K20 V24 L40 V42 L83 T102 E107 E109 K113 A114 L115	K20-W111 HydrophobicContact CB-CZ3 4.4Å; K20-W111 HydrophobicContact CD-CD2 3.82Å; K20-W111 HydrophobicContact CD-CE3 4.01Å; K20-W111 HydrophobicContact CD-CG 4.18Å; K20-W111 HydrophobicContact CD-CZ2 4.44Å; K20-W111 HydrophobicContact CD-CZ3 4.4Å; K20-W111 VanDerWaalsContact CE-CD1 3.5Å; K20-W111 VanDerWaalsContact CE-CE2 3.45Å; K20-W111 HydrophobicContact CG-CD2 4.35Å; K20-W111 HydrophobicContact CG-CE3 4.28Å; K20-W111 HydrophobicContact CG-CH2 4.08Å; K20-W111 HydrophobicContact CG-CZ2 4.16Å; K20-W111 HydrophobicContact CG-CZ3 4.15Å; V24-W111 HydrophobicContact CG1-CD2 4.32Å; V24-W111 HydrophobicContact CG1-CG 4.47Å; V24-W111 HydrophobicContact CG1-CZ2 4.01Å; V24-W111 VanDerWaalsContact CG1-NE1 3.26Å; L40-W111 HydrophobicContact CB-CH2 3.49Å; L40-W111 VanDerWaalsContact CB-CH2 3.49Å; L40-W111 HydrophobicContact CB-CZ2 4.24Å; L40-W111 HydrophobicContact CB-CZ3 3.95Å; L40-W111 HydrophobicContact CD2-CH2 4.49Å; L40-W111 HydrophobicContact CD2-CZ3 4.22Å; V42-W111 HydrophobicContact CG2-CE3 4.49Å; V42-W111 HydrophobicContact CG2-CZ3 3.76Å; L83-W111 HydrophobicContact CD2-CB 3.74Å; T102-W111 HydrophobicContact CG2-CG 4.32Å; E107-W111 WeakPolarHBondContact O-CB 3.37Å; E107-W111 PolarHBondContact O-N 3.06Å; E109-W111 PolarHBondContact O-N 2.86Å; W111-K113 VanDerWaalsContact C-N 3.3Å; W111-K113 PolarHBondContact O-N 2.72Å; W111-A114 PolarHBondContact O-N 2.9Å; W111-L115 VanDerWaalsContact O-CB 3.25Å; W111-L115 WeakPolarHBondContact O-CB 3.49Å; W111-L115 WeakPolarHBondContact O-CG 3.38Å; W111-L115 PolarHBondContact O-N 2.98Å
112	I	94.4	Very high	92.2	Very high	29 Å²	29	44.9 Å²	44.9	15%	0.149	24%	0.235	C	C	.	.	H	α-helix	trans	-57.6	-43.8	173.2	-75.7	166.1	0	0	0	110.8	E72 L83 K108 E109 S116	E72-I112 HydrophobicContact CB-CD1 3.99Å; L83-I112 HydrophobicContact CB-CD1 4.04Å; L83-I112 HydrophobicContact CB-CG1 3.85Å; L83-I112 HydrophobicContact CD2-CG1 4.29Å; K108-I112 HydrophobicContact CD-CD1 4.25Å; K108-I112 HydrophobicContact CG-CD1 3.87Å; K108-I112 WeakPolarHBondContact O-CB 3.47Å; K108-I112 VanDerWaalsContact O-CG1 3.22Å; K108-I112 WeakPolarHBondContact O-CG1 3.3Å; K108-I112 PolarHBondContact O-N 2.94Å; E109-I112 PolarHBondContact O-N 2.88Å; I112-S116 VanDerWaalsContact O-CB 3.23Å; I112-S116 WeakPolarHBondContact O-CB 3.41Å; I112-S116 PolarHBondContact O-N 2.95Å; I112-S116 PolarHBondContact O-OG 3Å
113	K	93.9	Very high	91.9	Very high	121 Å²	121	49.2 Å²	49.2	53%	0.526	25%	0.254	S	S	.	.	H	α-helix	trans	-64.4	-51.1	178.4	-171.8	-180	-172.9	-61.6	0	111.6	L18 E109 W111 L115 S116 D117	L18-K113 HydrophobicContact CD2-CD 4.47Å; E109-K113 VanDerWaalsContact O-CB 3.27Å; E109-K113 WeakPolarHBondContact O-CB 3.48Å; E109-K113 PolarHBondContact O-N 3.35Å; W111-K113 VanDerWaalsContact C-N 3.3Å; W111-K113 PolarHBondContact O-N 2.72Å; K113-L115 PolarHBondContact O-N 2.86Å; K113-S116 PolarHBondContact O-N 3.49Å; K113-D117 WeakPolarHBondContact O-CB 3.35Å; K113-D117 PolarHBondContact O-N 3.04Å
114	A	93.8	Very high	91.6	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-63.2	-40.7	179.9	0	0	0	0	0	112.4	K20 A110 W111 C118	K20-A114 HydrophobicContact CB-CB 3.83Å; K20-A114 HydrophobicContact CD-CB 3.99Å; A110-A114 VanDerWaalsContact O-CB 3.31Å; A110-A114 WeakPolarHBondContact O-CB 3.14Å; A110-A114 PolarHBondContact O-N 2.85Å; W111-A114 PolarHBondContact O-N 2.9Å; A114-C118 WeakPolarHBondContact O-CB 3.44Å; A114-C118 PolarHBondContact O-N 2.84Å
115	L	93.9	Very high	91	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-68.5	-43.6	177	-68.9	170.8	0	0	0	111.7	V42 V47 C70 L83 W111 K113 C118 I119	V42-L115 HydrophobicContact CG2-CD2 4.36Å; V47-L115 HydrophobicContact CG2-CD2 3.58Å; C70-L115 HydrophobicContact CB-CB 3.86Å; C70-L115 VanDerWaalsContact SG-CD1 3.57Å; L83-L115 HydrophobicContact CD1-CD1 3.84Å; W111-L115 VanDerWaalsContact O-CB 3.25Å; W111-L115 WeakPolarHBondContact O-CB 3.49Å; W111-L115 WeakPolarHBondContact O-CG 3.38Å; W111-L115 PolarHBondContact O-N 2.98Å; K113-L115 PolarHBondContact O-N 2.86Å; L115-C118 PolarHBondContact O-N 3.49Å; L115-I119 VanDerWaalsContact O-CG1 3.23Å; L115-I119 WeakPolarHBondContact O-CG1 3.19Å; L115-I119 PolarHBondContact O-N 2.83Å
116	S	93.3	Very high	89.6	Confident	37 Å²	37	50.7 Å²	50.7	26%	0.259	26%	0.262	S	S	.	.	H	α-helix	trans	-68.3	-38.5	179.4	-55.2	0	0	0	0	112.7	C70 I112 K113 S120	C70-S116 PolarHBondContact O-OG 2.88Å; I112-S116 VanDerWaalsContact O-CB 3.23Å; I112-S116 WeakPolarHBondContact O-CB 3.41Å; I112-S116 PolarHBondContact O-N 2.95Å; I112-S116 PolarHBondContact O-OG 3Å; K113-S116 PolarHBondContact O-N 3.49Å; S116-S120 WeakPolarHBondContact O-CB 3.19Å; S116-S120 PolarHBondContact O-N 2.86Å; S116-S120 PolarHBondContact O-OG 3.19Å
117	D	91.6	Very high	88.1	Confident	44 Å²	44	51 Å²	51	24%	0.235	26%	0.261	C	S	.	.	H	α-helix	trans	-58.2	-47.8	169.1	173.9	35.8	0	0	0	110.7	L18 K113 S120 R121	L18-D117 PolarHBondContact N-OD2 2.73Å; K113-D117 WeakPolarHBondContact O-CB 3.35Å; K113-D117 PolarHBondContact O-N 3.04Å; D117-S120 WeakPolarHBondContact O-CB 3.32Å; D117-S120 PolarHBondContact O-N 2.82Å; D117-R121 PolarHBondContact O-N 3.34Å; D117-R121 IonicContact OD1-CZ 2.68Å; D117-R121 IonicContact OD1-NH1 2.66Å; D117-R121 PolarHBondContact OD1-NH1 2.74Å; D117-R121 IonicContact OD2-CZ 2.73Å; D117-R121 IonicContact OD2-NH1 2.66Å; D117-R121 PolarHBondContact OD2-NH1 3.35Å
118	C	91.1	Very high	86.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68.5	-36.9	179.4	-156.4	0	0	0	0	114	V42 K44 T45 L64 A114 L115 S120 R121 A122	V42-C118 HydrophobicContact CG1-CB 3.73Å; V42-C118 WeakPolarHBondContact CG1-SG 3.32Å; K44-C118 VanDerWaalsContact C-SG 3.52Å; K44-C118 PolarHBondContact O-SG 3.04Å; T45-C118 VanDerWaalsContact CA-SG 3.57Å; L64-C118 HydrophobicContact CD1-CB 3.4Å; L64-C118 VanDerWaalsContact CD1-CB 3.4Å; L64-C118 WeakPolarHBondContact CD1-SG 3.49Å; A114-C118 WeakPolarHBondContact O-CB 3.44Å; A114-C118 PolarHBondContact O-N 2.84Å; L115-C118 PolarHBondContact O-N 3.49Å; C118-S120 VanDerWaalsContact C-N 3.34Å; C118-R121 PolarHBondContact SG-NH2 2.8Å; C118-R121 VanDerWaalsContact SG-NH2 3.36Å; C118-A122 WeakPolarHBondContact O-CB 3.47Å; C118-A122 PolarHBondContact O-N 2.79Å
119	I	92.4	Very high	85.2	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-62.1	-42.7	169.8	-66.2	162.3	0	0	0	110.6	L64 Y67 C70 L85 L115 R121 A122 K123	L64-I119 HydrophobicContact CB-CG1 4.05Å; L64-I119 HydrophobicContact CD1-CG1 4.12Å; L64-I119 HydrophobicContact CD2-CG1 4.28Å; L64-I119 HydrophobicContact CG-CG1 4.4Å; Y67-I119 WeakPolarHBondContact O-CG2 3.5Å; C70-I119 HydrophobicContact CB-CD1 4.1Å; L85-I119 HydrophobicContact CD1-CD1 3.59Å; L85-I119 HydrophobicContact CD1-CG1 4.28Å; L115-I119 VanDerWaalsContact O-CG1 3.23Å; L115-I119 WeakPolarHBondContact O-CG1 3.19Å; L115-I119 PolarHBondContact O-N 2.83Å; I119-R121 VanDerWaalsContact C-N 3.34Å; I119-R121 PolarHBondContact O-N 3.44Å; I119-A122 PolarHBondContact O-N 3.03Å; I119-K123 HydrophobicContact CG2-CD 3.88Å; I119-K123 HydrophobicContact CG2-CG 4.4Å; I119-K123 WeakPolarHBondContact O-CG 3.38Å; I119-K123 PolarHBondContact O-N 3.42Å
120	S	90.3	Very high	83.6	Confident	60 Å²	60	58 Å²	58	42%	0.42	30%	0.303	S	S	.	.	H	α-helix	trans	-62.3	-43.6	-178.5	-58.8	0	0	0	0	110.7	S116 D117 C118 K123 N124	S116-S120 WeakPolarHBondContact O-CB 3.19Å; S116-S120 PolarHBondContact O-N 2.86Å; S116-S120 PolarHBondContact O-OG 3.19Å; D117-S120 WeakPolarHBondContact O-CB 3.32Å; D117-S120 PolarHBondContact O-N 2.82Å; C118-S120 VanDerWaalsContact C-N 3.34Å; S120-K123 PolarHBondContact O-N 2.86Å; S120-N124 WeakPolarHBondContact O-CB 3.22Å; S120-N124 PolarHBondContact O-N 3Å; S120-N124 PolarHBondContact O-ND2 2.73Å
121	R	87.4	Confident	82.2	Confident	16 Å²	16	64.4 Å²	64.4	6%	0.06	32%	0.324	C	S	.	.	H	α-helix	trans	-64.2	-44.1	171.5	-65.3	-168	-61.1	-94.6	0.9	113.6	F17 K44 T45 D117 C118 I119 K123 N124 K125 D128	F17-R121 HydrophobicContact CE1-CG 4.48Å; K44-R121 PolarHBondContact O-NE 3Å; K44-R121 PolarHBondContact O-NH2 3.33Å; T45-R121 HydrophobicContact CG2-CB 4.41Å; D117-R121 PolarHBondContact O-N 3.34Å; D117-R121 IonicContact OD1-CZ 2.68Å; D117-R121 IonicContact OD1-NH1 2.66Å; D117-R121 PolarHBondContact OD1-NH1 2.74Å; D117-R121 IonicContact OD2-CZ 2.73Å; D117-R121 IonicContact OD2-NH1 2.66Å; D117-R121 PolarHBondContact OD2-NH1 3.35Å; C118-R121 PolarHBondContact SG-NH2 2.8Å; C118-R121 VanDerWaalsContact SG-NH2 3.36Å; I119-R121 VanDerWaalsContact C-N 3.34Å; I119-R121 PolarHBondContact O-N 3.44Å; R121-K123 VanDerWaalsContact C-N 3.27Å; R121-K123 PolarHBondContact O-N 3.32Å; R121-N124 CarbonylContact O-C 3.58Å; R121-N124 PolarHBondContact O-N 2.9Å; R121-N124 VanDerWaalsContact O-N 3.13Å; R121-K125 WeakPolarHBondContact O-CA 3.35Å; R121-K125 PolarHBondContact O-N 2.96Å; R121-D128 WeakPolarHBondContact CG-OD2 3.28Å
122	A	89.1	Confident	80.7	Confident	4 Å²	4	69.2 Å²	69.2	3%	0.033	35%	0.353	C	S	.	.	H	α-helix	trans	-57.9	-42.6	178.6	0	0	0	0	0	111.4	T45 L64 E65 C118 I119	T45-A122 HydrophobicContact CG2-CB 4.18Å; L64-A122 HydrophobicContact CB-CB 3.96Å; E65-A122 HydrophobicContact CB-CB 4.47Å; C118-A122 WeakPolarHBondContact O-CB 3.47Å; C118-A122 PolarHBondContact O-N 2.79Å; I119-A122 PolarHBondContact O-N 3.03Å
123	K	86.9	Confident	79.3	Confident	94 Å²	94	72.5 Å²	72.5	41%	0.409	37%	0.371	S	S	.	.	H	α-helix	trans	-69.4	-36.6	174.1	-69.6	171.5	171.4	-178.2	0	113.8	Y67 E68 I119 S120 R121	Y67-K123 WeakPolarHBondContact O-CE 3.26Å; E68-K123 PolarHBondContact O-NZ 3.13Å; I119-K123 HydrophobicContact CG2-CD 3.88Å; I119-K123 HydrophobicContact CG2-CG 4.4Å; I119-K123 WeakPolarHBondContact O-CG 3.38Å; I119-K123 PolarHBondContact O-N 3.42Å; S120-K123 PolarHBondContact O-N 2.86Å; R121-K123 VanDerWaalsContact C-N 3.27Å; R121-K123 PolarHBondContact O-N 3.32Å
124	N	84.1	Confident	77.9	Confident	79 Å²	79	75.2 Å²	75.2	42%	0.422	39%	0.386	S	S	.	.	H	α-helix	trans	-94.5	11.2	-177.2	-65.6	-13.5	0	0	0	113.4	S120 R121 V126 F127 D128	S120-N124 WeakPolarHBondContact O-CB 3.22Å; S120-N124 PolarHBondContact O-N 3Å; S120-N124 PolarHBondContact O-ND2 2.73Å; R121-N124 CarbonylContact O-C 3.58Å; R121-N124 PolarHBondContact O-N 2.9Å; R121-N124 VanDerWaalsContact O-N 3.13Å; N124-V126 PolarHBondContact O-N 3.41Å; N124-F127 WeakPolarHBondContact O-CA 3.41Å; N124-F127 WeakPolarHBondContact O-CB 3.37Å; N124-F127 PolarHBondContact O-N 3.22Å; N124-D128 PolarHBondContact O-N 2.79Å
125	K	76.5	Confident	76.4	Confident	91 Å²	91	79.7 Å²	79.7	40%	0.396	42%	0.417	S	S	.	.	H	α-helix	trans	-48.6	-41.6	-173.5	-178.9	179.4	177.4	-178.6	0	113.6	R121 F127 D128 E129	R121-K125 WeakPolarHBondContact O-CA 3.35Å; R121-K125 PolarHBondContact O-N 2.96Å; K125-F127 PolarHBondContact O-N 3.36Å; K125-D128 PolarHBondContact O-N 3.31Å; K125-E129 WeakPolarHBondContact CE-OE1 3.38Å; K125-E129 HydrophobicContact CG-CG 4.34Å; K125-E129 WeakPolarHBondContact CG-OE1 3.13Å; K125-E129 VanDerWaalsContact O-CB 3.31Å; K125-E129 WeakPolarHBondContact O-CB 3.2Å; K125-E129 WeakPolarHBondContact O-CG 3.36Å; K125-E129 PolarHBondContact O-N 3.18Å
126	V	62.9	Low	74.9	Confident	112 Å²	112	82.7 Å²	82.7	68%	0.679	44%	0.439	S	S	*	.	H	α-helix	trans	-63	-25.7	178.6	-178.9	0	0	0	0	112.9	N124 V130	N124-V126 PolarHBondContact O-N 3.41Å; V126-V130 WeakPolarHBondContact O-CG2 3.17Å
127	F	59.8	Low	73.6	Confident	158 Å²	158	87 Å²	87	69%	0.693	46%	0.459	S	S	*	.	H	α-helix	trans	-93.1	-41.2	176.4	-63.7	-76.9	0	0	0	112.4	N124 K125 E129 V130	N124-F127 WeakPolarHBondContact O-CA 3.41Å; N124-F127 WeakPolarHBondContact O-CB 3.37Å; N124-F127 PolarHBondContact O-N 3.22Å; K125-F127 PolarHBondContact O-N 3.36Å; F127-E129 PolarHBondContact O-N 3.02Å; F127-V130 PolarHBondContact O-N 3.49Å
128	D	61.2	Low	72.3	Confident	87 Å²	87	92.5 Å²	92.5	47%	0.465	49%	0.487	S	S	.	.	H	α-helix	trans	-64.5	-24.3	175.8	-74.2	-11.5	0	0	0	112.5	R121 N124 K125	R121-D128 WeakPolarHBondContact CG-OD2 3.28Å; N124-D128 PolarHBondContact O-N 2.79Å; K125-D128 PolarHBondContact O-N 3.31Å
129	E	63.1	Low	71.4	Confident	130 Å²	130	97.4 Å²	97.4	61%	0.607	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-6.3	173.8	-70.1	177.2	-178.1	0	0	113.7	K125 F127 K131	K125-E129 WeakPolarHBondContact CE-OE1 3.38Å; K125-E129 HydrophobicContact CG-CG 4.34Å; K125-E129 WeakPolarHBondContact CG-OE1 3.13Å; K125-E129 VanDerWaalsContact O-CB 3.31Å; K125-E129 WeakPolarHBondContact O-CB 3.2Å; K125-E129 WeakPolarHBondContact O-CG 3.36Å; K125-E129 PolarHBondContact O-N 3.18Å; F127-E129 PolarHBondContact O-N 3.02Å; E129-K131 VanDerWaalsContact C-N 3.25Å; E129-K131 PolarHBondContact O-N 2.79Å
130	V	60.5	Low	70.2	Confident	103 Å²	103	104.1 Å²	104.1	62%	0.624	54%	0.541	S	S	*	.			trans	-76.9	77.1	173.6	-169.3	0	0	0	0	110.5	V126 F127	V126-V130 WeakPolarHBondContact O-CG2 3.17Å; F127-V130 PolarHBondContact O-N 3.49Å
131	K	65.5	Low	69.2	Low	173 Å²	173	108.8 Å²	108.8	75%	0.752	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-72.3	127.9	158.5	-62.9	-175.5	179.7	-174.5	0	108.4	E129 D133	E129-K131 VanDerWaalsContact C-N 3.25Å; E129-K131 PolarHBondContact O-N 2.79Å; K131-D133 PolarHBondContact O-N 3.27Å
132	V	62.8	Low	68.1	Low	108 Å²	108	112.9 Å²	112.9	66%	0.655	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-62.4	116.7	159.3	-179.6	0	0	0	0	105.9
133	D	64.8	Low	67.3	Low	98 Å²	98	121.6 Å²	121.6	52%	0.524	62%	0.618	S	S	.	*	P	Polyproline II helix	trans	-63.7	149	178.7	-178	32.1	0	0	0	110.3	K131 S135 S136	K131-D133 PolarHBondContact O-N 3.27Å; D133-S135 PolarHBondContact O-N 3.18Å; D133-S135 VanDerWaalsContact OD2-CB 3.26Å; D133-S135 WeakPolarHBondContact OD2-CB 3.48Å; D133-S135 PolarHBondContact OD2-OG 2.93Å; D133-S136 WeakPolarHBondContact O-CA 3.38Å; D133-S136 VanDerWaalsContact O-CB 3.27Å; D133-S136 WeakPolarHBondContact O-CB 3.33Å; D133-S136 PolarHBondContact O-N 2.87Å
134	E	65.3	Low	66.3	Low	179 Å²	179	122 Å²	122	84%	0.836	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-11.9	179.3	-66.9	-176.9	173.5	0	0	112.2	N137	E134-N137 PolarHBondContact O-ND2 3.25Å
135	S	61.5	Low	66	Low	95 Å²	95	126.8 Å²	126.8	66%	0.664	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-27.9	163.3	80.2	0	0	0	0	113.2	D133 N137	D133-S135 PolarHBondContact O-N 3.18Å; D133-S135 VanDerWaalsContact OD2-CB 3.26Å; D133-S135 WeakPolarHBondContact OD2-CB 3.48Å; D133-S135 PolarHBondContact OD2-OG 2.93Å; S135-N137 PolarHBondContact O-N 2.67Å
136	S	62.7	Low	65.6	Low	65 Å²	65	128 Å²	128	46%	0.455	66%	0.658	S	S	.	*			trans	-79.1	42.9	-179.2	-176.4	0	0	0	0	112.7	D133 L138	D133-S136 WeakPolarHBondContact O-CA 3.38Å; D133-S136 VanDerWaalsContact O-CB 3.27Å; D133-S136 WeakPolarHBondContact O-CB 3.33Å; D133-S136 PolarHBondContact O-N 2.87Å; S136-L138 PolarHBondContact O-N 2.89Å
137	N	65.3	Low	65.9	Low	127 Å²	127	129.2 Å²	129.2	68%	0.679	66%	0.657	S	S	*	*			trans	-59.1	132.6	165.8	-66.1	-81.5	0	0	0	109.2	E134 S135 E139	E134-N137 PolarHBondContact O-ND2 3.25Å; S135-N137 PolarHBondContact O-N 2.67Å; N137-E139 VanDerWaalsContact C-N 3.28Å; N137-E139 PolarHBondContact O-N 2.96Å
138	L	66	Low	66.3	Low	159 Å²	159	124.9 Å²	124.9	83%	0.832	66%	0.656	S	S	*	*			trans	-67.2	91.5	165.8	-94.8	67.7	0	0	0	108.5	S136 H140	S136-L138 PolarHBondContact O-N 2.89Å; L138-H140 PolarHBondContact O-N 2.75Å
139	E	70.6	Confident	66.3	Low	104 Å²	104	125.3 Å²	125.3	49%	0.486	66%	0.658	S	S	.	*			trans	-61	121	167.3	177.1	157.8	-131.5	0	0	108.4	N137 I141 R143	N137-E139 VanDerWaalsContact C-N 3.28Å; N137-E139 PolarHBondContact O-N 2.96Å; E139-I141 PolarHBondContact O-N 2.83Å; E139-I141 VanDerWaalsContact O-N 3.12Å; E139-R143 HydrophobicContact CG-CB 4.13Å; E139-R143 HydrophobicContact CG-CG 4.46Å; E139-R143 WeakPolarHBondContact OE1-CD 3.5Å; E139-R143 WeakPolarHBondContact OE1-CG 3.42Å; E139-R143 IonicContact OE1-CZ 2.77Å; E139-R143 IonicContact OE1-NE 3.94Å; E139-R143 PolarHBondContact OE1-NE 3.37Å; E139-R143 VanDerWaalsContact OE1-NE 3.08Å
140	H	68.6	Low	66.3	Low	144 Å²	144	128 Å²	128	67%	0.667	66%	0.663	S	S	*	*			trans	-55.5	122.5	173.3	-68.3	-64.9	0	0	0	109.1	L138 T142 R143	L138-H140 PolarHBondContact O-N 2.75Å; H140-T142 PolarHBondContact O-N 3.03Å; H140-R143 HydrophobicContact CB-CB 4.44Å; H140-R143 WeakPolarHBondContact O-CB 3.5Å; H140-R143 PolarHBondContact O-N 3.28Å
141	I	69.1	Low	66.4	Low	159 Å²	159	130.2 Å²	130.2	82%	0.815	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.6	-21.4	-176.4	-62.4	165.2	0	0	0	112.5	E139	E139-I141 PolarHBondContact O-N 2.83Å; E139-I141 VanDerWaalsContact O-N 3.12Å
142	T	64.6	Low	66.7	Low	101 Å²	101	131.7 Å²	131.7	62%	0.62	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-7.1	176.7	52.1	0	0	0	0	115.1	H140 R145	H140-T142 PolarHBondContact O-N 3.03Å; T142-R145 VanDerWaalsContact O-CB 3.29Å; T142-R145 WeakPolarHBondContact O-CB 3.27Å; T142-R145 PolarHBondContact O-N 2.57Å
143	R	71.2	Confident	67.3	Low	187 Å²	187	137.5 Å²	137.5	71%	0.706	68%	0.682	S	S	*	*	S	Bend	trans	-69	-38.8	-179.1	176.4	167.6	159	156	3	112.6	E139 H140	E139-R143 HydrophobicContact CG-CB 4.13Å; E139-R143 HydrophobicContact CG-CG 4.46Å; E139-R143 WeakPolarHBondContact OE1-CD 3.5Å; E139-R143 WeakPolarHBondContact OE1-CG 3.42Å; E139-R143 IonicContact OE1-CZ 2.77Å; E139-R143 IonicContact OE1-NE 3.94Å; E139-R143 PolarHBondContact OE1-NE 3.37Å; E139-R143 VanDerWaalsContact OE1-NE 3.08Å; H140-R143 HydrophobicContact CB-CB 4.44Å; H140-R143 WeakPolarHBondContact O-CB 3.5Å; H140-R143 PolarHBondContact O-N 3.28Å
144	T	66	Low	67.7	Low	102 Å²	102	138 Å²	138	63%	0.626	69%	0.691	S	S	*	*	S	Bend	trans	-85.6	-6.7	175	53.2	0	0	0	0	113.1	P146	T144-P146 WeakPolarHBondContact O-CD 3.41Å
145	R	77.6	Confident	68.3	Low	181 Å²	181	133.6 Å²	133.6	68%	0.683	68%	0.678	S	S	*	*	S	Bend	trans	-62.2	125.5	174.4	-170.6	-178.2	-171.8	-173.9	4.5	108.8	T142 Q147	T142-R145 VanDerWaalsContact O-CB 3.29Å; T142-R145 WeakPolarHBondContact O-CB 3.27Å; T142-R145 PolarHBondContact O-N 2.57Å; R145-Q147 PolarHBondContact O-N 2.87Å
146	P	68.3	Low	69.2	Low	117 Å²	117	132.2 Å²	132.2	76%	0.76	67%	0.665	S	S	*	*			trans	-53.4	118.9	176.8	-28	35.5	0	0	0	110.7	T144 G148	T144-P146 WeakPolarHBondContact O-CD 3.41Å; P146-G148 PolarHBondContact O-N 2.92Å
147	Q	69.6	Low	69.9	Low	137 Å²	137	139.8 Å²	139.8	64%	0.64	68%	0.684	S	S	*	*			trans	-68.5	99.3	178.4	-71.1	-176.4	-6.9	0	0	108.2	R145 N149	R145-Q147 PolarHBondContact O-N 2.87Å; Q147-N149 PolarHBondContact O-N 2.7Å
148	G	67.4	Low	70.5	Confident	66 Å²	66	139.5 Å²	139.5	68%	0.68	68%	0.681	S	S	*	*			trans	-49.4	136.7	179.8	0	0	0	0	0	110.8	P146 R150	P146-G148 PolarHBondContact O-N 2.92Å; G148-R150 PolarHBondContact O-N 3.36Å
149	N	62	Low	71.2	Confident	96 Å²	96	136.6 Å²	136.6	51%	0.513	66%	0.663	S	S	.	*			trans	-55	131.2	-155.6	86.6	56.4	0	0	0	113	Q147 N151 R152	Q147-N149 PolarHBondContact O-N 2.7Å; N149-N151 PolarHBondContact O-N 2.88Å; N149-N151 VanDerWaalsContact O-N 3.12Å; N149-N151 WeakPolarHBondContact OD1-CA 3.35Å; N149-N151 VanDerWaalsContact OD1-CB 3.29Å; N149-N151 WeakPolarHBondContact OD1-CB 3.44Å; N149-N151 PolarHBondContact OD1-N 2.94Å; N149-N151 VanDerWaalsContact OD1-N 3.07Å; N149-R152 PolarHBondContact O-N 3.45Å; N149-R152 PolarHBondContact OD1-N 3.28Å
150	R	63.5	Low	71.6	Confident	188 Å²	188	137.3 Å²	137.3	71%	0.709	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	5.8	179.4	-70.7	-171.3	172.8	95.3	3.3	113.4	G148 R152	G148-R150 PolarHBondContact O-N 3.36Å; R150-R152 VanDerWaalsContact C-N 3.31Å
151	N	62.2	Low	71.9	Confident	148 Å²	148	136.2 Å²	136.2	79%	0.791	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-9.7	177.3	-50	-4.9	0	0	0	110.9	N149 R153	N149-N151 PolarHBondContact O-N 2.88Å; N149-N151 VanDerWaalsContact O-N 3.12Å; N149-N151 WeakPolarHBondContact OD1-CA 3.35Å; N149-N151 VanDerWaalsContact OD1-CB 3.29Å; N149-N151 WeakPolarHBondContact OD1-CB 3.44Å; N149-N151 PolarHBondContact OD1-N 2.94Å; N149-N151 VanDerWaalsContact OD1-N 3.07Å; N151-R153 PolarHBondContact O-N 2.97Å
152	R	72.5	Confident	72	Confident	205 Å²	205	133.7 Å²	133.7	77%	0.774	65%	0.646	S	S	*	*	S	Bend	trans	-62.5	128.4	158.4	-66.2	-174.6	179.5	-114.7	-0.7	108.4	N149 R150	N149-R152 PolarHBondContact O-N 3.45Å; N149-R152 PolarHBondContact OD1-N 3.28Å; R150-R152 VanDerWaalsContact C-N 3.31Å
153	R	74	Confident	72.2	Confident	230 Å²	230	133.3 Å²	133.3	87%	0.868	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-54.3	139	174.3	-65.6	178.7	179.2	174.7	-0.7	109.1	N151	N151-R153 PolarHBondContact O-N 2.97Å
154	P	74.3	Confident	71.8	Confident	108 Å²	108	127.3 Å²	127.3	70%	0.701	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-57.7	145.7	173.7	25.8	-34.1	0	0	0	109.7	T156	P154-T156 PolarHBondContact O-N 3.45Å
155	P	78.1	Confident	71.5	Confident	86 Å²	86	127.5 Å²	127.5	56%	0.558	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-56.9	124.3	-177.6	23.6	-33.5	0	0	0	109.7	H159 M160	P155-H159 HydrophobicContact CB-CB 4Å; P155-M160 HydrophobicContact CB-CG 4.43Å; P155-M160 HydrophobicContact CG-SD 4.21Å
156	T	80.5	Confident	70.6	Confident	67 Å²	67	124.4 Å²	124.4	41%	0.411	63%	0.628	S	S	.	*	P	Polyproline II helix	trans	-69.8	165.1	178.6	76.6	0	0	0	0	110	P154 I158 H159 M160	P154-T156 PolarHBondContact O-N 3.45Å; T156-I158 PolarHBondContact O-N 3.42Å; T156-I158 PolarHBondContact OG1-N 2.91Å; T156-H159 PolarHBondContact N-ND1 3.24Å; T156-H159 PolarHBondContact O-N 2.88Å; T156-H159 PolarHBondContact OG1-CE1 3.4Å; T156-H159 PolarHBondContact OG1-ND1 3.49Å; T156-M160 PolarHBondContact O-N 2.96Å
157	R	77.5	Confident	70.1	Confident	224 Å²	224	122.6 Å²	122.6	85%	0.845	62%	0.619	S	S	*	*	H	α-helix	trans	-49.4	-29.1	175.6	-172.3	-179.4	67.6	165.8	0.7	113.6	K161	R157-K161 WeakPolarHBondContact O-CB 3.44Å; R157-K161 PolarHBondContact O-N 2.83Å; R157-K161 VanDerWaalsContact O-N 3.13Å
158	I	78	Confident	69.3	Low	121 Å²	121	119.5 Å²	119.5	62%	0.621	61%	0.612	S	S	*	*	H	α-helix	trans	-70.4	-54.9	177.4	-59.5	172.6	0	0	0	110.1	T156 M160 K161 E162	T156-I158 PolarHBondContact O-N 3.42Å; T156-I158 PolarHBondContact OG1-N 2.91Å; I158-M160 PolarHBondContact O-N 3.4Å; I158-K161 WeakPolarHBondContact O-CA 3.27Å; I158-K161 WeakPolarHBondContact O-CB 3.49Å; I158-K161 PolarHBondContact O-N 2.84Å; I158-E162 WeakPolarHBondContact O-CB 3.23Å; I158-E162 PolarHBondContact O-N 3.39Å
159	H	78.9	Confident	68.8	Low	98 Å²	98	124.2 Å²	124.2	45%	0.454	62%	0.622	S	S	.	*	H	α-helix	trans	-56.1	-37.9	175.6	-54.5	84.2	0	0	0	112.2	P155 T156 K161 V163	P155-H159 HydrophobicContact CB-CB 4Å; T156-H159 PolarHBondContact N-ND1 3.24Å; T156-H159 PolarHBondContact O-N 2.88Å; T156-H159 PolarHBondContact OG1-CE1 3.4Å; T156-H159 PolarHBondContact OG1-ND1 3.49Å; H159-K161 VanDerWaalsContact C-N 3.34Å; H159-V163 WeakPolarHBondContact O-CB 3.23Å; H159-V163 VanDerWaalsContact O-CG2 3.27Å; H159-V163 WeakPolarHBondContact O-CG2 3.3Å; H159-V163 PolarHBondContact O-N 3Å
160	M	79.8	Confident	68.6	Low	118 Å²	118	122.5 Å²	122.5	58%	0.581	63%	0.626	S	S	*	*	H	α-helix	trans	-64.8	-34.9	175	-75.5	-65.4	-54.8	0	0	113.1	P155 T156 I158 A164	P155-M160 HydrophobicContact CB-CG 4.43Å; P155-M160 HydrophobicContact CG-SD 4.21Å; T156-M160 PolarHBondContact O-N 2.96Å; I158-M160 PolarHBondContact O-N 3.4Å; M160-A164 PolarHBondContact O-N 2.74Å
161	K	74.8	Confident	68	Low	121 Å²	121	120.5 Å²	120.5	53%	0.526	63%	0.629	S	S	.	*	H	α-helix	trans	-76.3	-47.7	176.7	-177.5	-177.9	178.9	-85.1	0	110.8	R157 I158 H159 V163 A164 E165	R157-K161 WeakPolarHBondContact O-CB 3.44Å; R157-K161 PolarHBondContact O-N 2.83Å; R157-K161 VanDerWaalsContact O-N 3.13Å; I158-K161 WeakPolarHBondContact O-CA 3.27Å; I158-K161 WeakPolarHBondContact O-CB 3.49Å; I158-K161 PolarHBondContact O-N 2.84Å; H159-K161 VanDerWaalsContact C-N 3.34Å; K161-V163 PolarHBondContact O-N 3.34Å; K161-A164 WeakPolarHBondContact O-CA 3.43Å; K161-A164 WeakPolarHBondContact O-CB 3.27Å; K161-A164 PolarHBondContact O-N 3.47Å; K161-E165 VanDerWaalsContact CE-OE1 3.28Å; K161-E165 WeakPolarHBondContact CE-OE1 3.39Å; K161-E165 HydrophobicContact CG-CG 4.43Å; K161-E165 WeakPolarHBondContact CG-OE2 3.31Å; K161-E165 IonicContact NZ-OE1 2.86Å; K161-E165 PolarHBondContact NZ-OE1 3.39Å; K161-E165 IonicContact NZ-OE2 2.83Å; K161-E165 PolarHBondContact NZ-OE2 2.99Å; K161-E165 WeakPolarHBondContact O-CG 3.21Å; K161-E165 PolarHBondContact O-N 2.72Å
162	E	71.3	Confident	67.7	Low	106 Å²	106	121 Å²	121	50%	0.495	63%	0.631	S	S	.	*	H	α-helix	trans	-55.9	-46.6	176.9	-176.7	-176.3	179.8	0	0	111.9	I158 A164 E165 V166	I158-E162 WeakPolarHBondContact O-CB 3.23Å; I158-E162 PolarHBondContact O-N 3.39Å; E162-A164 VanDerWaalsContact C-N 3.29Å; E162-A164 PolarHBondContact O-N 3.49Å; E162-E165 PolarHBondContact O-N 3.47Å; E162-V166 WeakPolarHBondContact O-CB 3.42Å; E162-V166 VanDerWaalsContact O-CG2 3.3Å; E162-V166 WeakPolarHBondContact O-CG2 3.25Å; E162-V166 PolarHBondContact O-N 2.83Å
163	V	69.9	Low	66.9	Low	94 Å²	94	120.5 Å²	120.5	57%	0.57	63%	0.629	S	S	*	*	H	α-helix	trans	-64.2	-32.9	175.5	169.6	0	0	0	0	112.1	H159 K161 S167	H159-V163 WeakPolarHBondContact O-CB 3.23Å; H159-V163 VanDerWaalsContact O-CG2 3.27Å; H159-V163 WeakPolarHBondContact O-CG2 3.3Å; H159-V163 PolarHBondContact O-N 3Å; K161-V163 PolarHBondContact O-N 3.34Å; V163-S167 WeakPolarHBondContact O-CB 3.46Å; V163-S167 PolarHBondContact O-N 2.83Å; V163-S167 VanDerWaalsContact O-N 3.1Å; V163-S167 PolarHBondContact O-OG 3.14Å
164	A	62.1	Low	66	Low	60 Å²	60	116.4 Å²	116.4	50%	0.496	62%	0.624	S	S	.	*	H	α-helix	trans	-71.1	-41.9	175.5	0	0	0	0	0	112	M160 K161 E162 S167 S168	M160-A164 PolarHBondContact O-N 2.74Å; K161-A164 WeakPolarHBondContact O-CA 3.43Å; K161-A164 WeakPolarHBondContact O-CB 3.27Å; K161-A164 PolarHBondContact O-N 3.47Å; E162-A164 VanDerWaalsContact C-N 3.29Å; E162-A164 PolarHBondContact O-N 3.49Å; A164-S167 PolarHBondContact O-N 3.37Å; A164-S168 PolarHBondContact O-N 3.26Å; A164-S168 VanDerWaalsContact O-N 3.16Å
165	E	59.4	Low	65.1	Low	107 Å²	107	116.1 Å²	116.1	50%	0.5	62%	0.616	S	S	.	*	H	α-helix	trans	-70.1	-35.9	178.6	-69.6	176.9	140.7	0	0	112.3	K161 E162 S167 S168	K161-E165 VanDerWaalsContact CE-OE1 3.28Å; K161-E165 WeakPolarHBondContact CE-OE1 3.39Å; K161-E165 HydrophobicContact CG-CG 4.43Å; K161-E165 WeakPolarHBondContact CG-OE2 3.31Å; K161-E165 IonicContact NZ-OE1 2.86Å; K161-E165 PolarHBondContact NZ-OE1 3.39Å; K161-E165 IonicContact NZ-OE2 2.83Å; K161-E165 PolarHBondContact NZ-OE2 2.99Å; K161-E165 WeakPolarHBondContact O-CG 3.21Å; K161-E165 PolarHBondContact O-N 2.72Å; E162-E165 PolarHBondContact O-N 3.47Å; E165-S167 VanDerWaalsContact C-N 3.32Å; E165-S168 PolarHBondContact O-OG 2.92Å
166	V	59.7	Low	64.1	Low	116 Å²	116	119.7 Å²	119.7	70%	0.703	63%	0.63	S	S	*	*	H	α-helix	trans	-74.9	-21.2	173.1	173.9	0	0	0	0	112.2	E162	E162-V166 WeakPolarHBondContact O-CB 3.42Å; E162-V166 VanDerWaalsContact O-CG2 3.3Å; E162-V166 WeakPolarHBondContact O-CG2 3.25Å; E162-V166 PolarHBondContact O-N 2.83Å
167	S	55.8	Low	63	Low	79 Å²	79	122.3 Å²	122.3	55%	0.552	64%	0.641	S	S	*	*	H	α-helix	trans	-92.4	-8.6	178	-56.7	0	0	0	0	114.3	V163 A164 E165	V163-S167 WeakPolarHBondContact O-CB 3.46Å; V163-S167 PolarHBondContact O-N 2.83Å; V163-S167 VanDerWaalsContact O-N 3.1Å; V163-S167 PolarHBondContact O-OG 3.14Å; A164-S167 PolarHBondContact O-N 3.37Å; E165-S167 VanDerWaalsContact C-N 3.32Å
168	S	54	Low	61.6	Low	71 Å²	71	117.8 Å²	117.8	50%	0.497	63%	0.633	S	S	.	*	G	3₁₀ helix	trans	-80.8	-24.6	-177.6	45.3	0	0	0	0	114.6	A164 E165 G170	A164-S168 PolarHBondContact O-N 3.26Å; A164-S168 VanDerWaalsContact O-N 3.16Å; E165-S168 PolarHBondContact O-OG 2.92Å; S168-G170 PolarHBondContact O-N 3.39Å
169	D	56.1	Low	60.5	Low	166 Å²	166	120 Å²	120	89%	0.888	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-75.6	7.2	-173.3	-116.4	29.1	0	0	0	114.8
170	G	57.7	Low	59.2	Low	59 Å²	59	121.7 Å²	121.7	61%	0.608	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-141.5	25.5	-176.3	0	0	0	0	0	113.8	S168 L172	S168-G170 PolarHBondContact O-N 3.39Å; G170-L172 VanDerWaalsContact C-N 3.31Å; G170-L172 PolarHBondContact O-N 2.99Å
171	L	52.2	Low	57.8	Low	147 Å²	147	119.6 Å²	119.6	77%	0.77	66%	0.655	S	S	*	*			trans	-70.7	88.1	177.1	-147.3	92.5	0	0	0	110.1	R173	L171-R173 VanDerWaalsContact C-N 3.28Å; L171-R173 PolarHBondContact O-N 2.87Å
172	L	56.2	Low	56.4	Low	159 Å²	159	119.6 Å²	119.6	83%	0.832	67%	0.665	S	S	*	*			trans	-57.8	98	163.1	-74.4	176.6	0	0	0	107.7	G170 L174	G170-L172 VanDerWaalsContact C-N 3.31Å; G170-L172 PolarHBondContact O-N 2.99Å; L172-L174 PolarHBondContact O-N 3.3Å
173	R	54.6	Low	55.6	Low	194 Å²	194	121.9 Å²	121.9	73%	0.732	68%	0.678	S	S	*	*			trans	-64.6	97.3	177.9	-178	179.4	172.9	123.2	0.1	107.8	L171 D175	L171-R173 VanDerWaalsContact C-N 3.28Å; L171-R173 PolarHBondContact O-N 2.87Å; R173-D175 WeakPolarHBondContact CD-OD1 3.48Å; R173-D175 IonicContact CZ-OD1 2.75Å; R173-D175 IonicContact NE-OD1 2.64Å; R173-D175 PolarHBondContact NE-OD1 2.97Å; R173-D175 IonicContact NE-OD2 2.75Å; R173-D175 IonicContact NH2-OD1 2.59Å; R173-D175 PolarHBondContact O-N 2.9Å
174	L	55	Low	54.3	Low	144 Å²	144	122.2 Å²	122.2	75%	0.754	68%	0.682	S	S	*	*			trans	-66.6	90	167.5	-63.3	175.6	0	0	0	106.9	L172 L176	L172-L174 PolarHBondContact O-N 3.3Å; L174-L176 VanDerWaalsContact C-N 3.31Å; L174-L176 PolarHBondContact O-N 3.44Å
175	D	54.6	Low	53.1	Low	102 Å²	102	126.8 Å²	126.8	55%	0.545	70%	0.699	S	S	.	*			trans	-67.5	94.8	172.6	-81.9	-35.6	0	0	0	108.2	R173 N177	R173-D175 WeakPolarHBondContact CD-OD1 3.48Å; R173-D175 IonicContact CZ-OD1 2.75Å; R173-D175 IonicContact NE-OD1 2.64Å; R173-D175 PolarHBondContact NE-OD1 2.97Å; R173-D175 IonicContact NE-OD2 2.75Å; R173-D175 IonicContact NH2-OD1 2.59Å; R173-D175 PolarHBondContact O-N 2.9Å; D175-N177 PolarHBondContact O-N 3.12Å
176	L	57.2	Low	52.1	Low	161 Å²	161	125.5 Å²	125.5	84%	0.843	71%	0.714	S	S	*	*			trans	-80.1	15.1	175.6	-66.4	171.8	0	0	0	112.4	L174 L178	L174-L176 VanDerWaalsContact C-N 3.31Å; L174-L176 PolarHBondContact O-N 3.44Å; L176-L178 VanDerWaalsContact C-N 3.27Å; L176-L178 PolarHBondContact O-N 3.45Å; L176-L178 VanDerWaalsContact O-N 3.17Å
177	N	57.8	Low	50.9	Low	122 Å²	122	125.7 Å²	125.7	65%	0.652	72%	0.716	S	S	*	*			trans	-84.9	70.9	168.9	-80.5	94.7	0	0	0	109.8	D175	D175-N177 PolarHBondContact O-N 3.12Å
178	L	48.6	Very low	49.8	Very low	129 Å²	129	128.7 Å²	128.7	68%	0.675	73%	0.725	S	S	*	*			trans	-129.7	88	163.4	-171.7	67.5	0	0	0	108.7	L176 D180 A181	L176-L178 VanDerWaalsContact C-N 3.27Å; L176-L178 PolarHBondContact O-N 3.45Å; L176-L178 VanDerWaalsContact O-N 3.17Å; L178-D180 PolarHBondContact O-N 3.29Å; L178-A181 PolarHBondContact O-N 3.32Å
179	E	55.6	Low	48.8	Very low	167 Å²	167	131.1 Å²	131.1	78%	0.78	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	4.5	-178.7	-95.7	68.4	-173.8	0	0	116.5
180	D	51.8	Low	47.5	Very low	134 Å²	134	127.2 Å²	127.2	72%	0.717	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	18.2	179.4	-148.3	4.3	0	0	0	113.6	L178 V182	L178-D180 PolarHBondContact O-N 3.29Å; D180-V182 VanDerWaalsContact C-N 3.3Å; D180-V182 PolarHBondContact O-N 2.99Å
181	A	48.8	Very low	46.2	Very low	74 Å²	74	133.9 Å²	133.9	61%	0.612	74%	0.741	S	S	*	*			trans	-74.3	76	174	0	0	0	0	0	112.1	L178 I183	L178-A181 PolarHBondContact O-N 3.32Å; A181-I183 PolarHBondContact O-N 3.46Å
182	V	45.5	Very low	45.2	Very low	121 Å²	121	132.9 Å²	132.9	73%	0.733	74%	0.74	S	S	*	*			trans	-65	97	177.8	-179.1	0	0	0	0	111.4	D180 P184	D180-V182 VanDerWaalsContact C-N 3.3Å; D180-V182 PolarHBondContact O-N 2.99Å; V182-P184 WeakPolarHBondContact O-CD 3.34Å
183	I	54.8	Low	44	Very low	153 Å²	153	131.8 Å²	131.8	79%	0.785	74%	0.736	S	S	*	*			trans	-84	116.3	173	-56.5	178.1	0	0	0	109.7	A181 N185	A181-I183 PolarHBondContact O-N 3.46Å; I183-N185 PolarHBondContact O-N 2.89Å
184	P	41.8	Very low	43	Very low	101 Å²	101	128.1 Å²	128.1	66%	0.656	74%	0.739	S	S	*	*			trans	-79.4	121.5	-179.4	30.4	-33.6	0	0	0	112.8	V182	V182-P184 WeakPolarHBondContact O-CD 3.34Å
185	N	38.7	Very low	41.9	Very low	157 Å²	157	127.4 Å²	127.4	84%	0.84	74%	0.741	S	S	*	*			trans	72.4	109.5	161.7	-54.4	-45.2	0	0	0	118.3	I183	I183-N185 PolarHBondContact O-N 2.89Å
186	G	37.4	Very low	40.9	Very low	79 Å²	79	131.5 Å²	131.5	81%	0.814	76%	0.757	S	S	*	*			trans	-163.1	39.2	172.9	0	0	0	0	0	113.3	N188	G186-N188 PolarHBondContact O-N 3.22Å
187	T	35.3	Very low	39.7	Very low	121 Å²	121	128.9 Å²	128.9	74%	0.742	75%	0.752	S	S	*	*			trans	-65	126.2	-167.2	-49.4	0	0	0	0	114.5
188	N	32.6	Very low	38.8	Very low	141 Å²	141	128.6 Å²	128.6	75%	0.754	76%	0.757	S	S	*	*			trans	167.5	139.3	142.4	-83.2	-33	0	0	0	108.5	G186	G186-N188 PolarHBondContact O-N 3.22Å
189	T	31.9	Very low	37.9	Very low	123 Å²	123	131.4 Å²	131.4	76%	0.755	77%	0.767	S	S	*	*			cis	-158.8	147	3.1	5.8	0	0	0	0	111.6
190	A	29.7	Very low	36.6	Very low	84 Å²	84	129.5 Å²	129.5	69%	0.694	77%	0.767	S	S	*	*			trans	53.7	122.9	142.5	0	0	0	0	0	122.8
191	K	30.2	Very low	35.5	Very low	199 Å²	199	127.5 Å²	127.5	87%	0.865	77%	0.769	S	S	*	*			trans	68.3	151.6	149.8	-68.7	-173.4	174	-173.9	0	117.3
192	T	31.6	Very low	34.7	Very low	125 Å²	125	130.8 Å²	130.8	77%	0.767	78%	0.781	S	S	*	*			cis	-138.4	159.4	2	-21.1	0	0	0	0	110.7
193	D	30	Very low	34	Very low	137 Å²	137	129 Å²	129	73%	0.733	78%	0.779	S	S	*	*			trans	-59.7	134.7	165.1	175.1	24.2	0	0	0	112.2
194	S	34.6	Very low	32.8	Very low	116 Å²	116	128.5 Å²	128.5	81%	0.811	77%	0.773	S	S	*	*			trans	-172.3	103.8	154.6	-72.6	0	0	0	0	110.4
195	T	31	Very low	32.2	Very low	129 Å²	129	131.4 Å²	131.4	79%	0.791	78%	0.775	S	S	*	*			trans	-61.4	138.9	165.5	-62.7	0	0	0	0	111.9
196	E	33.7	Very low	31.7	Very low	189 Å²	189	133.5 Å²	133.5	88%	0.883	78%	0.78	S	S	*	*				178.1	159	119.5	-167.3	149.8	-159.8	0	0	112
197	S	32	Very low	31.3	Very low	105 Å²	105	134.3 Å²	134.3	73%	0.734	77%	0.774	S	S	*	*			trans	-106.6	156.3	-178.1	-151.4	0	0	0	0	110.6
198	P	39.9	Very low	30.9	Very low	117 Å²	117	135 Å²	135	76%	0.76	78%	0.777	S	S	*	*			trans	-90.5	145.8	-167.7	34.6	-34.1	0	0	0	114.4
199	E	29.5	Very low	30.6	Very low	188 Å²	188	136.1 Å²	136.1	88%	0.879	78%	0.782	S	S	*	*			trans	-106.9	117.3	162	-75.7	-158.8	133.7	0	0	112.6
200	T	28.2	Very low	30.5	Very low	127 Å²	127	140.8 Å²	140.8	78%	0.779	79%	0.786	S	S	*	*			trans	8.5	133.3	145.3	57.2	0	0	0	0	120.4
201	A	29.2	Very low	30.2	Very low	91 Å²	91	142.7 Å²	142.7	75%	0.752	79%	0.789	S	S	*	*				-173.7	121.1	103.4	0	0	0	0	0	115.1
202	V	30.9	Very low	30.2	Very low	144 Å²	144	139.9 Å²	139.9	87%	0.873	78%	0.784	S	S	*	*			trans	61.5	122.2	134.4	-177.9	0	0	0	0	120.4
203	A	30.2	Very low	30.3	Very low	83 Å²	83	140.3 Å²	140.3	69%	0.686	78%	0.777	S	S	*	*			trans	-86.2	170	165.5	0	0	0	0	0	110.9
204	E	30.1	Very low	30.4	Very low	143 Å²	143	141.9 Å²	141.9	67%	0.668	78%	0.78	S	S	*	*				-168.9	158.7	61.6	-81.8	-158.2	123.8	0	0	114.4
205	K	29.2	Very low	30.4	Very low	162 Å²	162	142.4 Å²	142.4	70%	0.704	77%	0.767	S	S	*	*			trans	50.2	115.6	144.6	-65.7	161.2	-173.3	152.9	0	119.8
206	Q	28.9	Very low	30.5	Very low	200 Å²	200	145.7 Å²	145.7	94%	0.935	77%	0.771	S	S	*	*				-150.8	173.9	107.8	-125.4	177.6	-26	0	0	112.5
207	S	27.8	Very low	30.4	Very low	97 Å²	97	141.5 Å²	141.5	68%	0.678	77%	0.768	S	S	*	*			trans	-132.4	140.7	-150.5	56.5	0	0	0	0	115.2
208	V	28.3	Very low	30.8	Very low	134 Å²	134	144 Å²	144	81%	0.812	77%	0.772	S	S	*	*			trans	59.6	113.4	147.7	179.1	0	0	0	0	118.4
209	L	25.9	Very low	30.6	Very low	166 Å²	166	147.2 Å²	147.2	87%	0.869	77%	0.774	S	S	*	*				-151.2	162.8	120.7	-158.1	53.4	0	0	0	111.1
210	R	29.8	Very low	31	Very low	220 Å²	220	144.1 Å²	144.1	83%	0.83	77%	0.77	S	S	*	*			trans	-82.9	171.4	174.2	-64.2	-171.9	-179.1	178.9	1.3	109.7
211	T	24.3	Very low	31.7	Very low	124 Å²	124	144 Å²	144	76%	0.761	77%	0.771	S	S	*	*				-163.1	170.3	51.3	-52	0	0	0	0	112.1
212	D	30.2	Very low	32	Very low	140 Å²	140	147.9 Å²	147.9	75%	0.749	78%	0.776	S	S	*	*			trans	-53.9	174.4	178.5	-42.2	-95.2	0	0	0	114.8
213	E	32.3	Very low	32.7	Very low	134 Å²	134	146.5 Å²	146.5	63%	0.626	77%	0.77	S	S	*	*			cis	-158.3	157.3	9.6	-154.9	-166.8	-153.4	0	0	109.6	K215	E213-K215 IonicContact OE1-NZ 3.03Å; E213-K215 PolarHBondContact OE1-NZ 2.94Å; E213-K215 IonicContact OE2-NZ 2.57Å; E213-K215 PolarHBondContact OE2-NZ 3.43Å
214	E	33.1	Very low	33.7	Very low	170 Å²	170	148.7 Å²	148.7	79%	0.794	78%	0.778	S	S	*	*			trans	-179.1	166.9	132.4	-100.4	-108.4	71.7	0	0	113.2
215	K	33.4	Very low	34	Very low	127 Å²	127	148.2 Å²	148.2	55%	0.552	78%	0.784	S	S	*	*			trans	-128.5	139.1	-165.4	-49.5	172.1	-176	74.3	0	111.6	E213	E213-K215 IonicContact OE1-NZ 3.03Å; E213-K215 PolarHBondContact OE1-NZ 2.94Å; E213-K215 IonicContact OE2-NZ 2.57Å; E213-K215 PolarHBondContact OE2-NZ 3.43Å
216	K	34.1	Very low	34.5	Very low	198 Å²	198	148.1 Å²	148.1	86%	0.861	78%	0.784	S	S	*	*				177	154.6	118.6	-96.7	152	-169.1	156.3	0	115.9
217	A	31.4	Very low	34.9	Very low	101 Å²	101	145.8 Å²	145.8	84%	0.835	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-68.6	142.2	178.5	0	0	0	0	0	113.7
218	I	39.6	Very low	35.2	Very low	159 Å²	159	145.5 Å²	145.5	82%	0.815	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-100.1	130.4	167	-63.8	172.6	0	0	0	108.1
219	K	36.4	Very low	35.4	Very low	184 Å²	184	149 Å²	149	80%	0.8	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-85.8	144.1	165.7	-66.8	-178.8	179	-179.5	0	108.8	P221	K219-P221 WeakPolarHBondContact O-CD 3.34Å
220	P	37.4	Very low	35.6	Very low	123 Å²	123	146.7 Å²	146.7	80%	0.799	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-62.9	127.3	174	26.7	-33.7	0	0	0	110.3
221	P	43.5	Very low	35.4	Very low	123 Å²	123	141.3 Å²	141.3	80%	0.799	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-79.8	139.8	178	31.1	-33.4	0	0	0	111.9	K219	K219-P221 WeakPolarHBondContact O-CD 3.34Å
222	M	35.8	Very low	35.6	Very low	173 Å²	173	141.6 Å²	141.6	85%	0.852	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-78.6	154.7	165.3	-95.1	165.4	49.5	0	0	111
223	P	45.9	Very low	35.5	Very low	115 Å²	115	141 Å²	141	75%	0.747	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-75.2	140.7	178.9	31.2	-34.9	0	0	0	112.3
224	P	51.3	Low	36.1	Very low	130 Å²	130	139.7 Å²	139.7	84%	0.844	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-85.2	157.9	175.6	34.3	-34.9	0	0	0	113.2
225	T	36.1	Very low	35.9	Very low	132 Å²	132	139 Å²	139	81%	0.81	78%	0.777	S	S	*	*			trans	-117.9	149.5	-179.1	46.7	0	0	0	0	113.2
226	K	38.7	Very low	35.6	Very low	161 Å²	161	139.8 Å²	139.8	70%	0.7	79%	0.787	S	S	*	*			trans	63.7	122.8	156.2	-84	-173.6	164.5	-74.5	0	122.1
227	E	38	Very low	35.5	Very low	151 Å²	151	136.6 Å²	136.6	71%	0.706	78%	0.775	S	S	*	*				46.4	120.9	123.4	-64.9	158.8	-145.8	0	0	122.2
228	A	33.3	Very low	35.8	Very low	90 Å²	90	137.8 Å²	137.8	74%	0.744	78%	0.775	S	S	*	*				151.8	134.9	102	0	0	0	0	0	116.5
229	K	32.6	Very low	35.5	Very low	207 Å²	207	136.1 Å²	136.1	90%	0.9	77%	0.767	S	S	*	*			trans	43.8	148.3	135.9	-77.9	177.4	-179.3	179.1	0	121.6
230	S	29.8	Very low	35.4	Very low	118 Å²	118	135 Å²	135	83%	0.825	76%	0.763	S	S	*	*			cis	-169.3	-160.3	2.4	-165.1	0	0	0	0	111.4
231	S	27	Very low	34.9	Very low	107 Å²	107	135.5 Å²	135.5	75%	0.748	75%	0.754	S	S	*	*			trans	96.1	146.3	171.5	-129.7	0	0	0	0	115.8
232	V	27.6	Very low	34.4	Very low	130 Å²	130	135.1 Å²	135.1	79%	0.788	75%	0.746	S	S	*	*			cis	-137.7	165.2	15.1	-178.6	0	0	0	0	111
233	V	28	Very low	34.5	Very low	127 Å²	127	135.1 Å²	135.1	77%	0.77	74%	0.744	S	S	*	*			trans	-150	155.9	-178.3	158.5	0	0	0	0	107.8
234	P	46	Very low	34.1	Very low	108 Å²	108	138.1 Å²	138.1	70%	0.701	75%	0.747	S	S	*	*			cis	-120	-133.1	14.9	26.2	1.4	0	0	0	113.2
235	E	28.7	Very low	33.4	Very low	156 Å²	156	138.4 Å²	138.4	73%	0.729	74%	0.738	S	S	*	*			cis	-168.3	164.6	9.4	-150.3	-171.6	87.5	0	0	115.8
236	N	26.8	Very low	33.3	Very low	143 Å²	143	139.7 Å²	139.7	77%	0.765	73%	0.732	S	S	*	*			trans	79.3	153.8	151.6	-119.6	-49.6	0	0	0	123.1
237	E	31	Very low	33	Very low	130 Å²	130	137.5 Å²	137.5	61%	0.607	73%	0.732	S	S	*	*			trans	-126.1	172	-165.9	-140	-154.7	143	0	0	111.3	N239	E237-N239 WeakPolarHBondContact OE1-CA 3.39Å; E237-N239 VanDerWaalsContact OE1-CB 3.23Å; E237-N239 WeakPolarHBondContact OE1-CB 3.39Å; E237-N239 PolarHBondContact OE1-N 3.03Å; E237-N239 PolarHBondContact OE1-ND2 3.38Å
238	P	39.2	Very low	32.8	Very low	126 Å²	126	137.8 Å²	137.8	82%	0.818	74%	0.735	S	S	*	*				-145.3	150.6	67.7	35.6	-14.6	0	0	0	118.5
239	N	32	Very low	33	Very low	124 Å²	124	142.4 Å²	142.4	66%	0.663	74%	0.738	S	S	*	*			trans	-34.7	157.9	167.7	-123.4	-107.4	0	0	0	116.5	E237	E237-N239 WeakPolarHBondContact OE1-CA 3.39Å; E237-N239 VanDerWaalsContact OE1-CB 3.23Å; E237-N239 WeakPolarHBondContact OE1-CB 3.39Å; E237-N239 PolarHBondContact OE1-N 3.03Å; E237-N239 PolarHBondContact OE1-ND2 3.38Å
240	K	33.9	Very low	33.4	Very low	162 Å²	162	138.1 Å²	138.1	70%	0.704	73%	0.731	S	S	*	*			cis	-140.9	-136.9	27.3	-42.2	165.6	-172.9	168.3	0	112.3
241	Q	28.2	Very low	34	Very low	132 Å²	132	138.7 Å²	138.7	62%	0.617	73%	0.732	S	S	*	*			cis	-155	176.8	5.6	-141.8	172.2	-109.4	0	0	112.2
242	D	32.5	Very low	34.2	Very low	116 Å²	116	142.2 Å²	142.2	62%	0.62	74%	0.739	S	S	*	*			trans	5.2	140.3	164.3	-44.9	-28.2	0	0	0	120.1
243	E	37.1	Very low	35	Very low	173 Å²	173	140.9 Å²	140.9	81%	0.808	73%	0.734	S	S	*	*			cis	-160.5	154	2.1	-117.1	171.4	-167.1	0	0	112.4
244	E	38	Very low	36	Very low	177 Å²	177	140.9 Å²	140.9	83%	0.827	74%	0.736	S	S	*	*			trans	42.5	137.4	158.3	-51	-150.5	136.7	0	0	129
245	E	36.1	Very low	35.6	Very low	137 Å²	137	141 Å²	141	64%	0.64	74%	0.739	S	S	*	*			trans	49.3	109.5	143.5	-68.3	-87.9	95.1	0	0	126.7
246	K	35.7	Very low	36.2	Very low	158 Å²	158	143.2 Å²	143.2	69%	0.687	75%	0.746	S	S	*	*				58.8	120.8	119.2	-76.2	-162	-163.9	107.6	0	126.6
247	V	31.1	Very low	36.7	Very low	116 Å²	116	145.1 Å²	145.1	70%	0.703	75%	0.751	S	S	*	*				91.5	117.1	116.7	170.1	0	0	0	0	124
248	M	33.8	Very low	37	Very low	156 Å²	156	143.9 Å²	143.9	77%	0.768	76%	0.757	S	S	*	*			trans	71.6	118.6	145.7	-79.3	-173.6	-155.8	0	0	126.2
249	K	37.5	Very low	36.7	Very low	188 Å²	188	147.3 Å²	147.3	82%	0.817	76%	0.758	S	S	*	*			trans	75.6	152.1	133.8	-73.6	-176.1	177.1	-179.6	0	121
250	P	41.8	Very low	37	Very low	116 Å²	116	147.3 Å²	147.3	75%	0.753	77%	0.765	S	S	*	*			trans	-102.3	163.2	-164.1	40.3	-36.1	0	0	0	115.7
251	P	42.4	Very low	36.6	Very low	130 Å²	130	144.7 Å²	144.7	84%	0.844	77%	0.767	S	S	*	*			trans	-96.1	174.4	-174.9	38.5	-37.4	0	0	0	116.1
252	M	30.3	Very low	36.5	Very low	181 Å²	181	144.7 Å²	144.7	89%	0.892	78%	0.776	S	S	*	*			trans	-111.6	175.7	176.7	-114.3	179.6	63.9	0	0	111.6
253	P	44.6	Very low	36.2	Very low	103 Å²	103	145.2 Å²	145.2	67%	0.669	78%	0.784	S	S	*	*			trans	-82.4	163.9	-161.5	33.3	-38.1	0	0	0	116.5
254	P	50.6	Low	36.8	Very low	126 Å²	126	143.2 Å²	143.2	82%	0.818	79%	0.786	S	S	*	*			trans	-84.1	177.6	-178.1	35.7	-38.1	0	0	0	114.8
255	S	36.3	Very low	36.2	Very low	110 Å²	110	138.4 Å²	138.4	77%	0.769	78%	0.784	S	S	*	*			trans	-157.7	160.2	176.7	-69.4	0	0	0	0	112.4
256	K	42.3	Very low	36	Very low	203 Å²	203	140.1 Å²	140.1	88%	0.883	79%	0.792	S	S	*	*			trans	88.3	158.2	164.6	-56.8	179.7	178.9	175.9	0	119.9
257	E	36.8	Very low	35.7	Very low	184 Å²	184	138.4 Å²	138.4	86%	0.86	79%	0.794	S	S	*	*			trans	110.5	151.1	160.5	-63.1	-161.6	124.1	0	0	116.9
258	S	36.2	Very low	35.8	Very low	104 Å²	104	138.8 Å²	138.8	73%	0.727	79%	0.791	S	S	*	*			cis	-162.6	167.4	-45.8	50.8	0	0	0	0	110.7
259	K	34.4	Very low	35.9	Very low	197 Å²	197	138.2 Å²	138.2	86%	0.857	79%	0.79	S	S	*	*			trans	-73	159	177.9	-59.5	-177	175.6	-178.6	0	112.7
260	P	38.5	Very low	35.8	Very low	124 Å²	124	136.5 Å²	136.5	81%	0.805	79%	0.785	S	S	*	*				-155.8	-174.3	90.8	41.4	-21.8	0	0	0	117.2
261	S	24.5	Very low	35.3	Very low	107 Å²	107	137.1 Å²	137.1	75%	0.748	78%	0.782	S	S	*	*			trans	69.8	130.6	170	-152.6	0	0	0	0	116.9
262	V	25.4	Very low	35	Very low	132 Å²	132	138.4 Å²	138.4	80%	0.8	78%	0.777	S	S	*	*			cis	95.2	131.5	30.1	-179	0	0	0	0	114.2
263	T	27.1	Very low	35	Very low	128 Å²	128	135.8 Å²	135.8	79%	0.785	77%	0.767	S	S	*	*			trans	-100.4	-171.2	-164.3	53.4	0	0	0	0	113.3
264	P	49.9	Very low	34.5	Very low	130 Å²	130	136.8 Å²	136.8	84%	0.844	77%	0.771	S	S	*	*			cis	-131.4	-177.6	-9.3	33.6	-12.8	0	0	0	115.4
265	G	25.6	Very low	33.7	Very low	76 Å²	76	137.6 Å²	137.6	78%	0.784	77%	0.768	S	S	*	*			trans	-174.9	137	164.5	0	0	0	0	0	113.8
266	E	32.3	Very low	33.7	Very low	174 Å²	174	137.3 Å²	137.3	81%	0.813	76%	0.758	S	S	*	*			trans	-41.5	162.3	-176.9	-76.3	172.9	81.7	0	0	118.4
267	V	28.8	Very low	33.3	Very low	121 Å²	121	135.4 Å²	135.4	73%	0.733	75%	0.75	S	S	*	*			cis	-151.8	123.4	49.6	170	0	0	0	0	114.4
268	I	33.3	Very low	33	Very low	125 Å²	125	136.1 Å²	136.1	64%	0.641	75%	0.75	S	S	*	*			trans	39.1	116.8	139.6	-43.7	171.2	0	0	0	121
269	L	35.5	Very low	32.7	Very low	143 Å²	143	135.6 Å²	135.6	75%	0.749	75%	0.747	S	S	*	*				-179.4	109.6	112.2	-95.2	177.9	0	0	0	112.9
270	Q	34.7	Very low	32.4	Very low	152 Å²	152	131.4 Å²	131.4	71%	0.71	74%	0.738	S	S	*	*			trans	31.8	144.4	132.3	-55.3	-167.1	-71.9	0	0	121.8
271	D	32.6	Very low	31.9	Very low	130 Å²	130	132.4 Å²	132.4	70%	0.695	74%	0.736	S	S	*	*			cis	-175.4	168.4	-7.4	-95.3	-24.9	0	0	0	106.1
272	E	34.8	Very low	33.2	Very low	156 Å²	156	133.1 Å²	133.1	73%	0.729	74%	0.738	S	S	*	*			cis	-163.4	140.6	-2.5	148.8	170.8	-156.3	0	0	109.7
273	N	31.3	Very low	34.5	Very low	127 Å²	127	132.2 Å²	132.2	68%	0.679	74%	0.735	S	S	*	*			trans	47.6	173	151.2	-68	-24.1	0	0	0	123.1
274	T	34.2	Very low	35.4	Very low	124 Å²	124	132.2 Å²	132.2	76%	0.761	74%	0.737	S	S	*	*			cis	-170.3	170.4	-33.2	40.3	0	0	0	0	108
275	D	32.7	Very low	34.8	Very low	143 Å²	143	132.4 Å²	132.4	77%	0.765	74%	0.736	S	S	*	*			cis	-175	167.8	-41.3	-171.2	27.9	0	0	0	109.5
276	D	36.3	Very low	36.5	Very low	104 Å²	104	134.1 Å²	134.1	56%	0.556	73%	0.733	S	S	*	*			trans	72.7	141.7	155.6	-134.3	16.5	0	0	0	124.6
277	K	35.3	Very low	37.5	Very low	163 Å²	163	131.1 Å²	131.1	71%	0.709	73%	0.729	S	S	*	*			trans	13.5	129	155.9	-72	165.8	-157.7	82.4	0	123.9
278	K	30.7	Very low	37.9	Very low	198 Å²	198	132.5 Å²	132.5	86%	0.861	73%	0.732	S	S	*	*				73.7	136.5	122.8	-166.4	-166.5	176.6	-173.8	0	121.1
279	S	28.5	Very low	38.4	Very low	94 Å²	94	133.8 Å²	133.8	66%	0.657	73%	0.733	S	S	*	*			trans	112.1	106.5	144.2	-152.8	0	0	0	0	120.4
280	T	27.4	Very low	39.2	Very low	109 Å²	109	132.8 Å²	132.8	67%	0.669	74%	0.735	S	S	*	*				66.6	100.9	125.4	-44.3	0	0	0	0	122.8
281	N	29.5	Very low	39.2	Very low	145 Å²	145	129.5 Å²	129.5	78%	0.775	73%	0.73	S	S	*	*			trans	60.3	158.1	135.1	-60.1	-9.2	0	0	0	122.8
282	P	50.3	Low	39.4	Very low	122 Å²	122	129.2 Å²	129.2	79%	0.792	74%	0.737	S	S	*	*			cis	-132.3	-129.4	-36.2	41.8	-20.6	0	0	0	114.2
283	P	53.3	Low	39.5	Very low	113 Å²	113	127.3 Å²	127.3	73%	0.734	74%	0.741	S	S	*	*			trans	-106.4	172.7	-145.1	47.1	-33.3	0	0	0	115.9
284	P	47.1	Very low	39.3	Very low	128 Å²	128	124.6 Å²	124.6	83%	0.831	74%	0.743	S	S	*	*				-157.1	-165.5	69.7	43.1	-19.2	0	0	0	118.5
285	T	36.6	Very low	39.1	Very low	133 Å²	133	124.9 Å²	124.9	82%	0.816	75%	0.751	S	S	*	*			trans	-97.7	-174.8	179.2	16	0	0	0	0	114.3
286	P	60.7	Low	39.3	Very low	112 Å²	112	126.4 Å²	126.4	73%	0.727	76%	0.758	S	S	*	*			cis	-117.2	-110.5	10.8	25.1	1.9	0	0	0	116.6
287	P	53.3	Low	39.1	Very low	111 Å²	111	126.6 Å²	126.6	72%	0.721	77%	0.767	S	S	*	*			cis	-128.2	-97.8	24.6	38.2	-15.7	0	0	0	118.1
288	N	37.6	Very low	39.2	Very low	150 Å²	150	126.2 Å²	126.2	80%	0.802	77%	0.773	S	S	*	*			trans	-168.7	175	-160.1	-88.8	-51.2	0	0	0	110.4
289	K	43.3	Very low	40	Very low	152 Å²	152	122.4 Å²	122.4	66%	0.661	77%	0.769	S	S	*	*			cis	173.3	154.8	-24	-164.5	-147.7	177.9	-167	0	107.3	S291	K289-S291 WeakPolarHBondContact CE-OG 3.45Å; K289-S291 PolarHBondContact NZ-OG 3.26Å
290	P	52.5	Low	40.2	Very low	122 Å²	122	123.8 Å²	123.8	79%	0.792	77%	0.773	S	S	*	*				-153.1	177.9	99	36	-16.3	0	0	0	113.5
291	S	36.2	Very low	40.7	Very low	84 Å²	84	127.1 Å²	127.1	59%	0.587	78%	0.781	S	S	*	*			cis	163	128.3	-29.4	-82.9	0	0	0	0	107.6	K289	K289-S291 WeakPolarHBondContact CE-OG 3.45Å; K289-S291 PolarHBondContact NZ-OG 3.26Å
292	S	36.2	Very low	40.8	Very low	123 Å²	123	126.6 Å²	126.6	86%	0.86	78%	0.782	S	S	*	*			trans	-162.9	171.5	149	-154	0	0	0	0	112.9
293	S	35.6	Very low	39.9	Very low	116 Å²	116	128.2 Å²	128.2	81%	0.811	78%	0.784	S	S	*	*			trans	-61.8	162.9	-167.2	47.5	0	0	0	0	118.1
294	G	28.3	Very low	39.6	Very low	70 Å²	70	128.5 Å²	128.5	72%	0.722	79%	0.785	S	S	*	*			cis	166	-164.3	-3.9	0	0	0	0	0	115.4
295	S	29.9	Very low	38.7	Very low	131 Å²	131	126.8 Å²	126.8	92%	0.916	78%	0.782	S	S	*	*			trans	85.1	151.8	175	-66.5	0	0	0	0	120.4
296	L	35.8	Very low	38.4	Very low	174 Å²	174	126 Å²	126	91%	0.911	78%	0.782	S	S	*	*			trans	-111.5	-178.8	-170.9	-59.4	152	0	0	0	109.7
297	S	32	Very low	37.9	Very low	109 Å²	109	125.8 Å²	125.8	76%	0.762	78%	0.781	S	S	*	*			cis	-160.3	165.3	19.4	52.5	0	0	0	0	113.3
298	N	39.2	Very low	36.8	Very low	155 Å²	155	126.2 Å²	126.2	83%	0.829	78%	0.777	S	S	*	*			trans	-76	167.9	176.2	-45.3	-35.8	0	0	0	112.5
299	P	47.2	Very low	36.7	Very low	118 Å²	118	126.9 Å²	126.9	77%	0.766	78%	0.775	S	S	*	*				-153.8	163.8	73	41.7	-21.5	0	0	0	119.5
300	V	32.5	Very low	36.5	Very low	123 Å²	123	128.3 Å²	128.3	75%	0.745	78%	0.784	S	S	*	*			trans	37.3	109.1	138.2	-176.1	0	0	0	0	122
301	E	37	Very low	36.2	Very low	179 Å²	179	127.2 Å²	127.2	84%	0.836	78%	0.777	S	S	*	*				56.2	159.2	120.7	-146.5	174.6	178.3	0	0	124.2
302	V	31.3	Very low	36.2	Very low	133 Å²	133	129.1 Å²	129.1	81%	0.806	79%	0.787	S	S	*	*			trans	101	131.9	161	-174.6	0	0	0	0	118.5
303	L	33.1	Very low	36.2	Very low	157 Å²	157	129.3 Å²	129.3	82%	0.822	78%	0.783	S	S	*	*			trans	-89.3	164.4	174.5	-78.1	170.6	0	0	0	111
304	P	45.9	Very low	36.5	Very low	118 Å²	118	129.1 Å²	129.1	77%	0.766	78%	0.779	S	S	*	*			cis	-152.8	-170.5	36.9	43.3	-21.1	0	0	0	118.7
305	A	28	Very low	37.1	Very low	93 Å²	93	131.8 Å²	131.8	77%	0.769	78%	0.783	S	S	*	*			trans	82.9	105.9	150.6	0	0	0	0	0	122.1
306	S	31.3	Very low	37.3	Very low	117 Å²	117	131.4 Å²	131.4	82%	0.818	78%	0.781	S	S	*	*			trans	-3.9	166.5	140.6	-70.2	0	0	0	0	122.7
307	P	49.4	Very low	37.7	Very low	106 Å²	106	132.8 Å²	132.8	69%	0.688	78%	0.78	S	S	*	*			cis	-126.1	-169.6	-13.8	32.2	-9.4	0	0	0	111.4
308	N	31.2	Very low	38	Very low	120 Å²	120	134.2 Å²	134.2	64%	0.642	78%	0.779	S	S	*	*			cis	-173.9	158.8	41.3	-138	-16.3	0	0	0	114.8
309	H	34.8	Very low	38	Very low	164 Å²	164	135.2 Å²	135.2	76%	0.759	78%	0.776	S	S	*	*			trans	74.6	137.6	162.4	-54.7	-45.4	0	0	0	122.2
310	H	38.3	Very low	37.2	Very low	183 Å²	183	139.4 Å²	139.4	85%	0.847	78%	0.782	S	S	*	*			trans	-130.5	-172.5	-165.5	-97.4	-101	0	0	0	109.1
311	P	47.9	Very low	37.4	Very low	99 Å²	99	138.1 Å²	138.1	64%	0.643	78%	0.776	S	S	*	*			cis	-129.4	-159.8	-40.2	35.5	-14.8	0	0	0	110.8
312	P	35.6	Very low	37.1	Very low	123 Å²	123	134.8 Å²	134.8	80%	0.799	77%	0.773	S	S	*	*				-141.7	153	83.8	38.2	-22.9	0	0	0	115.8
313	T	35.5	Very low	37.1	Very low	127 Å²	127	136.9 Å²	136.9	78%	0.779	77%	0.773	S	S	*	*			trans	-152.7	140.6	170.6	-45.9	0	0	0	0	108.9
314	P	41.8	Very low	36.9	Very low	112 Å²	112	138 Å²	138	73%	0.727	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-83.2	161.3	-176.5	33.6	-36.8	0	0	0	113.7
315	P	41	Very low	36	Very low	126 Å²	126	138.6 Å²	138.6	82%	0.818	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-85.5	144	180	33.7	-34.7	0	0	0	114.1
316	S	34.9	Very low	36.2	Very low	123 Å²	123	140.8 Å²	140.8	86%	0.86	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-93	171.2	165.6	-71.2	0	0	0	0	111.8
317	K	43.3	Very low	36.5	Very low	204 Å²	204	142 Å²	142	89%	0.887	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-74.6	146.4	176	-57.3	176.6	-179.9	178.1	0	112.2
318	D	39.6	Very low	35.9	Very low	139 Å²	139	142.9 Å²	142.9	74%	0.743	78%	0.78	S	S	*	*			trans	-157.6	-171.7	146.1	-121.2	-36.3	0	0	0	113.4
319	K	38.5	Very low	35.7	Very low	176 Å²	176	142.1 Å²	142.1	77%	0.765	78%	0.776	S	S	*	*			trans	-121.8	138.8	-146	-51.9	163.2	-167.6	89.1	0	117.4
320	K	29.3	Very low	35.7	Very low	205 Å²	205	141.7 Å²	141.7	89%	0.891	77%	0.774	S	S	*	*			trans	61.8	175.4	154.5	-111.6	-169.7	170.1	-178.8	0	117
321	P	37.7	Very low	35.3	Very low	97 Å²	97	140 Å²	140	63%	0.63	77%	0.766	S	S	*	*			cis	-135.7	173.2	-13.2	41	-24.3	0	0	0	117.6
322	S	30.9	Very low	34.4	Very low	109 Å²	109	139.6 Å²	139.6	76%	0.762	76%	0.762	S	S	*	*			trans	68.3	154	151.4	-63.9	0	0	0	0	119.3
323	Q	30.4	Very low	34.1	Very low	176 Å²	176	141.2 Å²	141.2	82%	0.822	76%	0.759	S	S	*	*			cis	-157.7	-175	-10.1	-135.5	-179.3	-20.1	0	0	111.3
324	M	28.9	Very low	33.8	Very low	180 Å²	180	140.8 Å²	140.8	89%	0.887	75%	0.752	S	S	*	*			trans	84.2	115.8	178.9	-58.4	-170.5	175.9	0	0	115
325	V	26.8	Very low	33.3	Very low	131 Å²	131	141.4 Å²	141.4	79%	0.794	75%	0.754	S	S	*	*			cis	96.4	97.5	45.2	169.6	0	0	0	0	112.3
326	V	34.1	Very low	32.8	Very low	139 Å²	139	139.7 Å²	139.7	84%	0.842	75%	0.75	S	S	*	*				-172.3	156.6	122.9	149.7	0	0	0	0	108.3
327	E	36.4	Very low	32.6	Very low	143 Å²	143	139.2 Å²	139.2	67%	0.668	74%	0.742	S	S	*	*			trans	-70.5	162.7	-175.4	-126.4	-169.1	103.7	0	0	114.5	N329	E327-N329 WeakPolarHBondContact OE1-CA 3.43Å; E327-N329 WeakPolarHBondContact OE1-CB 3.25Å; E327-N329 PolarHBondContact OE1-N 2.93Å
328	P	36.1	Very low	32	Very low	124 Å²	124	136.2 Å²	136.2	81%	0.805	73%	0.731	S	S	*	*				-143.8	126.3	78.5	35.5	-16.9	0	0	0	117.6
329	N	28.8	Very low	31.6	Very low	105 Å²	105	137.7 Å²	137.7	56%	0.561	73%	0.734	S	S	*	*				40.2	118.3	126.9	-142.3	-5.3	0	0	0	122.8	E327	E327-N329 WeakPolarHBondContact OE1-CA 3.43Å; E327-N329 WeakPolarHBondContact OE1-CB 3.25Å; E327-N329 PolarHBondContact OE1-N 2.93Å
330	Q	33.8	Very low	31.3	Very low	154 Å²	154	133.8 Å²	133.8	72%	0.72	73%	0.729	S	S	*	*			trans	65.3	142.7	153.8	-81.4	169.6	100.1	0	0	119.1
331	Q	29.4	Very low	31.5	Very low	147 Å²	147	132.2 Å²	132.2	69%	0.687	73%	0.725	S	S	*	*			cis	-155.5	147.1	3.4	-150.7	-172.2	-71	0	0	112.4
332	T	29.1	Very low	31.1	Very low	91 Å²	91	134.4 Å²	134.4	56%	0.558	73%	0.731	S	S	*	*			trans	51.4	118.1	154.6	39.9	0	0	0	0	122.5
333	Q	30.7	Very low	31.3	Very low	158 Å²	158	136.5 Å²	136.5	74%	0.738	73%	0.729	S	S	*	*				56.9	143.5	118.7	-61.6	-175.7	-90.8	0	0	121.1
334	D	29.2	Very low	31.2	Very low	118 Å²	118	133.8 Å²	133.8	63%	0.631	72%	0.724	S	S	*	*			cis	-162.9	159.3	-8	-109.1	-21.1	0	0	0	111
335	T	30.7	Very low	31.3	Very low	125 Å²	125	129.3 Å²	129.3	77%	0.767	72%	0.716	S	S	*	*			trans	56	125.3	161.6	49.7	0	0	0	0	119.1
336	A	30.2	Very low	31.6	Very low	89 Å²	89	131.6 Å²	131.6	74%	0.736	72%	0.72	S	S	*	*				74	138.7	56.4	0	0	0	0	0	113
337	T	30	Very low	31.7	Very low	113 Å²	113	132.4 Å²	132.4	69%	0.693	72%	0.718	S	S	*	*			cis	-167.3	151.3	2.5	-129.2	0	0	0	0	113.3
338	E	31	Very low	31.7	Very low	141 Å²	141	132.4 Å²	132.4	66%	0.659	72%	0.723	S	S	*	*			trans	64.2	133.6	157	-64.8	176.9	141.5	0	0	121
339	Q	31.9	Very low	31.5	Very low	170 Å²	170	134 Å²	134	79%	0.794	73%	0.725	S	S	*	*				70.8	148.3	101.5	-58.5	170.5	27.7	0	0	114.9
340	S	31.4	Very low	31.7	Very low	94 Å²	94	137.3 Å²	137.3	66%	0.657	74%	0.737	S	S	*	*			cis	-137.7	172.3	7.7	61.8	0	0	0	0	110.9
341	E	34.1	Very low	31.7	Very low	173 Å²	173	135.8 Å²	135.8	81%	0.808	74%	0.738	S	S	*	*				38.8	132	85.3	-35.1	-178.7	157	0	0	114.3
342	D	29.5	Very low	31.6	Very low	143 Å²	143	135.7 Å²	135.7	77%	0.765	74%	0.742	S	S	*	*			cis	-160.8	176.8	1.6	-145.8	-16	0	0	0	113.9
343	E	33.9	Very low	32	Very low	153 Å²	153	139.8 Å²	139.8	72%	0.715	76%	0.755	S	S	*	*			trans	37.8	136.2	152	-88.3	-149.5	115.5	0	0	126.1
344	T	28.2	Very low	32.2	Very low	118 Å²	118	137.9 Å²	137.9	72%	0.724	76%	0.759	S	S	*	*			trans	90.8	138.9	135.3	58	0	0	0	0	126
345	A	31.3	Very low	32.7	Very low	87 Å²	87	141 Å²	141	72%	0.719	77%	0.77	S	S	*	*			trans	77.2	105	139.3	0	0	0	0	0	123.6
346	M	34.6	Very low	32.7	Very low	178 Å²	178	143.2 Å²	143.2	88%	0.877	77%	0.771	S	S	*	*				36.6	111.2	121.7	-63.8	-71.3	-169	0	0	120.6
347	I	35.5	Very low	32.6	Very low	156 Å²	156	144.1 Å²	144.1	80%	0.8	77%	0.768	S	S	*	*			trans	-139.2	142.3	146.3	-59.5	-177	0	0	0	108.6
348	N	35.5	Very low	32.6	Very low	144 Å²	144	144.6 Å²	144.6	77%	0.77	77%	0.77	S	S	*	*			trans	-110.8	143.5	167.2	-68.6	-28.7	0	0	0	109.2
349	D	33.3	Very low	32.7	Very low	158 Å²	158	145.4 Å²	145.4	85%	0.845	77%	0.774	S	S	*	*			trans	-169.8	122.2	151	-81.3	-42.7	0	0	0	103.9
350	E	32.8	Very low	32.6	Very low	173 Å²	173	144.5 Å²	144.5	81%	0.808	78%	0.775	S	S	*	*			cis	92.7	110.9	30.7	-160.3	163.5	135.4	0	0	114.9
351	V	32.5	Very low	32.4	Very low	122 Å²	122	143.5 Å²	143.5	74%	0.739	78%	0.779	S	S	*	*			trans	58.5	122.5	156.3	170.3	0	0	0	0	119.8
352	D	28.3	Very low	32.2	Very low	145 Å²	145	143.2 Å²	143.2	78%	0.775	78%	0.778	S	S	*	*				-141.9	150.1	112.6	-154.5	-0.5	0	0	0	111.6
353	Q	38	Very low	32.8	Very low	178 Å²	178	142.4 Å²	142.4	83%	0.832	78%	0.78	S	S	*	*			trans	-142.3	137.7	171.6	-76.8	-171.8	1.9	0	0	109
354	S	34.9	Very low	32.6	Very low	117 Å²	117	143.4 Å²	143.4	82%	0.818	78%	0.782	S	S	*	*			trans	-148.8	137.3	160.2	33.1	0	0	0	0	112.1
355	E	38.8	Very low	32.7	Very low	185 Å²	185	145.8 Å²	145.8	86%	0.864	79%	0.787	S	S	*	*			trans	-105.3	151.3	170.4	-59.7	-177.9	112.5	0	0	109.6
356	E	31.5	Very low	32.5	Very low	170 Å²	170	148.3 Å²	148.3	79%	0.794	79%	0.794	S	S	*	*			trans	171.7	113.2	134.1	-85.8	-115	70.7	0	0	108.1
357	T	28.5	Very low	32.2	Very low	109 Å²	109	144.2 Å²	144.2	67%	0.669	78%	0.783	S	S	*	*				83	124.7	82.7	-52.8	0	0	0	0	113.9
358	V	29.8	Very low	31.9	Very low	122 Å²	122	144.5 Å²	144.5	74%	0.739	79%	0.786	S	S	*	*			trans	155.5	101.6	135.4	166.9	0	0	0	0	112.2
359	Q	32.5	Very low	31.7	Very low	159 Å²	159	146.7 Å²	146.7	74%	0.743	79%	0.788	S	S	*	*			trans	49.3	136.8	135.4	-56.1	-172.4	3	0	0	125.3
360	N	29.3	Very low	32	Very low	151 Å²	151	144.5 Å²	144.5	81%	0.807	78%	0.783	S	S	*	*			trans	75	134.2	137.4	-68.6	-16.5	0	0	0	122.8
361	G	27.3	Very low	31.8	Very low	72 Å²	72	145.2 Å²	145.2	74%	0.742	78%	0.783	S	S	*	*			trans	136.7	91.1	141.3	0	0	0	0	0	117.8
362	E	31.2	Very low	31.5	Very low	168 Å²	168	145.4 Å²	145.4	79%	0.785	79%	0.785	S	S	*	*			trans	-77.8	140.9	154.8	-167.9	-165	150.1	0	0	109.1
363	P	40.6	Very low	31.6	Very low	125 Å²	125	145.8 Å²	145.8	81%	0.812	79%	0.786	S	S	*	*				-138	163.3	129.5	37.6	-26.7	0	0	0	114.3
364	K	30.8	Very low	32	Very low	175 Å²	175	142.2 Å²	142.2	76%	0.761	78%	0.778	S	S	*	*			trans	-120.1	156.4	-170.1	-172.8	177	179.2	174.8	0	112
365	M	30.2	Very low	31.9	Very low	167 Å²	167	144.8 Å²	144.8	82%	0.823	78%	0.777	S	S	*	*			trans	75	134.8	-179	-52.1	-168.9	69.7	0	0	114.2
366	T	25.7	Very low	31.5	Very low	140 Å²	140	142.2 Å²	142.2	86%	0.859	77%	0.769	S	S	*	*				-158.5	170.1	69.4	29	0	0	0	0	114.3
367	S	29.5	Very low	31.7	Very low	93 Å²	93	140 Å²	140	65%	0.65	76%	0.762	S	S	*	*			trans	-74.3	155.2	176.7	164.2	0	0	0	0	112.9
368	N	28.3	Very low	31.8	Very low	161 Å²	161	140.2 Å²	140.2	86%	0.861	77%	0.768	S	S	*	*				178.7	158.6	118.2	-84.8	-22.9	0	0	0	116.1
369	K	32.2	Very low	31.8	Very low	190 Å²	190	139.7 Å²	139.7	83%	0.826	77%	0.765	S	S	*	*			trans	-117.6	149.5	-178.2	179.5	-164.7	173.4	-173.8	0	111.8
370	P	39.6	Very low	31.7	Very low	113 Å²	113	137.7 Å²	137.7	73%	0.734	76%	0.763	S	S	*	*			trans	-114.7	-143.8	171.6	43	-32.6	0	0	0	114.6
371	K	27.2	Very low	31.7	Very low	187 Å²	187	136 Å²	136	81%	0.813	76%	0.759	S	S	*	*			trans	-86.1	166.1	-169.8	-81.8	-159.9	171.2	-169.7	0	114.2
372	V	26.4	Very low	32.3	Very low	127 Å²	127	140.7 Å²	140.7	77%	0.77	76%	0.761	S	S	*	*			cis	119.2	135	4.4	166.1	0	0	0	0	115.2
373	L	30.5	Very low	33.1	Very low	153 Å²	153	136.6 Å²	136.6	80%	0.801	75%	0.75	S	S	*	*			trans	-54	172.7	172.1	-72.8	154.3	0	0	0	116.1
374	P	46.8	Very low	32.6	Very low	102 Å²	102	140.5 Å²	140.5	66%	0.662	75%	0.754	S	S	*	*				-141	145.5	87	26.2	-3.8	0	0	0	115.8
375	E	34	Very low	32.5	Very low	172 Å²	172	135.3 Å²	135.3	80%	0.804	75%	0.75	S	S	*	*				81.3	163.5	85.8	-57.6	168	154.6	0	0	114.3
376	D	29.5	Very low	32.5	Very low	131 Å²	131	132 Å²	132	70%	0.701	74%	0.744	S	S	*	*			cis	-156.7	-177.1	-1	-142.8	1.3	0	0	0	109.1
377	L	36.3	Very low	32.7	Very low	124 Å²	124	133.7 Å²	133.7	65%	0.649	74%	0.741	S	S	*	*			cis	-158.4	136.9	-7	-155.9	177.6	0	0	0	107.8
378	S	29.7	Very low	32.9	Very low	112 Å²	112	134.2 Å²	134.2	78%	0.783	75%	0.745	S	S	*	*			trans	177.2	143	143.1	41.2	0	0	0	0	113.7
379	T	30.5	Very low	32.9	Very low	112 Å²	112	133 Å²	133	69%	0.687	74%	0.744	S	S	*	*			cis	-160.1	125.3	-13.9	-89.4	0	0	0	0	109.9
380	V	29.5	Very low	32.7	Very low	116 Å²	116	128.6 Å²	128.6	70%	0.703	74%	0.742	S	S	*	*			trans	55.1	113.9	150	170	0	0	0	0	119.3
381	T	30.1	Very low	32.5	Very low	115 Å²	115	132.8 Å²	132.8	71%	0.706	75%	0.749	S	S	*	*				73.8	129	75.4	-80.3	0	0	0	0	112.5
382	Q	39.1	Very low	32.7	Very low	171 Å²	171	130.3 Å²	130.3	80%	0.799	75%	0.745	S	S	*	*			cis	-159.8	-158.8	21.1	-136.7	-165.9	41.6	0	0	114.2
383	P	49.5	Very low	33	Very low	83 Å²	83	129.4 Å²	129.4	54%	0.539	74%	0.74	S	S	.	*				-141.2	-163.9	-112	50.7	-31.3	0	0	0	118.4
384	K	30.1	Very low	33.1	Very low	206 Å²	206	127 Å²	127	90%	0.896	74%	0.736	S	S	*	*			trans	65.4	144.5	152.9	-70	170.7	-176.5	176.5	0	118.3
385	G	27.6	Very low	32.5	Very low	66 Å²	66	126.6 Å²	126.6	68%	0.68	74%	0.741	S	S	*	*			cis	166.6	158.3	-10.6	0	0	0	0	0	115.1
386	S	29.9	Very low	32.4	Very low	99 Å²	99	129.5 Å²	129.5	69%	0.692	75%	0.745	S	S	*	*			trans	61.9	96	145.8	-72	0	0	0	0	123
387	H	30.2	Very low	32.4	Very low	175 Å²	175	128 Å²	128	81%	0.81	75%	0.745	S	S	*	*				80.8	124.7	129.9	-47	-56	0	0	0	123.6
388	S	33.8	Very low	32.3	Very low	103 Å²	103	128.7 Å²	128.7	72%	0.72	75%	0.748	S	S	*	*			trans	101.6	142.5	133.2	-148.3	0	0	0	0	120.3
389	T	28.3	Very low	32.3	Very low	137 Å²	137	131.6 Å²	131.6	84%	0.84	75%	0.747	S	S	*	*			trans	61.5	151.5	167.3	47.7	0	0	0	0	117.8
390	A	29.4	Very low	32.3	Very low	97 Å²	97	131.6 Å²	131.6	80%	0.802	75%	0.746	S	S	*	*			cis	-157.8	-163.8	-16.8	0	0	0	0	0	109.8
391	F	35.1	Very low	32.4	Very low	201 Å²	201	133.5 Å²	133.5	88%	0.882	75%	0.747	S	S	*	*			trans	-82.7	178.3	-171.1	-109.1	-98.1	0	0	0	116.1
392	D	30.6	Very low	32.5	Very low	134 Å²	134	136.8 Å²	136.8	72%	0.717	76%	0.755	S	S	*	*			trans	83.2	152	152.3	-123	40.3	0	0	0	117.6
393	T	33	Very low	32.3	Very low	109 Å²	109	133 Å²	133	67%	0.669	75%	0.753	S	S	*	*			cis	-148.8	-176.9	-2.4	-18.5	0	0	0	0	107
394	S	33	Very low	31.5	Very low	102 Å²	102	134.4 Å²	134.4	71%	0.713	76%	0.764	S	S	*	*			cis	-163.9	163.5	5.2	-161.7	0	0	0	0	112.8
395	A	32.5	Very low	31.7	Very low	93 Å²	93	131.3 Å²	131.3	77%	0.769	76%	0.757	S	S	*	*			trans	68.1	157.1	155.1	0	0	0	0	0	118.8
396	R	32.5	Very low	32.1	Very low	234 Å²	234	136.5 Å²	136.5	88%	0.883	76%	0.763	S	S	*	*			cis	-144.7	159.3	10.7	-169.1	173.5	175	172.7	-1.2	111.8
397	S	30.7	Very low	32	Very low	100 Å²	100	137 Å²	137	70%	0.699	77%	0.767	S	S	*	*			trans	-98.7	-175.5	-177.9	-173.7	0	0	0	0	114
398	L	33.4	Very low	32.3	Very low	138 Å²	138	135 Å²	135	72%	0.723	77%	0.767	S	S	*	*			trans	86.7	142.2	174.5	-47.9	176.4	0	0	0	115
399	K	30.3	Very low	33	Very low	173 Å²	173	135.9 Å²	135.9	75%	0.752	77%	0.77	S	S	*	*			cis	-173.7	158.8	-9.3	-124.4	-169.2	168	-161.1	0	110.4
400	V	30.6	Very low	33.3	Very low	111 Å²	111	134 Å²	134	67%	0.673	76%	0.762	S	S	*	*			trans	64.8	157.7	143.1	162.3	0	0	0	0	118.1
401	E	31.5	Very low	33.4	Very low	156 Å²	156	136 Å²	136	73%	0.729	76%	0.764	S	S	*	*			cis	-175.2	162.7	-32.8	-163.7	166.8	158.4	0	0	108.8
402	E	31.8	Very low	33.4	Very low	185 Å²	185	132 Å²	132	86%	0.864	76%	0.756	S	S	*	*			trans	63.9	-178.2	160.9	-102.3	-165.1	127.3	0	0	121.5
403	A	34.7	Very low	33.5	Very low	92 Å²	92	132 Å²	132	76%	0.76	76%	0.761	S	S	*	*			trans	-148	-148.6	-148.3	0	0	0	0	0	114.2
404	S	33.5	Very low	33.4	Very low	111 Å²	111	131.6 Å²	131.6	78%	0.776	76%	0.761	S	S	*	*			trans	78.7	145.2	174.5	-117.4	0	0	0	0	116.5
405	L	33.8	Very low	33.8	Very low	141 Å²	141	132.6 Å²	132.6	74%	0.738	76%	0.763	S	S	*	*			cis	-168.2	179.4	-15.9	-124	-177.2	0	0	0	110.2
406	Q	35	Very low	34	Very low	175 Å²	175	135.6 Å²	135.6	82%	0.818	77%	0.766	S	S	*	*			trans	71.2	153.5	159.5	-73.7	166.3	18.2	0	0	118.7
407	S	29.3	Very low	34.2	Very low	110 Å²	110	132 Å²	132	77%	0.769	77%	0.765	S	S	*	*			cis	-157	162.5	-6.7	48.7	0	0	0	0	112.2
408	V	35.1	Very low	35.3	Very low	133 Å²	133	132 Å²	132	81%	0.806	76%	0.762	S	S	*	*			trans	-106.7	163.1	176.1	-147.8	0	0	0	0	111.6
409	P	48.4	Very low	35.3	Very low	122 Å²	122	134 Å²	134	79%	0.792	77%	0.773	S	S	*	*				-147.9	177	113.7	40.6	-27.7	0	0	0	115
410	S	34.8	Very low	35.6	Very low	96 Å²	96	131.7 Å²	131.7	67%	0.671	77%	0.773	S	S	*	*			cis	-175.2	123.2	-45.3	-173.8	0	0	0	0	110.1
411	V	31.8	Very low	35.6	Very low	139 Å²	139	134.7 Å²	134.7	84%	0.842	78%	0.78	S	S	*	*			trans	-155.9	120.4	-180	179	0	0	0	0	106.5
412	V	34.4	Very low	35.8	Very low	118 Å²	118	133.3 Å²	133.3	72%	0.715	78%	0.782	S	S	*	*			cis	71.3	107.2	6.5	-168.5	0	0	0	0	113.5
413	V	33	Very low	35.9	Very low	134 Å²	134	132.1 Å²	132.1	81%	0.812	78%	0.781	S	S	*	*			cis	-158.6	166.5	5.7	76.3	0	0	0	0	107.3
414	C	31.3	Very low	35.7	Very low	101 Å²	101	134.8 Å²	134.8	68%	0.682	78%	0.782	S	S	*	*			cis	-141.7	-158.5	16.7	-158.2	0	0	0	0	111.5
415	T	42.5	Very low	35.6	Very low	122 Å²	122	138 Å²	138	75%	0.748	79%	0.79	S	S	*	*			trans	-150.6	147.1	-177.5	48.5	0	0	0	0	113
416	D	36.8	Very low	35.5	Very low	156 Å²	156	136.5 Å²	136.5	83%	0.834	79%	0.792	S	S	*	*			trans	-156.2	140.3	171.3	-41.7	-108.3	0	0	0	107.9
417	D	36.3	Very low	36.1	Very low	159 Å²	159	133.9 Å²	133.9	85%	0.85	79%	0.79	S	S	*	*			cis	-154.9	146.5	-31.9	-165.5	48	0	0	0	107.8
418	P	53.5	Low	36.1	Very low	100 Å²	100	136.1 Å²	136.1	65%	0.649	79%	0.792	S	S	*	*			trans	-108.3	160.1	-163.7	39.6	-33.1	0	0	0	116.1
419	L	32.9	Very low	35.9	Very low	180 Å²	180	136.5 Å²	136.5	94%	0.942	79%	0.789	S	S	*	*			trans	-134.5	142.6	157.2	-80.7	-179.6	0	0	0	112.5
420	T	36.4	Very low	35	Very low	125 Å²	125	137.7 Å²	137.7	77%	0.767	78%	0.784	S	S	*	*			trans	-109.1	152.9	-175.7	51.6	0	0	0	0	111.5
421	E	30.8	Very low	34.7	Very low	173 Å²	173	141.6 Å²	141.6	81%	0.808	79%	0.791	S	S	*	*				-165.9	134.8	115.3	-110.5	179.6	178.9	0	0	112.3
422	T	35.4	Very low	34.7	Very low	127 Å²	127	142.5 Å²	142.5	78%	0.779	79%	0.79	S	S	*	*			trans	-123.8	120.5	169.7	45.7	0	0	0	0	108.7
423	L	33.2	Very low	35.5	Very low	160 Å²	160	142.9 Å²	142.9	84%	0.838	80%	0.795	S	S	*	*			trans	-131.1	105.4	167.9	-74.6	178.3	0	0	0	110.6
424	N	31.8	Very low	35.3	Very low	148 Å²	148	140 Å²	140	79%	0.791	79%	0.793	S	S	*	*			trans	-65.8	154.7	154.6	-66.2	-81.2	0	0	0	109.1
425	L	30.6	Very low	35.5	Very low	178 Å²	178	142.1 Å²	142.1	93%	0.932	79%	0.793	S	S	*	*				-166.8	145	128.1	-103.1	177	0	0	0	110.4
426	S	31.1	Very low	35.2	Very low	111 Å²	111	143.9 Å²	143.9	78%	0.776	79%	0.79	S	S	*	*			trans	-102.4	161.5	-179.5	-56.7	0	0	0	0	111.4
427	P	48.6	Very low	35.2	Very low	120 Å²	120	145.1 Å²	145.1	78%	0.779	79%	0.788	S	S	*	*			trans	-93	156.9	-165.8	36.6	-35.8	0	0	0	113.9
428	L	30.3	Very low	35.5	Very low	157 Å²	157	147.1 Å²	147.1	82%	0.822	79%	0.789	S	S	*	*			trans	-160.6	128.1	160.7	-94.5	140.9	0	0	0	112.9
429	L	29.5	Very low	34.8	Very low	140 Å²	140	150.8 Å²	150.8	73%	0.733	80%	0.795	S	S	*	*			trans	66.5	149.1	145.8	-49.3	-176.6	0	0	0	124.9
430	H	29.1	Very low	34.9	Very low	147 Å²	147	146 Å²	146	68%	0.681	78%	0.781	S	S	*	*			trans	-45.7	158	176.6	-38.8	-82.1	0	0	0	118.5
431	H	29.3	Very low	34.9	Very low	179 Å²	179	147 Å²	147	83%	0.829	78%	0.777	S	S	*	*				179.8	155.4	100.3	-95.1	-71.1	0	0	0	114.8
432	L	31.5	Very low	35.1	Very low	157 Å²	157	145.3 Å²	145.3	82%	0.822	77%	0.769	S	S	*	*			trans	-151	167	169.5	-83.5	176.5	0	0	0	107
433	P	51.9	Low	35.6	Very low	126 Å²	126	147.6 Å²	147.6	82%	0.818	77%	0.768	S	S	*	*			cis	-134.5	-177.8	-29.2	38.7	-22.7	0	0	0	113.1
434	G	28.3	Very low	35.9	Very low	74 Å²	74	145.6 Å²	145.6	76%	0.763	77%	0.767	S	S	*	*			trans	151.3	161.8	160.9	0	0	0	0	0	114.1
435	E	34.8	Very low	36.5	Very low	146 Å²	146	144.7 Å²	144.7	68%	0.682	77%	0.767	S	S	*	*			cis	-167.3	160.4	-20.6	-150.8	-154.1	138.6	0	0	109.2
436	K	36.3	Very low	36.9	Very low	158 Å²	158	143.4 Å²	143.4	69%	0.687	76%	0.761	S	S	*	*			trans	66.4	159	162.5	-71.8	150.4	172.6	138.1	0	118.4
437	K	37.5	Very low	38	Very low	183 Å²	183	143.5 Å²	143.5	80%	0.796	76%	0.762	S	S	*	*			cis	-174.2	166.2	-30.2	-159.5	164.2	-173.1	172.3	0	109.8
438	K	42.6	Very low	37.4	Very low	201 Å²	201	141 Å²	141	87%	0.874	76%	0.758	S	S	*	*			trans	86.2	156.2	167.5	-55.4	176	-179.6	178.9	0	117.4
439	K	39.5	Very low	38.2	Very low	177 Å²	177	142.1 Å²	142.1	77%	0.77	76%	0.759	S	S	*	*			cis	-172.5	-179.1	-39.5	-147.5	-142.6	171.7	-145.7	0	109.1	E441	K439-E441 IonicContact NZ-OE2 3.97Å; K439-E441 PolarHBondContact NZ-OE2 3.4Å
440	A	35.3	Very low	38.6	Very low	80 Å²	80	143.7 Å²	143.7	66%	0.661	76%	0.762	S	S	*	*			trans	80.6	134.4	175.9	0	0	0	0	0	115.2
441	E	34.5	Very low	39.5	Very low	144 Å²	144	141.7 Å²	141.7	67%	0.673	77%	0.765	S	S	*	*			cis	80.4	133.6	47.4	-77.9	171.7	94.8	0	0	111.9	K439	K439-E441 IonicContact NZ-OE2 3.97Å; K439-E441 PolarHBondContact NZ-OE2 3.4Å
442	E	36.4	Very low	40.7	Very low	138 Å²	138	140.9 Å²	140.9	65%	0.645	77%	0.767	S	S	*	*			cis	-139.7	172.8	14.9	-64.2	-171.9	87.9	0	0	114.4
443	K	45.6	Very low	41.4	Very low	176 Å²	176	141 Å²	141	77%	0.765	77%	0.769	S	S	*	*				20	154.2	129	-51.6	158.3	-163.5	163.8	0	118.7
444	S	39.9	Very low	41.5	Very low	117 Å²	117	143.2 Å²	143.2	82%	0.818	77%	0.768	S	S	*	*			cis	-154.6	-171.2	29	61.4	0	0	0	0	115
445	V	44.3	Very low	42.4	Very low	129 Å²	129	144.7 Å²	144.7	78%	0.782	77%	0.766	S	S	*	*			trans	-69.6	163.6	174.2	-61.4	0	0	0	0	114.4
446	D	39.7	Very low	43.5	Very low	151 Å²	151	146.8 Å²	146.8	81%	0.807	78%	0.776	S	S	*	*				-177.3	-170.7	101.4	-151.9	-6.3	0	0	0	113.1
447	S	52.8	Low	43.5	Very low	114 Å²	114	144.7 Å²	144.7	80%	0.797	78%	0.781	S	S	*	*			trans	-108.2	177	-148.3	-51.3	0	0	0	0	117.3
448	G	37	Very low	43.7	Very low	68 Å²	68	140.9 Å²	140.9	70%	0.701	78%	0.778	S	S	*	*			trans	120.4	115.5	174.8	0	0	0	0	0	111.8
449	Q	47.5	Very low	43.6	Very low	179 Å²	179	137.9 Å²	137.9	84%	0.836	78%	0.776	S	S	*	*			cis	80.2	154.2	25.5	-135.5	177.5	13.9	0	0	114.7
450	H	36.8	Very low	43.8	Very low	173 Å²	173	134.6 Å²	134.6	80%	0.801	78%	0.776	S	S	*	*			trans	73.1	144.3	-165.9	-40.5	-71	0	0	0	115
451	S	48.2	Very low	44.3	Very low	106 Å²	106	139.4 Å²	139.4	74%	0.741	78%	0.784	S	S	*	*			cis	-171.3	145.5	-34.7	43.1	0	0	0	0	108.2
452	D	54.8	Low	44.5	Very low	162 Å²	162	139.3 Å²	139.3	87%	0.866	79%	0.788	S	S	*	*			trans	-72	150.1	173.6	-47.9	-88.7	0	0	0	112.2
453	D	45.2	Very low	44.6	Very low	160 Å²	160	137.8 Å²	137.8	86%	0.856	79%	0.789	S	S	*	*			trans	-150.3	157.2	164.6	-151.1	140.1	0	0	0	108.2
454	E	55.2	Low	44.4	Very low	172 Å²	172	137 Å²	137	80%	0.804	79%	0.792	S	S	*	*			trans	-129	-155.6	-153.6	-54.4	-168	125.6	0	0	114.1
455	S	45.9	Very low	44.1	Very low	104 Å²	104	135.9 Å²	135.9	73%	0.727	79%	0.789	S	S	*	*			trans	78.2	88.1	164.9	-54.9	0	0	0	0	119.3
456	E	59	Low	43.6	Very low	190 Å²	190	134.1 Å²	134.1	89%	0.888	79%	0.788	S	S	*	*				25.4	133.3	112.3	-53.8	-174.9	164.3	0	0	120.2
457	S	35.1	Very low	43.3	Very low	114 Å²	114	131.7 Å²	131.7	80%	0.797	78%	0.783	S	S	*	*			trans	-164.4	138.8	141.1	36.7	0	0	0	0	115
458	S	43.1	Very low	42.6	Very low	104 Å²	104	133.2 Å²	133.2	73%	0.727	79%	0.788	S	S	*	*			trans	26.9	133	150.6	55.9	0	0	0	0	122.3
459	V	39.1	Very low	42.9	Very low	137 Å²	137	134.6 Å²	134.6	83%	0.83	79%	0.793	S	S	*	*			cis	82.6	148.4	44.7	177.1	0	0	0	0	114.2
460	S	43.9	Very low	42.5	Very low	109 Å²	109	130.7 Å²	130.7	76%	0.762	79%	0.791	S	S	*	*			trans	79.2	129.9	-169.1	70.6	0	0	0	0	115.2
461	E	46.2	Very low	42.7	Very low	180 Å²	180	131.1 Å²	131.1	84%	0.841	80%	0.798	S	S	*	*			cis	86.6	88.3	9.4	-155.9	178.1	-167.4	0	0	117.7
462	D	38.3	Very low	42.2	Very low	142 Å²	142	134.9 Å²	134.9	76%	0.759	80%	0.804	S	S	*	*			trans	-173.2	127.2	137	-109.6	-25.7	0	0	0	107.6
463	T	39	Very low	41.4	Very low	107 Å²	107	129.9 Å²	129.9	66%	0.656	79%	0.791	S	S	*	*				79.8	151.9	65.9	80.3	0	0	0	0	117.3
464	L	41.5	Very low	41.2	Very low	160 Å²	160	128.2 Å²	128.2	84%	0.838	79%	0.791	S	S	*	*			trans	76.7	96.6	166.6	-55	-172.2	0	0	0	121.7
465	A	33.4	Very low	40.5	Very low	92 Å²	92	128.7 Å²	128.7	76%	0.76	79%	0.793	S	S	*	*				106.1	133.9	105.8	0	0	0	0	0	121.7
466	A	33.9	Very low	40.5	Very low	92 Å²	92	128 Å²	128	76%	0.76	79%	0.794	S	S	*	*			trans	67.4	146.1	151	0	0	0	0	0	119.7
467	S	34.1	Very low	39.6	Very low	100 Å²	100	122.3 Å²	122.3	70%	0.699	79%	0.786	S	S	*	*			cis	-169.3	159.9	-17.1	-102.2	0	0	0	0	110.1
468	T	37.4	Very low	39.8	Very low	147 Å²	147	124.3 Å²	124.3	90%	0.902	79%	0.787	S	S	*	*			trans	68.1	156	174.4	79.8	0	0	0	0	115.2
469	A	44	Very low	39.6	Very low	97 Å²	97	125.9 Å²	125.9	80%	0.802	79%	0.787	S	S	*	*			cis	-132.9	170.2	1.8	0	0	0	0	0	111.4
470	A	39	Very low	39.5	Very low	97 Å²	97	125 Å²	125	80%	0.802	78%	0.782	S	S	*	*			trans	-80.6	141.3	-176.8	0	0	0	0	0	113.4
471	L	41.1	Very low	39.3	Very low	181 Å²	181	127.7 Å²	127.7	95%	0.948	79%	0.787	S	S	*	*				-155.4	151.6	121.6	-94.1	-177.8	0	0	0	108.8
472	H	37.9	Very low	39.3	Very low	186 Å²	186	126.1 Å²	126.1	86%	0.861	78%	0.784	S	S	*	*			trans	-122.2	129.1	-166.5	161.2	-70.5	0	0	0	112.4
473	G	37.1	Very low	39.2	Very low	57 Å²	57	122.7 Å²	122.7	59%	0.588	78%	0.783	S	S	*	*			trans	79	111.9	172.3	0	0	0	0	0	113.1
474	S	41.3	Very low	39.7	Very low	124 Å²	124	123.7 Å²	123.7	87%	0.867	79%	0.789	S	S	*	*				64.1	127.6	54.3	-49.8	0	0	0	0	112.9
475	H	41	Very low	39.5	Very low	183 Å²	183	125.6 Å²	125.6	85%	0.847	79%	0.793	S	S	*	*			cis	-153.4	148.6	-12	-170	-61.6	0	0	0	106.8
476	A	45.2	Very low	39.3	Very low	90 Å²	90	124.4 Å²	124.4	74%	0.744	79%	0.79	S	S	*	*			trans	-105.7	140.6	175.5	0	0	0	0	0	111.3
477	G	39.8	Very low	39.4	Very low	69 Å²	69	129 Å²	129	71%	0.711	80%	0.796	S	S	*	*			trans	123.4	107.8	164.1	0	0	0	0	0	116.7
478	L	39.8	Very low	39.5	Very low	156 Å²	156	135.2 Å²	135.2	82%	0.817	80%	0.804	S	S	*	*			trans	55	126.4	136.7	-108.5	74.8	0	0	0	122.9
479	D	38.9	Very low	39.1	Very low	137 Å²	137	136.6 Å²	136.6	73%	0.733	80%	0.8	S	S	*	*				84	154.1	124.9	-91.7	9.7	0	0	0	124.6
480	V	37.1	Very low	38.4	Very low	119 Å²	119	139.3 Å²	139.3	72%	0.721	80%	0.8	S	S	*	*			trans	83.2	103.3	153.1	165.6	0	0	0	0	120.3
481	L	39.8	Very low	37.9	Very low	166 Å²	166	140.1 Å²	140.1	87%	0.869	80%	0.8	S	S	*	*			trans	69	148.6	135	-65.2	178.5	0	0	0	124.3
482	D	46.4	Very low	37.2	Very low	146 Å²	146	136.7 Å²	136.7	78%	0.781	79%	0.786	S	S	*	*			trans	-63.2	161.2	166.1	-170.7	12.9	0	0	0	112.7
483	G	36.1	Very low	36.7	Very low	71 Å²	71	134 Å²	134	73%	0.732	78%	0.778	S	S	*	*			trans	-174.4	116.9	-179.2	0	0	0	0	0	112
484	T	49.5	Very low	36.3	Very low	128 Å²	128	138.3 Å²	138.3	79%	0.785	79%	0.787	S	S	*	*			trans	-106.9	125.2	-167.4	54.9	0	0	0	0	114.4
485	E	36.6	Very low	35.8	Very low	199 Å²	199	143.5 Å²	143.5	93%	0.93	79%	0.787	S	S	*	*			trans	-167.9	158.1	147.4	51.5	179.2	-167.9	0	0	108.6
486	G	30.2	Very low	36.3	Very low	68 Å²	68	139.5 Å²	139.5	70%	0.701	78%	0.778	S	S	*	*			cis	-173.3	163	-4.2	0	0	0	0	0	109.5
487	E	36	Very low	35.5	Very low	189 Å²	189	140.8 Å²	140.8	88%	0.883	78%	0.781	S	S	*	*			trans	19.2	122.9	166.3	-55	-168.4	131	0	0	121.1
488	R	36.2	Very low	35.1	Very low	229 Å²	229	141.8 Å²	141.8	86%	0.864	78%	0.783	S	S	*	*			trans	-162.6	129	130.5	-114.9	178.4	-64.1	-158.3	2.9	114.7
489	E	29	Very low	34.6	Very low	176 Å²	176	139 Å²	139	82%	0.822	78%	0.776	S	S	*	*			trans	46.2	101.4	149.3	-66.2	-180	124.2	0	0	121.4
490	I	28.9	Very low	34.2	Very low	154 Å²	154	140.1 Å²	140.1	79%	0.79	78%	0.781	S	S	*	*			trans	-29.3	128.1	140.8	-57.1	149.1	0	0	0	113.6
491	S	27.3	Very low	33.9	Very low	114 Å²	114	142.6 Å²	142.6	80%	0.797	79%	0.785	S	S	*	*			trans	-162.7	105.4	134.6	-91	0	0	0	0	115.9
492	V	27.6	Very low	33.5	Very low	110 Å²	110	141.2 Å²	141.2	67%	0.667	78%	0.783	S	S	*	*			trans	10	150.8	136.9	-128.5	0	0	0	0	121.7
493	N	26	Very low	32.9	Very low	130 Å²	130	141.7 Å²	141.7	70%	0.695	78%	0.778	S	S	*	*			trans	109.1	128.5	135.5	-82	-36.7	0	0	0	122.3
494	L	29.9	Very low	33.2	Very low	146 Å²	146	143.9 Å²	143.9	76%	0.764	78%	0.78	S	S	*	*			trans	66.2	90.2	138.6	-60.4	170.3	0	0	0	121.7
495	R	29.6	Very low	32.1	Very low	233 Å²	233	143.3 Å²	143.3	88%	0.879	77%	0.772	S	S	*	*				12.8	149.8	101.6	-148.7	-150.5	175.2	179.4	-0.1	117.2
496	P	53	Low	31.8	Very low	99 Å²	99	140.3 Å²	140.3	64%	0.643	77%	0.767	S	S	*	*				-132.9	170.3	-53.4	40.9	-27.4	0	0	0	113.4
497	S	27.8	Very low	32.2	Very low	118 Å²	118	142.9 Å²	142.9	83%	0.825	77%	0.769	S	S	*	*			trans	-178.4	149.8	140.1	-91.2	0	0	0	0	116.3
498	A	30.5	Very low	32.2	Very low	90 Å²	90	140 Å²	140	74%	0.744	77%	0.767	S	S	*	*			trans	22.9	145.7	138	0	0	0	0	0	121.9
499	S	30.4	Very low	31.8	Very low	96 Å²	96	134.3 Å²	134.3	67%	0.671	76%	0.761	S	S	*	*			cis	-175	150.2	-2.7	50	0	0	0	0	112.9
500	L	29.8	Very low	31.8	Very low	161 Å²	161	136.9 Å²	136.9	84%	0.843	76%	0.763	S	S	*	*			trans	62.4	144.1	158	-61.2	166	0	0	0	116.2
501	Q	32.2	Very low	32	Very low	171 Å²	171	141.1 Å²	141.1	80%	0.799	77%	0.769	S	S	*	*			cis	-156.9	171.2	41.8	-76.6	-171.6	15.7	0	0	114
502	V	30.4	Very low	32.3	Very low	138 Å²	138	141.3 Å²	141.3	84%	0.836	77%	0.771	S	S	*	*			trans	79.4	134.9	152.8	164.9	0	0	0	0	119.9
503	K	33.9	Very low	32.8	Very low	155 Å²	155	144.8 Å²	144.8	67%	0.674	78%	0.78	S	S	*	*			trans	-86.7	163.5	176	-113	-170.6	175.7	-139.1	0	110.9	D505	K503-D505 IonicContact NZ-OD1 3.66Å; K503-D505 PolarHBondContact NZ-OD1 3.02Å; K503-D505 IonicContact NZ-OD2 3.67Å
504	P	41.7	Very low	33.5	Very low	118 Å²	118	144.1 Å²	144.1	77%	0.766	78%	0.783	S	S	*	*				-122.1	153.7	51	4.7	21	0	0	0	114.5
505	D	28	Very low	33.5	Very low	116 Å²	116	146.6 Å²	146.6	62%	0.62	79%	0.787	S	S	*	*				52.9	127.8	87.5	-70.6	-7.1	0	0	0	114.2	K503	K503-D505 IonicContact NZ-OD1 3.66Å; K503-D505 PolarHBondContact NZ-OD1 3.02Å; K503-D505 IonicContact NZ-OD2 3.67Å
506	V	30.1	Very low	33.6	Very low	135 Å²	135	142.6 Å²	142.6	82%	0.818	78%	0.779	S	S	*	*			cis	-131.8	164.4	16.2	178.6	0	0	0	0	111.9
507	T	37.6	Very low	32.6	Very low	122 Å²	122	145.7 Å²	145.7	75%	0.748	78%	0.782	S	S	*	*			trans	-81.5	159	-172.3	53.1	0	0	0	0	116.5
508	P	36.6	Very low	33	Very low	130 Å²	130	146.1 Å²	146.1	84%	0.844	78%	0.782	S	S	*	*			trans	-120.8	123.4	145.9	34.3	-23.9	0	0	0	111.5
509	C	27.1	Very low	33.1	Very low	109 Å²	109	148.5 Å²	148.5	74%	0.736	78%	0.782	S	S	*	*			trans	-153.1	134.7	174.4	-158.4	0	0	0	0	115.5
510	R	29.1	Very low	33.4	Very low	229 Å²	229	153.2 Å²	153.2	86%	0.864	79%	0.79	S	S	*	*			trans	29.8	112.2	156.3	-71	179.9	171	-127	0.6	121.6
511	R	34.3	Very low	33.7	Very low	243 Å²	243	150.6 Å²	150.6	92%	0.917	79%	0.785	S	S	*	*				22.3	111.4	114.1	178.4	-167.8	-89	-178	-6.7	117.9
512	S	32.8	Very low	34	Very low	119 Å²	119	147.4 Å²	147.4	83%	0.832	78%	0.782	S	S	*	*				-171.4	157.9	121	48.5	0	0	0	0	111.9
513	E	37.5	Very low	34.5	Very low	183 Å²	183	148.4 Å²	148.4	86%	0.855	78%	0.781	S	S	*	*			trans	-78.7	165.2	-179.8	-44.4	177.2	130	0	0	112
514	P	42.2	Very low	34.7	Very low	116 Å²	116	150.2 Å²	150.2	75%	0.753	79%	0.789	S	S	*	*				-153.4	171.2	77.8	35.9	-13.3	0	0	0	119
515	F	29.8	Very low	34.7	Very low	197 Å²	197	148.8 Å²	148.8	86%	0.864	79%	0.787	S	S	*	*			trans	-4	136	162.5	-59.9	-87	0	0	0	122.6
516	Q	32.1	Very low	35.3	Very low	149 Å²	149	154 Å²	154	70%	0.696	80%	0.798	S	S	*	*				171.2	146.7	99.7	-89.4	-164.4	26.4	0	0	116.1
517	K	31.4	Very low	35.7	Very low	164 Å²	164	152.9 Å²	152.9	71%	0.713	80%	0.796	S	S	*	*			trans	48.7	122.7	148	-65.2	169.1	-179	150.6	0	122.4
518	P	35.6	Very low	35.7	Very low	127 Å²	127	151.6 Å²	151.6	83%	0.825	80%	0.798	S	S	*	*			trans	-96.3	149	150	9.7	10.1	0	0	0	112.7
519	L	32.3	Very low	35.8	Very low	141 Å²	141	150.3 Å²	150.3	74%	0.738	79%	0.792	S	S	*	*			trans	-135.4	112.8	174.3	-87.9	172.5	0	0	0	113.9
520	K	37.4	Very low	36.7	Very low	194 Å²	194	152.8 Å²	152.8	84%	0.843	80%	0.796	S	S	*	*			trans	56	113.6	144	-60.6	177.6	-178.9	177.4	0	121.4
521	S	34.9	Very low	37.3	Very low	107 Å²	107	145.2 Å²	145.2	75%	0.748	79%	0.79	S	S	*	*				-144	119.6	116.6	51.4	0	0	0	0	107.5
522	S	38.4	Very low	37.7	Very low	103 Å²	103	140.4 Å²	140.4	72%	0.72	78%	0.782	S	S	*	*				45.2	101.9	76.3	68.7	0	0	0	0	112
523	I	40.9	Very low	38	Very low	160 Å²	160	140.8 Å²	140.8	82%	0.821	77%	0.774	S	S	*	*				-151	115.9	74.6	-77.7	145.4	0	0	0	108
524	K	39.4	Very low	37.9	Very low	192 Å²	192	139.1 Å²	139.1	84%	0.835	77%	0.77	S	S	*	*				49.2	103.1	86.9	-162	176	-176.3	-178.4	0	113
525	A	41.8	Very low	37.9	Very low	88 Å²	88	137.6 Å²	137.6	73%	0.727	76%	0.762	S	S	*	*				-155.3	149.1	70.5	0	0	0	0	0	115.9
526	R	40.6	Very low	38	Very low	225 Å²	225	135.3 Å²	135.3	85%	0.849	76%	0.759	S	S	*	*			trans	29.3	118.4	140	-76.2	179.2	170	170.9	-5.7	119.3
527	S	37.9	Very low	38.2	Very low	113 Å²	113	133.5 Å²	133.5	79%	0.79	76%	0.763	S	S	*	*				86.2	143.4	69.2	-68.5	0	0	0	0	112.9
528	A	38.1	Very low	38.4	Very low	94 Å²	94	133.3 Å²	133.3	78%	0.777	77%	0.769	S	S	*	*			cis	-168.8	-162.4	-9.8	0	0	0	0	0	109.9
529	S	38.8	Very low	38.1	Very low	104 Å²	104	130.4 Å²	130.4	73%	0.727	76%	0.762	S	S	*	*			trans	90.2	116.2	-175.4	-150.7	0	0	0	0	112.4
530	I	46.3	Very low	38.1	Very low	160 Å²	160	129.6 Å²	129.6	82%	0.821	77%	0.768	S	S	*	*				54.8	116.9	65	-60.8	174.6	0	0	0	108.7
531	G	40.1	Very low	37.7	Very low	71 Å²	71	124.1 Å²	124.1	73%	0.732	77%	0.767	S	S	*	*			cis	115.6	156.5	36.4	0	0	0	0	0	107.1
532	D	43.4	Very low	37.6	Very low	142 Å²	142	127.3 Å²	127.3	76%	0.759	77%	0.77	S	S	*	*			cis	-161.2	176	5	-168.8	12.1	0	0	0	108.7
533	L	39.4	Very low	37.3	Very low	126 Å²	126	129 Å²	129	66%	0.66	77%	0.77	S	S	*	*			trans	62.4	131	154.7	-79.3	163.6	0	0	0	122
534	L	36.1	Very low	36.8	Very low	149 Å²	149	129.9 Å²	129.9	78%	0.78	77%	0.768	S	S	*	*			trans	69.3	159.1	146.4	-60.7	168.7	0	0	0	118.7
535	S	40.5	Very low	36.6	Very low	83 Å²	83	126.4 Å²	126.4	58%	0.58	76%	0.763	S	S	*	*			cis	-168.3	153.2	-41.6	-136.2	0	0	0	0	108.2
536	D	32.6	Very low	35.9	Very low	149 Å²	149	127.6 Å²	127.6	80%	0.797	76%	0.762	S	S	*	*			trans	44.6	139.7	150.7	-55	-59.4	0	0	0	123.4
537	S	36.2	Very low	35.1	Very low	111 Å²	111	127.3 Å²	127.3	78%	0.776	76%	0.76	S	S	*	*			trans	117.8	154.7	137.8	-151.6	0	0	0	0	118.6
538	L	36.1	Very low	34.6	Very low	160 Å²	160	130.5 Å²	130.5	84%	0.838	76%	0.76	S	S	*	*			trans	-23.7	146.3	-177.8	-84.3	56.2	0	0	0	117
539	G	29.9	Very low	34.4	Very low	66 Å²	66	130.3 Å²	130.3	68%	0.68	76%	0.759	S	S	*	*			cis	86.9	132	48.2	0	0	0	0	0	111.1
540	S	31.1	Very low	34.1	Very low	124 Å²	124	134.6 Å²	134.6	87%	0.867	77%	0.767	S	S	*	*			trans	54.5	99.6	176.4	-173.2	0	0	0	0	117
541	G	29.7	Very low	33.4	Very low	79 Å²	79	134.8 Å²	134.8	81%	0.814	77%	0.77	S	S	*	*			trans	-68.6	148.6	173.3	0	0	0	0	0	114
542	Q	33	Very low	33.5	Very low	175 Å²	175	140.7 Å²	140.7	82%	0.818	78%	0.778	S	S	*	*			trans	-137.9	114.6	155.3	-146.3	-157.8	100.3	0	0	111.7
543	L	31.6	Very low	33.2	Very low	139 Å²	139	137.3 Å²	137.3	73%	0.728	78%	0.777	S	S	*	*			trans	58.8	147.2	148.8	-83.4	166.3	0	0	0	122.6
544	K	30.6	Very low	33.7	Very low	177 Å²	177	136.9 Å²	136.9	77%	0.77	78%	0.784	S	S	*	*			trans	74.6	74.5	157.2	-69	170.6	-178.3	176.4	0	119.1
545	T	34	Very low	34.5	Very low	119 Å²	119	135.2 Å²	135.2	73%	0.73	78%	0.775	S	S	*	*				8	138.2	116.4	58	0	0	0	0	118.7
546	T	27.4	Very low	35.4	Very low	114 Å²	114	133.1 Å²	133.1	70%	0.699	76%	0.76	S	S	*	*				-179.3	169.1	109.7	28.6	0	0	0	0	111.7
547	W	25.2	Very low	36.6	Very low	218 Å²	218	131.3 Å²	131.3	83%	0.826	76%	0.757	S	S	*	*			trans	69.5	101.4	174.4	-44.9	91.2	0	0	0	114.4
548	K	27.3	Very low	37.9	Very low	181 Å²	181	133 Å²	133	79%	0.787	75%	0.751	S	S	*	*				64.8	108.9	93.7	-74.3	-164.5	172.9	-166.1	0	112.2
549	A	32.6	Very low	39.3	Very low	90 Å²	90	130.4 Å²	130.4	74%	0.744	73%	0.734	S	S	*	*				67.6	130.2	82.2	0	0	0	0	0	111.4
550	E	32.6	Very low	41.4	Very low	194 Å²	194	131.5 Å²	131.5	91%	0.907	72%	0.724	S	S	*	*			cis	-142.2	147.9	22.2	-59.2	159.4	145.4	0	0	111.5
551	N	31.6	Very low	43.5	Very low	164 Å²	164	128.4 Å²	128.4	88%	0.877	70%	0.703	S	S	*	*			trans	-169.4	133	133.5	-144.9	-4.2	0	0	0	111.2
552	E	42.5	Very low	46.2	Very low	194 Å²	194	127.7 Å²	127.7	91%	0.907	68%	0.68	S	S	*	*			trans	-86.4	130.3	168.5	-67.5	-169.7	124.9	0	0	109.7
553	G	36.8	Very low	48.6	Very low	71 Å²	71	122.8 Å²	122.8	73%	0.732	66%	0.662	S	S	*	*			trans	-168.2	56	-167	0	0	0	0	0	116.1
554	S	51.3	Low	51.3	Low	117 Å²	117	122 Å²	122	82%	0.818	65%	0.652	S	S	*	*			trans	56.3	62.1	165.4	-177	0	0	0	0	116	S556	S554-S556 PolarHBondContact O-N 3.46Å
555	I	51.1	Low	54.2	Low	115 Å²	115	118.4 Å²	118.4	59%	0.59	64%	0.641	S	S	*	*			trans	-59.2	129.6	155.7	-59	175	0	0	0	107.6	Q559 N560	I555-Q559 HydrophobicContact CG2-CB 3.85Å; I555-N560 WeakPolarHBondContact CG2-OD1 3.34Å
556	S	60.5	Low	56.6	Low	38 Å²	38	118.5 Å²	118.5	27%	0.266	63%	0.633	S	S	.	*			trans	-64.8	145	-177.1	68.8	0	0	0	0	111.2	S554 F558 Q559 N560	S554-S556 PolarHBondContact O-N 3.46Å; S556-F558 PolarHBondContact O-N 3.12Å; S556-Q559 PolarHBondContact O-N 3.33Å; S556-Q559 WeakPolarHBondContact OG-CG 3.47Å; S556-Q559 PolarHBondContact OG-N 3.46Å; S556-Q559 PolarHBondContact OG-OE1 3.24Å; S556-N560 PolarHBondContact O-N 3.03Å
557	P	58	Low	59.6	Low	112 Å²	112	117.5 Å²	117.5	73%	0.727	63%	0.627	S	S	*	*	H	α-helix	trans	-54.6	-28.4	174.2	-26.7	35	0	0	0	112.8	S561	P557-S561 PolarHBondContact O-N 3.2Å
558	F	62.2	Low	62.8	Low	147 Å²	147	111.5 Å²	111.5	65%	0.645	61%	0.608	S	S	*	*	H	α-helix	trans	-66.2	-45	176.6	-166.8	-117	0	0	0	112.5	S556 N560 S561 I562	S556-F558 PolarHBondContact O-N 3.12Å; F558-N560 PolarHBondContact O-N 2.91Å; F558-S561 PolarHBondContact O-N 2.86Å; F558-S561 VanDerWaalsContact O-N 3.11Å; F558-S561 PolarHBondContact O-OG 3.17Å; F558-I562 HydrophobicContact CD1-CD1 3.75Å; F558-I562 HydrophobicContact CE1-CD1 3.58Å; F558-I562 HydrophobicContact CG-CD1 4.44Å; F558-I562 HydrophobicContact CZ-CD1 4.14Å; F558-I562 WeakPolarHBondContact O-CG1 3.49Å; F558-I562 PolarHBondContact O-N 3.01Å
559	Q	67.1	Low	65.9	Low	105 Å²	105	106.5 Å²	106.5	49%	0.491	59%	0.593	S	S	.	*	H	α-helix	trans	-64.5	-39.4	176.5	-76.2	160.4	-66	0	0	112.1	I555 S556 S561 I562 T563	I555-Q559 HydrophobicContact CG2-CB 3.85Å; S556-Q559 PolarHBondContact O-N 3.33Å; S556-Q559 WeakPolarHBondContact OG-CG 3.47Å; S556-Q559 PolarHBondContact OG-N 3.46Å; S556-Q559 PolarHBondContact OG-OE1 3.24Å; Q559-S561 VanDerWaalsContact C-N 3.27Å; Q559-S561 PolarHBondContact O-N 3.38Å; Q559-I562 PolarHBondContact O-N 2.86Å; Q559-T563 PolarHBondContact O-N 3.4Å; Q559-T563 PolarHBondContact O-OG1 2.87Å
560	N	74.4	Confident	68.7	Low	88 Å²	88	105 Å²	105	47%	0.471	58%	0.58	S	S	.	*	H	α-helix	trans	-64.6	-31.5	173.1	-68.9	-15.4	0	0	0	112.4	I555 S556 F558 T563 K564	I555-N560 WeakPolarHBondContact CG2-OD1 3.34Å; S556-N560 PolarHBondContact O-N 3.03Å; F558-N560 PolarHBondContact O-N 2.91Å; N560-T563 PolarHBondContact O-OG1 3.49Å; N560-K564 VanDerWaalsContact O-CB 3.27Å; N560-K564 WeakPolarHBondContact O-CB 3.33Å; N560-K564 PolarHBondContact O-N 3.48Å; N560-K564 VanDerWaalsContact O-N 3.15Å
561	S	74.8	Confident	71.6	Confident	60 Å²	60	101.5 Å²	101.5	42%	0.42	57%	0.567	S	S	.	*	H	α-helix	trans	-73.4	-34.5	173.9	75.7	0	0	0	0	113	P557 F558 Q559 L565	P557-S561 PolarHBondContact O-N 3.2Å; F558-S561 PolarHBondContact O-N 2.86Å; F558-S561 VanDerWaalsContact O-N 3.11Å; F558-S561 PolarHBondContact O-OG 3.17Å; Q559-S561 VanDerWaalsContact C-N 3.27Å; Q559-S561 PolarHBondContact O-N 3.38Å; S561-L565 VanDerWaalsContact O-CB 3.31Å; S561-L565 WeakPolarHBondContact O-CB 3.49Å; S561-L565 PolarHBondContact O-N 3.43Å
562	I	85.9	Confident	74.4	Confident	63 Å²	63	99.6 Å²	99.6	32%	0.323	55%	0.553	S	S	.	*	H	α-helix	trans	-67.7	-53.6	175.5	-70.9	166	0	0	0	110.1	F558 Q559 K564 L565 E566	F558-I562 HydrophobicContact CD1-CD1 3.75Å; F558-I562 HydrophobicContact CE1-CD1 3.58Å; F558-I562 HydrophobicContact CG-CD1 4.44Å; F558-I562 HydrophobicContact CZ-CD1 4.14Å; F558-I562 WeakPolarHBondContact O-CG1 3.49Å; F558-I562 PolarHBondContact O-N 3.01Å; Q559-I562 PolarHBondContact O-N 2.86Å; I562-K564 VanDerWaalsContact C-N 3.29Å; I562-K564 PolarHBondContact O-N 3.32Å; I562-L565 CarbonylContact O-C 3.59Å; I562-L565 PolarHBondContact O-N 3.11Å; I562-E566 HydrophobicContact CG2-CG 4.25Å; I562-E566 WeakPolarHBondContact CG2-OE1 3.17Å; I562-E566 WeakPolarHBondContact O-CG 3.46Å; I562-E566 PolarHBondContact O-N 3.49Å
563	T	82.9	Confident	76.8	Confident	73 Å²	73	96.6 Å²	96.6	45%	0.448	54%	0.541	S	S	.	.	H	α-helix	trans	-63.6	-35.9	-178.9	54.8	0	0	0	0	111.9	Q559 N560 E566 T567	Q559-T563 PolarHBondContact O-N 3.4Å; Q559-T563 PolarHBondContact O-OG1 2.87Å; N560-T563 PolarHBondContact O-OG1 3.49Å; T563-E566 PolarHBondContact O-N 2.99Å; T563-T567 WeakPolarHBondContact O-CG2 3.43Å; T563-T567 PolarHBondContact O-N 3.29Å; T563-T567 PolarHBondContact O-OG1 3.02Å
564	K	89.1	Confident	79.3	Confident	121 Å²	121	99.5 Å²	99.5	53%	0.526	53%	0.533	S	S	.	.	H	α-helix	trans	-58.3	-53.1	168.9	-177.7	177.3	-177.5	-78.6	0	111	N560 I562 E566 T567 E568	N560-K564 VanDerWaalsContact O-CB 3.27Å; N560-K564 WeakPolarHBondContact O-CB 3.33Å; N560-K564 PolarHBondContact O-N 3.48Å; N560-K564 VanDerWaalsContact O-N 3.15Å; I562-K564 VanDerWaalsContact C-N 3.29Å; I562-K564 PolarHBondContact O-N 3.32Å; K564-E566 VanDerWaalsContact C-N 3.31Å; K564-E566 PolarHBondContact O-N 2.94Å; K564-T567 PolarHBondContact O-N 3.15Å; K564-T567 VanDerWaalsContact O-N 3.14Å; K564-T567 PolarHBondContact O-OG1 2.93Å; K564-E568 IonicContact NZ-OE2 3.81Å; K564-E568 PolarHBondContact NZ-OE2 3.28Å; K564-E568 WeakPolarHBondContact O-CB 3.36Å; K564-E568 PolarHBondContact O-N 3.14Å
565	L	90.2	Very high	81.2	Confident	103 Å²	103	97.9 Å²	97.9	54%	0.539	52%	0.515	S	S	.	.	H	α-helix	trans	-61.1	-38.3	-179	-175.6	63.9	0	0	0	112.3	S561 I562 E568 V569	S561-L565 VanDerWaalsContact O-CB 3.31Å; S561-L565 WeakPolarHBondContact O-CB 3.49Å; S561-L565 PolarHBondContact O-N 3.43Å; I562-L565 CarbonylContact O-C 3.59Å; I562-L565 PolarHBondContact O-N 3.11Å; L565-E568 PolarHBondContact O-N 2.92Å; L565-V569 HydrophobicContact CD1-CG2 4.32Å; L565-V569 HydrophobicContact CG-CG2 4.45Å; L565-V569 WeakPolarHBondContact O-CB 3.38Å; L565-V569 VanDerWaalsContact O-CG2 3.28Å; L565-V569 WeakPolarHBondContact O-CG2 3.4Å; L565-V569 PolarHBondContact O-N 3.35Å
566	E	86.3	Confident	83.1	Confident	120 Å²	120	95.5 Å²	95.5	56%	0.561	51%	0.507	S	S	*	.	H	α-helix	trans	-62.5	-43.9	173.9	-71.3	169.2	162.6	0	0	111.5	I562 T563 K564 A570	I562-E566 HydrophobicContact CG2-CG 4.25Å; I562-E566 WeakPolarHBondContact CG2-OE1 3.17Å; I562-E566 WeakPolarHBondContact O-CG 3.46Å; I562-E566 PolarHBondContact O-N 3.49Å; T563-E566 PolarHBondContact O-N 2.99Å; K564-E566 VanDerWaalsContact C-N 3.31Å; K564-E566 PolarHBondContact O-N 2.94Å; E566-A570 VanDerWaalsContact O-CB 3.26Å; E566-A570 WeakPolarHBondContact O-CB 3.34Å; E566-A570 PolarHBondContact O-N 3.05Å
567	T	89.4	Confident	84.2	Confident	93 Å²	93	96.9 Å²	96.9	57%	0.571	52%	0.516	S	S	*	.	H	α-helix	trans	-68.8	-32.6	174.5	58.5	0	0	0	0	113.4	T563 K564 L571	T563-T567 WeakPolarHBondContact O-CG2 3.43Å; T563-T567 PolarHBondContact O-N 3.29Å; T563-T567 PolarHBondContact O-OG1 3.02Å; K564-T567 PolarHBondContact O-N 3.15Å; K564-T567 VanDerWaalsContact O-N 3.14Å; K564-T567 PolarHBondContact O-OG1 2.93Å; T567-L571 VanDerWaalsContact O-CB 3.25Å; T567-L571 WeakPolarHBondContact O-CB 3.48Å; T567-L571 PolarHBondContact O-N 2.93Å
568	E	92.1	Very high	85.7	Confident	92 Å²	92	96.1 Å²	96.1	43%	0.43	50%	0.503	S	S	.	.	H	α-helix	trans	-70.5	-45.4	178.2	-163.2	164.1	156.3	0	0	110.4	K564 L565 L571 E572	K564-E568 IonicContact NZ-OE2 3.81Å; K564-E568 PolarHBondContact NZ-OE2 3.28Å; K564-E568 WeakPolarHBondContact O-CB 3.36Å; K564-E568 PolarHBondContact O-N 3.14Å; L565-E568 PolarHBondContact O-N 2.92Å; E568-L571 PolarHBondContact O-N 2.97Å; E568-E572 PolarHBondContact O-N 3.13Å
569	V	91.8	Very high	86.8	Confident	76 Å²	76	93.7 Å²	93.7	46%	0.461	50%	0.496	S	S	.	.	H	α-helix	trans	-63.7	-42.6	172.1	170.4	0	0	0	0	111.5	L565 L571 E572 M573	L565-V569 HydrophobicContact CD1-CG2 4.32Å; L565-V569 HydrophobicContact CG-CG2 4.45Å; L565-V569 WeakPolarHBondContact O-CB 3.38Å; L565-V569 VanDerWaalsContact O-CG2 3.28Å; L565-V569 WeakPolarHBondContact O-CG2 3.4Å; L565-V569 PolarHBondContact O-N 3.35Å; V569-L571 VanDerWaalsContact C-N 3.33Å; V569-L571 PolarHBondContact O-N 3.24Å; V569-E572 PolarHBondContact O-N 3.3Å; V569-M573 HydrophobicContact CG1-CG 4.32Å; V569-M573 HydrophobicContact CG1-SD 4.13Å; V569-M573 WeakPolarHBondContact O-CB 3.48Å; V569-M573 VanDerWaalsContact O-CG 3.3Å; V569-M573 WeakPolarHBondContact O-CG 3.3Å; V569-M573 PolarHBondContact O-N 2.95Å
570	A	91.6	Very high	87.4	Confident	58 Å²	58	94.5 Å²	94.5	48%	0.479	50%	0.503	S	S	.	.	H	α-helix	trans	-64.3	-37.7	176.5	0	0	0	0	0	112.4	E566 K574	E566-A570 VanDerWaalsContact O-CB 3.26Å; E566-A570 WeakPolarHBondContact O-CB 3.34Å; E566-A570 PolarHBondContact O-N 3.05Å; A570-K574 WeakPolarHBondContact O-CB 2.89Å; A570-K574 PolarHBondContact O-N 2.82Å
571	L	94.2	Very high	87.4	Confident	121 Å²	121	93.4 Å²	93.4	63%	0.634	50%	0.502	S	S	*	.	H	α-helix	trans	-67.4	-41	174.7	-178.3	62.7	0	0	0	111.7	T567 E568 V569 K574 N575	T567-L571 VanDerWaalsContact O-CB 3.25Å; T567-L571 WeakPolarHBondContact O-CB 3.48Å; T567-L571 PolarHBondContact O-N 2.93Å; E568-L571 PolarHBondContact O-N 2.97Å; V569-L571 VanDerWaalsContact C-N 3.33Å; V569-L571 PolarHBondContact O-N 3.24Å; L571-K574 PolarHBondContact O-N 3.13Å; L571-N575 WeakPolarHBondContact O-CB 3.36Å; L571-N575 PolarHBondContact O-N 3.18Å
572	E	90.3	Very high	87.3	Confident	125 Å²	125	94 Å²	94	58%	0.584	50%	0.498	S	S	*	.	H	α-helix	trans	-74.1	-34.3	178	-171.9	155.9	-156.2	0	0	112.7	E568 V569 K574 N575 T576	E568-E572 PolarHBondContact O-N 3.13Å; V569-E572 PolarHBondContact O-N 3.3Å; E572-K574 VanDerWaalsContact C-N 3.3Å; E572-K574 PolarHBondContact O-N 2.86Å; E572-N575 PolarHBondContact O-N 2.94Å; E572-T576 HydrophobicContact CG-CG2 4.44Å; E572-T576 WeakPolarHBondContact O-CB 3.48Å; E572-T576 WeakPolarHBondContact O-CG2 3.39Å; E572-T576 PolarHBondContact O-N 3.5Å; E572-T576 PolarHBondContact O-OG1 2.97Å
573	M	92.1	Very high	86.2	Confident	130 Å²	130	94.2 Å²	94.2	64%	0.64	51%	0.509	S	S	*	.	H	α-helix	trans	-60.8	-39.7	167.4	-75.7	-176	70.4	0	0	111.4	V569 T576 S577	V569-M573 HydrophobicContact CG1-CG 4.32Å; V569-M573 HydrophobicContact CG1-SD 4.13Å; V569-M573 WeakPolarHBondContact O-CB 3.48Å; V569-M573 VanDerWaalsContact O-CG 3.3Å; V569-M573 WeakPolarHBondContact O-CG 3.3Å; V569-M573 PolarHBondContact O-N 2.95Å; M573-T576 WeakPolarHBondContact CA-OG1 3.22Å; M573-T576 PolarHBondContact O-OG1 3.25Å; M573-T576 VanDerWaalsContact O-OG1 3.1Å; M573-S577 WeakPolarHBondContact O-CB 3.46Å; M573-S577 PolarHBondContact O-N 3.33Å; M573-S577 PolarHBondContact O-OG 3.47Å
574	K	90.7	Very high	85.3	Confident	132 Å²	132	99.1 Å²	99.1	57%	0.574	53%	0.528	S	S	*	.	H	α-helix	trans	-65.5	-50.1	173.3	-171	-174.3	174.1	-169	0	111.3	A570 L571 E572 T576 S577 E578	A570-K574 WeakPolarHBondContact O-CB 2.89Å; A570-K574 PolarHBondContact O-N 2.82Å; L571-K574 PolarHBondContact O-N 3.13Å; E572-K574 VanDerWaalsContact C-N 3.3Å; E572-K574 PolarHBondContact O-N 2.86Å; K574-T576 PolarHBondContact O-N 2.71Å; K574-S577 PolarHBondContact O-N 3.25Å; K574-S577 VanDerWaalsContact O-N 3.12Å; K574-S577 PolarHBondContact O-OG 3.33Å; K574-E578 PolarHBondContact O-N 3.05Å
575	N	90.9	Very high	83.5	Confident	83 Å²	83	100.8 Å²	100.8	44%	0.444	54%	0.537	S	S	.	.	H	α-helix	trans	-57.5	-45.6	179.4	-174.8	11.5	0	0	0	111.8	L571 E572 S577 E578 L579	L571-N575 WeakPolarHBondContact O-CB 3.36Å; L571-N575 PolarHBondContact O-N 3.18Å; E572-N575 PolarHBondContact O-N 2.94Å; N575-S577 PolarHBondContact O-N 3.29Å; N575-E578 PolarHBondContact O-N 3.44Å; N575-L579 WeakPolarHBondContact O-CG 3.36Å; N575-L579 PolarHBondContact O-N 2.97Å
576	T	90.5	Very high	81.4	Confident	66 Å²	66	104.3 Å²	104.3	41%	0.405	54%	0.543	S	S	.	.	H	α-helix	trans	-65.5	-37.4	175.3	49.7	0	0	0	0	112.6	E572 M573 K574 E578 L579 L580	E572-T576 HydrophobicContact CG-CG2 4.44Å; E572-T576 WeakPolarHBondContact O-CB 3.48Å; E572-T576 WeakPolarHBondContact O-CG2 3.39Å; E572-T576 PolarHBondContact O-N 3.5Å; E572-T576 PolarHBondContact O-OG1 2.97Å; M573-T576 WeakPolarHBondContact CA-OG1 3.22Å; M573-T576 PolarHBondContact O-OG1 3.25Å; M573-T576 VanDerWaalsContact O-OG1 3.1Å; K574-T576 PolarHBondContact O-N 2.71Å; T576-E578 VanDerWaalsContact C-N 3.33Å; T576-E578 PolarHBondContact O-N 2.92Å; T576-L579 PolarHBondContact O-N 2.69Å; T576-L580 VanDerWaalsContact O-CG 3.29Å; T576-L580 WeakPolarHBondContact O-CG 3.46Å; T576-L580 PolarHBondContact O-N 2.94Å
577	S	84.6	Confident	79.6	Confident	66 Å²	66	103.4 Å²	103.4	46%	0.462	55%	0.55	S	S	.	.	H	α-helix	trans	-64.8	-35.3	171.7	76.6	0	0	0	0	112.9	M573 K574 N575 L580 S581	M573-S577 WeakPolarHBondContact O-CB 3.46Å; M573-S577 PolarHBondContact O-N 3.33Å; M573-S577 PolarHBondContact O-OG 3.47Å; K574-S577 PolarHBondContact O-N 3.25Å; K574-S577 VanDerWaalsContact O-N 3.12Å; K574-S577 PolarHBondContact O-OG 3.33Å; N575-S577 PolarHBondContact O-N 3.29Å; S577-L580 PolarHBondContact O-N 3.27Å; S577-S581 WeakPolarHBondContact O-CB 3.33Å; S577-S581 PolarHBondContact O-N 3.36Å
578	E	88.7	Confident	77.7	Confident	96 Å²	96	109.7 Å²	109.7	45%	0.449	57%	0.565	S	S	.	*	H	α-helix	trans	-71.3	-40.1	177.1	-167.1	175.7	146.8	0	0	111.4	K574 N575 T576 S581 Q582	K574-E578 PolarHBondContact O-N 3.05Å; N575-E578 PolarHBondContact O-N 3.44Å; T576-E578 VanDerWaalsContact C-N 3.33Å; T576-E578 PolarHBondContact O-N 2.92Å; E578-S581 WeakPolarHBondContact O-CB 3.37Å; E578-S581 PolarHBondContact O-N 3.21Å; E578-Q582 WeakPolarHBondContact O-CG 3.31Å; E578-Q582 PolarHBondContact O-N 3.29Å
579	L	85.1	Confident	75.9	Confident	96 Å²	96	108.7 Å²	108.7	50%	0.503	57%	0.572	S	S	.	*	H	α-helix	trans	-64.1	-37.5	172.3	-71.5	171.5	0	0	0	112.6	N575 T576 A583	N575-L579 WeakPolarHBondContact O-CG 3.36Å; N575-L579 PolarHBondContact O-N 2.97Å; T576-L579 PolarHBondContact O-N 2.69Å; L579-A583 WeakPolarHBondContact O-CB 3.13Å; L579-A583 PolarHBondContact O-N 2.99Å
580	L	80.3	Confident	74.3	Confident	122 Å²	122	113.7 Å²	113.7	64%	0.639	59%	0.59	S	S	*	*	H	α-helix	trans	-68	-40.9	172.9	-71.5	169.2	0	0	0	111.3	T576 S577 A583 Q584	T576-L580 VanDerWaalsContact O-CG 3.29Å; T576-L580 WeakPolarHBondContact O-CG 3.46Å; T576-L580 PolarHBondContact O-N 2.94Å; S577-L580 PolarHBondContact O-N 3.27Å; L580-A583 PolarHBondContact O-N 2.85Å; L580-Q584 PolarHBondContact O-N 3.26Å
581	S	74.4	Confident	73.1	Confident	66 Å²	66	115.5 Å²	115.5	46%	0.462	60%	0.596	S	S	.	*	H	α-helix	trans	-60.4	-46.1	172.8	-165.1	0	0	0	0	111.5	S577 E578 A583 Q584 E585	S577-S581 WeakPolarHBondContact O-CB 3.33Å; S577-S581 PolarHBondContact O-N 3.36Å; E578-S581 WeakPolarHBondContact O-CB 3.37Å; E578-S581 PolarHBondContact O-N 3.21Å; S581-A583 VanDerWaalsContact C-N 3.3Å; S581-A583 PolarHBondContact O-N 2.71Å; S581-Q584 CarbonylContact O-C 3.57Å; S581-Q584 PolarHBondContact O-N 2.71Å; S581-Q584 VanDerWaalsContact O-N 3.13Å; S581-E585 VanDerWaalsContact O-CB 3.31Å; S581-E585 WeakPolarHBondContact O-CB 3.49Å; S581-E585 PolarHBondContact O-N 2.79Å
582	Q	73.4	Confident	72.3	Confident	72 Å²	72	114.1 Å²	114.1	34%	0.336	59%	0.587	S	S	.	*	H	α-helix	trans	-66.3	-29.2	176.1	-72.4	-177.9	23.1	0	0	113	E578 R586	E578-Q582 WeakPolarHBondContact O-CG 3.31Å; E578-Q582 PolarHBondContact O-N 3.29Å; Q582-R586 WeakPolarHBondContact O-CB 3.42Å; Q582-R586 WeakPolarHBondContact O-CG 3.46Å; Q582-R586 PolarHBondContact O-N 3.42Å
583	A	62.8	Low	71.7	Confident	67 Å²	67	112.1 Å²	112.1	55%	0.554	59%	0.585	S	S	*	*	H	α-helix	trans	-71.3	-32	172.4	0	0	0	0	0	112.1	L579 L580 S581	L579-A583 WeakPolarHBondContact O-CB 3.13Å; L579-A583 PolarHBondContact O-N 2.99Å; L580-A583 PolarHBondContact O-N 2.85Å; S581-A583 VanDerWaalsContact C-N 3.3Å; S581-A583 PolarHBondContact O-N 2.71Å
584	Q	62.5	Low	71.1	Confident	177 Å²	177	111.3 Å²	111.3	83%	0.827	58%	0.58	S	S	*	*	H	α-helix	trans	-82.8	-28.5	176.3	-171.5	168.3	-20.7	0	0	113	L580 S581	L580-Q584 PolarHBondContact O-N 3.26Å; S581-Q584 CarbonylContact O-C 3.57Å; S581-Q584 PolarHBondContact O-N 2.71Å; S581-Q584 VanDerWaalsContact O-N 3.13Å
585	E	51.5	Low	70.9	Confident	155 Å²	155	109.9 Å²	109.9	72%	0.724	58%	0.578	S	S	*	*	H	α-helix	trans	-84.7	-20.5	176.7	-169.4	169.4	-150.6	0	0	112.8	S581 S587	S581-E585 VanDerWaalsContact O-CB 3.31Å; S581-E585 WeakPolarHBondContact O-CB 3.49Å; S581-E585 PolarHBondContact O-N 2.79Å; E585-S587 PolarHBondContact O-N 3.06Å
586	R	47.3	Very low	70.9	Confident	178 Å²	178	111.5 Å²	111.5	67%	0.672	59%	0.586	S	S	*	*	S	Bend	trans	-72.4	74.6	166.2	-82.2	-172.4	177.3	123.3	6.1	111.7	Q582 Y588	Q582-R586 WeakPolarHBondContact O-CB 3.42Å; Q582-R586 WeakPolarHBondContact O-CG 3.46Å; Q582-R586 PolarHBondContact O-N 3.42Å; R586-Y588 PolarHBondContact O-N 3Å
587	S	47.4	Very low	70.9	Confident	100 Å²	100	113.4 Å²	113.4	70%	0.699	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.6	107.4	160.4	169	0	0	0	0	110.9	E585 A589	E585-S587 PolarHBondContact O-N 3.06Å; S587-A589 PolarHBondContact O-N 3.09Å
588	Y	50.3	Low	71.3	Confident	226 Å²	226	113 Å²	113	89%	0.886	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	44.1	56.3	160.7	-63.5	-88.1	0	0	0	116.2	R586 E590	R586-Y588 PolarHBondContact O-N 3Å; Y588-E590 PolarHBondContact O-N 3.38Å
589	A	52.9	Low	71.5	Confident	71 Å²	71	114.6 Å²	114.6	59%	0.587	60%	0.599	S	S	*	*			trans	-71.9	118	145.3	0	0	0	0	0	107.4	S587 V591	S587-A589 PolarHBondContact O-N 3.09Å; A589-V591 PolarHBondContact O-N 3.14Å
590	E	59.8	Low	71.9	Confident	180 Å²	180	112.6 Å²	112.6	84%	0.841	60%	0.596	S	S	*	*			trans	-72.6	70.8	-171.2	-166.7	167	-140.9	0	0	112.1	Y588 M592	Y588-E590 PolarHBondContact O-N 3.38Å; E590-M592 HydrophobicContact CG-SD 4.34Å; E590-M592 PolarHBondContact O-N 2.87Å
591	V	65.3	Low	72.6	Confident	97 Å²	97	111.5 Å²	111.5	59%	0.588	59%	0.591	S	S	*	*			trans	-77.4	104.2	169.4	-179.6	0	0	0	0	107.6	A589 D595	A589-V591 PolarHBondContact O-N 3.14Å; V591-D595 HydrophobicContact CG1-CB 4.41Å
592	M	77.8	Confident	73.6	Confident	91 Å²	91	112.5 Å²	112.5	45%	0.448	59%	0.588	S	S	.	*			trans	-56.8	139.8	178.6	-66.6	-62.5	-69.3	0	0	110.5	E590 E594 D595 L596	E590-M592 HydrophobicContact CG-SD 4.34Å; E590-M592 PolarHBondContact O-N 2.87Å; M592-E594 PolarHBondContact O-N 2.54Å; M592-E594 VanDerWaalsContact O-N 3.14Å; M592-D595 WeakPolarHBondContact O-CB 3.26Å; M592-D595 PolarHBondContact O-N 2.82Å; M592-L596 PolarHBondContact O-N 3.2Å
593	P	77.3	Confident	74.6	Confident	84 Å²	84	115.7 Å²	115.7	55%	0.545	60%	0.601	S	S	.	*	H	α-helix	trans	-60.8	-26	-178.8	22.9	-31	0	0	0	112.4	L596 L597	P593-L596 PolarHBondContact O-N 2.77Å; P593-L597 WeakPolarHBondContact O-CB 3.39Å; P593-L597 PolarHBondContact O-N 3.04Å
594	E	78.8	Confident	76.2	Confident	113 Å²	113	118.1 Å²	118.1	53%	0.528	60%	0.604	S	S	.	*	H	α-helix	trans	-62.5	-41.7	172.2	-65.4	67.8	-147.5	0	0	112.4	M592 L597 A598	M592-E594 PolarHBondContact O-N 2.54Å; M592-E594 VanDerWaalsContact O-N 3.14Å; E594-L597 PolarHBondContact O-N 3.18Å; E594-A598 WeakPolarHBondContact O-CB 3.17Å; E594-A598 PolarHBondContact O-N 2.74Å
595	D	88.2	Confident	77.7	Confident	101 Å²	101	116 Å²	116	54%	0.54	59%	0.594	S	S	.	*	H	α-helix	trans	-68.1	-38.9	176.6	-72.9	-38.8	0	0	0	111.2	V591 M592 L597 K599	V591-D595 HydrophobicContact CG1-CB 4.41Å; M592-D595 WeakPolarHBondContact O-CB 3.26Å; M592-D595 PolarHBondContact O-N 2.82Å; D595-L597 VanDerWaalsContact C-N 3.35Å; D595-K599 WeakPolarHBondContact O-CB 3.39Å; D595-K599 PolarHBondContact O-N 2.95Å
596	L	90	Very high	79.9	Confident	117 Å²	117	114.3 Å²	114.3	61%	0.613	58%	0.584	S	S	*	*	H	α-helix	trans	-63.8	-42.5	175.3	-165.3	75.7	0	0	0	110.9	M592 P593 A600	M592-L596 PolarHBondContact O-N 3.2Å; P593-L596 PolarHBondContact O-N 2.77Å; L596-A600 WeakPolarHBondContact O-CB 3.36Å; L596-A600 PolarHBondContact O-N 3.42Å
597	L	90.3	Very high	82.1	Confident	107 Å²	107	108.2 Å²	108.2	56%	0.56	57%	0.572	S	S	*	*	H	α-helix	trans	-66.1	-47.2	176.4	178.1	60.3	0	0	0	111.9	P593 E594 D595 K599 A600 L601	P593-L597 WeakPolarHBondContact O-CB 3.39Å; P593-L597 PolarHBondContact O-N 3.04Å; E594-L597 PolarHBondContact O-N 3.18Å; D595-L597 VanDerWaalsContact C-N 3.35Å; L597-K599 VanDerWaalsContact C-N 3.3Å; L597-K599 PolarHBondContact O-N 2.91Å; L597-A600 WeakPolarHBondContact O-CB 3.27Å; L597-A600 PolarHBondContact O-N 3.47Å; L597-A600 VanDerWaalsContact O-N 3.12Å; L597-L601 HydrophobicContact CD1-CD1 4.26Å; L597-L601 HydrophobicContact CD1-CG 4.29Å; L597-L601 HydrophobicContact CG-CD1 4.17Å; L597-L601 WeakPolarHBondContact O-CG 3.36Å; L597-L601 PolarHBondContact O-N 3.44Å
598	A	92.5	Very high	84.3	Confident	56 Å²	56	106.5 Å²	106.5	46%	0.463	56%	0.555	S	S	.	*	H	α-helix	trans	-57.8	-44.4	176.4	0	0	0	0	0	111.3	E594 A600 L601 E602	E594-A598 WeakPolarHBondContact O-CB 3.17Å; E594-A598 PolarHBondContact O-N 2.74Å; A598-A600 VanDerWaalsContact C-N 3.33Å; A598-A600 PolarHBondContact O-N 2.8Å; A598-L601 PolarHBondContact O-N 2.9Å; A598-E602 WeakPolarHBondContact O-CB 3.23Å; A598-E602 PolarHBondContact O-N 2.85Å
599	K	93.9	Very high	86.4	Confident	130 Å²	130	98.3 Å²	98.3	57%	0.565	53%	0.53	S	S	*	.	H	α-helix	trans	-68.4	-27.6	177	-163.9	171.3	-165.9	166.1	0	113.3	D595 L597 K603	D595-K599 WeakPolarHBondContact O-CB 3.39Å; D595-K599 PolarHBondContact O-N 2.95Å; L597-K599 VanDerWaalsContact C-N 3.3Å; L597-K599 PolarHBondContact O-N 2.91Å; K599-K603 WeakPolarHBondContact O-CG 3.49Å; K599-K603 PolarHBondContact O-N 2.79Å
600	A	93.1	Very high	88.4	Confident	54 Å²	54	99 Å²	99	45%	0.446	53%	0.527	S	S	.	.	H	α-helix	trans	-73.2	-44.4	171.2	0	0	0	0	0	111.7	L596 L597 A598 K603 L604	L596-A600 WeakPolarHBondContact O-CB 3.36Å; L596-A600 PolarHBondContact O-N 3.42Å; L597-A600 WeakPolarHBondContact O-CB 3.27Å; L597-A600 PolarHBondContact O-N 3.47Å; L597-A600 VanDerWaalsContact O-N 3.12Å; A598-A600 VanDerWaalsContact C-N 3.33Å; A598-A600 PolarHBondContact O-N 2.8Å; A600-K603 PolarHBondContact O-N 2.89Å; A600-L604 WeakPolarHBondContact O-CB 3.1Å; A600-L604 PolarHBondContact O-N 3.08Å
601	L	94.6	Very high	90	Very high	99 Å²	99	95.1 Å²	95.1	52%	0.518	51%	0.511	S	S	.	.	H	α-helix	trans	-64.3	-42.2	176.5	-68.8	171.1	0	0	0	111.9	L597 A598 K603 L604 Q605	L597-L601 HydrophobicContact CD1-CD1 4.26Å; L597-L601 HydrophobicContact CD1-CG 4.29Å; L597-L601 HydrophobicContact CG-CD1 4.17Å; L597-L601 WeakPolarHBondContact O-CG 3.36Å; L597-L601 PolarHBondContact O-N 3.44Å; A598-L601 PolarHBondContact O-N 2.9Å; L601-K603 VanDerWaalsContact C-N 3.35Å; L601-K603 PolarHBondContact O-N 3.26Å; L601-L604 PolarHBondContact O-N 3.18Å; L601-Q605 WeakPolarHBondContact O-CB 3.36Å; L601-Q605 PolarHBondContact O-N 3.12Å
602	E	94.9	Very high	91.3	Very high	87 Å²	87	96.3 Å²	96.3	41%	0.407	51%	0.505	S	S	.	.	H	α-helix	trans	-58.3	-45.1	174	-169.4	-152.5	178	0	0	111.5	A598 Q605 K606	A598-E602 WeakPolarHBondContact O-CB 3.23Å; A598-E602 PolarHBondContact O-N 2.85Å; E602-Q605 PolarHBondContact O-N 3.22Å; E602-K606 HydrophobicContact CG-CD 4.5Å; E602-K606 WeakPolarHBondContact O-CB 3.19Å; E602-K606 WeakPolarHBondContact O-CG 3.43Å; E602-K606 PolarHBondContact O-N 2.83Å; E602-K606 VanDerWaalsContact OE1-CE 3.25Å; E602-K606 WeakPolarHBondContact OE1-CE 3.49Å; E602-K606 IonicContact OE1-NZ 2.71Å; E602-K606 PolarHBondContact OE1-NZ 2.91Å
603	K	95.9	Very high	91.8	Very high	139 Å²	139	97.5 Å²	97.5	60%	0.604	51%	0.509	S	S	*	.	H	α-helix	trans	-64.3	-40.6	175.4	-79.1	179.6	174.6	-172.6	0	112.5	K599 A600 L601 K606 A607	K599-K603 WeakPolarHBondContact O-CG 3.49Å; K599-K603 PolarHBondContact O-N 2.79Å; A600-K603 PolarHBondContact O-N 2.89Å; L601-K603 VanDerWaalsContact C-N 3.35Å; L601-K603 PolarHBondContact O-N 3.26Å; K603-K606 PolarHBondContact O-N 2.91Å; K603-A607 WeakPolarHBondContact O-CB 3.29Å; K603-A607 PolarHBondContact O-N 2.77Å
604	L	96.1	Very high	92.4	Very high	118 Å²	118	97.3 Å²	97.3	62%	0.618	51%	0.507	S	S	*	.	H	α-helix	trans	-63.9	-43.9	177	-178.5	61.2	0	0	0	111.5	A600 L601 A607 D608	A600-L604 WeakPolarHBondContact O-CB 3.1Å; A600-L604 PolarHBondContact O-N 3.08Å; L601-L604 PolarHBondContact O-N 3.18Å; L604-A607 PolarHBondContact O-N 2.91Å; L604-D608 PolarHBondContact O-N 3.17Å
605	Q	94.8	Very high	92.9	Very high	134 Å²	134	97.9 Å²	97.9	63%	0.626	51%	0.508	S	S	*	.	H	α-helix	trans	-62.8	-42.7	175.8	-167.8	-176.2	28.9	0	0	111.7	L601 E602 D608 C609	L601-Q605 WeakPolarHBondContact O-CB 3.36Å; L601-Q605 PolarHBondContact O-N 3.12Å; E602-Q605 PolarHBondContact O-N 3.22Å; Q605-D608 PolarHBondContact O-N 3.05Å; Q605-C609 PolarHBondContact O-N 3.33Å; Q605-C609 PolarHBondContact O-SG 2.89Å
606	K	95.7	Very high	92.7	Very high	119 Å²	119	99.7 Å²	99.7	52%	0.517	51%	0.511	S	S	.	.	H	α-helix	trans	-61.9	-41.4	173.9	-75	175.1	-179.4	175	0	112.1	E602 K603 C609 V610	E602-K606 HydrophobicContact CG-CD 4.5Å; E602-K606 WeakPolarHBondContact O-CB 3.19Å; E602-K606 WeakPolarHBondContact O-CG 3.43Å; E602-K606 PolarHBondContact O-N 2.83Å; E602-K606 VanDerWaalsContact OE1-CE 3.25Å; E602-K606 WeakPolarHBondContact OE1-CE 3.49Å; E602-K606 IonicContact OE1-NZ 2.71Å; E602-K606 PolarHBondContact OE1-NZ 2.91Å; K603-K606 PolarHBondContact O-N 2.91Å; K606-C609 PolarHBondContact O-N 3.29Å; K606-V610 WeakPolarHBondContact O-CG2 3.29Å; K606-V610 PolarHBondContact O-N 3.06Å; K606-V610 VanDerWaalsContact O-N 3.12Å
607	A	94.3	Very high	92	Very high	49 Å²	49	99.6 Å²	99.6	41%	0.405	51%	0.51	S	S	.	.	H	α-helix	trans	-62.8	-43.2	176.4	0	0	0	0	0	112.3	K603 L604 V610 L611	K603-A607 WeakPolarHBondContact O-CB 3.29Å; K603-A607 PolarHBondContact O-N 2.77Å; L604-A607 PolarHBondContact O-N 2.91Å; A607-V610 PolarHBondContact O-N 3.3Å; A607-L611 WeakPolarHBondContact O-CG 3.19Å; A607-L611 PolarHBondContact O-N 3.45Å
608	D	94.3	Very high	91.3	Very high	65 Å²	65	102.5 Å²	102.5	35%	0.348	52%	0.518	S	S	.	.	H	α-helix	trans	-66.1	-38.1	176	174.7	68.9	0	0	0	112.9	L604 Q605 V610 L611 R612	L604-D608 PolarHBondContact O-N 3.17Å; Q605-D608 PolarHBondContact O-N 3.05Å; D608-V610 PolarHBondContact O-N 3.07Å; D608-L611 PolarHBondContact O-N 2.85Å; D608-R612 PolarHBondContact O-N 2.82Å; D608-R612 IonicContact OD1-NE 2.73Å; D608-R612 IonicContact OD2-CZ 3.87Å; D608-R612 IonicContact OD2-NE 3.56Å; D608-R612 PolarHBondContact OD2-NE 3.42Å; D608-R612 IonicContact OD2-NH2 4Å; D608-R612 PolarHBondContact OD2-NH2 3.46Å
609	C	93.9	Very high	90.2	Very high	54 Å²	54	105.2 Å²	105.2	37%	0.365	52%	0.524	S	S	.	.	H	α-helix	trans	-55.8	-49.6	171.5	-74.5	0	0	0	0	111.5	Q605 K606 L611 R612 E613	Q605-C609 PolarHBondContact O-N 3.33Å; Q605-C609 PolarHBondContact O-SG 2.89Å; K606-C609 PolarHBondContact O-N 3.29Å; C609-L611 PolarHBondContact O-N 3.44Å; C609-R612 PolarHBondContact O-N 3.12Å; C609-R612 PolarHBondContact SG-NH2 3.02Å; C609-R612 VanDerWaalsContact SG-NH2 3.36Å; C609-E613 PolarHBondContact O-N 2.63Å
610	V	94.9	Very high	88.6	Confident	85 Å²	85	102.8 Å²	102.8	52%	0.515	52%	0.52	S	S	.	.	H	α-helix	trans	-61.8	-42	176.4	174.1	0	0	0	0	111.5	K606 A607 D608 R612 E613 V614	K606-V610 WeakPolarHBondContact O-CG2 3.29Å; K606-V610 PolarHBondContact O-N 3.06Å; K606-V610 VanDerWaalsContact O-N 3.12Å; A607-V610 PolarHBondContact O-N 3.3Å; D608-V610 PolarHBondContact O-N 3.07Å; V610-R612 VanDerWaalsContact C-N 3.32Å; V610-R612 PolarHBondContact O-N 3.02Å; V610-E613 PolarHBondContact O-N 3.37Å; V610-V614 HydrophobicContact CG1-CG2 4.29Å; V610-V614 WeakPolarHBondContact O-CG2 3.3Å; V610-V614 PolarHBondContact O-N 2.86Å
611	L	92.7	Very high	87.1	Confident	98 Å²	98	108 Å²	108	51%	0.513	53%	0.532	S	S	.	.	H	α-helix	trans	-62.9	-36.1	176.2	-72.9	170.8	0	0	0	112.5	A607 D608 C609 K615	A607-L611 WeakPolarHBondContact O-CG 3.19Å; A607-L611 PolarHBondContact O-N 3.45Å; D608-L611 PolarHBondContact O-N 2.85Å; C609-L611 PolarHBondContact O-N 3.44Å; L611-K615 WeakPolarHBondContact O-CB 3.44Å; L611-K615 WeakPolarHBondContact O-CD 3.39Å; L611-K615 WeakPolarHBondContact O-CG 3.27Å; L611-K615 PolarHBondContact O-N 3.46Å
612	R	92.4	Very high	85.4	Confident	122 Å²	122	110.8 Å²	110.8	46%	0.46	54%	0.54	S	S	.	.	H	α-helix	trans	-67.2	-37.3	173.1	-79.9	-174.8	-83.7	138.5	0.7	112.1	D608 C609 V610 K615 K616	D608-R612 PolarHBondContact O-N 2.82Å; D608-R612 IonicContact OD1-NE 2.73Å; D608-R612 IonicContact OD2-CZ 3.87Å; D608-R612 IonicContact OD2-NE 3.56Å; D608-R612 PolarHBondContact OD2-NE 3.42Å; D608-R612 IonicContact OD2-NH2 4Å; D608-R612 PolarHBondContact OD2-NH2 3.46Å; C609-R612 PolarHBondContact O-N 3.12Å; C609-R612 PolarHBondContact SG-NH2 3.02Å; C609-R612 VanDerWaalsContact SG-NH2 3.36Å; V610-R612 VanDerWaalsContact C-N 3.32Å; V610-R612 PolarHBondContact O-N 3.02Å; R612-K615 PolarHBondContact O-N 3.23Å; R612-K616 WeakPolarHBondContact O-CG 3.39Å; R612-K616 PolarHBondContact O-N 2.98Å
613	E	90.3	Very high	83.6	Confident	116 Å²	116	116.9 Å²	116.9	54%	0.542	56%	0.56	S	S	.	*	H	α-helix	trans	-70.4	-43.8	175.1	-68.3	-172.1	149.8	0	0	112.8	C609 V610 K615 K616 L617	C609-E613 PolarHBondContact O-N 2.63Å; V610-E613 PolarHBondContact O-N 3.37Å; E613-K615 VanDerWaalsContact C-N 3.27Å; E613-K615 PolarHBondContact O-N 3.28Å; E613-K616 WeakPolarHBondContact O-CB 3.47Å; E613-K616 PolarHBondContact O-N 3.1Å; E613-K616 VanDerWaalsContact O-N 3.11Å; E613-L617 WeakPolarHBondContact O-CG 3.46Å; E613-L617 PolarHBondContact O-N 3.04Å
614	V	89.4	Confident	81.6	Confident	81 Å²	81	118.6 Å²	118.6	49%	0.491	57%	0.572	S	S	.	*	H	α-helix	trans	-60	-38.1	173.1	172.4	0	0	0	0	111.2	V610 L617 K618	V610-V614 HydrophobicContact CG1-CG2 4.29Å; V610-V614 WeakPolarHBondContact O-CG2 3.3Å; V610-V614 PolarHBondContact O-N 2.86Å; V614-L617 PolarHBondContact O-N 3.45Å; V614-K618 WeakPolarHBondContact O-CB 3.39Å; V614-K618 PolarHBondContact O-N 3.29Å
615	K	87.8	Confident	79.4	Confident	125 Å²	125	117.1 Å²	117.1	54%	0.543	57%	0.571	S	S	.	*	H	α-helix	trans	-62.6	-46.5	171.9	-75.2	165.6	-175.2	172.9	0	111.8	L611 R612 E613 L617 K618 I619	L611-K615 WeakPolarHBondContact O-CB 3.44Å; L611-K615 WeakPolarHBondContact O-CD 3.39Å; L611-K615 WeakPolarHBondContact O-CG 3.27Å; L611-K615 PolarHBondContact O-N 3.46Å; R612-K615 PolarHBondContact O-N 3.23Å; E613-K615 VanDerWaalsContact C-N 3.27Å; E613-K615 PolarHBondContact O-N 3.28Å; K615-L617 PolarHBondContact O-N 2.96Å; K615-K618 PolarHBondContact O-N 3.16Å; K615-I619 WeakPolarHBondContact O-CD1 3.4Å; K615-I619 VanDerWaalsContact O-CG1 3.3Å; K615-I619 WeakPolarHBondContact O-CG1 3.45Å; K615-I619 PolarHBondContact O-N 2.93Å
616	K	84.6	Confident	76.8	Confident	139 Å²	139	124.7 Å²	124.7	60%	0.604	59%	0.594	S	S	*	*	H	α-helix	trans	-57.4	-48.5	174.6	-71.7	170	-177.6	177	0	111.7	R612 E613 K618 I619 T620	R612-K616 WeakPolarHBondContact O-CG 3.39Å; R612-K616 PolarHBondContact O-N 2.98Å; E613-K616 WeakPolarHBondContact O-CB 3.47Å; E613-K616 PolarHBondContact O-N 3.1Å; E613-K616 VanDerWaalsContact O-N 3.11Å; K616-K618 VanDerWaalsContact C-N 3.34Å; K616-K618 PolarHBondContact O-N 3.18Å; K616-I619 PolarHBondContact O-N 3.32Å; K616-I619 VanDerWaalsContact O-N 3.15Å; K616-T620 PolarHBondContact O-N 3.48Å; K616-T620 PolarHBondContact O-OG1 2.85Å
617	L	75.4	Confident	75.9	Confident	115 Å²	115	125 Å²	125	60%	0.602	60%	0.598	S	S	*	*	H	α-helix	trans	-62.1	-37.2	178.3	-71.9	165.8	0	0	0	112.8	E613 V614 K615 I619 T620 K621	E613-L617 WeakPolarHBondContact O-CG 3.46Å; E613-L617 PolarHBondContact O-N 3.04Å; V614-L617 PolarHBondContact O-N 3.45Å; K615-L617 PolarHBondContact O-N 2.96Å; L617-I619 VanDerWaalsContact C-N 3.35Å; L617-T620 WeakPolarHBondContact CA-OG1 3.48Å; L617-T620 PolarHBondContact O-OG1 2.94Å; L617-T620 VanDerWaalsContact O-OG1 3.13Å; L617-K621 VanDerWaalsContact O-CB 3.27Å; L617-K621 WeakPolarHBondContact O-CB 3.47Å; L617-K621 PolarHBondContact O-N 2.75Å
618	K	75	Confident	74.9	Confident	168 Å²	168	128.9 Å²	128.9	73%	0.73	61%	0.608	S	S	*	*	H	α-helix	trans	-68.5	-33.3	175.3	-166.9	171.4	-176.7	176.5	0	112.2	V614 K615 K616 K622	V614-K618 WeakPolarHBondContact O-CB 3.39Å; V614-K618 PolarHBondContact O-N 3.29Å; K615-K618 PolarHBondContact O-N 3.16Å; K616-K618 VanDerWaalsContact C-N 3.34Å; K616-K618 PolarHBondContact O-N 3.18Å; K618-K622 PolarHBondContact O-N 3.13Å
619	I	69.7	Low	73.8	Confident	113 Å²	113	132.5 Å²	132.5	58%	0.579	62%	0.623	S	S	*	*	H	α-helix	trans	-73.2	-44.7	175.9	-67.2	162.7	0	0	0	111.1	K615 K616 L617 K622 R623	K615-I619 WeakPolarHBondContact O-CD1 3.4Å; K615-I619 VanDerWaalsContact O-CG1 3.3Å; K615-I619 WeakPolarHBondContact O-CG1 3.45Å; K615-I619 PolarHBondContact O-N 2.93Å; K616-I619 PolarHBondContact O-N 3.32Å; K616-I619 VanDerWaalsContact O-N 3.15Å; L617-I619 VanDerWaalsContact C-N 3.35Å; I619-K622 PolarHBondContact O-N 2.83Å; I619-R623 PolarHBondContact O-N 2.9Å
620	T	61.3	Low	72.6	Confident	78 Å²	78	137.1 Å²	137.1	48%	0.479	64%	0.638	S	S	.	*	H	α-helix	trans	-66.5	-39.5	176.9	53.6	0	0	0	0	111.9	K616 L617 K622 R623 M624	K616-T620 PolarHBondContact O-N 3.48Å; K616-T620 PolarHBondContact O-OG1 2.85Å; L617-T620 WeakPolarHBondContact CA-OG1 3.48Å; L617-T620 PolarHBondContact O-OG1 2.94Å; L617-T620 VanDerWaalsContact O-OG1 3.13Å; T620-K622 VanDerWaalsContact C-N 3.26Å; T620-K622 PolarHBondContact O-N 2.64Å; T620-R623 WeakPolarHBondContact O-CA 3.28Å; T620-R623 WeakPolarHBondContact O-CB 3.47Å; T620-R623 PolarHBondContact O-N 2.83Å; T620-M624 PolarHBondContact O-N 2.86Å
621	K	60.4	Low	71.2	Confident	164 Å²	164	140.4 Å²	140.4	71%	0.713	65%	0.646	S	S	*	*	H	α-helix	trans	-59.6	-33.6	173.2	-172.8	167.2	-176.5	171.1	0	113	L617 R623 M624	L617-K621 VanDerWaalsContact O-CB 3.27Å; L617-K621 WeakPolarHBondContact O-CB 3.47Å; L617-K621 PolarHBondContact O-N 2.75Å; K621-R623 VanDerWaalsContact C-N 3.3Å; K621-M624 PolarHBondContact O-N 2.59Å
622	K	59.5	Low	69.8	Low	158 Å²	158	143.2 Å²	143.2	69%	0.687	65%	0.654	S	S	*	*	H	α-helix	trans	-73.1	-18.9	173.7	-167.8	177.1	178.4	-174.8	0	113.4	K618 I619 T620	K618-K622 PolarHBondContact O-N 3.13Å; I619-K622 PolarHBondContact O-N 2.83Å; T620-K622 VanDerWaalsContact C-N 3.26Å; T620-K622 PolarHBondContact O-N 2.64Å
623	R	56.4	Low	68.2	Low	215 Å²	215	144.7 Å²	144.7	81%	0.811	67%	0.668	S	S	*	*	H	α-helix	trans	-89.1	-13.9	173.7	-90.9	-174.3	166.6	-178.9	-4.1	114.3	I619 T620 K621	I619-R623 PolarHBondContact O-N 2.9Å; T620-R623 WeakPolarHBondContact O-CA 3.28Å; T620-R623 WeakPolarHBondContact O-CB 3.47Å; T620-R623 PolarHBondContact O-N 2.83Å; K621-R623 VanDerWaalsContact C-N 3.3Å
624	M	54.3	Low	66.5	Low	175 Å²	175	146.9 Å²	146.9	86%	0.862	68%	0.678	S	S	*	*	S	Bend	trans	-103.4	23	176.1	-72.1	-178.2	152.2	0	0	112.8	T620 K621	T620-M624 PolarHBondContact O-N 2.86Å; K621-M624 PolarHBondContact O-N 2.59Å
625	S	50.9	Low	64.6	Low	86 Å²	86	152.4 Å²	152.4	60%	0.601	69%	0.694	S	S	*	*			trans	-129.9	38.8	177.6	76	0	0	0	0	111.7
626	W	39.5	Very low	62.5	Low	293 Å²	293	154.9 Å²	154.9	100%	1.11	71%	0.707	S	S	*	*			trans	-137.9	0	175.6	-82.9	71.9	0	0	0	107.4

Retrieved 626 of 626 residues in 76.1 ms (Link to these results)

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