A0A2K5UNB8_MACFA Loading...

Zinc finger protein 770

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A2K5UNB8, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene ZNF770, Length 690 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	49.2	Very low	43.4	Very low	222 Å²	222	134.3 Å²	134.3	100%	1.094	68%	0.684	S	S	*	*				0	61.3	0	-56.7	171.7	-171.5	0	0	111.7
2	M	45	Very low	43.3	Very low	169 Å²	169	132.8 Å²	132.8	83%	0.833	68%	0.676	S	S	*	*			trans	-126.8	-15.3	-179.4	-72	-169.7	177.3	0	0	115.6
3	A	45.6	Very low	43.1	Very low	85 Å²	85	136.1 Å²	136.1	70%	0.702	68%	0.683	S	S	*	*	H	α-helix	trans	-71.2	-40.8	179.7	0	0	0	0	0	113.8	N5 N6	A3-N5 VanDerWaalsContact C-N 3.32Å; A3-N5 PolarHBondContact O-N 2.96Å; A3-N6 PolarHBondContact O-N 3.24Å
4	E	43.4	Very low	43	Very low	132 Å²	132	139.3 Å²	139.3	62%	0.617	70%	0.695	S	S	*	*	H	α-helix	trans	-66.1	-27.5	-170.3	-64.4	-173.9	93	0	0	114.9	N6 L7 K8	E4-N6 VanDerWaalsContact C-N 3.35Å; E4-L7 PolarHBondContact O-N 2.82Å; E4-K8 PolarHBondContact O-N 3.12Å
5	N	42.2	Very low	42.4	Very low	105 Å²	105	137.9 Å²	137.9	56%	0.561	70%	0.702	S	S	*	*	H	α-helix	trans	-70.1	-33	-178.5	-74.1	-22	0	0	0	111.9	A3 K8 M9	A3-N5 VanDerWaalsContact C-N 3.32Å; A3-N5 PolarHBondContact O-N 2.96Å; N5-K8 PolarHBondContact O-N 3.26Å; N5-M9 PolarHBondContact O-N 3.46Å
6	N	41.6	Very low	42.4	Very low	111 Å²	111	137.2 Å²	137.2	59%	0.594	71%	0.706	S	S	*	*	H	α-helix	trans	-71.3	-36.3	177.1	-71	-30.1	0	0	0	112	A3 E4 K8 M9 L10	A3-N6 PolarHBondContact O-N 3.24Å; E4-N6 VanDerWaalsContact C-N 3.35Å; N6-K8 VanDerWaalsContact C-N 3.31Å; N6-K8 PolarHBondContact O-N 3.5Å; N6-M9 PolarHBondContact O-N 3.35Å; N6-L10 PolarHBondContact O-N 3Å; N6-L10 VanDerWaalsContact O-N 3.1Å
7	L	44	Very low	42.6	Very low	117 Å²	117	137 Å²	137	61%	0.613	71%	0.712	S	S	*	*	H	α-helix	trans	-65.1	-35	176.2	-162.1	71.3	0	0	0	112.2	E4 K11	E4-L7 PolarHBondContact O-N 2.82Å; L7-K11 PolarHBondContact O-N 2.83Å
8	K	45.1	Very low	42.7	Very low	127 Å²	127	133.9 Å²	133.9	55%	0.552	71%	0.71	S	S	*	*	H	α-helix	trans	-70.7	-33.4	174.1	-73.6	168.9	-178.3	159.7	0	112.7	E4 N5 N6	E4-K8 PolarHBondContact O-N 3.12Å; N5-K8 PolarHBondContact O-N 3.26Å; N6-K8 VanDerWaalsContact C-N 3.31Å; N6-K8 PolarHBondContact O-N 3.5Å
9	M	39	Very low	42.5	Very low	121 Å²	121	133.9 Å²	133.9	60%	0.596	71%	0.71	S	S	*	*	H	α-helix	trans	-70.8	-39.6	175.8	-76.6	-88.7	73.4	0	0	113.1	N5 N6 I12	N5-M9 PolarHBondContact O-N 3.46Å; N6-M9 PolarHBondContact O-N 3.35Å; M9-I12 HydrophobicContact CE-CD1 3.93Å; M9-I12 PolarHBondContact O-N 3.11Å
10	L	40.3	Very low	42.6	Very low	121 Å²	121	136.5 Å²	136.5	63%	0.634	72%	0.715	S	S	*	*	H	α-helix	trans	-66.1	-41.4	-179.5	-83.5	163.1	0	0	0	113	N6 I12 K13	N6-L10 PolarHBondContact O-N 3Å; N6-L10 VanDerWaalsContact O-N 3.1Å; L10-I12 PolarHBondContact O-N 3.41Å; L10-I12 VanDerWaalsContact O-N 3.09Å; L10-K13 PolarHBondContact O-N 3.29Å; L10-K13 VanDerWaalsContact O-N 3.09Å
11	K	41.6	Very low	42.3	Very low	167 Å²	167	138.1 Å²	138.1	73%	0.726	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-12	178.1	-77	-171.6	173.6	-178.4	0	114.7	L7	L7-K11 PolarHBondContact O-N 2.83Å
12	I	43.1	Very low	42	Very low	116 Å²	116	132.8 Å²	132.8	60%	0.595	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-18.9	176.1	-66.9	170.8	0	0	0	112	M9 L10	M9-I12 HydrophobicContact CE-CD1 3.93Å; M9-I12 PolarHBondContact O-N 3.11Å; L10-I12 PolarHBondContact O-N 3.41Å; L10-I12 VanDerWaalsContact O-N 3.09Å
13	K	40.5	Very low	42.1	Very low	176 Å²	176	134.9 Å²	134.9	77%	0.765	70%	0.704	S	S	*	*	S	Bend	trans	-83.2	-9.1	-175.7	-84.8	-169.8	172.9	-176.8	0	116.4	L10	L10-K13 PolarHBondContact O-N 3.29Å; L10-K13 VanDerWaalsContact O-N 3.09Å
14	Q	41.2	Very low	42.3	Very low	181 Å²	181	138 Å²	138	85%	0.846	71%	0.709	S	S	*	*	S	Bend	trans	-106.9	-4.5	-174.8	-87.9	-178.3	-25	0	0	116.6
15	C	34.4	Very low	42.9	Very low	119 Å²	119	137.2 Å²	137.2	80%	0.804	70%	0.7	S	S	*	*			trans	-111.7	41.3	176.5	-71.6	0	0	0	0	113.3	V17	C15-V17 PolarHBondContact O-N 3.29Å
16	V	42.6	Very low	44	Very low	126 Å²	126	136.7 Å²	136.7	76%	0.764	70%	0.702	S	S	*	*			trans	-94	69.9	171.8	-171.4	0	0	0	0	110.2
17	V	45.3	Very low	45.1	Very low	134 Å²	134	135.9 Å²	135.9	81%	0.812	69%	0.692	S	S	*	*			trans	-129.3	112.6	164.8	-176.5	0	0	0	0	109.2	C15	C15-V17 PolarHBondContact O-N 3.29Å
18	A	45.2	Very low	46.2	Very low	81 Å²	81	132.3 Å²	132.3	67%	0.669	68%	0.675	S	S	*	*	S	Bend	trans	43.8	84.8	165.3	0	0	0	0	0	118.5
19	N	38.2	Very low	47.7	Very low	134 Å²	134	126.2 Å²	126.2	72%	0.717	65%	0.648	S	S	*	*				173.4	125.3	103.5	-96.6	-79.7	0	0	0	114.3
20	K	43.8	Very low	48.9	Very low	186 Å²	186	126.2 Å²	126.2	81%	0.809	65%	0.651	S	S	*	*			trans	36.6	96.8	146.3	-67.3	164.1	-176.4	154.4	0	118
21	L	36.6	Very low	50.3	Low	171 Å²	171	125.4 Å²	125.4	90%	0.895	65%	0.646	S	S	*	*			trans	-42.2	130.5	165.8	-73.5	163.1	0	0	0	113.3
22	P	42.8	Very low	51.9	Low	109 Å²	109	119.5 Å²	119.5	71%	0.708	63%	0.625	S	S	*	*			trans	-62.5	142.1	168.1	-21.5	33.5	0	0	0	111.8	N24	P22-N24 PolarHBondContact O-N 3.49Å
23	R	47	Very low	53	Low	214 Å²	214	121 Å²	121	81%	0.808	63%	0.628	S	S	*	*			trans	-69.7	115.9	168.4	-73.3	-174.8	175.6	-166	-2.3	109.4	R25	R23-R25 PolarHBondContact O-N 2.97Å
24	N	51.4	Low	54.7	Low	151 Å²	151	117.4 Å²	117.4	81%	0.807	61%	0.612	S	S	*	*			trans	-51.8	120.2	176.6	-71.6	-16.8	0	0	0	111.3	P22	P22-N24 PolarHBondContact O-N 3.49Å
25	R	55.1	Low	56	Low	115 Å²	115	114 Å²	114	43%	0.434	60%	0.596	S	S	.	*			trans	-133.4	74.3	176.7	-75.5	-173.3	166.6	171.2	-3.3	109.3	R23 Y27 H35 F36 E37	R23-R25 PolarHBondContact O-N 2.97Å; R25-Y27 PolarHBondContact O-N 2.99Å; R25-H35 HydrophobicContact CB-CB 3.86Å; R25-F36 CarbonylContact C-O 3.47Å; R25-F36 WeakPolarHBondContact CA-O 3.4Å; R25-E37 HydrophobicContact CG-CG 3.76Å; R25-E37 IonicContact CZ-OE1 3.39Å; R25-E37 VanDerWaalsContact CZ-OE1 3.32Å; R25-E37 IonicContact NE-OE1 2.98Å; R25-E37 PolarHBondContact NE-OE1 3.19Å; R25-E37 VanDerWaalsContact NE-OE1 3.11Å; R25-E37 IonicContact NH2-OE1 2.7Å; R25-E37 PolarHBondContact NH2-OE1 3.35Å
26	P	65.8	Low	58	Low	93 Å²	93	110.2 Å²	110.2	60%	0.604	57%	0.566	S	S	*	*			trans	-71.3	-13.3	-166.8	27.5	-34.3	0	0	0	114.2
27	Y	64.1	Low	59.3	Low	94 Å²	94	107.9 Å²	107.9	37%	0.369	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	101.2	-174.5	-57.1	-68.4	0	0	0	111.6	R25 H35 F36 T38 P39	R25-Y27 PolarHBondContact O-N 2.99Å; Y27-H35 CarbonylContact O-C 3.56Å; Y27-F36 PolarHBondContact N-O 3.11Å; Y27-F36 PolarHBondContact O-N 2.83Å; Y27-T38 VanDerWaalsContact CD2-C 3.42Å; Y27-P39 HydrophobicContact CD1-CG 4.15Å; Y27-P39 HydrophobicContact CD2-CG 4.38Å; Y27-P39 HydrophobicContact CE1-CG 3.71Å; Y27-P39 VanDerWaalsContact CE2-CD 3.49Å; Y27-P39 HydrophobicContact CE2-CG 3.94Å; Y27-P39 HydrophobicContact CG-CG 4.47Å
28	V	66.3	Low	60.4	Low	42 Å²	42	103.6 Å²	103.6	26%	0.255	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	143.3	179.7	-175.1	0	0	0	0	110.9	N30 F33 K34 L42	V28-N30 PolarHBondContact O-OD1 3.1Å; V28-F33 HydrophobicContact CG1-CB 4.38Å; V28-F33 HydrophobicContact CG1-CD1 4.17Å; V28-K34 WeakPolarHBondContact CA-O 3.5Å; V28-L42 VanDerWaalsContact O-CD2 3.31Å; V28-L42 WeakPolarHBondContact O-CD2 3.45Å
29	C	76.5	Confident	61.3	Low	0 Å²	0	103.2 Å²	103.2	0%	0	51%	0.511	C	S	.	.			trans	-87.8	114.4	170.9	178.6	0	0	0	0	111.6	I31 C32 F33 K34 F36 L42 H45 Y46 H49	C29-I31 PolarHBondContact O-N 3.34Å; C29-C32 PolarHBondContact O-N 3.2Å; C29-C32 VanDerWaalsContact O-N 3.11Å; C29-F33 VanDerWaalsContact O-CA 3.26Å; C29-F33 WeakPolarHBondContact O-CA 3.25Å; C29-F33 PolarHBondContact O-N 3.32Å; C29-K34 PolarHBondContact N-O 2.96Å; C29-F36 HydrophobicContact CB-CE2 4.06Å; C29-L42 HydrophobicContact CB-CD1 3.5Å; C29-L42 VanDerWaalsContact CB-CD1 3.5Å; C29-H45 PolarHBondContact SG-CD2 3.31Å; C29-H45 PolarHBondContact SG-NE2 3.42Å; C29-H45 VanDerWaalsContact SG-NE2 3.44Å; C29-Y46 WeakPolarHBondContact SG-CE1 3.31Å; C29-H49 PolarHBondContact SG-NE2 3.15Å; C29-H49 VanDerWaalsContact SG-NE2 3.44Å
30	N	66.1	Low	62.6	Low	121 Å²	121	100.8 Å²	100.8	65%	0.647	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-12.9	-175.3	-58.4	4.2	0	0	0	113.6	V28 Y46	V28-N30 PolarHBondContact O-OD1 3.1Å; N30-Y46 PolarHBondContact N-OH 3.1Å
31	I	68.1	Low	63.8	Low	103 Å²	103	95.4 Å²	95.4	53%	0.528	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-21.3	179.6	-58.5	173.6	0	0	0	112.4	C29 Y46 H49	C29-I31 PolarHBondContact O-N 3.34Å; I31-Y46 HydrophobicContact CD1-CD1 3.94Å; I31-Y46 HydrophobicContact CD1-CE1 3.95Å; I31-Y46 HydrophobicContact CG1-CE1 4.13Å; I31-H49 HydrophobicContact CD1-CB 3.92Å; I31-H49 HydrophobicContact CG2-CB 4.35Å
32	C	76.5	Confident	65.3	Low	44 Å²	44	88.1 Å²	88.1	30%	0.297	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.7	15.9	-179.9	74.2	0	0	0	0	116.1	C29 K34 H45	C29-C32 PolarHBondContact O-N 3.2Å; C29-C32 VanDerWaalsContact O-N 3.11Å; C32-K34 PolarHBondContact O-N 3.17Å; C32-H45 PolarHBondContact SG-NE2 2.85Å
33	F	66.5	Low	66.4	Low	147 Å²	147	85.6 Å²	85.6	65%	0.645	43%	0.432	S	S	*	.			trans	52.2	21.2	175.3	-54.8	-77.6	0	0	0	116.2	V28 C29 H35	V28-F33 HydrophobicContact CG1-CB 4.38Å; V28-F33 HydrophobicContact CG1-CD1 4.17Å; C29-F33 VanDerWaalsContact O-CA 3.26Å; C29-F33 WeakPolarHBondContact O-CA 3.25Å; C29-F33 PolarHBondContact O-N 3.32Å; F33-H35 PolarHBondContact O-CE1 3.1Å; F33-H35 PolarHBondContact O-ND1 3.06Å
34	K	74.3	Confident	67.3	Low	101 Å²	101	81 Å²	81	44%	0.439	41%	0.414	S	S	.	.			trans	-74.9	131.1	174.1	-72.3	-178.4	-177.7	178.7	0	110.6	V28 C29 C32 F36	V28-K34 WeakPolarHBondContact CA-O 3.5Å; C29-K34 PolarHBondContact N-O 2.96Å; C32-K34 PolarHBondContact O-N 3.17Å; K34-F36 HydrophobicContact CB-CE2 3.64Å; K34-F36 HydrophobicContact CB-CZ 3.83Å; K34-F36 WeakPolarHBondContact O-CD2 3.33Å; K34-F36 WeakPolarHBondContact O-CE2 3.37Å
35	H	69.1	Low	68.3	Low	109 Å²	109	74.7 Å²	74.7	51%	0.505	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	133.7	-177.3	-65.3	52	0	0	0	110.5	R25 Y27 F33	R25-H35 HydrophobicContact CB-CB 3.86Å; Y27-H35 CarbonylContact O-C 3.56Å; F33-H35 PolarHBondContact O-CE1 3.1Å; F33-H35 PolarHBondContact O-ND1 3.06Å
36	F	76.5	Confident	68.5	Low	40 Å²	40	72.2 Å²	72.2	18%	0.175	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	154.6	-176	-62.6	-85.1	0	0	0	111.8	R25 Y27 C29 K34 K41 L42 H45	R25-F36 CarbonylContact C-O 3.47Å; R25-F36 WeakPolarHBondContact CA-O 3.4Å; Y27-F36 PolarHBondContact N-O 3.11Å; Y27-F36 PolarHBondContact O-N 2.83Å; C29-F36 HydrophobicContact CB-CE2 4.06Å; K34-F36 HydrophobicContact CB-CE2 3.64Å; K34-F36 HydrophobicContact CB-CZ 3.83Å; K34-F36 WeakPolarHBondContact O-CD2 3.33Å; K34-F36 WeakPolarHBondContact O-CE2 3.37Å; F36-K41 HydrophobicContact CB-CB 4.2Å; F36-K41 HydrophobicContact CD1-CB 4.13Å; F36-L42 HydrophobicContact CB-CB 4.2Å; F36-L42 HydrophobicContact CD2-CB 4.05Å; F36-L42 HydrophobicContact CD2-CD1 3.75Å; F36-L42 HydrophobicContact CD2-CG 4.47Å; F36-L42 HydrophobicContact CE2-CD1 3.96Å; F36-L42 HydrophobicContact CG-CB 4.23Å; F36-H45 HydrophobicContact CE1-CB 3.96Å; F36-H45 HydrophobicContact CE2-CB 4.07Å; F36-H45 AromaticContact CE2-CD2 3.55Å; F36-H45 AromaticContact CE2-CG 3.75Å; F36-H45 HydrophobicContact CZ-CB 3.57Å; F36-H45 AromaticContact CZ-CD2 3.54Å; F36-H45 AromaticContact CZ-CG 3.27Å; F36-H45 AromaticContact CZ-ND1 3.69Å
37	E	69.5	Low	68.8	Low	76 Å²	76	69.3 Å²	69.3	36%	0.355	35%	0.351	S	S	.	.	S	Bend	trans	-85.4	-18.7	-174.6	-63.5	151.8	179.1	0	0	113	R25 K41	R25-E37 HydrophobicContact CG-CG 3.76Å; R25-E37 IonicContact CZ-OE1 3.39Å; R25-E37 VanDerWaalsContact CZ-OE1 3.32Å; R25-E37 IonicContact NE-OE1 2.98Å; R25-E37 PolarHBondContact NE-OE1 3.19Å; R25-E37 VanDerWaalsContact NE-OE1 3.11Å; R25-E37 IonicContact NH2-OE1 2.7Å; R25-E37 PolarHBondContact NH2-OE1 3.35Å; E37-K41 HydrophobicContact CB-CD 4.07Å; E37-K41 IonicContact OE2-NZ 2.6Å; E37-K41 PolarHBondContact OE2-NZ 3.26Å
38	T	69.4	Low	68.8	Low	45 Å²	45	69 Å²	69	28%	0.276	36%	0.355	S	S	.	.	S	Bend	trans	-147.1	157	178.7	69.6	0	0	0	0	111.3	Y27 S40 K41 L42	Y27-T38 VanDerWaalsContact CD2-C 3.42Å; T38-S40 VanDerWaalsContact C-N 3.32Å; T38-S40 PolarHBondContact O-N 2.91Å; T38-S40 PolarHBondContact OG1-OG 2.84Å; T38-K41 HydrophobicContact CG2-CD 4.33Å; T38-K41 PolarHBondContact O-N 2.93Å; T38-K41 WeakPolarHBondContact OG1-CD 3.47Å; T38-K41 VanDerWaalsContact OG1-CG 3.28Å; T38-K41 WeakPolarHBondContact OG1-CG 3.48Å; T38-K41 PolarHBondContact OG1-N 3.05Å; T38-L42 PolarHBondContact O-N 3.21Å
39	P	63.1	Low	68.6	Low	72 Å²	72	70.4 Å²	70.4	47%	0.468	36%	0.358	S	S	.	.	H	α-helix	trans	-61	-40.1	177.6	-19.4	30.6	0	0	0	112.1	Y27 K41 L42 A43	Y27-P39 HydrophobicContact CD1-CG 4.15Å; Y27-P39 HydrophobicContact CD2-CG 4.38Å; Y27-P39 HydrophobicContact CE1-CG 3.71Å; Y27-P39 VanDerWaalsContact CE2-CD 3.49Å; Y27-P39 HydrophobicContact CE2-CG 3.94Å; Y27-P39 HydrophobicContact CG-CG 4.47Å; P39-K41 VanDerWaalsContact C-N 3.32Å; P39-K41 PolarHBondContact O-N 3.32Å; P39-L42 CarbonylContact O-C 3.23Å; P39-L42 WeakPolarHBondContact O-CA 3.48Å; P39-L42 WeakPolarHBondContact O-CB 3.48Å; P39-L42 PolarHBondContact O-N 3.01Å; P39-A43 PolarHBondContact O-N 3.32Å
40	S	66.8	Low	67.9	Low	84 Å²	84	74.1 Å²	74.1	59%	0.587	38%	0.381	S	S	*	.	H	α-helix	trans	-67.3	-28	179	47.8	0	0	0	0	113.5	T38 R44	T38-S40 VanDerWaalsContact C-N 3.32Å; T38-S40 PolarHBondContact O-N 2.91Å; T38-S40 PolarHBondContact OG1-OG 2.84Å; S40-R44 VanDerWaalsContact O-CB 3.23Å; S40-R44 WeakPolarHBondContact O-CB 3.3Å; S40-R44 PolarHBondContact O-N 3.4Å
41	K	68.4	Low	67.6	Low	72 Å²	72	70.2 Å²	70.2	31%	0.313	37%	0.369	S	S	.	.	H	α-helix	trans	-68.4	-37.1	168.3	-74.6	166.3	-176	170.9	0	111.3	F36 E37 T38 P39 H45	F36-K41 HydrophobicContact CB-CB 4.2Å; F36-K41 HydrophobicContact CD1-CB 4.13Å; E37-K41 HydrophobicContact CB-CD 4.07Å; E37-K41 IonicContact OE2-NZ 2.6Å; E37-K41 PolarHBondContact OE2-NZ 3.26Å; T38-K41 HydrophobicContact CG2-CD 4.33Å; T38-K41 PolarHBondContact O-N 2.93Å; T38-K41 WeakPolarHBondContact OG1-CD 3.47Å; T38-K41 VanDerWaalsContact OG1-CG 3.28Å; T38-K41 WeakPolarHBondContact OG1-CG 3.48Å; T38-K41 PolarHBondContact OG1-N 3.05Å; P39-K41 VanDerWaalsContact C-N 3.32Å; P39-K41 PolarHBondContact O-N 3.32Å; K41-H45 WeakPolarHBondContact O-CB 3.39Å; K41-H45 PolarHBondContact O-N 2.85Å
42	L	69	Low	67.1	Low	19 Å²	19	70.9 Å²	70.9	10%	0.099	37%	0.37	C	S	.	.	H	α-helix	trans	-72.9	-46.2	176.8	171.7	59.7	0	0	0	112.7	V28 C29 F36 T38 P39 R44 H45 Y46	V28-L42 VanDerWaalsContact O-CD2 3.31Å; V28-L42 WeakPolarHBondContact O-CD2 3.45Å; C29-L42 HydrophobicContact CB-CD1 3.5Å; C29-L42 VanDerWaalsContact CB-CD1 3.5Å; F36-L42 HydrophobicContact CB-CB 4.2Å; F36-L42 HydrophobicContact CD2-CB 4.05Å; F36-L42 HydrophobicContact CD2-CD1 3.75Å; F36-L42 HydrophobicContact CD2-CG 4.47Å; F36-L42 HydrophobicContact CE2-CD1 3.96Å; F36-L42 HydrophobicContact CG-CB 4.23Å; T38-L42 PolarHBondContact O-N 3.21Å; P39-L42 CarbonylContact O-C 3.23Å; P39-L42 WeakPolarHBondContact O-CA 3.48Å; P39-L42 WeakPolarHBondContact O-CB 3.48Å; P39-L42 PolarHBondContact O-N 3.01Å; L42-R44 VanDerWaalsContact C-N 3.35Å; L42-R44 PolarHBondContact O-N 3.3Å; L42-H45 CarbonylContact O-C 3.54Å; L42-H45 VanDerWaalsContact O-CA 3.31Å; L42-H45 WeakPolarHBondContact O-CA 3.5Å; L42-H45 VanDerWaalsContact O-CB 3.28Å; L42-H45 WeakPolarHBondContact O-CB 3.25Å; L42-H45 PolarHBondContact O-N 3.36Å; L42-Y46 HydrophobicContact CD1-CD2 3.93Å; L42-Y46 HydrophobicContact CD1-CE2 3.5Å; L42-Y46 HydrophobicContact CD2-CE2 3.94Å; L42-Y46 HydrophobicContact CG-CD2 3.94Å; L42-Y46 HydrophobicContact CG-CE2 3.53Å; L42-Y46 PolarHBondContact O-N 2.95Å
43	A	64.1	Low	66.6	Low	56 Å²	56	73.6 Å²	73.6	46%	0.463	38%	0.377	S	S	.	.	H	α-helix	trans	-57.8	-46.1	175.8	0	0	0	0	0	111.8	P39 H45 Y46 L47	P39-A43 PolarHBondContact O-N 3.32Å; A43-H45 PolarHBondContact O-N 2.77Å; A43-Y46 PolarHBondContact O-N 2.86Å; A43-L47 PolarHBondContact O-N 3.48Å
44	R	66.6	Low	66.7	Low	116 Å²	116	70.5 Å²	70.5	44%	0.438	37%	0.372	S	S	.	.	H	α-helix	trans	-64.2	-18.7	173.3	-170.1	173.7	64.7	161.1	-8.6	113.5	S40 L42 Q66	S40-R44 VanDerWaalsContact O-CB 3.23Å; S40-R44 WeakPolarHBondContact O-CB 3.3Å; S40-R44 PolarHBondContact O-N 3.4Å; L42-R44 VanDerWaalsContact C-N 3.35Å; L42-R44 PolarHBondContact O-N 3.3Å; R44-Q66 HydrophobicContact CG-CG 4.1Å
45	H	71.6	Confident	66.4	Low	20 Å²	20	68.9 Å²	68.9	9%	0.093	36%	0.364	C	S	.	.	H	α-helix	trans	-85.7	-34	170.2	171.8	72.7	0	0	0	112.4	C29 C32 F36 K41 L42 A43 L47 I48 H49	C29-H45 PolarHBondContact SG-CD2 3.31Å; C29-H45 PolarHBondContact SG-NE2 3.42Å; C29-H45 VanDerWaalsContact SG-NE2 3.44Å; C32-H45 PolarHBondContact SG-NE2 2.85Å; F36-H45 HydrophobicContact CE1-CB 3.96Å; F36-H45 HydrophobicContact CE2-CB 4.07Å; F36-H45 AromaticContact CE2-CD2 3.55Å; F36-H45 AromaticContact CE2-CG 3.75Å; F36-H45 HydrophobicContact CZ-CB 3.57Å; F36-H45 AromaticContact CZ-CD2 3.54Å; F36-H45 AromaticContact CZ-CG 3.27Å; F36-H45 AromaticContact CZ-ND1 3.69Å; K41-H45 WeakPolarHBondContact O-CB 3.39Å; K41-H45 PolarHBondContact O-N 2.85Å; L42-H45 CarbonylContact O-C 3.54Å; L42-H45 VanDerWaalsContact O-CA 3.31Å; L42-H45 WeakPolarHBondContact O-CA 3.5Å; L42-H45 VanDerWaalsContact O-CB 3.28Å; L42-H45 WeakPolarHBondContact O-CB 3.25Å; L42-H45 PolarHBondContact O-N 3.36Å; A43-H45 PolarHBondContact O-N 2.77Å; H45-L47 PolarHBondContact O-N 2.8Å; H45-I48 WeakPolarHBondContact O-CB 3.48Å; H45-I48 WeakPolarHBondContact O-CG1 3.26Å; H45-I48 PolarHBondContact O-N 3.15Å; H45-H49 AromaticContact CD2-NE2 3.8Å; H45-H49 AromaticContact CE1-NE2 3.62Å; H45-H49 AromaticContact NE2-CD2 3.92Å; H45-H49 AromaticContact NE2-CE1 3.88Å; H45-H49 AromaticContact NE2-NE2 3.03Å; H45-H49 PolarHBondContact NE2-NE2 3.36Å
46	Y	61.2	Low	65.9	Low	63 Å²	63	67.7 Å²	67.7	25%	0.247	36%	0.359	C	S	.	.	H	α-helix	trans	-59.8	-33	171.8	-78.1	-61	0	0	0	112.7	C29 N30 I31 L42 A43 I48 H49 T50	C29-Y46 WeakPolarHBondContact SG-CE1 3.31Å; N30-Y46 PolarHBondContact N-OH 3.1Å; I31-Y46 HydrophobicContact CD1-CD1 3.94Å; I31-Y46 HydrophobicContact CD1-CE1 3.95Å; I31-Y46 HydrophobicContact CG1-CE1 4.13Å; L42-Y46 HydrophobicContact CD1-CD2 3.93Å; L42-Y46 HydrophobicContact CD1-CE2 3.5Å; L42-Y46 HydrophobicContact CD2-CE2 3.94Å; L42-Y46 HydrophobicContact CG-CD2 3.94Å; L42-Y46 HydrophobicContact CG-CE2 3.53Å; L42-Y46 PolarHBondContact O-N 2.95Å; A43-Y46 PolarHBondContact O-N 2.86Å; Y46-I48 PolarHBondContact O-N 3.02Å; Y46-H49 PolarHBondContact O-N 2.85Å; Y46-T50 PolarHBondContact O-N 2.89Å
47	L	70.3	Confident	65.5	Low	31 Å²	31	65.8 Å²	65.8	16%	0.162	35%	0.351	C	S	.	.	H	α-helix	trans	-57.7	-14.2	168.8	-63.1	178.1	0	0	0	114.5	A43 H45 Q52 P54 R65	A43-L47 PolarHBondContact O-N 3.48Å; H45-L47 PolarHBondContact O-N 2.8Å; L47-Q52 HydrophobicContact CD2-CB 4Å; L47-P54 HydrophobicContact CD1-CG 4.29Å; L47-P54 HydrophobicContact CD2-CG 4.22Å; L47-R65 VanDerWaalsContact O-CZ 3.27Å; L47-R65 PolarHBondContact O-NE 3.22Å; L47-R65 VanDerWaalsContact O-NE 3.15Å; L47-R65 PolarHBondContact O-NH2 2.93Å
48	I	64.4	Low	64.9	Low	89 Å²	89	67.7 Å²	67.7	46%	0.456	36%	0.363	S	S	.	.	H	α-helix	trans	-75.6	-38.6	172	-57.5	-176.1	0	0	0	110.8	H45 Y46 R65	H45-I48 WeakPolarHBondContact O-CB 3.48Å; H45-I48 WeakPolarHBondContact O-CG1 3.26Å; H45-I48 PolarHBondContact O-N 3.15Å; Y46-I48 PolarHBondContact O-N 3.02Å; I48-R65 PolarHBondContact O-NH2 3.29Å
49	H	62.1	Low	64.5	Low	70 Å²	70	70.2 Å²	70.2	32%	0.324	38%	0.379	S	S	.	.	H	α-helix	trans	-82.7	-47.4	-178.5	-56.2	-57.3	0	0	0	112.2	C29 I31 H45 Y46 G51	C29-H49 PolarHBondContact SG-NE2 3.15Å; C29-H49 VanDerWaalsContact SG-NE2 3.44Å; I31-H49 HydrophobicContact CD1-CB 3.92Å; I31-H49 HydrophobicContact CG2-CB 4.35Å; H45-H49 AromaticContact CD2-NE2 3.8Å; H45-H49 AromaticContact CE1-NE2 3.62Å; H45-H49 AromaticContact NE2-CD2 3.92Å; H45-H49 AromaticContact NE2-CE1 3.88Å; H45-H49 AromaticContact NE2-NE2 3.03Å; H45-H49 PolarHBondContact NE2-NE2 3.36Å; Y46-H49 PolarHBondContact O-N 2.85Å; H49-G51 PolarHBondContact O-N 3.45Å; H49-G51 VanDerWaalsContact O-N 3.09Å
50	T	62	Low	64.6	Low	79 Å²	79	68.3 Å²	68.3	49%	0.485	37%	0.366	S	S	.	.	S	Bend	trans	-67.9	-8.6	178.3	66.4	0	0	0	0	113.3	Y46 Q52	Y46-T50 PolarHBondContact O-N 2.89Å; T50-Q52 PolarHBondContact O-N 2.82Å; T50-Q52 PolarHBondContact OG1-OE1 3.13Å
51	G	59.6	Low	64.3	Low	38 Å²	38	70.6 Å²	70.6	39%	0.392	37%	0.368	S	S	.	.			trans	78.4	-28.6	-179.5	0	0	0	0	0	114.2	H49 R65	H49-G51 PolarHBondContact O-N 3.45Å; H49-G51 VanDerWaalsContact O-N 3.09Å; G51-R65 PolarHBondContact O-NH2 2.99Å
52	Q	58.7	Low	63.9	Low	117 Å²	117	71.9 Å²	71.9	55%	0.547	37%	0.373	S	S	.	.			trans	-48.4	149.9	-173.7	-71.1	167.7	-29.1	0	0	114.1	L47 T50	L47-Q52 HydrophobicContact CD2-CB 4Å; T50-Q52 PolarHBondContact O-N 2.82Å; T50-Q52 PolarHBondContact OG1-OE1 3.13Å
53	K	66.6	Low	63.6	Low	101 Å²	101	73.2 Å²	73.2	44%	0.439	38%	0.382	S	S	.	.			trans	-144.4	79.4	-173.7	-76.6	165.8	154.8	-143.9	0	108.8	F55 T63 F64 R65	K53-F55 PolarHBondContact O-N 2.97Å; K53-F55 VanDerWaalsContact O-N 3.12Å; K53-T63 WeakPolarHBondContact CB-OG1 3.46Å; K53-T63 WeakPolarHBondContact CD-O 3.48Å; K53-T63 WeakPolarHBondContact CD-OG1 3.1Å; K53-T63 VanDerWaalsContact CE-O 3.26Å; K53-T63 WeakPolarHBondContact CE-O 3.35Å; K53-T63 PolarHBondContact NZ-O 3.23Å; K53-T63 PolarHBondContact O-OG1 3.23Å; K53-F64 CarbonylContact C-O 3.45Å; K53-F64 WeakPolarHBondContact CA-O 3.38Å; K53-F64 WeakPolarHBondContact CB-O 3.19Å; K53-R65 HydrophobicContact CG-CG 3.73Å
54	P	68.3	Low	63.9	Low	83 Å²	83	72.8 Å²	72.8	54%	0.539	37%	0.37	S	S	.	.			trans	-68.9	-10.3	-168.9	-22	34.8	0	0	0	115.5	L47	L47-P54 HydrophobicContact CD1-CG 4.29Å; L47-P54 HydrophobicContact CD2-CG 4.22Å
55	F	66.9	Low	63.9	Low	66 Å²	66	71.1 Å²	71.1	29%	0.289	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-108.6	98.5	-172.2	-56.3	-82.2	0	0	0	109.4	K53 F64 L67 L70	K53-F55 PolarHBondContact O-N 2.97Å; K53-F55 VanDerWaalsContact O-N 3.12Å; F55-F64 HydrophobicContact CB-CB 4.21Å; F55-F64 PolarHBondContact N-O 2.92Å; F55-F64 VanDerWaalsContact N-O 3.16Å; F55-F64 WeakPolarHBondContact O-CA 3.48Å; F55-F64 WeakPolarHBondContact O-CB 3.31Å; F55-F64 PolarHBondContact O-N 2.84Å; F55-L67 HydrophobicContact CD1-CB 3.91Å; F55-L67 HydrophobicContact CD1-CD1 3.72Å; F55-L67 HydrophobicContact CD1-CG 4.43Å; F55-L67 HydrophobicContact CE1-CB 3.76Å; F55-L67 HydrophobicContact CE1-CD1 4.05Å; F55-L67 HydrophobicContact CE1-CG 4.44Å; F55-L67 HydrophobicContact CZ-CB 4.3Å; F55-L70 HydrophobicContact CB-CB 4.22Å; F55-L70 HydrophobicContact CB-CD2 4.06Å
56	E	58.3	Low	63.8	Low	85 Å²	85	72.6 Å²	72.6	40%	0.397	37%	0.371	S	S	.	.			trans	-84.9	159.9	174.1	-172.8	149.4	148	0	0	111.8	H61 T63 L70	E56-H61 WeakPolarHBondContact OE1-CA 3.37Å; E56-H61 WeakPolarHBondContact OE1-CB 3.31Å; E56-H61 IonicContact OE1-CE1 3.92Å; E56-H61 IonicContact OE1-CG 3.41Å; E56-H61 IonicContact OE1-ND1 2.75Å; E56-H61 PolarHBondContact OE1-ND1 3.21Å; E56-T63 HydrophobicContact CB-CG2 3.72Å; E56-T63 HydrophobicContact CG-CG2 3.72Å; E56-T63 WeakPolarHBondContact OE2-CG2 3.36Å; E56-L70 WeakPolarHBondContact O-CD1 3.32Å; E56-L70 WeakPolarHBondContact O-CD2 3.04Å
57	C	68.1	Low	64.2	Low	0 Å²	0	73.6 Å²	73.6	0%	0	38%	0.38	C	S	.	.			trans	-113	106.9	175.4	-177.4	0	0	0	0	109.6	V59 C60 H61 K62 F64 L70	C57-V59 PolarHBondContact O-N 3.04Å; C57-C60 CarbonylContact O-C 3.43Å; C57-C60 PolarHBondContact O-N 3.41Å; C57-H61 WeakPolarHBondContact O-CA 3.31Å; C57-H61 PolarHBondContact O-N 3.38Å; C57-K62 HydrophobicContact CB-CB 4.24Å; C57-K62 PolarHBondContact N-O 3.16Å; C57-F64 HydrophobicContact CB-CE2 4.22Å; C57-L70 HydrophobicContact CB-CD1 3.42Å; C57-L70 VanDerWaalsContact CB-CD1 3.42Å
58	D	57.3	Low	63.9	Low	115 Å²	115	76.3 Å²	76.3	62%	0.615	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-30.2	-169.9	-30.6	-76.9	0	0	0	112.9
59	V	61.3	Low	64.2	Low	99 Å²	99	75.1 Å²	75.1	60%	0.6	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-16.5	-179.7	-169.7	0	0	0	0	113.4	C57 H77	C57-V59 PolarHBondContact O-N 3.04Å; V59-H77 WeakPolarHBondContact CG1-ND1 3.45Å
60	C	66.2	Low	64.6	Low	31 Å²	31	72.3 Å²	72.3	21%	0.209	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-160.2	24.2	-178.4	71.7	0	0	0	0	117	C57 K62 H73 H77	C57-C60 CarbonylContact O-C 3.43Å; C57-C60 PolarHBondContact O-N 3.41Å; C60-K62 VanDerWaalsContact C-N 3.28Å; C60-K62 PolarHBondContact O-N 3.44Å; C60-K62 PolarHBondContact O-NZ 3.47Å; C60-K62 PolarHBondContact SG-NZ 3.48Å; C60-H73 PolarHBondContact SG-NE2 2.82Å; C60-H77 PolarHBondContact SG-NE2 2.79Å
61	H	58.4	Low	64.5	Low	133 Å²	133	72.5 Å²	72.5	62%	0.616	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	40.3	174.1	-56.3	-68.6	0	0	0	114.9	E56 C57	E56-H61 WeakPolarHBondContact OE1-CA 3.37Å; E56-H61 WeakPolarHBondContact OE1-CB 3.31Å; E56-H61 IonicContact OE1-CE1 3.92Å; E56-H61 IonicContact OE1-CG 3.41Å; E56-H61 IonicContact OE1-ND1 2.75Å; E56-H61 PolarHBondContact OE1-ND1 3.21Å; C57-H61 WeakPolarHBondContact O-CA 3.31Å; C57-H61 PolarHBondContact O-N 3.38Å
62	K	61.3	Low	64.9	Low	98 Å²	98	78 Å²	78	43%	0.426	38%	0.382	S	S	.	.			trans	-94.9	114.6	-177.2	-82.1	178.6	-161.7	64.8	0	113.3	C57 C60 F64	C57-K62 HydrophobicContact CB-CB 4.24Å; C57-K62 PolarHBondContact N-O 3.16Å; C60-K62 VanDerWaalsContact C-N 3.28Å; C60-K62 PolarHBondContact O-N 3.44Å; C60-K62 PolarHBondContact O-NZ 3.47Å; C60-K62 PolarHBondContact SG-NZ 3.48Å; K62-F64 HydrophobicContact CB-CD2 4.49Å; K62-F64 HydrophobicContact CB-CE2 3.55Å; K62-F64 HydrophobicContact CB-CZ 3.95Å; K62-F64 WeakPolarHBondContact O-CD2 3.34Å; K62-F64 WeakPolarHBondContact O-CE2 3.18Å; K62-F64 PolarHBondContact O-N 3.41Å
63	T	62.1	Low	65.3	Low	48 Å²	48	74 Å²	74	29%	0.294	36%	0.363	S	S	.	.			trans	-54.8	102.5	171	120.3	0	0	0	0	118.4	K53 E56	K53-T63 WeakPolarHBondContact CB-OG1 3.46Å; K53-T63 WeakPolarHBondContact CD-O 3.48Å; K53-T63 WeakPolarHBondContact CD-OG1 3.1Å; K53-T63 VanDerWaalsContact CE-O 3.26Å; K53-T63 WeakPolarHBondContact CE-O 3.35Å; K53-T63 PolarHBondContact NZ-O 3.23Å; K53-T63 PolarHBondContact O-OG1 3.23Å; E56-T63 HydrophobicContact CB-CG2 3.72Å; E56-T63 HydrophobicContact CG-CG2 3.72Å; E56-T63 WeakPolarHBondContact OE2-CG2 3.36Å
64	F	70.2	Confident	65.1	Low	46 Å²	46	72.5 Å²	72.5	20%	0.202	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-114.8	153.6	173.5	-61	-83.5	0	0	0	114.7	K53 F55 C57 K62 H69 L70 H73	K53-F64 CarbonylContact C-O 3.45Å; K53-F64 WeakPolarHBondContact CA-O 3.38Å; K53-F64 WeakPolarHBondContact CB-O 3.19Å; F55-F64 HydrophobicContact CB-CB 4.21Å; F55-F64 PolarHBondContact N-O 2.92Å; F55-F64 VanDerWaalsContact N-O 3.16Å; F55-F64 WeakPolarHBondContact O-CA 3.48Å; F55-F64 WeakPolarHBondContact O-CB 3.31Å; F55-F64 PolarHBondContact O-N 2.84Å; C57-F64 HydrophobicContact CB-CE2 4.22Å; K62-F64 HydrophobicContact CB-CD2 4.49Å; K62-F64 HydrophobicContact CB-CE2 3.55Å; K62-F64 HydrophobicContact CB-CZ 3.95Å; K62-F64 WeakPolarHBondContact O-CD2 3.34Å; K62-F64 WeakPolarHBondContact O-CE2 3.18Å; K62-F64 PolarHBondContact O-N 3.41Å; F64-H69 HydrophobicContact CB-CB 4.41Å; F64-H69 HydrophobicContact CD1-CB 4.03Å; F64-H69 HydrophobicContact CG-CB 4.48Å; F64-L70 HydrophobicContact CB-CB 4.44Å; F64-L70 HydrophobicContact CD2-CB 4.14Å; F64-L70 HydrophobicContact CD2-CD1 4.13Å; F64-L70 HydrophobicContact CE2-CD1 4.4Å; F64-L70 HydrophobicContact CG-CB 4.45Å; F64-H73 HydrophobicContact CE1-CB 4.34Å; F64-H73 HydrophobicContact CE2-CB 4.12Å; F64-H73 AromaticContact CE2-CD2 3.28Å; F64-H73 WeakPolarHBondContact CE2-CD2 3.41Å; F64-H73 AromaticContact CE2-CG 3.92Å; F64-H73 HydrophobicContact CZ-CB 3.75Å; F64-H73 AromaticContact CZ-CD2 3.28Å; F64-H73 WeakPolarHBondContact CZ-CD2 3.46Å; F64-H73 AromaticContact CZ-CG 3.54Å
65	R	67.8	Low	64.9	Low	82 Å²	82	73.9 Å²	73.9	31%	0.309	36%	0.36	S	S	.	.	S	Bend	trans	-91.7	-7.5	-179.8	-68.4	-172.3	164.7	170.1	-13.3	115	L47 I48 G51 K53	L47-R65 VanDerWaalsContact O-CZ 3.27Å; L47-R65 PolarHBondContact O-NE 3.22Å; L47-R65 VanDerWaalsContact O-NE 3.15Å; L47-R65 PolarHBondContact O-NH2 2.93Å; I48-R65 PolarHBondContact O-NH2 3.29Å; G51-R65 PolarHBondContact O-NH2 2.99Å; K53-R65 HydrophobicContact CG-CG 3.73Å
66	Q	69.2	Low	64.5	Low	50 Å²	50	72.8 Å²	72.8	23%	0.234	36%	0.358	C	S	.	.	S	Bend	trans	-153.8	139.8	-175.7	-55.2	-173.4	8.4	0	0	109.5	R44 V68 H69 L70	R44-Q66 HydrophobicContact CG-CG 4.1Å; Q66-V68 PolarHBondContact O-N 3.27Å; Q66-H69 HydrophobicContact CB-CB 4.47Å; Q66-H69 WeakPolarHBondContact O-CB 3.3Å; Q66-H69 PolarHBondContact O-N 3.36Å; Q66-L70 PolarHBondContact O-N 2.59Å
67	L	68.8	Low	64.7	Low	85 Å²	85	70.3 Å²	70.3	45%	0.445	35%	0.347	S	S	.	.	H	α-helix	trans	-55	-46.4	178	-168.7	66.7	0	0	0	112.4	F55 H69 L70 E71	F55-L67 HydrophobicContact CD1-CB 3.91Å; F55-L67 HydrophobicContact CD1-CD1 3.72Å; F55-L67 HydrophobicContact CD1-CG 4.43Å; F55-L67 HydrophobicContact CE1-CB 3.76Å; F55-L67 HydrophobicContact CE1-CD1 4.05Å; F55-L67 HydrophobicContact CE1-CG 4.44Å; F55-L67 HydrophobicContact CZ-CB 4.3Å; L67-H69 PolarHBondContact O-N 2.88Å; L67-L70 HydrophobicContact CD1-CD2 4.18Å; L67-L70 CarbonylContact O-C 3.5Å; L67-L70 WeakPolarHBondContact O-CA 3.48Å; L67-L70 VanDerWaalsContact O-CB 3.31Å; L67-L70 WeakPolarHBondContact O-CB 3.25Å; L67-L70 PolarHBondContact O-N 3.04Å; L67-E71 WeakPolarHBondContact CD2-OE1 3.36Å; L67-E71 HydrophobicContact CG-CG 4.26Å; L67-E71 WeakPolarHBondContact CG-OE1 3.33Å; L67-E71 WeakPolarHBondContact O-CG 3.45Å; L67-E71 PolarHBondContact O-N 3.41Å
68	V	64.4	Low	64.2	Low	87 Å²	87	74.5 Å²	74.5	53%	0.527	38%	0.376	S	S	.	.	H	α-helix	trans	-58.6	-18.1	176.1	-172.1	0	0	0	0	114.1	Q66 E71 R72	Q66-V68 PolarHBondContact O-N 3.27Å; V68-E71 WeakPolarHBondContact CA-OE2 3.15Å; V68-R72 VanDerWaalsContact O-CB 3.31Å; V68-R72 WeakPolarHBondContact O-CB 3.47Å
69	H	71.1	Confident	64.5	Low	64 Å²	64	70.3 Å²	70.3	30%	0.296	35%	0.354	S	S	.	.	H	α-helix	trans	-89.3	-27.6	172.2	-65.8	162.2	0	0	0	113.5	F64 Q66 L67 R72 H73	F64-H69 HydrophobicContact CB-CB 4.41Å; F64-H69 HydrophobicContact CD1-CB 4.03Å; F64-H69 HydrophobicContact CG-CB 4.48Å; Q66-H69 HydrophobicContact CB-CB 4.47Å; Q66-H69 WeakPolarHBondContact O-CB 3.3Å; Q66-H69 PolarHBondContact O-N 3.36Å; L67-H69 PolarHBondContact O-N 2.88Å; H69-R72 PolarHBondContact CD2-NH2 3.44Å; H69-R72 PolarHBondContact NE2-NH2 3.42Å; H69-H73 WeakPolarHBondContact O-CB 3.37Å; H69-H73 PolarHBondContact O-N 3.32Å
70	L	69.4	Low	64.3	Low	12 Å²	12	70.6 Å²	70.6	6%	0.063	36%	0.357	C	S	.	.	H	α-helix	trans	-72.6	-51	169	168.9	61.4	0	0	0	110.9	F55 E56 C57 F64 Q66 L67 R72 H73 Q74	F55-L70 HydrophobicContact CB-CB 4.22Å; F55-L70 HydrophobicContact CB-CD2 4.06Å; E56-L70 WeakPolarHBondContact O-CD1 3.32Å; E56-L70 WeakPolarHBondContact O-CD2 3.04Å; C57-L70 HydrophobicContact CB-CD1 3.42Å; C57-L70 VanDerWaalsContact CB-CD1 3.42Å; F64-L70 HydrophobicContact CB-CB 4.44Å; F64-L70 HydrophobicContact CD2-CB 4.14Å; F64-L70 HydrophobicContact CD2-CD1 4.13Å; F64-L70 HydrophobicContact CE2-CD1 4.4Å; F64-L70 HydrophobicContact CG-CB 4.45Å; Q66-L70 PolarHBondContact O-N 2.59Å; L67-L70 HydrophobicContact CD1-CD2 4.18Å; L67-L70 CarbonylContact O-C 3.5Å; L67-L70 WeakPolarHBondContact O-CA 3.48Å; L67-L70 VanDerWaalsContact O-CB 3.31Å; L67-L70 WeakPolarHBondContact O-CB 3.25Å; L67-L70 PolarHBondContact O-N 3.04Å; L70-R72 VanDerWaalsContact C-N 3.34Å; L70-R72 PolarHBondContact O-N 2.87Å; L70-H73 CarbonylContact O-C 3.45Å; L70-H73 VanDerWaalsContact O-CA 3.28Å; L70-H73 WeakPolarHBondContact O-CA 3.43Å; L70-H73 VanDerWaalsContact O-CB 3.3Å; L70-H73 WeakPolarHBondContact O-CB 3.41Å; L70-H73 PolarHBondContact O-N 3.04Å; L70-Q74 HydrophobicContact CD1-CG 4.01Å; L70-Q74 HydrophobicContact CG-CG 4.43Å; L70-Q74 PolarHBondContact O-N 2.97Å
71	E	61.6	Low	63.9	Low	82 Å²	82	72.1 Å²	72.1	38%	0.383	36%	0.361	S	S	.	.	H	α-helix	trans	-51.4	-51.6	176.2	-67.7	162.4	-171.4	0	0	111.2	L67 V68 H73 Q74 L75	L67-E71 WeakPolarHBondContact CD2-OE1 3.36Å; L67-E71 HydrophobicContact CG-CG 4.26Å; L67-E71 WeakPolarHBondContact CG-OE1 3.33Å; L67-E71 WeakPolarHBondContact O-CG 3.45Å; L67-E71 PolarHBondContact O-N 3.41Å; V68-E71 WeakPolarHBondContact CA-OE2 3.15Å; E71-H73 PolarHBondContact O-N 2.84Å; E71-H73 VanDerWaalsContact O-N 3.1Å; E71-Q74 PolarHBondContact O-N 2.71Å; E71-Q74 VanDerWaalsContact O-N 3.15Å; E71-L75 WeakPolarHBondContact O-CG 3.37Å; E71-L75 PolarHBondContact O-N 3.18Å
72	R	66.1	Low	63.7	Low	155 Å²	155	71.2 Å²	71.2	59%	0.585	36%	0.355	S	S	*	.	H	α-helix	trans	-62.8	-17.5	176.8	-170.3	179	64.6	-160.8	-7.5	113.4	V68 H69 L70	V68-R72 VanDerWaalsContact O-CB 3.31Å; V68-R72 WeakPolarHBondContact O-CB 3.47Å; H69-R72 PolarHBondContact CD2-NH2 3.44Å; H69-R72 PolarHBondContact NE2-NH2 3.42Å; L70-R72 VanDerWaalsContact C-N 3.34Å; L70-R72 PolarHBondContact O-N 2.87Å
73	H	68.6	Low	63.8	Low	31 Å²	31	66.8 Å²	66.8	14%	0.144	34%	0.336	C	S	.	.	H	α-helix	trans	-93.6	-34.9	173.6	178.6	43.2	0	0	0	112.9	C60 F64 H69 L70 E71 L75 T76 H77	C60-H73 PolarHBondContact SG-NE2 2.82Å; F64-H73 HydrophobicContact CE1-CB 4.34Å; F64-H73 HydrophobicContact CE2-CB 4.12Å; F64-H73 AromaticContact CE2-CD2 3.28Å; F64-H73 WeakPolarHBondContact CE2-CD2 3.41Å; F64-H73 AromaticContact CE2-CG 3.92Å; F64-H73 HydrophobicContact CZ-CB 3.75Å; F64-H73 AromaticContact CZ-CD2 3.28Å; F64-H73 WeakPolarHBondContact CZ-CD2 3.46Å; F64-H73 AromaticContact CZ-CG 3.54Å; H69-H73 WeakPolarHBondContact O-CB 3.37Å; H69-H73 PolarHBondContact O-N 3.32Å; L70-H73 CarbonylContact O-C 3.45Å; L70-H73 VanDerWaalsContact O-CA 3.28Å; L70-H73 WeakPolarHBondContact O-CA 3.43Å; L70-H73 VanDerWaalsContact O-CB 3.3Å; L70-H73 WeakPolarHBondContact O-CB 3.41Å; L70-H73 PolarHBondContact O-N 3.04Å; E71-H73 PolarHBondContact O-N 2.84Å; E71-H73 VanDerWaalsContact O-N 3.1Å; H73-L75 PolarHBondContact O-N 3.09Å; H73-T76 PolarHBondContact ND1-OG1 3.31Å; H73-T76 WeakPolarHBondContact O-CA 3.34Å; H73-T76 WeakPolarHBondContact O-CB 3.13Å; H73-T76 PolarHBondContact O-N 3.17Å; H73-T76 PolarHBondContact O-OG1 3.18Å; H73-H77 AromaticContact CE1-NE2 3.69Å; H73-H77 AromaticContact NE2-NE2 3.72Å
74	Q	61.5	Low	63.4	Low	71 Å²	71	69.3 Å²	69.3	33%	0.332	36%	0.355	S	S	.	.	H	α-helix	trans	-59.6	-39.3	166.6	-71.9	160.1	-34.6	0	0	109.9	L70 E71 T76 H77 S78	L70-Q74 HydrophobicContact CD1-CG 4.01Å; L70-Q74 HydrophobicContact CG-CG 4.43Å; L70-Q74 PolarHBondContact O-N 2.97Å; E71-Q74 PolarHBondContact O-N 2.71Å; E71-Q74 VanDerWaalsContact O-N 3.15Å; Q74-T76 PolarHBondContact O-N 3.05Å; Q74-H77 WeakPolarHBondContact O-CB 3.37Å; Q74-H77 PolarHBondContact O-N 3Å; Q74-S78 PolarHBondContact O-N 3.25Å
75	L	64.8	Low	62.7	Low	112 Å²	112	72.7 Å²	72.7	59%	0.586	38%	0.375	S	S	*	.	H	α-helix	trans	-65.1	6.5	165.6	-65.9	177.1	0	0	0	115.3	E71 H73	E71-L75 WeakPolarHBondContact O-CG 3.37Å; E71-L75 PolarHBondContact O-N 3.18Å; H73-L75 PolarHBondContact O-N 3.09Å
76	T	59	Low	62.4	Low	42 Å²	42	71.7 Å²	71.7	26%	0.258	38%	0.379	S	S	.	.	H	α-helix	trans	-100.3	-26.5	161.2	66.5	0	0	0	0	113	H73 Q74 S78 L79 H89	H73-T76 PolarHBondContact ND1-OG1 3.31Å; H73-T76 WeakPolarHBondContact O-CA 3.34Å; H73-T76 WeakPolarHBondContact O-CB 3.13Å; H73-T76 PolarHBondContact O-N 3.17Å; H73-T76 PolarHBondContact O-OG1 3.18Å; Q74-T76 PolarHBondContact O-N 3.05Å; T76-S78 VanDerWaalsContact C-N 3.32Å; T76-L79 HydrophobicContact CG2-CD1 4.3Å; T76-L79 WeakPolarHBondContact O-CB 3.25Å; T76-L79 WeakPolarHBondContact O-CD1 3.34Å; T76-L79 VanDerWaalsContact O-CG 3.25Å; T76-L79 WeakPolarHBondContact O-CG 3.4Å; T76-L79 PolarHBondContact O-N 2.79Å; T76-H89 WeakPolarHBondContact O-CB 3.49Å
77	H	62.1	Low	61.9	Low	33 Å²	33	74.2 Å²	74.2	15%	0.153	39%	0.391	C	S	.	.	H	α-helix	trans	-71.4	-25.2	175	-71.9	-80.7	0	0	0	113.1	V59 C60 H73 Q74 L79 H89	V59-H77 WeakPolarHBondContact CG1-ND1 3.45Å; C60-H77 PolarHBondContact SG-NE2 2.79Å; H73-H77 AromaticContact CE1-NE2 3.69Å; H73-H77 AromaticContact NE2-NE2 3.72Å; Q74-H77 WeakPolarHBondContact O-CB 3.37Å; Q74-H77 PolarHBondContact O-N 3Å; H77-L79 PolarHBondContact O-N 3.28Å; H77-H89 AromaticContact ND1-CD2 3.72Å; H77-H89 AromaticContact ND1-NE2 3.79Å; H77-H89 PolarHBondContact O-CE1 3.45Å; H77-H89 PolarHBondContact O-ND1 3.04Å
78	S	57.8	Low	61.2	Low	88 Å²	88	77.8 Å²	77.8	62%	0.615	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	7.7	172.8	56.6	0	0	0	0	115	Q74 T76	Q74-S78 PolarHBondContact O-N 3.25Å; T76-S78 VanDerWaalsContact C-N 3.32Å
79	L	62	Low	61.2	Low	28 Å²	28	75.3 Å²	75.3	15%	0.147	38%	0.381	C	S	.	.	S	Bend	trans	-90.2	137.8	-178.7	-56.3	169.2	0	0	0	111.7	T76 H77 F81 H89 K91	T76-L79 HydrophobicContact CG2-CD1 4.3Å; T76-L79 WeakPolarHBondContact O-CB 3.25Å; T76-L79 WeakPolarHBondContact O-CD1 3.34Å; T76-L79 VanDerWaalsContact O-CG 3.25Å; T76-L79 WeakPolarHBondContact O-CG 3.4Å; T76-L79 PolarHBondContact O-N 2.79Å; H77-L79 PolarHBondContact O-N 3.28Å; L79-F81 VanDerWaalsContact C-N 3.33Å; L79-F81 PolarHBondContact O-N 3.13Å; L79-H89 HydrophobicContact CB-CB 4.23Å; L79-H89 PolarHBondContact O-ND1 3.16Å; L79-K91 HydrophobicContact CD1-CB 4.47Å; L79-K91 HydrophobicContact CD1-CD 4.31Å; L79-K91 HydrophobicContact CD1-CG 3.42Å; L79-K91 VanDerWaalsContact CD1-CG 3.42Å; L79-K91 HydrophobicContact CD2-CD 4.3Å; L79-K91 HydrophobicContact CD2-CG 3.81Å; L79-K91 HydrophobicContact CG-CG 4.21Å
80	P	58.7	Low	61	Low	104 Å²	104	73.8 Å²	73.8	68%	0.675	37%	0.374	S	S	*	.	S	Bend	trans	-68.1	-23.3	-164.4	24.2	-34.8	0	0	0	115.3	K82	P80-K82 PolarHBondContact O-N 3.25Å
81	F	58	Low	60.2	Low	64 Å²	64	80 Å²	80	28%	0.281	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	83.5	-176.6	-56	-70	0	0	0	111.7	L79 H89 F90 L93 F96	L79-F81 VanDerWaalsContact C-N 3.33Å; L79-F81 PolarHBondContact O-N 3.13Å; F81-H89 CarbonylContact O-C 3.5Å; F81-H89 WeakPolarHBondContact O-CA 3.36Å; F81-F90 HydrophobicContact CB-CB 4.18Å; F81-F90 PolarHBondContact O-N 3.38Å; F81-L93 HydrophobicContact CD1-CB 4.46Å; F81-L93 HydrophobicContact CD1-CD1 3.93Å; F81-L93 HydrophobicContact CE1-CB 3.95Å; F81-L93 HydrophobicContact CE1-CD1 3.78Å; F81-L93 HydrophobicContact CE1-CG 4.35Å; F81-L93 HydrophobicContact CE2-CB 4.19Å; F81-L93 HydrophobicContact CZ-CB 3.81Å; F81-F96 HydrophobicContact CB-CB 3.8Å; F81-F96 HydrophobicContact CB-CD1 4.5Å; F81-F96 HydrophobicContact CB-CD2 3.72Å; F81-F96 HydrophobicContact CB-CE2 4.42Å; F81-F96 HydrophobicContact CB-CG 3.75Å; F81-F96 HydrophobicContact CG-CB 4.29Å; F81-F96 HydrophobicContact CG-CG 4.46Å
82	K	53.6	Low	60	Low	114 Å²	114	80.7 Å²	80.7	50%	0.496	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	127.6	177.7	-177.9	176.2	178	177.5	0	111.7	P80 F96	P80-K82 PolarHBondContact O-N 3.25Å; K82-F96 WeakPolarHBondContact O-CE2 3.49Å
83	C	63.9	Low	59.6	Low	4 Å²	4	77.9 Å²	77.9	3%	0.027	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	106.5	178.6	-177.9	0	0	0	0	111.7	I85 C86 Q87 R88 F90 F96	C83-I85 PolarHBondContact O-N 2.94Å; C83-C86 PolarHBondContact O-N 2.87Å; C83-C86 VanDerWaalsContact O-N 3.11Å; C83-Q87 VanDerWaalsContact O-CA 3.29Å; C83-Q87 WeakPolarHBondContact O-CA 3.47Å; C83-Q87 PolarHBondContact O-N 2.78Å; C83-R88 VanDerWaalsContact CB-O 3.26Å; C83-R88 WeakPolarHBondContact CB-O 3.29Å; C83-R88 PolarHBondContact N-O 3.3Å; C83-F90 HydrophobicContact CB-CE2 4.23Å; C83-F96 HydrophobicContact CB-CE2 3.91Å
84	S	52.1	Low	59.2	Low	101 Å²	101	85.1 Å²	85.1	71%	0.706	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-24	-176	-35.4	0	0	0	0	115
85	I	55.9	Low	59.3	Low	118 Å²	118	84.8 Å²	84.8	61%	0.605	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-25.2	-176.9	-60.5	172.7	0	0	0	112.5	C83 H103	C83-I85 PolarHBondContact O-N 2.94Å; I85-H103 HydrophobicContact CD1-CB 3.66Å
86	C	62.3	Low	59.2	Low	60 Å²	60	80.8 Å²	80.8	41%	0.405	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143	15.9	-176.8	67.7	0	0	0	0	114.6	C83 R88 H99	C83-C86 PolarHBondContact O-N 2.87Å; C83-C86 VanDerWaalsContact O-N 3.11Å; C86-R88 PolarHBondContact O-N 2.84Å; C86-R88 VanDerWaalsContact SG-CB 3.57Å; C86-H99 PolarHBondContact SG-NE2 3.24Å
87	Q	57.7	Low	59.4	Low	103 Å²	103	81.4 Å²	81.4	48%	0.481	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	47	27.3	-177.8	-48.9	-58.6	-0.7	0	0	114.9	C83 H89	C83-Q87 VanDerWaalsContact O-CA 3.29Å; C83-Q87 WeakPolarHBondContact O-CA 3.47Å; C83-Q87 PolarHBondContact O-N 2.78Å; Q87-H89 PolarHBondContact O-CD2 3.49Å
88	R	55.2	Low	59.4	Low	161 Å²	161	86.9 Å²	86.9	61%	0.608	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	128.3	-176.4	-167.9	172.6	-173	163.8	4.2	110.5	C83 C86 F90	C83-R88 VanDerWaalsContact CB-O 3.26Å; C83-R88 WeakPolarHBondContact CB-O 3.29Å; C83-R88 PolarHBondContact N-O 3.3Å; C86-R88 PolarHBondContact O-N 2.84Å; C86-R88 VanDerWaalsContact SG-CB 3.57Å; R88-F90 HydrophobicContact CB-CE2 3.9Å; R88-F90 HydrophobicContact CB-CZ 4.38Å; R88-F90 HydrophobicContact CG-CE2 3.78Å; R88-F90 HydrophobicContact CG-CZ 3.9Å; R88-F90 VanDerWaalsContact O-CD2 3.3Å; R88-F90 WeakPolarHBondContact O-CD2 3.5Å; R88-F90 VanDerWaalsContact O-CE2 3.26Å; R88-F90 WeakPolarHBondContact O-CE2 3.38Å
89	H	63.9	Low	59.7	Low	35 Å²	35	84 Å²	84	16%	0.162	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	148.1	-177	-70.3	-113.5	0	0	0	112.3	T76 H77 L79 F81 Q87	T76-H89 WeakPolarHBondContact O-CB 3.49Å; H77-H89 AromaticContact ND1-CD2 3.72Å; H77-H89 AromaticContact ND1-NE2 3.79Å; H77-H89 PolarHBondContact O-CE1 3.45Å; H77-H89 PolarHBondContact O-ND1 3.04Å; L79-H89 HydrophobicContact CB-CB 4.23Å; L79-H89 PolarHBondContact O-ND1 3.16Å; F81-H89 CarbonylContact O-C 3.5Å; F81-H89 WeakPolarHBondContact O-CA 3.36Å; Q87-H89 PolarHBondContact O-CD2 3.49Å
90	F	66.4	Low	59.4	Low	32 Å²	32	87.2 Å²	87.2	14%	0.14	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	142.8	-172.7	-67.9	-95.7	0	0	0	112.2	F81 C83 R88 F96 H99	F81-F90 HydrophobicContact CB-CB 4.18Å; F81-F90 PolarHBondContact O-N 3.38Å; C83-F90 HydrophobicContact CB-CE2 4.23Å; R88-F90 HydrophobicContact CB-CE2 3.9Å; R88-F90 HydrophobicContact CB-CZ 4.38Å; R88-F90 HydrophobicContact CG-CE2 3.78Å; R88-F90 HydrophobicContact CG-CZ 3.9Å; R88-F90 VanDerWaalsContact O-CD2 3.3Å; R88-F90 WeakPolarHBondContact O-CD2 3.5Å; R88-F90 VanDerWaalsContact O-CE2 3.26Å; R88-F90 WeakPolarHBondContact O-CE2 3.38Å; F90-F96 HydrophobicContact CB-CB 4.1Å; F90-F96 HydrophobicContact CB-CD2 4.49Å; F90-F96 AromaticContact CD2-CD2 3.9Å; F90-F96 HydrophobicContact CD2-CD2 3.9Å; F90-F96 HydrophobicContact CG-CB 4.4Å; F90-F96 HydrophobicContact CG-CD2 4.43Å; F90-H99 HydrophobicContact CE1-CB 3.9Å; F90-H99 HydrophobicContact CE2-CB 4.23Å; F90-H99 AromaticContact CE2-CD2 3.23Å; F90-H99 WeakPolarHBondContact CE2-CD2 3.5Å; F90-H99 AromaticContact CE2-CG 3.82Å; F90-H99 AromaticContact CE2-NE2 3.85Å; F90-H99 HydrophobicContact CZ-CB 3.64Å; F90-H99 AromaticContact CZ-CD2 3.2Å; F90-H99 WeakPolarHBondContact CZ-CD2 3.48Å; F90-H99 AromaticContact CZ-CG 3.29Å; F90-H99 AromaticContact CZ-ND1 3.92Å; F90-H99 AromaticContact CZ-NE2 3.77Å
91	K	52	Low	59.6	Low	141 Å²	141	87.2 Å²	87.2	61%	0.613	42%	0.424	S	S	*	.	S	Bend	trans	-72.5	-31.1	179.6	-64.6	-158.7	173	-148.1	0	113.8	L79	L79-K91 HydrophobicContact CD1-CB 4.47Å; L79-K91 HydrophobicContact CD1-CD 4.31Å; L79-K91 HydrophobicContact CD1-CG 3.42Å; L79-K91 VanDerWaalsContact CD1-CG 3.42Å; L79-K91 HydrophobicContact CD2-CD 4.3Å; L79-K91 HydrophobicContact CD2-CG 3.81Å; L79-K91 HydrophobicContact CG-CG 4.21Å
92	N	58.6	Low	59.5	Low	98 Å²	98	90.7 Å²	90.7	52%	0.524	45%	0.445	S	S	.	.			trans	-130.5	136.3	-170	-58.1	-11	0	0	0	111.1	K94 T95 F96	N92-K94 PolarHBondContact O-N 3.32Å; N92-T95 HydrophobicContact CB-CG2 4.45Å; N92-T95 PolarHBondContact O-N 3.16Å; N92-T95 PolarHBondContact O-OG1 2.92Å; N92-F96 PolarHBondContact O-N 3.5Å
93	L	57.5	Low	59.9	Low	95 Å²	95	88.3 Å²	88.3	50%	0.497	44%	0.435	S	S	.	.	H	α-helix	trans	-54.7	-39.4	174.1	-175.8	61.4	0	0	0	112.4	F81 T95 F96 V97	F81-L93 HydrophobicContact CD1-CB 4.46Å; F81-L93 HydrophobicContact CD1-CD1 3.93Å; F81-L93 HydrophobicContact CE1-CB 3.95Å; F81-L93 HydrophobicContact CE1-CD1 3.78Å; F81-L93 HydrophobicContact CE1-CG 4.35Å; F81-L93 HydrophobicContact CE2-CB 4.19Å; F81-L93 HydrophobicContact CZ-CB 3.81Å; L93-T95 VanDerWaalsContact C-N 3.26Å; L93-T95 PolarHBondContact O-N 3.48Å; L93-F96 HydrophobicContact CD1-CD1 4.09Å; L93-F96 WeakPolarHBondContact O-CB 3.4Å; L93-F96 PolarHBondContact O-N 2.63Å; L93-V97 HydrophobicContact CD1-CG2 3.83Å; L93-V97 HydrophobicContact CG-CG2 4.1Å; L93-V97 WeakPolarHBondContact O-CB 3.39Å; L93-V97 WeakPolarHBondContact O-CG2 3.31Å; L93-V97 PolarHBondContact O-N 2.98Å
94	K	59.9	Low	59.6	Low	183 Å²	183	92.5 Å²	92.5	80%	0.796	46%	0.457	S	S	*	.	H	α-helix	trans	-66.2	-17.3	175.6	-92.3	177.1	177.4	166.7	0	115	N92 K98	N92-K94 PolarHBondContact O-N 3.32Å; K94-K98 WeakPolarHBondContact O-CG 3.19Å
95	T	63.4	Low	59.7	Low	65 Å²	65	95.2 Å²	95.2	40%	0.399	46%	0.459	S	S	.	.	H	α-helix	trans	-95	-32.3	169.8	55.7	0	0	0	0	111.8	N92 L93 H99	N92-T95 HydrophobicContact CB-CG2 4.45Å; N92-T95 PolarHBondContact O-N 3.16Å; N92-T95 PolarHBondContact O-OG1 2.92Å; L93-T95 VanDerWaalsContact C-N 3.26Å; L93-T95 PolarHBondContact O-N 3.48Å; T95-H99 WeakPolarHBondContact O-CB 3.5Å; T95-H99 PolarHBondContact O-N 3.46Å; T95-H99 VanDerWaalsContact O-N 3.09Å
96	F	63.3	Low	59.4	Low	28 Å²	28	93.4 Å²	93.4	12%	0.123	45%	0.453	C	S	.	.	H	α-helix	trans	-60.7	-55.2	170.9	179.3	-102.2	0	0	0	112.5	F81 K82 C83 F90 N92 L93 K98 H99 Q100	F81-F96 HydrophobicContact CB-CB 3.8Å; F81-F96 HydrophobicContact CB-CD1 4.5Å; F81-F96 HydrophobicContact CB-CD2 3.72Å; F81-F96 HydrophobicContact CB-CE2 4.42Å; F81-F96 HydrophobicContact CB-CG 3.75Å; F81-F96 HydrophobicContact CG-CB 4.29Å; F81-F96 HydrophobicContact CG-CG 4.46Å; K82-F96 WeakPolarHBondContact O-CE2 3.49Å; C83-F96 HydrophobicContact CB-CE2 3.91Å; F90-F96 HydrophobicContact CB-CB 4.1Å; F90-F96 HydrophobicContact CB-CD2 4.49Å; F90-F96 AromaticContact CD2-CD2 3.9Å; F90-F96 HydrophobicContact CD2-CD2 3.9Å; F90-F96 HydrophobicContact CG-CB 4.4Å; F90-F96 HydrophobicContact CG-CD2 4.43Å; N92-F96 PolarHBondContact O-N 3.5Å; L93-F96 HydrophobicContact CD1-CD1 4.09Å; L93-F96 WeakPolarHBondContact O-CB 3.4Å; L93-F96 PolarHBondContact O-N 2.63Å; F96-K98 VanDerWaalsContact C-N 3.29Å; F96-K98 PolarHBondContact O-N 3.42Å; F96-H99 CarbonylContact O-C 3.56Å; F96-H99 WeakPolarHBondContact O-CA 3.37Å; F96-H99 WeakPolarHBondContact O-CB 3.17Å; F96-H99 PolarHBondContact O-N 3.21Å; F96-Q100 PolarHBondContact O-N 3.16Å
97	V	62.6	Low	58.7	Low	55 Å²	55	97.5 Å²	97.5	33%	0.333	46%	0.461	S	S	.	.	H	α-helix	trans	-59.2	-40.6	179.1	171.6	0	0	0	0	111	L93 H99 Q100 Q101	L93-V97 HydrophobicContact CD1-CG2 3.83Å; L93-V97 HydrophobicContact CG-CG2 4.1Å; L93-V97 WeakPolarHBondContact O-CB 3.39Å; L93-V97 WeakPolarHBondContact O-CG2 3.31Å; L93-V97 PolarHBondContact O-N 2.98Å; V97-H99 PolarHBondContact O-N 2.8Å; V97-Q100 PolarHBondContact O-N 3.14Å; V97-Q101 HydrophobicContact CG1-CG 4.4Å; V97-Q101 WeakPolarHBondContact O-CB 3.45Å; V97-Q101 WeakPolarHBondContact O-CG 3.24Å; V97-Q101 PolarHBondContact O-N 3.48Å
98	K	61.6	Low	58.3	Low	147 Å²	147	98.4 Å²	98.4	64%	0.639	47%	0.465	S	S	*	.	H	α-helix	trans	-64.6	-27.2	174.1	-78.5	-172.2	175.9	-166.8	0	113.8	K94 F96	K94-K98 WeakPolarHBondContact O-CG 3.19Å; F96-K98 VanDerWaalsContact C-N 3.29Å; F96-K98 PolarHBondContact O-N 3.42Å
99	H	65.6	Low	57.8	Low	27 Å²	27	95.2 Å²	95.2	13%	0.125	46%	0.46	C	S	.	.	H	α-helix	trans	-81.1	-39.8	173.8	173.9	61.1	0	0	0	111.7	C86 F90 T95 F96 V97 Q101 L102 H103	C86-H99 PolarHBondContact SG-NE2 3.24Å; F90-H99 HydrophobicContact CE1-CB 3.9Å; F90-H99 HydrophobicContact CE2-CB 4.23Å; F90-H99 AromaticContact CE2-CD2 3.23Å; F90-H99 WeakPolarHBondContact CE2-CD2 3.5Å; F90-H99 AromaticContact CE2-CG 3.82Å; F90-H99 AromaticContact CE2-NE2 3.85Å; F90-H99 HydrophobicContact CZ-CB 3.64Å; F90-H99 AromaticContact CZ-CD2 3.2Å; F90-H99 WeakPolarHBondContact CZ-CD2 3.48Å; F90-H99 AromaticContact CZ-CG 3.29Å; F90-H99 AromaticContact CZ-ND1 3.92Å; F90-H99 AromaticContact CZ-NE2 3.77Å; T95-H99 WeakPolarHBondContact O-CB 3.5Å; T95-H99 PolarHBondContact O-N 3.46Å; T95-H99 VanDerWaalsContact O-N 3.09Å; F96-H99 CarbonylContact O-C 3.56Å; F96-H99 WeakPolarHBondContact O-CA 3.37Å; F96-H99 WeakPolarHBondContact O-CB 3.17Å; F96-H99 PolarHBondContact O-N 3.21Å; V97-H99 PolarHBondContact O-N 2.8Å; H99-Q101 VanDerWaalsContact C-N 3.28Å; H99-Q101 PolarHBondContact O-N 3.01Å; H99-L102 WeakPolarHBondContact O-CB 3.45Å; H99-L102 PolarHBondContact O-N 3.23Å; H99-H103 AromaticContact CD2-NE2 3.81Å; H99-H103 AromaticContact CE1-CE1 3.86Å; H99-H103 AromaticContact CE1-NE2 3.23Å; H99-H103 PolarHBondContact CE1-NE2 3Å; H99-H103 AromaticContact NE2-CD2 3.95Å; H99-H103 AromaticContact NE2-NE2 3.07Å; H99-H103 PolarHBondContact NE2-NE2 3.05Å; H99-H103 PolarHBondContact O-CD2 3.47Å
100	Q	55.3	Low	56.8	Low	97 Å²	97	97.9 Å²	97.9	45%	0.453	48%	0.476	S	S	.	.	H	α-helix	trans	-61.9	-36.2	172.8	-165.1	176.7	6.9	0	0	111.8	F96 V97 L102 H103 N104	F96-Q100 PolarHBondContact O-N 3.16Å; V97-Q100 PolarHBondContact O-N 3.14Å; Q100-L102 PolarHBondContact O-N 3.49Å; Q100-H103 PolarHBondContact O-N 3.34Å; Q100-N104 PolarHBondContact O-N 2.86Å; Q100-N104 VanDerWaalsContact O-N 3.15Å
101	Q	63.1	Low	56	Low	104 Å²	104	99.3 Å²	99.3	49%	0.486	49%	0.487	S	S	.	.	H	α-helix	trans	-64.6	-14.5	170.7	-75.8	169.6	-16.1	0	0	114.3	V97 H99	V97-Q101 HydrophobicContact CG1-CG 4.4Å; V97-Q101 WeakPolarHBondContact O-CB 3.45Å; V97-Q101 WeakPolarHBondContact O-CG 3.24Å; V97-Q101 PolarHBondContact O-N 3.48Å; H99-Q101 VanDerWaalsContact C-N 3.28Å; H99-Q101 PolarHBondContact O-N 3.01Å
102	L	55.5	Low	55.9	Low	137 Å²	137	97.4 Å²	97.4	72%	0.717	48%	0.479	S	S	*	.	H	α-helix	trans	-85.3	-22.1	170.6	-62.9	171.1	0	0	0	112.6	H99 Q100	H99-L102 WeakPolarHBondContact O-CB 3.45Å; H99-L102 PolarHBondContact O-N 3.23Å; Q100-L102 PolarHBondContact O-N 3.49Å
103	H	61.5	Low	55.2	Low	63 Å²	63	98 Å²	98	29%	0.292	48%	0.479	S	S	.	.	H	α-helix	trans	-87.5	-19.9	173.9	-59.7	-63.2	0	0	0	112.6	I85 H99 Q100 E105	I85-H103 HydrophobicContact CD1-CB 3.66Å; H99-H103 AromaticContact CD2-NE2 3.81Å; H99-H103 AromaticContact CE1-CE1 3.86Å; H99-H103 AromaticContact CE1-NE2 3.23Å; H99-H103 PolarHBondContact CE1-NE2 3Å; H99-H103 AromaticContact NE2-CD2 3.95Å; H99-H103 AromaticContact NE2-NE2 3.07Å; H99-H103 PolarHBondContact NE2-NE2 3.05Å; H99-H103 PolarHBondContact O-CD2 3.47Å; Q100-H103 PolarHBondContact O-N 3.34Å; H103-E105 PolarHBondContact O-N 3.03Å; H103-E105 VanDerWaalsContact O-N 3.14Å
104	N	58.4	Low	54.9	Low	92 Å²	92	97.7 Å²	97.7	49%	0.492	48%	0.48	S	S	.	.			trans	-87	83.7	-175.3	-158	-6.8	0	0	0	111.8	Q100 T106 Y107	Q100-N104 PolarHBondContact O-N 2.86Å; Q100-N104 VanDerWaalsContact O-N 3.15Å; N104-T106 PolarHBondContact O-N 3.09Å; N104-T106 PolarHBondContact OD1-OG1 3.09Å; N104-Y107 PolarHBondContact O-N 3.36Å; N104-Y107 VanDerWaalsContact O-N 3.14Å
105	E	54.4	Low	54.2	Low	158 Å²	158	96.3 Å²	96.3	74%	0.738	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-25.6	-170.4	-58.4	-166.4	123.5	0	0	114.9	H103 Y107 Q108	H103-E105 PolarHBondContact O-N 3.03Å; H103-E105 VanDerWaalsContact O-N 3.14Å; E105-Y107 VanDerWaalsContact C-N 3.28Å; E105-Y107 PolarHBondContact O-N 3.1Å; E105-Q108 PolarHBondContact O-N 2.85Å
106	T	50.2	Low	53.5	Low	81 Å²	81	101 Å²	101	50%	0.497	48%	0.48	S	S	.	.	H	α-helix	trans	-58.4	-35.4	177.3	52.1	0	0	0	0	113.2	N104 Q108 N109 N110	N104-T106 PolarHBondContact O-N 3.09Å; N104-T106 PolarHBondContact OD1-OG1 3.09Å; T106-Q108 PolarHBondContact O-N 3.06Å; T106-N109 PolarHBondContact O-N 2.8Å; T106-N109 VanDerWaalsContact O-N 3.16Å; T106-N110 PolarHBondContact O-N 3.02Å
107	Y	47.3	Very low	52.7	Low	146 Å²	146	105.1 Å²	105.1	57%	0.573	50%	0.503	S	S	*	.	H	α-helix	trans	-67.7	-36.5	-176.5	-167.4	-102.2	0	0	0	112.8	N104 E105 N109 N110 V111	N104-Y107 PolarHBondContact O-N 3.36Å; N104-Y107 VanDerWaalsContact O-N 3.14Å; E105-Y107 VanDerWaalsContact C-N 3.28Å; E105-Y107 PolarHBondContact O-N 3.1Å; Y107-N109 PolarHBondContact O-N 3.03Å; Y107-N110 PolarHBondContact O-N 3.41Å; Y107-V111 HydrophobicContact CD1-CG2 4.16Å; Y107-V111 HydrophobicContact CE1-CG2 3.77Å; Y107-V111 HydrophobicContact CE2-CG2 4.44Å; Y107-V111 WeakPolarHBondContact O-CG2 3.48Å; Y107-V111 PolarHBondContact O-N 2.97Å; Y107-V111 VanDerWaalsContact O-N 3.13Å
108	Q	47.8	Very low	51.8	Low	121 Å²	121	108.2 Å²	108.2	57%	0.565	52%	0.517	S	S	*	.	H	α-helix	trans	-61.6	-31.8	174.3	-80.3	-77.7	-12	0	0	112.5	E105 T106 K112	E105-Q108 PolarHBondContact O-N 2.85Å; T106-Q108 PolarHBondContact O-N 3.06Å; Q108-K112 VanDerWaalsContact O-CD 3.29Å; Q108-K112 WeakPolarHBondContact O-CD 3.49Å; Q108-K112 VanDerWaalsContact O-CG 3.25Å; Q108-K112 WeakPolarHBondContact O-CG 3.42Å
109	N	45.3	Very low	50.9	Low	94 Å²	94	107 Å²	107	50%	0.503	51%	0.514	S	S	.	.	H	α-helix	trans	-82.7	-42.4	-179.6	-68.3	-31.7	0	0	0	111.5	T106 Y107 V111 K112 Q113	T106-N109 PolarHBondContact O-N 2.8Å; T106-N109 VanDerWaalsContact O-N 3.16Å; Y107-N109 PolarHBondContact O-N 3.03Å; N109-V111 PolarHBondContact O-N 3.41Å; N109-K112 WeakPolarHBondContact O-CB 3.45Å; N109-K112 PolarHBondContact O-N 3.3Å; N109-K112 VanDerWaalsContact O-N 3.1Å; N109-Q113 PolarHBondContact O-N 3.36Å
110	N	43.5	Very low	50.1	Low	91 Å²	91	109.5 Å²	109.5	49%	0.487	54%	0.54	S	S	.	.	H	α-helix	trans	-60.1	-43.5	176.6	-68.6	-10.1	0	0	0	112	T106 Y107 K112 Q113 V114	T106-N110 PolarHBondContact O-N 3.02Å; Y107-N110 PolarHBondContact O-N 3.41Å; N110-K112 VanDerWaalsContact C-N 3.29Å; N110-K112 PolarHBondContact O-N 3.36Å; N110-Q113 PolarHBondContact O-N 2.42Å; N110-Q113 VanDerWaalsContact O-N 3.13Å; N110-V114 WeakPolarHBondContact O-CG2 3.48Å; N110-V114 PolarHBondContact O-N 2.85Å
111	V	48.8	Very low	49.8	Very low	63 Å²	63	113.8 Å²	113.8	38%	0.382	56%	0.557	S	S	.	*	H	α-helix	trans	-64.2	-32.4	176.2	173.8	0	0	0	0	112.3	Y107 N109 R115	Y107-V111 HydrophobicContact CD1-CG2 4.16Å; Y107-V111 HydrophobicContact CE1-CG2 3.77Å; Y107-V111 HydrophobicContact CE2-CG2 4.44Å; Y107-V111 WeakPolarHBondContact O-CG2 3.48Å; Y107-V111 PolarHBondContact O-N 2.97Å; Y107-V111 VanDerWaalsContact O-N 3.13Å; N109-V111 PolarHBondContact O-N 3.41Å; V111-R115 WeakPolarHBondContact O-CB 3.47Å; V111-R115 PolarHBondContact O-N 2.7Å
112	K	51.2	Low	48.8	Very low	100 Å²	100	117 Å²	117	44%	0.435	57%	0.572	S	S	.	*	H	α-helix	trans	-73.8	-32	173.4	-71	168	-168.6	166.1	0	112.4	Q108 N109 N110 R116	Q108-K112 VanDerWaalsContact O-CD 3.29Å; Q108-K112 WeakPolarHBondContact O-CD 3.49Å; Q108-K112 VanDerWaalsContact O-CG 3.25Å; Q108-K112 WeakPolarHBondContact O-CG 3.42Å; N109-K112 WeakPolarHBondContact O-CB 3.45Å; N109-K112 PolarHBondContact O-N 3.3Å; N109-K112 VanDerWaalsContact O-N 3.1Å; N110-K112 VanDerWaalsContact C-N 3.29Å; N110-K112 PolarHBondContact O-N 3.36Å; K112-R116 WeakPolarHBondContact O-CG 3.23Å; K112-R116 PolarHBondContact O-N 3.34Å
113	Q	42.8	Very low	47.8	Very low	112 Å²	112	119.3 Å²	119.3	52%	0.523	58%	0.579	S	S	.	*	H	α-helix	trans	-76.1	-45.3	179.8	-174.9	166.1	-18.6	0	0	112.1	N109 N110 R115 R116 L117	N109-Q113 PolarHBondContact O-N 3.36Å; N110-Q113 PolarHBondContact O-N 2.42Å; N110-Q113 VanDerWaalsContact O-N 3.13Å; Q113-R115 VanDerWaalsContact C-N 3.29Å; Q113-R115 PolarHBondContact O-N 3.5Å; Q113-R116 PolarHBondContact O-N 3.07Å; Q113-L117 HydrophobicContact CG-CD1 4.47Å; Q113-L117 PolarHBondContact O-N 2.97Å; Q113-L117 VanDerWaalsContact O-N 3.14Å
114	V	51.2	Low	46.4	Very low	87 Å²	87	126.5 Å²	126.5	53%	0.527	61%	0.609	S	S	.	*	H	α-helix	trans	-59.8	-40.1	174.5	172.4	0	0	0	0	111.3	N110 L117 L118	N110-V114 WeakPolarHBondContact O-CG2 3.48Å; N110-V114 PolarHBondContact O-N 2.85Å; V114-L117 PolarHBondContact O-N 2.94Å; V114-L118 HydrophobicContact CG1-CD1 4.28Å; V114-L118 PolarHBondContact O-N 3.16Å; V114-L118 VanDerWaalsContact O-N 3.16Å
115	R	45.2	Very low	44.9	Very low	154 Å²	154	127.6 Å²	127.6	58%	0.581	62%	0.624	S	S	*	*	H	α-helix	trans	-59.7	-48	176.4	-174.3	178.9	-58.9	-151.9	-1.1	112.4	V111 Q113 L117 L118 E119	V111-R115 WeakPolarHBondContact O-CB 3.47Å; V111-R115 PolarHBondContact O-N 2.7Å; Q113-R115 VanDerWaalsContact C-N 3.29Å; Q113-R115 PolarHBondContact O-N 3.5Å; R115-L117 VanDerWaalsContact C-N 3.28Å; R115-L117 PolarHBondContact O-N 2.9Å; R115-L118 PolarHBondContact O-N 2.79Å; R115-E119 WeakPolarHBondContact CD-OE1 3.32Å; R115-E119 HydrophobicContact CG-CG 4.39Å; R115-E119 WeakPolarHBondContact CG-OE1 3.32Å; R115-E119 WeakPolarHBondContact O-CG 3.43Å; R115-E119 PolarHBondContact O-N 3.19Å
116	R	48.3	Very low	43.6	Very low	163 Å²	163	127.7 Å²	127.7	62%	0.615	63%	0.626	S	S	*	*	H	α-helix	trans	-62.2	-33.4	177.4	-67.3	171.8	-158	160.6	4.5	112.9	K112 Q113 A120	K112-R116 WeakPolarHBondContact O-CG 3.23Å; K112-R116 PolarHBondContact O-N 3.34Å; Q113-R116 PolarHBondContact O-N 3.07Å; R116-A120 WeakPolarHBondContact O-CB 3.37Å; R116-A120 PolarHBondContact O-N 3.2Å
117	L	46.6	Very low	42.5	Very low	115 Å²	115	134.4 Å²	134.4	60%	0.602	64%	0.644	S	S	*	*	H	α-helix	trans	-71.1	-31.1	177.7	-77.9	165.2	0	0	0	113	Q113 V114 R115	Q113-L117 HydrophobicContact CG-CD1 4.47Å; Q113-L117 PolarHBondContact O-N 2.97Å; Q113-L117 VanDerWaalsContact O-N 3.14Å; V114-L117 PolarHBondContact O-N 2.94Å; R115-L117 VanDerWaalsContact C-N 3.28Å; R115-L117 PolarHBondContact O-N 2.9Å
118	L	43.8	Very low	41.8	Very low	121 Å²	121	130.6 Å²	130.6	63%	0.634	65%	0.649	S	S	*	*	H	α-helix	trans	-73.5	-46.3	170.8	-76.6	160.5	0	0	0	111.3	V114 R115 A120 K121	V114-L118 HydrophobicContact CG1-CD1 4.28Å; V114-L118 PolarHBondContact O-N 3.16Å; V114-L118 VanDerWaalsContact O-N 3.16Å; R115-L118 PolarHBondContact O-N 2.79Å; L118-A120 VanDerWaalsContact C-N 3.27Å; L118-A120 PolarHBondContact O-N 2.87Å; L118-K121 PolarHBondContact O-N 2.58Å
119	E	43.6	Very low	40.6	Very low	120 Å²	120	131.5 Å²	131.5	56%	0.561	66%	0.663	S	S	*	*	H	α-helix	trans	-62.7	-32.1	179	-70.5	163.4	170.9	0	0	112.1	R115 K121	R115-E119 WeakPolarHBondContact CD-OE1 3.32Å; R115-E119 HydrophobicContact CG-CG 4.39Å; R115-E119 WeakPolarHBondContact CG-OE1 3.32Å; R115-E119 WeakPolarHBondContact O-CG 3.43Å; R115-E119 PolarHBondContact O-N 3.19Å; E119-K121 VanDerWaalsContact C-N 3.26Å; E119-K121 PolarHBondContact O-N 3.17Å
120	A	48	Very low	40	Very low	81 Å²	81	137.3 Å²	137.3	67%	0.669	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-5.3	178.1	0	0	0	0	0	115.5	R116 L118	R116-A120 WeakPolarHBondContact O-CB 3.37Å; R116-A120 PolarHBondContact O-N 3.2Å; L118-A120 VanDerWaalsContact C-N 3.27Å; L118-A120 PolarHBondContact O-N 2.87Å
121	K	48.3	Very low	39.2	Very low	187 Å²	187	139.8 Å²	139.8	81%	0.813	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	0	-179.1	-80.6	-162.9	173.2	-167.8	0	115.2	L118 E119	L118-K121 PolarHBondContact O-N 2.58Å; E119-K121 VanDerWaalsContact C-N 3.26Å; E119-K121 PolarHBondContact O-N 3.17Å
122	Q	43.9	Very low	38.8	Very low	171 Å²	171	143 Å²	143	80%	0.799	71%	0.713	S	S	*	*	S	Bend	trans	-110.2	3.1	-168.8	-74.2	-165.2	-33.1	0	0	117.3
123	E	34	Very low	37.6	Very low	185 Å²	185	147.2 Å²	147.2	86%	0.864	73%	0.731	S	S	*	*			trans	-123.5	77.9	178	-69.8	-168.3	163	0	0	113.9
124	K	30.9	Very low	37	Very low	214 Å²	214	148.1 Å²	148.1	93%	0.93	74%	0.744	S	S	*	*			trans	-143.1	137.5	144.3	-88.3	-167	176.6	-175.2	0	108.2
125	S	28.4	Very low	36.4	Very low	115 Å²	115	150.2 Å²	150.2	80%	0.804	76%	0.758	S	S	*	*			trans	-133	153.8	174.5	59.4	0	0	0	0	110.1
126	M	26.6	Very low	36.2	Very low	160 Å²	160	151.5 Å²	151.5	79%	0.788	77%	0.77	S	S	*	*			trans	-170	140.5	134	-113.2	172	60	0	0	111.8
127	Y	26.8	Very low	35.6	Very low	222 Å²	222	153.1 Å²	153.1	87%	0.871	79%	0.785	S	S	*	*			trans	54.8	156.8	168.4	-77.6	-89.7	0	0	0	118.8
128	G	31.9	Very low	34.9	Very low	66 Å²	66	158.6 Å²	158.6	68%	0.68	80%	0.798	S	S	*	*			trans	-160.9	173.1	179	0	0	0	0	0	110
129	V	24.2	Very low	34.3	Very low	141 Å²	141	165 Å²	165	86%	0.855	81%	0.813	S	S	*	*			trans	-130	150.4	172.9	175	0	0	0	0	107.1
130	Y	31.7	Very low	33.7	Very low	215 Å²	215	163.3 Å²	163.3	84%	0.843	82%	0.82	S	S	*	*			trans	-69.1	148.7	-179.8	-51.2	-87.6	0	0	0	111.5
131	N	27.3	Very low	32.8	Very low	143 Å²	143	167.1 Å²	167.1	77%	0.765	83%	0.828	S	S	*	*				-160.3	139.1	129.9	-101.8	-18.7	0	0	0	110.9	F133	N131-F133 HydrophobicContact CB-CD2 4.46Å; N131-F133 HydrophobicContact CB-CE2 4.15Å
132	T	40.4	Very low	32	Very low	131 Å²	131	167.1 Å²	167.1	80%	0.804	83%	0.831	S	S	*	*			trans	-85.7	133.8	171.2	44.5	0	0	0	0	109.7
133	F	26.1	Very low	31.5	Very low	189 Å²	189	164.8 Å²	164.8	83%	0.829	83%	0.831	S	S	*	*			trans	-132.1	147.1	163.2	-82.9	-75.4	0	0	0	111.6	N131	N131-F133 HydrophobicContact CB-CD2 4.46Å; N131-F133 HydrophobicContact CB-CE2 4.15Å
134	T	30.5	Very low	31.2	Very low	130 Å²	130	161.6 Å²	161.6	80%	0.798	83%	0.828	S	S	*	*			trans	-87.3	170.6	-166.3	38.8	0	0	0	0	112.9	E136	T134-E136 PolarHBondContact O-N 3.39Å
135	T	38.9	Very low	31.2	Very low	132 Å²	132	157 Å²	157	81%	0.81	82%	0.822	S	S	*	*	S	Bend	trans	-75.8	111.4	167.9	43.7	0	0	0	0	110.9
136	E	39.4	Very low	31.8	Very low	180 Å²	180	161.1 Å²	161.1	84%	0.841	83%	0.826	S	S	*	*			trans	-164.7	-42.8	147	-115.6	151.4	-155.4	0	0	114	T134 R138	T134-E136 PolarHBondContact O-N 3.39Å; E136-R138 PolarHBondContact O-N 3.48Å
137	E	36.1	Very low	32.1	Very low	197 Å²	197	158.2 Å²	158.2	92%	0.921	82%	0.821	S	S	*	*			trans	-75.4	88.4	-171.3	-63.1	-168.7	130.4	0	0	114.5
138	R	31.2	Very low	32.2	Very low	231 Å²	231	154.5 Å²	154.5	87%	0.872	82%	0.816	S	S	*	*			trans	-150.9	16.9	165.1	-136.4	176.5	-169.9	144.1	10.5	117.5	E136	E136-R138 PolarHBondContact O-N 3.48Å
139	W	32.1	Very low	33.2	Very low	254 Å²	254	156.7 Å²	156.7	96%	0.962	82%	0.818	S	S	*	*			trans	-128.4	61	-174.9	-72.4	93.2	0	0	0	113.7
140	A	31.3	Very low	33.7	Very low	86 Å²	86	158.8 Å²	158.8	71%	0.711	82%	0.821	S	S	*	*			trans	-155.5	135.7	167.7	0	0	0	0	0	107.9
141	L	28.1	Very low	33.8	Very low	160 Å²	160	158.7 Å²	158.7	84%	0.838	82%	0.821	S	S	*	*			cis	-134.3	157.9	-2.9	-65.9	170.8	0	0	0	110.1
142	H	32.6	Very low	34.1	Very low	187 Å²	187	157.5 Å²	157.5	87%	0.866	82%	0.824	S	S	*	*			trans	-117.5	130.6	155.2	-99	-68.4	0	0	0	108.5
143	P	33.8	Very low	34.2	Very low	122 Å²	122	157.9 Å²	157.9	79%	0.792	82%	0.818	S	S	*	*			trans	-98.8	154.9	138.1	-17.2	33.4	0	0	0	111.1
144	C	27.1	Very low	35.1	Very low	119 Å²	119	156.9 Å²	156.9	80%	0.804	81%	0.813	S	S	*	*			trans	-139.1	128.4	173.9	172.1	0	0	0	0	109.5
145	S	30.1	Very low	35.5	Very low	116 Å²	116	162.2 Å²	162.2	81%	0.811	82%	0.819	S	S	*	*			trans	-103.6	144.1	167.8	41.4	0	0	0	0	110.8
146	K	42.7	Very low	36.1	Very low	203 Å²	203	167.4 Å²	167.4	88%	0.883	82%	0.824	S	S	*	*			trans	-91.4	164	170.7	-49.4	164.3	-171.7	169.4	0	107.1
147	S	32	Very low	36.9	Very low	98 Å²	98	167 Å²	167	69%	0.685	82%	0.819	S	S	*	*			cis	-142.3	-178.3	-0.9	51.5	0	0	0	0	107
148	D	28.2	Very low	37.9	Very low	144 Å²	144	163.8 Å²	163.8	77%	0.77	81%	0.808	S	S	*	*			cis	-150.8	173	25.2	-103.2	-58	0	0	0	112.2
149	P	52.8	Low	40.1	Very low	112 Å²	112	157 Å²	157	73%	0.727	79%	0.788	S	S	*	*			trans	-105.3	130.4	-164.6	36.9	-32.3	0	0	0	116.1
150	M	35.8	Very low	42.4	Very low	186 Å²	186	147.5 Å²	147.5	92%	0.916	76%	0.755	S	S	*	*			trans	-149.9	156.5	148.2	-116.3	179.4	78.1	0	0	113.9
151	Y	33.3	Very low	44.9	Very low	213 Å²	213	146 Å²	146	84%	0.835	74%	0.742	S	S	*	*			trans	65.5	56.5	174.1	-145.6	-95.9	0	0	0	119
152	S	34.6	Very low	47.8	Very low	118 Å²	118	138.4 Å²	138.4	83%	0.825	70%	0.702	S	S	*	*			trans	-101.9	101.7	160.4	-175.2	0	0	0	0	112
153	M	40.5	Very low	50.2	Low	138 Å²	138	136.1 Å²	136.1	68%	0.68	70%	0.701	S	S	*	*			trans	-140.2	97.1	165.5	-95	-60.7	177.1	0	0	114.4
154	K	45.1	Very low	52.5	Low	168 Å²	168	135 Å²	135	73%	0.73	69%	0.688	S	S	*	*			trans	39.5	112.8	141.2	-61.6	172.9	-172	163.7	0	118.5
155	R	39.9	Very low	55.2	Low	242 Å²	242	131.6 Å²	131.6	91%	0.913	67%	0.665	S	S	*	*				-149.9	74.4	101.2	-73.8	-150.9	-176.4	-175.7	1.3	112.4	K157	R155-K157 PolarHBondContact O-N 2.95Å
156	R	50.6	Low	57.6	Low	242 Å²	242	128.8 Å²	128.8	91%	0.913	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-60.8	118.5	147.5	-74.5	-176.7	179.3	167.2	0.5	106.2
157	K	56.5	Low	59.5	Low	171 Å²	171	124.9 Å²	124.9	74%	0.743	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-75.9	129.6	166.3	-76.1	180	178	171.9	0	106.9	R155 I159	R155-K157 PolarHBondContact O-N 2.95Å; K157-I159 HydrophobicContact CB-CG1 4.49Å; K157-I159 PolarHBondContact O-N 3.32Å; K157-I159 VanDerWaalsContact O-N 3.16Å
158	N	56.6	Low	62	Low	130 Å²	130	126.2 Å²	126.2	70%	0.695	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-64.2	119.2	166.4	-70	9.3	0	0	0	107.6
159	I	77.3	Confident	64.9	Low	89 Å²	89	121.3 Å²	121.3	46%	0.456	61%	0.606	S	S	.	*			trans	-112.2	123.8	175.6	-60	169.8	0	0	0	105.6	K157 M168 F169	K157-I159 HydrophobicContact CB-CG1 4.49Å; K157-I159 PolarHBondContact O-N 3.32Å; K157-I159 VanDerWaalsContact O-N 3.16Å; I159-M168 HydrophobicContact CB-CE 4.32Å; I159-M168 HydrophobicContact CB-SD 4.27Å; I159-M168 HydrophobicContact CD1-CE 4.21Å; I159-M168 HydrophobicContact CG2-CB 3.69Å; I159-M168 HydrophobicContact CG2-CE 3.82Å; I159-M168 HydrophobicContact CG2-CG 4.22Å; I159-M168 HydrophobicContact CG2-SD 3.49Å; I159-M168 WeakPolarHBondContact CG2-SD 3.44Å; I159-F169 WeakPolarHBondContact CA-O 3.28Å
160	H	81.4	Confident	66.3	Low	54 Å²	54	120.2 Å²	120.2	25%	0.25	60%	0.599	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-97	112	-171.2	-57.6	-105.9	0	0	0	108	F169 Q172 L175	H160-F169 PolarHBondContact N-O 3.22Å; H160-F169 PolarHBondContact O-N 3.37Å; H160-Q172 PolarHBondContact CD2-N 3.34Å; H160-Q172 VanDerWaalsContact CD2-N 3.35Å; H160-Q172 PolarHBondContact ND1-OE1 3.1Å; H160-Q172 PolarHBondContact NE2-N 3.25Å; H160-L175 HydrophobicContact CB-CB 4.17Å; H160-L175 HydrophobicContact CB-CD2 3.76Å
161	A	84.8	Confident	68.8	Low	53 Å²	53	112.8 Å²	112.8	44%	0.438	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.8	143.2	-179.4	0	0	0	0	0	111.4	T163 K167 M168 L175	A161-T163 PolarHBondContact O-N 3.17Å; A161-K167 CarbonylContact C-O 3.52Å; A161-K167 WeakPolarHBondContact CA-O 3.36Å; A161-M168 HydrophobicContact CB-SD 4.33Å; A161-L175 WeakPolarHBondContact O-CD2 3.28Å
162	C	88.4	Confident	71.4	Confident	1 Å²	1	106.8 Å²	106.8	1%	0.007	55%	0.545	C	S	.	.			trans	-81.7	115.2	172.2	-173.7	0	0	0	0	110.7	I164 C165 G166 K167 F169 L175 H178 H182	C162-I164 PolarHBondContact O-N 3.47Å; C162-C165 PolarHBondContact O-N 3.42Å; C162-G166 WeakPolarHBondContact O-CA 3.38Å; C162-G166 PolarHBondContact O-N 2.82Å; C162-K167 HydrophobicContact CB-CB 4.47Å; C162-K167 PolarHBondContact N-O 2.6Å; C162-F169 HydrophobicContact CB-CE2 4.22Å; C162-L175 VanDerWaalsContact CA-CD1 3.47Å; C162-L175 HydrophobicContact CB-CD1 3.5Å; C162-H178 VanDerWaalsContact SG-CD2 3.57Å; C162-H182 PolarHBondContact SG-NE2 3.16Å; C162-H182 VanDerWaalsContact SG-NE2 3.41Å
163	T	82.2	Confident	73.8	Confident	139 Å²	139	105 Å²	105	85%	0.853	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-36.5	176.8	48.5	0	0	0	0	113.1	A161	A161-T163 PolarHBondContact O-N 3.17Å
164	I	82.9	Confident	75.9	Confident	98 Å²	98	102.7 Å²	102.7	50%	0.503	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-19.7	-174.7	-56.3	169.9	0	0	0	113.2	C162 H182	C162-I164 PolarHBondContact O-N 3.47Å; I164-H182 HydrophobicContact CD1-CB 3.63Å; I164-H182 HydrophobicContact CG2-CB 4.09Å
165	C	83.8	Confident	78	Confident	49 Å²	49	95.4 Å²	95.4	33%	0.331	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.3	22.1	179.5	70.6	0	0	0	0	116.9	C162 K167 H178 H182	C162-C165 PolarHBondContact O-N 3.42Å; C165-K167 PolarHBondContact O-N 3.22Å; C165-H178 PolarHBondContact SG-NE2 2.83Å; C165-H182 PolarHBondContact SG-CE1 3.07Å; C165-H182 PolarHBondContact SG-NE2 3.34Å; C165-H182 VanDerWaalsContact SG-NE2 3.39Å
166	G	80.1	Confident	80.1	Confident	56 Å²	56	87.5 Å²	87.5	58%	0.577	46%	0.463	S	S	*	.			trans	65.3	-2.7	176.1	0	0	0	0	0	116.4	C162 M168	C162-G166 WeakPolarHBondContact O-CA 3.38Å; C162-G166 PolarHBondContact O-N 2.82Å; G166-M168 PolarHBondContact O-N 3.5Å
167	K	82.1	Confident	81.8	Confident	121 Å²	121	81.4 Å²	81.4	53%	0.526	44%	0.44	S	S	.	.			trans	-68.9	127.3	-171.7	-75.1	174.3	-169.8	151.6	0	112	A161 C162 C165 F169	A161-K167 CarbonylContact C-O 3.52Å; A161-K167 WeakPolarHBondContact CA-O 3.36Å; C162-K167 HydrophobicContact CB-CB 4.47Å; C162-K167 PolarHBondContact N-O 2.6Å; C165-K167 PolarHBondContact O-N 3.22Å; K167-F169 HydrophobicContact CB-CE2 3.61Å; K167-F169 HydrophobicContact CB-CZ 3.91Å; K167-F169 WeakPolarHBondContact O-CD2 3.48Å; K167-F169 WeakPolarHBondContact O-CE2 3.45Å
168	M	85.8	Confident	83.1	Confident	126 Å²	126	74.1 Å²	74.1	62%	0.621	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	123.3	-174.1	-73.4	-93.3	-91	0	0	111.7	I159 A161 G166	I159-M168 HydrophobicContact CB-CE 4.32Å; I159-M168 HydrophobicContact CB-SD 4.27Å; I159-M168 HydrophobicContact CD1-CE 4.21Å; I159-M168 HydrophobicContact CG2-CB 3.69Å; I159-M168 HydrophobicContact CG2-CE 3.82Å; I159-M168 HydrophobicContact CG2-CG 4.22Å; I159-M168 HydrophobicContact CG2-SD 3.49Å; I159-M168 WeakPolarHBondContact CG2-SD 3.44Å; A161-M168 HydrophobicContact CB-SD 4.33Å; G166-M168 PolarHBondContact O-N 3.5Å
169	F	87.6	Confident	84.5	Confident	42 Å²	42	70 Å²	70	18%	0.184	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.9	-178.2	-65	-83.9	0	0	0	113.1	I159 H160 C162 K167 S171 K174 L175 H178	I159-F169 WeakPolarHBondContact CA-O 3.28Å; H160-F169 PolarHBondContact N-O 3.22Å; H160-F169 PolarHBondContact O-N 3.37Å; C162-F169 HydrophobicContact CB-CE2 4.22Å; K167-F169 HydrophobicContact CB-CE2 3.61Å; K167-F169 HydrophobicContact CB-CZ 3.91Å; K167-F169 WeakPolarHBondContact O-CD2 3.48Å; K167-F169 WeakPolarHBondContact O-CE2 3.45Å; F169-S171 PolarHBondContact O-N 2.95Å; F169-S171 VanDerWaalsContact O-N 3.13Å; F169-K174 HydrophobicContact CB-CB 4.16Å; F169-K174 HydrophobicContact CD1-CB 4Å; F169-K174 HydrophobicContact CG-CB 4.4Å; F169-L175 HydrophobicContact CB-CB 4.18Å; F169-L175 HydrophobicContact CD2-CB 4.03Å; F169-L175 HydrophobicContact CD2-CD1 3.98Å; F169-L175 HydrophobicContact CE2-CD1 4.26Å; F169-L175 HydrophobicContact CG-CB 4.27Å; F169-H178 HydrophobicContact CE1-CB 4.03Å; F169-H178 HydrophobicContact CE2-CB 3.97Å; F169-H178 AromaticContact CE2-CD2 3.23Å; F169-H178 WeakPolarHBondContact CE2-CD2 3.09Å; F169-H178 AromaticContact CE2-CG 3.65Å; F169-H178 AromaticContact CE2-NE2 3.98Å; F169-H178 HydrophobicContact CZ-CB 3.59Å; F169-H178 AromaticContact CZ-CD2 3.32Å; F169-H178 WeakPolarHBondContact CZ-CD2 3.11Å; F169-H178 AromaticContact CZ-CG 3.28Å; F169-H178 AromaticContact CZ-ND1 3.91Å; F169-H178 AromaticContact CZ-NE2 3.95Å
170	P	83.7	Confident	84.9	Confident	89 Å²	89	67.1 Å²	67.1	58%	0.578	37%	0.373	S	S	*	.	S	Bend	trans	-81.7	15.8	-176.4	35	-38.2	0	0	0	114.4	K174	P170-K174 HydrophobicContact CG-CD 4.03Å
171	S	88.1	Confident	85.1	Confident	30 Å²	30	68.8 Å²	68.8	21%	0.21	38%	0.383	C	S	.	.	S	Bend	trans	-169.8	144.9	169.7	60.6	0	0	0	0	110.3	F169 S173 K174 L175	F169-S171 PolarHBondContact O-N 2.95Å; F169-S171 VanDerWaalsContact O-N 3.13Å; S171-S173 VanDerWaalsContact C-N 3.3Å; S171-S173 PolarHBondContact O-N 3.26Å; S171-S173 PolarHBondContact OG-OG 3.34Å; S171-K174 WeakPolarHBondContact O-CB 3.25Å; S171-K174 PolarHBondContact O-N 3.47Å; S171-K174 WeakPolarHBondContact OG-CD 3.35Å; S171-K174 WeakPolarHBondContact OG-CG 3.29Å; S171-L175 PolarHBondContact O-N 3.27Å
172	Q	87.2	Confident	84.8	Confident	87 Å²	87	69.6 Å²	69.6	41%	0.407	38%	0.378	S	S	.	.	H	α-helix	trans	-49.7	-49	176.1	-170.5	61.7	39.5	0	0	111.8	H160 K174 L175 D176	H160-Q172 PolarHBondContact CD2-N 3.34Å; H160-Q172 VanDerWaalsContact CD2-N 3.35Å; H160-Q172 PolarHBondContact ND1-OE1 3.1Å; H160-Q172 PolarHBondContact NE2-N 3.25Å; Q172-K174 PolarHBondContact O-N 3.22Å; Q172-L175 CarbonylContact O-C 3.6Å; Q172-L175 VanDerWaalsContact O-CA 3.3Å; Q172-L175 WeakPolarHBondContact O-CA 3.43Å; Q172-L175 VanDerWaalsContact O-CB 3.3Å; Q172-L175 WeakPolarHBondContact O-CB 3.41Å; Q172-L175 PolarHBondContact O-N 3.42Å; Q172-D176 PolarHBondContact NE2-OD1 3.45Å; Q172-D176 PolarHBondContact O-N 3.49Å
173	S	85.9	Confident	84.4	Confident	81 Å²	81	72.8 Å²	72.8	57%	0.566	40%	0.398	S	S	*	.	H	α-helix	trans	-55.2	-16	176.8	59.5	0	0	0	0	116.7	S171 D176	S171-S173 VanDerWaalsContact C-N 3.3Å; S171-S173 PolarHBondContact O-N 3.26Å; S171-S173 PolarHBondContact OG-OG 3.34Å; S173-D176 VanDerWaalsContact CA-OD2 3.23Å; S173-D176 WeakPolarHBondContact CA-OD2 3.3Å; S173-D176 PolarHBondContact N-OD2 3.33Å
174	K	84.9	Confident	84.3	Confident	89 Å²	89	68 Å²	68	39%	0.387	38%	0.375	S	S	.	.	H	α-helix	trans	-93.8	-31.2	171.8	-71.2	168.9	-171.8	158.6	0	112.2	F169 P170 S171 Q172 H178	F169-K174 HydrophobicContact CB-CB 4.16Å; F169-K174 HydrophobicContact CD1-CB 4Å; F169-K174 HydrophobicContact CG-CB 4.4Å; P170-K174 HydrophobicContact CG-CD 4.03Å; S171-K174 WeakPolarHBondContact O-CB 3.25Å; S171-K174 PolarHBondContact O-N 3.47Å; S171-K174 WeakPolarHBondContact OG-CD 3.35Å; S171-K174 WeakPolarHBondContact OG-CG 3.29Å; Q172-K174 PolarHBondContact O-N 3.22Å; K174-H178 WeakPolarHBondContact O-CB 3.49Å; K174-H178 PolarHBondContact O-N 2.73Å
175	L	87.6	Confident	84.1	Confident	15 Å²	15	68.9 Å²	68.9	8%	0.079	38%	0.378	C	S	.	.	H	α-helix	trans	-66.8	-49.5	168.9	170.7	58.6	0	0	0	110.8	H160 A161 C162 F169 S171 Q172 R177 H178 V179	H160-L175 HydrophobicContact CB-CB 4.17Å; H160-L175 HydrophobicContact CB-CD2 3.76Å; A161-L175 WeakPolarHBondContact O-CD2 3.28Å; C162-L175 VanDerWaalsContact CA-CD1 3.47Å; C162-L175 HydrophobicContact CB-CD1 3.5Å; F169-L175 HydrophobicContact CB-CB 4.18Å; F169-L175 HydrophobicContact CD2-CB 4.03Å; F169-L175 HydrophobicContact CD2-CD1 3.98Å; F169-L175 HydrophobicContact CE2-CD1 4.26Å; F169-L175 HydrophobicContact CG-CB 4.27Å; S171-L175 PolarHBondContact O-N 3.27Å; Q172-L175 CarbonylContact O-C 3.6Å; Q172-L175 VanDerWaalsContact O-CA 3.3Å; Q172-L175 WeakPolarHBondContact O-CA 3.43Å; Q172-L175 VanDerWaalsContact O-CB 3.3Å; Q172-L175 WeakPolarHBondContact O-CB 3.41Å; Q172-L175 PolarHBondContact O-N 3.42Å; L175-R177 VanDerWaalsContact C-N 3.33Å; L175-R177 PolarHBondContact O-N 3.16Å; L175-H178 CarbonylContact O-C 3.46Å; L175-H178 VanDerWaalsContact O-CA 3.28Å; L175-H178 WeakPolarHBondContact O-CA 3.3Å; L175-H178 VanDerWaalsContact O-CB 3.28Å; L175-H178 WeakPolarHBondContact O-CB 3.23Å; L175-H178 PolarHBondContact O-N 3.3Å; L175-V179 HydrophobicContact CD1-CG2 3.87Å; L175-V179 HydrophobicContact CG-CG2 4.31Å; L175-V179 WeakPolarHBondContact O-CG2 3.5Å; L175-V179 PolarHBondContact O-N 3.07Å
176	D	84.8	Confident	84.1	Confident	76 Å²	76	73.4 Å²	73.4	41%	0.406	39%	0.388	S	S	.	.	H	α-helix	trans	-56	-49.2	-178.4	-46.2	-40.8	0	0	0	111	Q172 S173 H178 V179 L180	Q172-D176 PolarHBondContact NE2-OD1 3.45Å; Q172-D176 PolarHBondContact O-N 3.49Å; S173-D176 VanDerWaalsContact CA-OD2 3.23Å; S173-D176 WeakPolarHBondContact CA-OD2 3.3Å; S173-D176 PolarHBondContact N-OD2 3.33Å; D176-H178 PolarHBondContact O-N 3.19Å; D176-V179 WeakPolarHBondContact O-CB 3.37Å; D176-V179 PolarHBondContact O-N 3.45Å; D176-L180 PolarHBondContact O-N 3.31Å
177	R	85.5	Confident	84.2	Confident	113 Å²	113	74.3 Å²	74.3	43%	0.426	38%	0.383	S	S	.	.	H	α-helix	trans	-65	-19	175.3	-170	-177.9	63.7	157.7	-6.5	113.5	L175 Q199	L175-R177 VanDerWaalsContact C-N 3.33Å; L175-R177 PolarHBondContact O-N 3.16Å; R177-Q199 HydrophobicContact CG-CG 4.23Å
178	H	84.9	Confident	84.3	Confident	19 Å²	19	72.2 Å²	72.2	9%	0.088	37%	0.374	C	S	.	.	H	α-helix	trans	-86.4	-34.4	171	172.3	58.5	0	0	0	112.2	C162 C165 F169 K174 L175 D176 L180 I181 H182	C162-H178 VanDerWaalsContact SG-CD2 3.57Å; C165-H178 PolarHBondContact SG-NE2 2.83Å; F169-H178 HydrophobicContact CE1-CB 4.03Å; F169-H178 HydrophobicContact CE2-CB 3.97Å; F169-H178 AromaticContact CE2-CD2 3.23Å; F169-H178 WeakPolarHBondContact CE2-CD2 3.09Å; F169-H178 AromaticContact CE2-CG 3.65Å; F169-H178 AromaticContact CE2-NE2 3.98Å; F169-H178 HydrophobicContact CZ-CB 3.59Å; F169-H178 AromaticContact CZ-CD2 3.32Å; F169-H178 WeakPolarHBondContact CZ-CD2 3.11Å; F169-H178 AromaticContact CZ-CG 3.28Å; F169-H178 AromaticContact CZ-ND1 3.91Å; F169-H178 AromaticContact CZ-NE2 3.95Å; K174-H178 WeakPolarHBondContact O-CB 3.49Å; K174-H178 PolarHBondContact O-N 2.73Å; L175-H178 CarbonylContact O-C 3.46Å; L175-H178 VanDerWaalsContact O-CA 3.28Å; L175-H178 WeakPolarHBondContact O-CA 3.3Å; L175-H178 VanDerWaalsContact O-CB 3.28Å; L175-H178 WeakPolarHBondContact O-CB 3.23Å; L175-H178 PolarHBondContact O-N 3.3Å; D176-H178 PolarHBondContact O-N 3.19Å; H178-L180 PolarHBondContact O-N 3.21Å; H178-I181 WeakPolarHBondContact O-CA 3.43Å; H178-I181 WeakPolarHBondContact O-CB 3.45Å; H178-I181 WeakPolarHBondContact O-CG1 3.32Å; H178-I181 PolarHBondContact O-N 2.86Å; H178-H182 AromaticContact CD2-NE2 3.98Å; H178-H182 AromaticContact CE1-NE2 3.58Å; H178-H182 AromaticContact NE2-NE2 3.2Å; H178-H182 PolarHBondContact NE2-NE2 2.92Å; H178-H182 VanDerWaalsContact NE2-NE2 3.2Å
179	V	85.8	Confident	84.2	Confident	42 Å²	42	73.5 Å²	73.5	26%	0.255	38%	0.376	S	S	.	.	H	α-helix	trans	-60.3	-34.8	173.6	173.3	0	0	0	0	111.1	L175 D176 I181 H182 T183	L175-V179 HydrophobicContact CD1-CG2 3.87Å; L175-V179 HydrophobicContact CG-CG2 4.31Å; L175-V179 WeakPolarHBondContact O-CG2 3.5Å; L175-V179 PolarHBondContact O-N 3.07Å; D176-V179 WeakPolarHBondContact O-CB 3.37Å; D176-V179 PolarHBondContact O-N 3.45Å; V179-I181 PolarHBondContact O-N 3.2Å; V179-H182 PolarHBondContact O-N 3.04Å; V179-T183 HydrophobicContact CG1-CG2 3.85Å; V179-T183 PolarHBondContact O-N 2.76Å; V179-T183 PolarHBondContact O-OG1 3.36Å
180	L	86.2	Confident	83.9	Confident	29 Å²	29	72.1 Å²	72.1	15%	0.152	37%	0.372	C	S	.	.	H	α-helix	trans	-54.2	-16.9	168.4	-63	-179.6	0	0	0	114.7	D176 H178 Q185 P187 R198	D176-L180 PolarHBondContact O-N 3.31Å; H178-L180 PolarHBondContact O-N 3.21Å; L180-Q185 HydrophobicContact CD2-CB 3.82Å; L180-P187 HydrophobicContact CD1-CG 4.22Å; L180-P187 HydrophobicContact CD2-CG 4.19Å; L180-R198 HydrophobicContact CB-CG 4.42Å; L180-R198 VanDerWaalsContact O-CZ 3.27Å; L180-R198 PolarHBondContact O-NE 2.83Å; L180-R198 PolarHBondContact O-NH2 3.24Å; L180-R198 VanDerWaalsContact O-NH2 3.16Å
181	I	83.9	Confident	83.7	Confident	89 Å²	89	74.2 Å²	74.2	46%	0.456	38%	0.383	S	S	.	.	H	α-helix	trans	-74.8	-41.9	172.8	-56.8	-174.2	0	0	0	110.9	H178 V179 R198	H178-I181 WeakPolarHBondContact O-CA 3.43Å; H178-I181 WeakPolarHBondContact O-CB 3.45Å; H178-I181 WeakPolarHBondContact O-CG1 3.32Å; H178-I181 PolarHBondContact O-N 2.86Å; V179-I181 PolarHBondContact O-N 3.2Å; I181-R198 PolarHBondContact O-NH2 3.35Å
182	H	79.6	Confident	83.1	Confident	70 Å²	70	78.4 Å²	78.4	32%	0.324	40%	0.402	S	S	.	.	H	α-helix	trans	-78.3	-46.7	-179.1	-55.8	-63.3	0	0	0	111.7	C162 I164 C165 H178 V179 G184	C162-H182 PolarHBondContact SG-NE2 3.16Å; C162-H182 VanDerWaalsContact SG-NE2 3.41Å; I164-H182 HydrophobicContact CD1-CB 3.63Å; I164-H182 HydrophobicContact CG2-CB 4.09Å; C165-H182 PolarHBondContact SG-CE1 3.07Å; C165-H182 PolarHBondContact SG-NE2 3.34Å; C165-H182 VanDerWaalsContact SG-NE2 3.39Å; H178-H182 AromaticContact CD2-NE2 3.98Å; H178-H182 AromaticContact CE1-NE2 3.58Å; H178-H182 AromaticContact NE2-NE2 3.2Å; H178-H182 PolarHBondContact NE2-NE2 2.92Å; H178-H182 VanDerWaalsContact NE2-NE2 3.2Å; V179-H182 PolarHBondContact O-N 3.04Å; H182-G184 PolarHBondContact O-N 3.28Å
183	T	80.1	Confident	82.8	Confident	69 Å²	69	75.9 Å²	75.9	42%	0.423	39%	0.394	S	S	.	.	S	Bend	trans	-73	4.3	-179.1	62.5	0	0	0	0	114.1	V179 Q185	V179-T183 HydrophobicContact CG1-CG2 3.85Å; V179-T183 PolarHBondContact O-N 2.76Å; V179-T183 PolarHBondContact O-OG1 3.36Å; T183-Q185 PolarHBondContact O-N 3.36Å
184	G	79.6	Confident	82.4	Confident	37 Å²	37	77.8 Å²	77.8	38%	0.381	40%	0.402	S	S	.	.			trans	70.6	-31	-176.2	0	0	0	0	0	115.3	H182 R198	H182-G184 PolarHBondContact O-N 3.28Å; G184-R198 PolarHBondContact O-NH2 2.88Å
185	Q	80	Confident	82.2	Confident	118 Å²	118	77.6 Å²	77.6	55%	0.551	40%	0.401	S	S	*	.			trans	-48.1	140	-166.6	-71.3	-177.7	-2.5	0	0	114.8	L180 T183 R198	L180-Q185 HydrophobicContact CD2-CB 3.82Å; T183-Q185 PolarHBondContact O-N 3.36Å; Q185-R198 WeakPolarHBondContact O-CG 3.16Å
186	R	82.4	Confident	82	Confident	144 Å²	144	78 Å²	78	54%	0.543	41%	0.406	S	S	.	.			trans	-134	76.8	-177.3	-71.9	157.6	178.6	-129.2	21.1	110	F188 S196 F197 R198	R186-F188 PolarHBondContact O-N 2.82Å; R186-F188 VanDerWaalsContact O-N 3.1Å; R186-S196 WeakPolarHBondContact CD-O 3.49Å; R186-S196 PolarHBondContact NH1-O 2.85Å; R186-F197 CarbonylContact C-O 3.52Å; R186-F197 VanDerWaalsContact C-O 3.23Å; R186-F197 WeakPolarHBondContact CA-O 3.36Å; R186-R198 HydrophobicContact CG-CG 4.1Å
187	P	82.9	Confident	82	Confident	74 Å²	74	76.7 Å²	76.7	48%	0.481	40%	0.396	S	S	.	.			trans	-62.2	-22.3	-170.2	-25.1	35.6	0	0	0	115	L180 K189	L180-P187 HydrophobicContact CD1-CG 4.22Å; L180-P187 HydrophobicContact CD2-CG 4.19Å; P187-K189 PolarHBondContact O-N 2.76Å
188	F	83.9	Confident	82	Confident	77 Å²	77	75 Å²	75	34%	0.338	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	81.7	-174.4	-55	-76.9	0	0	0	110.3	R186 F197 Q199 L203	R186-F188 PolarHBondContact O-N 2.82Å; R186-F188 VanDerWaalsContact O-N 3.1Å; F188-F197 HydrophobicContact CB-CB 4.38Å; F188-F197 WeakPolarHBondContact CB-O 3.18Å; F188-F197 PolarHBondContact N-O 3.02Å; F188-F197 PolarHBondContact O-N 3.47Å; F188-Q199 VanDerWaalsContact CD2-C 3.46Å; F188-L203 HydrophobicContact CB-CB 4.05Å; F188-L203 HydrophobicContact CB-CD2 3.88Å
189	K	82.9	Confident	81.9	Confident	153 Å²	153	76.4 Å²	76.4	67%	0.665	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	146.8	173	-52.1	-164.1	178.7	179.6	0	110.8	P187 S196 L203	P187-K189 PolarHBondContact O-N 2.76Å; K189-S196 WeakPolarHBondContact CG-OG 3.48Å; K189-L203 VanDerWaalsContact O-CD2 3.29Å; K189-L203 WeakPolarHBondContact O-CD2 3.48Å
190	C	82.9	Confident	81.7	Confident	13 Å²	13	77 Å²	77	9%	0.088	40%	0.403	C	S	.	.			trans	-79.3	154.1	163.7	-157.9	0	0	0	0	110.1	C193 K195 L203 H210	C190-C193 CarbonylContact C-O 3.57Å; C190-C193 WeakPolarHBondContact CB-O 3.41Å; C190-K195 WeakPolarHBondContact CB-O 3.49Å; C190-K195 PolarHBondContact N-O 3.39Å; C190-L203 HydrophobicContact CB-CD1 3.82Å; C190-H210 PolarHBondContact SG-NE2 3.05Å
191	V	78	Confident	81.4	Confident	133 Å²	133	79 Å²	79	81%	0.806	42%	0.416	S	S	*	.	S	Bend	trans	-93.9	-25.6	174.3	-175.8	0	0	0	0	110.7
192	L	76.4	Confident	81.3	Confident	118 Å²	118	79.1 Å²	79.1	62%	0.618	42%	0.415	S	S	*	.	S	Bend	trans	-93.8	-2.3	-177	-57.4	176.5	0	0	0	113.4	H210	L192-H210 HydrophobicContact CB-CB 4.41Å; L192-H210 HydrophobicContact CD1-CB 3.59Å; L192-H210 PolarHBondContact O-CE1 3.5Å
193	C	81.1	Confident	81.4	Confident	35 Å²	35	76.8 Å²	76.8	24%	0.236	40%	0.404	C	S	.	.	S	Bend	trans	-167.2	170.7	164.4	65.2	0	0	0	0	111	C190 K195 H206 H210	C190-C193 CarbonylContact C-O 3.57Å; C190-C193 WeakPolarHBondContact CB-O 3.41Å; C193-K195 PolarHBondContact O-N 3.16Å; C193-H206 PolarHBondContact SG-NE2 3.35Å; C193-H210 WeakPolarHBondContact CB-CE1 3.49Å; C193-H210 PolarHBondContact SG-CE1 3.5Å; C193-H210 PolarHBondContact SG-NE2 3.17Å
194	T	77.9	Confident	81.3	Confident	121 Å²	121	80.4 Å²	80.4	74%	0.742	41%	0.414	S	S	*	.	S	Bend	trans	-61.3	-13	180	55.4	0	0	0	0	115.2	S196	T194-S196 PolarHBondContact O-N 3.41Å; T194-S196 PolarHBondContact O-OG 2.8Å
195	K	79.3	Confident	81.3	Confident	85 Å²	85	81.7 Å²	81.7	37%	0.37	41%	0.412	S	S	.	.			trans	-67.7	123.1	-171.1	-68	173.3	177.6	165.4	0	111.7	C190 C193 F197 E448	C190-K195 WeakPolarHBondContact CB-O 3.49Å; C190-K195 PolarHBondContact N-O 3.39Å; C193-K195 PolarHBondContact O-N 3.16Å; K195-F197 HydrophobicContact CB-CE2 3.98Å; K195-F197 HydrophobicContact CB-CZ 4.16Å; K195-F197 VanDerWaalsContact O-CE2 3.31Å; K195-F197 WeakPolarHBondContact O-CE2 3.35Å; K195-E448 IonicContact NZ-OE2 2.94Å; K195-E448 PolarHBondContact NZ-OE2 3.45Å
196	S	85	Confident	81.2	Confident	24 Å²	24	77.1 Å²	77.1	17%	0.168	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	141.6	-173.9	-59.3	0	0	0	0	112.8	R186 K189 T194	R186-S196 WeakPolarHBondContact CD-O 3.49Å; R186-S196 PolarHBondContact NH1-O 2.85Å; K189-S196 WeakPolarHBondContact CG-OG 3.48Å; T194-S196 PolarHBondContact O-N 3.41Å; T194-S196 PolarHBondContact O-OG 2.8Å
197	F	84.8	Confident	80.8	Confident	48 Å²	48	74 Å²	74	21%	0.211	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	151.7	-167.1	-60.1	-93.1	0	0	0	113.7	R186 F188 K195 Q199 H202 L203 H206	R186-F197 CarbonylContact C-O 3.52Å; R186-F197 VanDerWaalsContact C-O 3.23Å; R186-F197 WeakPolarHBondContact CA-O 3.36Å; F188-F197 HydrophobicContact CB-CB 4.38Å; F188-F197 WeakPolarHBondContact CB-O 3.18Å; F188-F197 PolarHBondContact N-O 3.02Å; F188-F197 PolarHBondContact O-N 3.47Å; K195-F197 HydrophobicContact CB-CE2 3.98Å; K195-F197 HydrophobicContact CB-CZ 4.16Å; K195-F197 VanDerWaalsContact O-CE2 3.31Å; K195-F197 WeakPolarHBondContact O-CE2 3.35Å; F197-Q199 VanDerWaalsContact C-N 3.35Å; F197-H202 HydrophobicContact CB-CB 4.43Å; F197-H202 HydrophobicContact CD1-CB 4Å; F197-H202 HydrophobicContact CG-CB 4.48Å; F197-L203 HydrophobicContact CB-CB 4.48Å; F197-L203 HydrophobicContact CD2-CB 4.27Å; F197-L203 HydrophobicContact CD2-CD1 4.14Å; F197-L203 HydrophobicContact CE2-CD1 4.44Å; F197-H206 HydrophobicContact CE1-CB 4.14Å; F197-H206 HydrophobicContact CE2-CB 3.96Å; F197-H206 AromaticContact CE2-CD2 3.19Å; F197-H206 WeakPolarHBondContact CE2-CD2 3.4Å; F197-H206 AromaticContact CE2-CG 3.68Å; F197-H206 AromaticContact CE2-NE2 3.99Å; F197-H206 HydrophobicContact CZ-CB 3.59Å; F197-H206 AromaticContact CZ-CD2 3.39Å; F197-H206 WeakPolarHBondContact CZ-CD2 3.49Å; F197-H206 AromaticContact CZ-CG 3.39Å
198	R	83.8	Confident	80.4	Confident	77 Å²	77	72.2 Å²	72.2	29%	0.291	37%	0.368	S	S	.	.	S	Bend	trans	-79.9	-8.9	175.2	-71	175.1	173.2	153.1	-8.2	114.6	L180 I181 G184 Q185 R186	L180-R198 HydrophobicContact CB-CG 4.42Å; L180-R198 VanDerWaalsContact O-CZ 3.27Å; L180-R198 PolarHBondContact O-NE 2.83Å; L180-R198 PolarHBondContact O-NH2 3.24Å; L180-R198 VanDerWaalsContact O-NH2 3.16Å; I181-R198 PolarHBondContact O-NH2 3.35Å; G184-R198 PolarHBondContact O-NH2 2.88Å; Q185-R198 WeakPolarHBondContact O-CG 3.16Å; R186-R198 HydrophobicContact CG-CG 4.1Å
199	Q	82.6	Confident	79.7	Confident	48 Å²	48	72.3 Å²	72.3	22%	0.224	38%	0.375	C	S	.	.			trans	-146.2	135	-177.3	-55.9	-169.6	42.1	0	0	111.1	R177 F188 F197 T201 H202 L203	R177-Q199 HydrophobicContact CG-CG 4.23Å; F188-Q199 VanDerWaalsContact CD2-C 3.46Å; F197-Q199 VanDerWaalsContact C-N 3.35Å; Q199-T201 PolarHBondContact O-N 2.77Å; Q199-H202 HydrophobicContact CB-CB 4.44Å; Q199-H202 PolarHBondContact O-N 2.93Å; Q199-L203 PolarHBondContact O-N 3.29Å; Q199-L203 VanDerWaalsContact O-N 3.07Å
200	S	81.9	Confident	79.2	Confident	55 Å²	55	69 Å²	69	39%	0.385	36%	0.362	S	S	.	.	H	α-helix	trans	-60.5	-29.9	176.6	56.8	0	0	0	0	113.5	L203 K204	S200-L203 PolarHBondContact O-N 3.15Å; S200-K204 WeakPolarHBondContact O-CG 3.45Å; S200-K204 PolarHBondContact O-N 2.81Å
201	T	79.4	Confident	78.2	Confident	72 Å²	72	70.1 Å²	70.1	44%	0.442	37%	0.37	S	S	.	.	H	α-helix	trans	-64.6	-38.6	172.8	49.1	0	0	0	0	112.4	Q199 I205	Q199-T201 PolarHBondContact O-N 2.77Å; T201-I205 WeakPolarHBondContact O-CG1 3.41Å; T201-I205 PolarHBondContact O-N 2.92Å; T201-I205 VanDerWaalsContact O-N 3.09Å
202	H	82.1	Confident	77.4	Confident	91 Å²	91	70.4 Å²	70.4	42%	0.421	36%	0.362	S	S	.	.	H	α-helix	trans	-73.5	-37.9	176.3	-63.3	173.5	0	0	0	111.1	F197 Q199 I205 H206	F197-H202 HydrophobicContact CB-CB 4.43Å; F197-H202 HydrophobicContact CD1-CB 4Å; F197-H202 HydrophobicContact CG-CB 4.48Å; Q199-H202 HydrophobicContact CB-CB 4.44Å; Q199-H202 PolarHBondContact O-N 2.93Å; H202-I205 PolarHBondContact O-N 2.91Å; H202-H206 WeakPolarHBondContact O-CB 3.44Å; H202-H206 PolarHBondContact O-N 2.96Å
203	L	82.3	Confident	76.8	Confident	21 Å²	21	69.7 Å²	69.7	11%	0.11	36%	0.356	C	S	.	.	H	α-helix	trans	-58.6	-47.4	170.1	173.5	60.1	0	0	0	111.3	F188 K189 C190 F197 Q199 S200 I205 H206 Q207	F188-L203 HydrophobicContact CB-CB 4.05Å; F188-L203 HydrophobicContact CB-CD2 3.88Å; K189-L203 VanDerWaalsContact O-CD2 3.29Å; K189-L203 WeakPolarHBondContact O-CD2 3.48Å; C190-L203 HydrophobicContact CB-CD1 3.82Å; F197-L203 HydrophobicContact CB-CB 4.48Å; F197-L203 HydrophobicContact CD2-CB 4.27Å; F197-L203 HydrophobicContact CD2-CD1 4.14Å; F197-L203 HydrophobicContact CE2-CD1 4.44Å; Q199-L203 PolarHBondContact O-N 3.29Å; Q199-L203 VanDerWaalsContact O-N 3.07Å; S200-L203 PolarHBondContact O-N 3.15Å; L203-I205 VanDerWaalsContact C-N 3.34Å; L203-I205 PolarHBondContact O-N 3.32Å; L203-H206 CarbonylContact O-C 3.6Å; L203-H206 WeakPolarHBondContact O-CA 3.44Å; L203-H206 WeakPolarHBondContact O-CB 3.43Å; L203-H206 PolarHBondContact O-N 3.44Å; L203-Q207 HydrophobicContact CD1-CG 4.11Å; L203-Q207 HydrophobicContact CG-CG 4.42Å; L203-Q207 WeakPolarHBondContact O-CG 3.37Å; L203-Q207 PolarHBondContact O-N 3.22Å
204	K	78.8	Confident	76.2	Confident	145 Å²	145	74.2 Å²	74.2	63%	0.63	37%	0.368	S	S	*	.	H	α-helix	trans	-61.5	-39	177.6	-74.6	-178.8	177.9	-172.8	0	113	S200 H206 Q207 L208	S200-K204 WeakPolarHBondContact O-CG 3.45Å; S200-K204 PolarHBondContact O-N 2.81Å; K204-H206 VanDerWaalsContact C-N 3.28Å; K204-H206 PolarHBondContact O-N 3.43Å; K204-Q207 PolarHBondContact O-N 3.37Å; K204-L208 PolarHBondContact O-N 3.39Å
205	I	78.6	Confident	75.8	Confident	64 Å²	64	71.4 Å²	71.4	33%	0.328	35%	0.352	S	S	.	.	H	α-helix	trans	-67	-30.1	173.6	-71	166.8	0	0	0	111.8	T201 H202 L203 I227	T201-I205 WeakPolarHBondContact O-CG1 3.41Å; T201-I205 PolarHBondContact O-N 2.92Å; T201-I205 VanDerWaalsContact O-N 3.09Å; H202-I205 PolarHBondContact O-N 2.91Å; L203-I205 VanDerWaalsContact C-N 3.34Å; L203-I205 PolarHBondContact O-N 3.32Å; I205-I227 HydrophobicContact CG2-CD1 3.62Å; I205-I227 HydrophobicContact CG2-CG1 3.77Å
206	H	77.3	Confident	75.3	Confident	21 Å²	21	70.6 Å²	70.6	10%	0.097	35%	0.349	C	S	.	.	H	α-helix	trans	-81	-29.1	173.7	172.3	52.6	0	0	0	113.4	C193 F197 H202 L203 K204 L208 T209 H210	C193-H206 PolarHBondContact SG-NE2 3.35Å; F197-H206 HydrophobicContact CE1-CB 4.14Å; F197-H206 HydrophobicContact CE2-CB 3.96Å; F197-H206 AromaticContact CE2-CD2 3.19Å; F197-H206 WeakPolarHBondContact CE2-CD2 3.4Å; F197-H206 AromaticContact CE2-CG 3.68Å; F197-H206 AromaticContact CE2-NE2 3.99Å; F197-H206 HydrophobicContact CZ-CB 3.59Å; F197-H206 AromaticContact CZ-CD2 3.39Å; F197-H206 WeakPolarHBondContact CZ-CD2 3.49Å; F197-H206 AromaticContact CZ-CG 3.39Å; H202-H206 WeakPolarHBondContact O-CB 3.44Å; H202-H206 PolarHBondContact O-N 2.96Å; L203-H206 CarbonylContact O-C 3.6Å; L203-H206 WeakPolarHBondContact O-CA 3.44Å; L203-H206 WeakPolarHBondContact O-CB 3.43Å; L203-H206 PolarHBondContact O-N 3.44Å; K204-H206 VanDerWaalsContact C-N 3.28Å; K204-H206 PolarHBondContact O-N 3.43Å; H206-L208 PolarHBondContact O-N 2.81Å; H206-T209 PolarHBondContact CE1-OG1 3.38Å; H206-T209 PolarHBondContact ND1-OG1 3.11Å; H206-T209 WeakPolarHBondContact O-CA 3.27Å; H206-T209 WeakPolarHBondContact O-CB 3.4Å; H206-T209 PolarHBondContact O-N 3.01Å; H206-T209 PolarHBondContact O-OG1 3.09Å; H206-H210 AromaticContact CD2-NE2 3.41Å; H206-H210 PolarHBondContact CD2-NE2 3.2Å; H206-H210 AromaticContact CE1-CD2 3.86Å; H206-H210 AromaticContact CE1-NE2 2.85Å; H206-H210 PolarHBondContact CE1-NE2 2.91Å; H206-H210 AromaticContact ND1-NE2 3.91Å; H206-H210 AromaticContact NE2-CD2 3.86Å; H206-H210 AromaticContact NE2-NE2 2.42Å; H206-H210 PolarHBondContact NE2-NE2 3.43Å; H206-H210 PolarHBondContact O-CD2 2.91Å
207	Q	75.1	Confident	74.2	Confident	79 Å²	79	75 Å²	75	37%	0.369	37%	0.366	S	S	.	.	H	α-helix	trans	-61.4	-36.1	169.6	-73.4	169.7	-48.6	0	0	110.4	L203 K204 T209 H210 S211	L203-Q207 HydrophobicContact CD1-CG 4.11Å; L203-Q207 HydrophobicContact CG-CG 4.42Å; L203-Q207 WeakPolarHBondContact O-CG 3.37Å; L203-Q207 PolarHBondContact O-N 3.22Å; K204-Q207 PolarHBondContact O-N 3.37Å; Q207-T209 PolarHBondContact O-N 2.98Å; Q207-T209 VanDerWaalsContact O-N 3.16Å; Q207-H210 PolarHBondContact O-N 3.05Å; Q207-S211 PolarHBondContact O-N 2.73Å; Q207-S211 VanDerWaalsContact O-N 3.16Å
208	L	75.2	Confident	73.2	Confident	37 Å²	37	72.8 Å²	72.8	19%	0.194	36%	0.357	C	S	.	.	H	α-helix	trans	-64.8	-7.4	167.5	-62.8	177.3	0	0	0	114.6	K204 H206 E213 P215 K226	K204-L208 PolarHBondContact O-N 3.39Å; H206-L208 PolarHBondContact O-N 2.81Å; L208-E213 HydrophobicContact CD2-CB 4.23Å; L208-P215 HydrophobicContact CD1-CG 4.39Å; L208-P215 HydrophobicContact CD2-CG 4.38Å; L208-K226 WeakPolarHBondContact O-CD 3.5Å; L208-K226 WeakPolarHBondContact O-CE 3.34Å; L208-K226 PolarHBondContact O-NZ 2.89Å
209	T	68.7	Low	72.3	Confident	79 Å²	79	73.3 Å²	73.3	49%	0.485	37%	0.372	S	S	.	.	H	α-helix	trans	-83.5	-27.3	167.6	65.5	0	0	0	0	112.6	H206 Q207 K226	H206-T209 PolarHBondContact CE1-OG1 3.38Å; H206-T209 PolarHBondContact ND1-OG1 3.11Å; H206-T209 WeakPolarHBondContact O-CA 3.27Å; H206-T209 WeakPolarHBondContact O-CB 3.4Å; H206-T209 PolarHBondContact O-N 3.01Å; H206-T209 PolarHBondContact O-OG1 3.09Å; Q207-T209 PolarHBondContact O-N 2.98Å; Q207-T209 VanDerWaalsContact O-N 3.16Å; T209-K226 PolarHBondContact O-NZ 2.95Å
210	H	71.5	Confident	70.8	Confident	82 Å²	82	77.4 Å²	77.4	38%	0.38	39%	0.389	S	S	.	.	H	α-helix	trans	-80.9	-39.2	176.5	-66.2	-77.9	0	0	0	112.4	C190 L192 C193 H206 Q207	C190-H210 PolarHBondContact SG-NE2 3.05Å; L192-H210 HydrophobicContact CB-CB 4.41Å; L192-H210 HydrophobicContact CD1-CB 3.59Å; L192-H210 PolarHBondContact O-CE1 3.5Å; C193-H210 WeakPolarHBondContact CB-CE1 3.49Å; C193-H210 PolarHBondContact SG-CE1 3.5Å; C193-H210 PolarHBondContact SG-NE2 3.17Å; H206-H210 AromaticContact CD2-NE2 3.41Å; H206-H210 PolarHBondContact CD2-NE2 3.2Å; H206-H210 AromaticContact CE1-CD2 3.86Å; H206-H210 AromaticContact CE1-NE2 2.85Å; H206-H210 PolarHBondContact CE1-NE2 2.91Å; H206-H210 AromaticContact ND1-NE2 3.91Å; H206-H210 AromaticContact NE2-CD2 3.86Å; H206-H210 AromaticContact NE2-NE2 2.42Å; H206-H210 PolarHBondContact NE2-NE2 3.43Å; H206-H210 PolarHBondContact O-CD2 2.91Å; Q207-H210 PolarHBondContact O-N 3.05Å
211	S	62.9	Low	70	Confident	37 Å²	37	76.9 Å²	76.9	26%	0.259	39%	0.385	S	S	.	.	S	Bend	trans	-77	143.4	164.1	63.4	0	0	0	0	110.5	Q207 E213 K226	Q207-S211 PolarHBondContact O-N 2.73Å; Q207-S211 VanDerWaalsContact O-N 3.16Å; S211-E213 PolarHBondContact O-N 2.77Å; S211-K226 PolarHBondContact O-NZ 2.83Å
212	E	60.8	Low	69.2	Low	139 Å²	139	80.8 Å²	80.8	65%	0.65	40%	0.398	S	S	*	.			trans	-65.1	-16.3	174	-92.1	-68.4	101.6	0	0	112.6	R214	E212-R214 WeakPolarHBondContact O-CG 3.44Å; E212-R214 PolarHBondContact O-N 3.35Å; E212-R214 PolarHBondContact O-NE 3.29Å; E212-R214 IonicContact OE1-NH2 3.33Å; E212-R214 IonicContact OE2-CZ 2.65Å; E212-R214 IonicContact OE2-NH2 3.78Å; E212-R214 PolarHBondContact OE2-NH2 3.29Å
213	E	63.3	Low	68.4	Low	104 Å²	104	82.8 Å²	82.8	49%	0.486	41%	0.406	S	S	.	.			trans	-44.7	130.7	-177.2	-74.2	-175.1	-124.1	0	0	114	L208 S211 K226	L208-E213 HydrophobicContact CD2-CB 4.23Å; S211-E213 PolarHBondContact O-N 2.77Å; E213-K226 WeakPolarHBondContact O-CE 3.37Å; E213-K226 WeakPolarHBondContact O-CG 3.19Å
214	R	68.1	Low	67.9	Low	129 Å²	129	82.9 Å²	82.9	49%	0.487	41%	0.412	S	S	.	.			trans	-128	72.4	177.2	-69.4	164.1	-153	-162.6	7.2	110.2	E212 F216 F225 K226	E212-R214 WeakPolarHBondContact O-CG 3.44Å; E212-R214 PolarHBondContact O-N 3.35Å; E212-R214 PolarHBondContact O-NE 3.29Å; E212-R214 IonicContact OE1-NH2 3.33Å; E212-R214 IonicContact OE2-CZ 2.65Å; E212-R214 IonicContact OE2-NH2 3.78Å; E212-R214 PolarHBondContact OE2-NH2 3.29Å; R214-F216 PolarHBondContact O-N 2.88Å; R214-F225 CarbonylContact C-O 3.42Å; R214-F225 VanDerWaalsContact C-O 3.31Å; R214-K226 HydrophobicContact CG-CG 3.99Å
215	P	69.7	Low	67.7	Low	63 Å²	63	78.2 Å²	78.2	41%	0.409	39%	0.391	S	S	.	.			trans	-63.6	-9.2	-165.1	-24.1	35.6	0	0	0	116.3	L208	L208-P215 HydrophobicContact CD1-CG 4.39Å; L208-P215 HydrophobicContact CD2-CG 4.38Å
216	F	68.6	Low	67.2	Low	68 Å²	68	77.6 Å²	77.6	30%	0.298	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	85.8	-176.8	-56.2	-76.7	0	0	0	110.5	R214 F225 Q228 L231	R214-F216 PolarHBondContact O-N 2.88Å; F216-F225 HydrophobicContact CB-CB 4.34Å; F216-F225 WeakPolarHBondContact CB-O 3.17Å; F216-F225 PolarHBondContact N-O 2.94Å; F216-F225 VanDerWaalsContact N-O 3.08Å; F216-F225 WeakPolarHBondContact O-CB 3.43Å; F216-F225 WeakPolarHBondContact O-CD2 3.2Å; F216-F225 PolarHBondContact O-N 3.41Å; F216-Q228 HydrophobicContact CD1-CB 3.7Å; F216-Q228 HydrophobicContact CD1-CG 4Å; F216-Q228 HydrophobicContact CD2-CB 4.44Å; F216-Q228 VanDerWaalsContact CD2-N 3.34Å; F216-Q228 HydrophobicContact CE1-CB 3.67Å; F216-Q228 HydrophobicContact CE1-CG 4.1Å; F216-Q228 HydrophobicContact CE2-CB 4.4Å; F216-Q228 HydrophobicContact CG-CB 4.1Å; F216-Q228 HydrophobicContact CZ-CB 4.03Å; F216-L231 HydrophobicContact CB-CB 4.08Å; F216-L231 HydrophobicContact CB-CD2 3.83Å
217	Q	63.3	Low	67.1	Low	116 Å²	116	79.2 Å²	79.2	54%	0.542	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	148.7	-177.7	-153.7	177.1	10.8	0	0	113.6	Q222 L231	Q217-Q222 WeakPolarHBondContact CG-O 3.17Å; Q217-Q222 PolarHBondContact NE2-O 2.75Å; Q217-L231 WeakPolarHBondContact O-CD2 3.37Å
218	C	63.2	Low	67	Low	1 Å²	1	81.7 Å²	81.7	1%	0.007	41%	0.407	C	S	.	.			trans	-91.1	115.1	176.1	-168.9	0	0	0	0	112.5	F220 C221 Q222 K223 F225 L231	C218-F220 PolarHBondContact O-N 3.44Å; C218-C221 PolarHBondContact O-N 3.36Å; C218-Q222 WeakPolarHBondContact O-CA 3.4Å; C218-Q222 PolarHBondContact O-N 2.97Å; C218-K223 WeakPolarHBondContact CB-O 3.48Å; C218-K223 PolarHBondContact N-O 3.21Å; C218-F225 HydrophobicContact CB-CE2 4.4Å; C218-L231 HydrophobicContact CB-CD1 3.65Å
219	C	65.4	Low	67	Low	89 Å²	89	83.5 Å²	83.5	60%	0.601	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-15	175.6	54.8	0	0	0	0	115.6	K235	C219-K235 PolarHBondContact SG-NZ 2.97Å
220	F	50.9	Low	67.3	Low	133 Å²	133	85.9 Å²	85.9	58%	0.583	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-10.1	-178	-59.6	-62.8	0	0	0	114.6	C218 K235 H238	C218-F220 PolarHBondContact O-N 3.44Å; F220-K235 HydrophobicContact CD2-CG 4.5Å; F220-K235 HydrophobicContact CE2-CD 4.44Å; F220-H238 HydrophobicContact CB-CB 4.19Å; F220-H238 HydrophobicContact CD2-CB 4.01Å; F220-H238 HydrophobicContact CG-CB 4.22Å
221	C	64.8	Low	67.5	Low	45 Å²	45	82.9 Å²	82.9	30%	0.304	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160	11.6	-176.3	65.7	0	0	0	0	114.2	C218 K223 H234 H238	C218-C221 PolarHBondContact O-N 3.36Å; C221-K223 PolarHBondContact O-N 2.72Å; C221-H234 PolarHBondContact SG-NE2 3.09Å; C221-H238 PolarHBondContact SG-NE2 3.26Å
222	Q	62.8	Low	68.2	Low	153 Å²	153	86.4 Å²	86.4	72%	0.715	43%	0.428	S	S	*	.			trans	53.7	5	-177.9	-57.4	-167.9	14.8	0	0	117.2	Q217 C218 G224	Q217-Q222 WeakPolarHBondContact CG-O 3.17Å; Q217-Q222 PolarHBondContact NE2-O 2.75Å; C218-Q222 WeakPolarHBondContact O-CA 3.4Å; C218-Q222 PolarHBondContact O-N 2.97Å; Q222-G224 PolarHBondContact O-N 3.46Å
223	K	66.1	Low	68.9	Low	134 Å²	134	87 Å²	87	58%	0.583	43%	0.428	S	S	*	.			trans	-64.5	121.5	177.6	-65.8	-170.6	178.5	-172.6	0	111.3	C218 C221 F225	C218-K223 WeakPolarHBondContact CB-O 3.48Å; C218-K223 PolarHBondContact N-O 3.21Å; C221-K223 PolarHBondContact O-N 2.72Å; K223-F225 HydrophobicContact CB-CE2 4.08Å; K223-F225 HydrophobicContact CB-CZ 4.38Å; K223-F225 WeakPolarHBondContact O-CD2 3.26Å; K223-F225 VanDerWaalsContact O-CE2 3.27Å; K223-F225 WeakPolarHBondContact O-CE2 3.38Å
224	G	70.7	Confident	69.5	Low	23 Å²	23	83.6 Å²	83.6	24%	0.237	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	141.8	177	0	0	0	0	0	113.3	Q222	Q222-G224 PolarHBondContact O-N 3.46Å
225	F	74.1	Confident	69.5	Low	47 Å²	47	80.5 Å²	80.5	21%	0.206	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.8	175.4	-63.1	-92.2	0	0	0	111.7	R214 F216 C218 K223 I227 K230 L231 H234	R214-F225 CarbonylContact C-O 3.42Å; R214-F225 VanDerWaalsContact C-O 3.31Å; F216-F225 HydrophobicContact CB-CB 4.34Å; F216-F225 WeakPolarHBondContact CB-O 3.17Å; F216-F225 PolarHBondContact N-O 2.94Å; F216-F225 VanDerWaalsContact N-O 3.08Å; F216-F225 WeakPolarHBondContact O-CB 3.43Å; F216-F225 WeakPolarHBondContact O-CD2 3.2Å; F216-F225 PolarHBondContact O-N 3.41Å; C218-F225 HydrophobicContact CB-CE2 4.4Å; K223-F225 HydrophobicContact CB-CE2 4.08Å; K223-F225 HydrophobicContact CB-CZ 4.38Å; K223-F225 WeakPolarHBondContact O-CD2 3.26Å; K223-F225 VanDerWaalsContact O-CE2 3.27Å; K223-F225 WeakPolarHBondContact O-CE2 3.38Å; F225-I227 VanDerWaalsContact C-N 3.31Å; F225-K230 HydrophobicContact CB-CB 4.49Å; F225-K230 HydrophobicContact CD1-CB 3.92Å; F225-K230 HydrophobicContact CG-CB 4.49Å; F225-L231 HydrophobicContact CB-CB 4.2Å; F225-L231 HydrophobicContact CD2-CB 3.96Å; F225-L231 HydrophobicContact CD2-CD1 3.78Å; F225-L231 HydrophobicContact CD2-CG 4.48Å; F225-L231 HydrophobicContact CE2-CD1 4.06Å; F225-L231 HydrophobicContact CG-CB 4.19Å; F225-H234 HydrophobicContact CE1-CB 4.07Å; F225-H234 HydrophobicContact CE2-CB 3.92Å; F225-H234 AromaticContact CE2-CD2 3.4Å; F225-H234 VanDerWaalsContact CE2-CD2 3.4Å; F225-H234 WeakPolarHBondContact CE2-CD2 3.47Å; F225-H234 AromaticContact CE2-CG 3.72Å; F225-H234 HydrophobicContact CZ-CB 3.5Å; F225-H234 AromaticContact CZ-CD2 3.43Å; F225-H234 VanDerWaalsContact CZ-CD2 3.43Å; F225-H234 WeakPolarHBondContact CZ-CD2 3.49Å; F225-H234 AromaticContact CZ-CG 3.3Å; F225-H234 AromaticContact CZ-ND1 3.89Å
226	K	68.9	Low	69.8	Low	50 Å²	50	83.1 Å²	83.1	22%	0.217	41%	0.409	C	S	.	.	S	Bend	trans	-80.9	-8.3	177.5	-60.6	-177.5	162.8	-154.5	0	113.1	L208 T209 S211 E213 R214	L208-K226 WeakPolarHBondContact O-CD 3.5Å; L208-K226 WeakPolarHBondContact O-CE 3.34Å; L208-K226 PolarHBondContact O-NZ 2.89Å; T209-K226 PolarHBondContact O-NZ 2.95Å; S211-K226 PolarHBondContact O-NZ 2.83Å; E213-K226 WeakPolarHBondContact O-CE 3.37Å; E213-K226 WeakPolarHBondContact O-CG 3.19Å; R214-K226 HydrophobicContact CG-CG 3.99Å
227	I	75.9	Confident	69.9	Low	56 Å²	56	84.2 Å²	84.2	29%	0.287	42%	0.417	S	S	.	.	S	Bend	trans	-144.1	131.9	178.8	-44.7	175.7	0	0	0	111.2	I205 F225 S229 K230 L231	I205-I227 HydrophobicContact CG2-CD1 3.62Å; I205-I227 HydrophobicContact CG2-CG1 3.77Å; F225-I227 VanDerWaalsContact C-N 3.31Å; I227-S229 VanDerWaalsContact C-N 3.3Å; I227-S229 WeakPolarHBondContact CG2-OG 3.48Å; I227-S229 PolarHBondContact O-N 2.84Å; I227-K230 HydrophobicContact CB-CG 4.23Å; I227-K230 WeakPolarHBondContact O-CB 3.12Å; I227-K230 PolarHBondContact O-N 3.03Å; I227-L231 PolarHBondContact O-N 3.38Å
228	Q	71.6	Confident	69.9	Low	130 Å²	130	80.9 Å²	80.9	61%	0.607	40%	0.402	S	S	*	.	H	α-helix	trans	-55.2	-37.2	178.9	-167.1	-178.6	0.3	0	0	114.3	F216 K230 L231 L232	F216-Q228 HydrophobicContact CD1-CB 3.7Å; F216-Q228 HydrophobicContact CD1-CG 4Å; F216-Q228 HydrophobicContact CD2-CB 4.44Å; F216-Q228 VanDerWaalsContact CD2-N 3.34Å; F216-Q228 HydrophobicContact CE1-CB 3.67Å; F216-Q228 HydrophobicContact CE1-CG 4.1Å; F216-Q228 HydrophobicContact CE2-CB 4.4Å; F216-Q228 HydrophobicContact CG-CB 4.1Å; F216-Q228 HydrophobicContact CZ-CB 4.03Å; Q228-K230 VanDerWaalsContact C-N 3.3Å; Q228-K230 PolarHBondContact O-N 3.39Å; Q228-L231 WeakPolarHBondContact O-CB 3.48Å; Q228-L231 PolarHBondContact O-N 3.25Å; Q228-L232 PolarHBondContact O-N 3.1Å
229	S	75.4	Confident	69.7	Low	75 Å²	75	85.2 Å²	85.2	52%	0.524	43%	0.428	S	S	.	.	H	α-helix	trans	-69.1	-26.6	179.3	60.3	0	0	0	0	113.3	I227 K233	I227-S229 VanDerWaalsContact C-N 3.3Å; I227-S229 WeakPolarHBondContact CG2-OG 3.48Å; I227-S229 PolarHBondContact O-N 2.84Å; S229-K233 PolarHBondContact O-N 3.16Å
230	K	74.4	Confident	69.1	Low	130 Å²	130	86.4 Å²	86.4	57%	0.565	42%	0.42	S	S	*	.	H	α-helix	trans	-74.2	-42.3	171.4	-66	-78	-173.3	163	0	110.5	F225 I227 Q228 L232 K233 H234	F225-K230 HydrophobicContact CB-CB 4.49Å; F225-K230 HydrophobicContact CD1-CB 3.92Å; F225-K230 HydrophobicContact CG-CB 4.49Å; I227-K230 HydrophobicContact CB-CG 4.23Å; I227-K230 WeakPolarHBondContact O-CB 3.12Å; I227-K230 PolarHBondContact O-N 3.03Å; Q228-K230 VanDerWaalsContact C-N 3.3Å; Q228-K230 PolarHBondContact O-N 3.39Å; K230-L232 VanDerWaalsContact C-N 3.34Å; K230-L232 PolarHBondContact O-N 3.28Å; K230-K233 PolarHBondContact O-N 3.49Å; K230-H234 WeakPolarHBondContact O-CB 3.46Å; K230-H234 PolarHBondContact O-N 3.44Å
231	L	76.1	Confident	69.2	Low	19 Å²	19	84.8 Å²	84.8	10%	0.099	42%	0.418	C	S	.	.	H	α-helix	trans	-58.2	-44.4	171.7	172.8	63.6	0	0	0	111.6	F216 Q217 C218 F225 I227 Q228 K233 H234 K235	F216-L231 HydrophobicContact CB-CB 4.08Å; F216-L231 HydrophobicContact CB-CD2 3.83Å; Q217-L231 WeakPolarHBondContact O-CD2 3.37Å; C218-L231 HydrophobicContact CB-CD1 3.65Å; F225-L231 HydrophobicContact CB-CB 4.2Å; F225-L231 HydrophobicContact CD2-CB 3.96Å; F225-L231 HydrophobicContact CD2-CD1 3.78Å; F225-L231 HydrophobicContact CD2-CG 4.48Å; F225-L231 HydrophobicContact CE2-CD1 4.06Å; F225-L231 HydrophobicContact CG-CB 4.19Å; I227-L231 PolarHBondContact O-N 3.38Å; Q228-L231 WeakPolarHBondContact O-CB 3.48Å; Q228-L231 PolarHBondContact O-N 3.25Å; L231-K233 PolarHBondContact O-N 3.3Å; L231-H234 CarbonylContact O-C 3.09Å; L231-H234 WeakPolarHBondContact O-CB 3.19Å; L231-H234 PolarHBondContact O-N 2.75Å; L231-H234 VanDerWaalsContact O-N 3.13Å; L231-K235 HydrophobicContact CD1-CD 4.48Å; L231-K235 HydrophobicContact CD1-CG 4.05Å; L231-K235 HydrophobicContact CG-CG 4.43Å; L231-K235 PolarHBondContact O-N 3.46Å
232	L	77.6	Confident	68.3	Low	111 Å²	111	90.9 Å²	90.9	58%	0.581	44%	0.439	S	S	*	.	H	α-helix	trans	-61.4	-46.3	-179.6	-175.8	62.1	0	0	0	111.7	Q228 K230 H234 K235 Q236	Q228-L232 PolarHBondContact O-N 3.1Å; K230-L232 VanDerWaalsContact C-N 3.34Å; K230-L232 PolarHBondContact O-N 3.28Å; L232-H234 VanDerWaalsContact C-N 3.29Å; L232-H234 PolarHBondContact O-N 3.24Å; L232-K235 PolarHBondContact O-N 2.84Å; L232-Q236 PolarHBondContact O-N 3.32Å
233	K	77.1	Confident	67.6	Low	150 Å²	150	87.7 Å²	87.7	65%	0.652	43%	0.43	S	S	*	.	H	α-helix	trans	-61.8	-36.1	173.3	-71.8	-168.8	175.2	-160.3	0	112.5	S229 K230 L231 Q236	S229-K233 PolarHBondContact O-N 3.16Å; K230-K233 PolarHBondContact O-N 3.49Å; L231-K233 PolarHBondContact O-N 3.3Å; K233-Q236 PolarHBondContact O-N 3.24Å
234	H	74.6	Confident	66.4	Low	33 Å²	33	88.2 Å²	88.2	15%	0.153	43%	0.432	C	S	.	.	H	α-helix	trans	-68.9	-38.9	175.9	-179.7	63.5	0	0	0	113	C221 F225 K230 L231 L232 Q236 I237 H238	C221-H234 PolarHBondContact SG-NE2 3.09Å; F225-H234 HydrophobicContact CE1-CB 4.07Å; F225-H234 HydrophobicContact CE2-CB 3.92Å; F225-H234 AromaticContact CE2-CD2 3.4Å; F225-H234 VanDerWaalsContact CE2-CD2 3.4Å; F225-H234 WeakPolarHBondContact CE2-CD2 3.47Å; F225-H234 AromaticContact CE2-CG 3.72Å; F225-H234 HydrophobicContact CZ-CB 3.5Å; F225-H234 AromaticContact CZ-CD2 3.43Å; F225-H234 VanDerWaalsContact CZ-CD2 3.43Å; F225-H234 WeakPolarHBondContact CZ-CD2 3.49Å; F225-H234 AromaticContact CZ-CG 3.3Å; F225-H234 AromaticContact CZ-ND1 3.89Å; K230-H234 WeakPolarHBondContact O-CB 3.46Å; K230-H234 PolarHBondContact O-N 3.44Å; L231-H234 CarbonylContact O-C 3.09Å; L231-H234 WeakPolarHBondContact O-CB 3.19Å; L231-H234 PolarHBondContact O-N 2.75Å; L231-H234 VanDerWaalsContact O-N 3.13Å; L232-H234 VanDerWaalsContact C-N 3.29Å; L232-H234 PolarHBondContact O-N 3.24Å; H234-Q236 VanDerWaalsContact C-N 3.25Å; H234-Q236 PolarHBondContact O-N 3.18Å; H234-I237 WeakPolarHBondContact O-CB 3.47Å; H234-I237 PolarHBondContact O-N 3.15Å; H234-I237 VanDerWaalsContact O-N 3.09Å; H234-H238 AromaticContact CD2-NE2 3.71Å; H234-H238 AromaticContact CE1-NE2 3.43Å; H234-H238 PolarHBondContact CE1-NE2 3.13Å; H234-H238 AromaticContact NE2-CD2 3.76Å; H234-H238 AromaticContact NE2-NE2 2.96Å; H234-H238 PolarHBondContact NE2-NE2 3.06Å; H234-H238 PolarHBondContact O-CD2 3.08Å
235	K	68.9	Low	64.9	Low	64 Å²	64	96.9 Å²	96.9	28%	0.278	46%	0.458	S	S	.	.	H	α-helix	trans	-60.9	-33.7	176.2	-73.8	-164.9	179.8	-163.8	0	112.5	C219 F220 L231 L232 I237 H238 T239	C219-K235 PolarHBondContact SG-NZ 2.97Å; F220-K235 HydrophobicContact CD2-CG 4.5Å; F220-K235 HydrophobicContact CE2-CD 4.44Å; L231-K235 HydrophobicContact CD1-CD 4.48Å; L231-K235 HydrophobicContact CD1-CG 4.05Å; L231-K235 HydrophobicContact CG-CG 4.43Å; L231-K235 PolarHBondContact O-N 3.46Å; L232-K235 PolarHBondContact O-N 2.84Å; K235-I237 PolarHBondContact O-N 2.91Å; K235-H238 PolarHBondContact O-N 3.26Å; K235-T239 PolarHBondContact O-N 3.01Å; K235-T239 PolarHBondContact O-OG1 3.11Å
236	Q	76.3	Confident	63.5	Low	118 Å²	118	97.3 Å²	97.3	55%	0.551	47%	0.47	S	S	*	.	H	α-helix	trans	-61.1	-28.6	175.3	-67.4	171.6	-40.8	0	0	113.1	L232 K233 H234 T239 R240	L232-Q236 PolarHBondContact O-N 3.32Å; K233-Q236 PolarHBondContact O-N 3.24Å; H234-Q236 VanDerWaalsContact C-N 3.25Å; H234-Q236 PolarHBondContact O-N 3.18Å; Q236-T239 PolarHBondContact O-N 3.42Å; Q236-R240 PolarHBondContact O-N 3.24Å; Q236-R240 VanDerWaalsContact O-N 3.1Å
237	I	70.6	Confident	62.5	Low	91 Å²	91	100.4 Å²	100.4	47%	0.467	49%	0.488	S	S	.	.	H	α-helix	trans	-68.8	-39.7	177.1	-53.3	174.3	0	0	0	110.7	H234 K235 R240 N241	H234-I237 WeakPolarHBondContact O-CB 3.47Å; H234-I237 PolarHBondContact O-N 3.15Å; H234-I237 VanDerWaalsContact O-N 3.09Å; K235-I237 PolarHBondContact O-N 2.91Å; I237-R240 WeakPolarHBondContact O-CB 3.42Å; I237-R240 PolarHBondContact O-N 2.88Å; I237-N241 PolarHBondContact O-N 3.19Å
238	H	63.2	Low	60.9	Low	46 Å²	46	103.6 Å²	103.6	21%	0.213	51%	0.505	C	S	.	.	H	α-helix	trans	-64.6	-40.4	175.5	-67.3	-71.1	0	0	0	111.9	F220 C221 H234 K235 R240 N241 K242	F220-H238 HydrophobicContact CB-CB 4.19Å; F220-H238 HydrophobicContact CD2-CB 4.01Å; F220-H238 HydrophobicContact CG-CB 4.22Å; C221-H238 PolarHBondContact SG-NE2 3.26Å; H234-H238 AromaticContact CD2-NE2 3.71Å; H234-H238 AromaticContact CE1-NE2 3.43Å; H234-H238 PolarHBondContact CE1-NE2 3.13Å; H234-H238 AromaticContact NE2-CD2 3.76Å; H234-H238 AromaticContact NE2-NE2 2.96Å; H234-H238 PolarHBondContact NE2-NE2 3.06Å; H234-H238 PolarHBondContact O-CD2 3.08Å; K235-H238 PolarHBondContact O-N 3.26Å; H238-R240 VanDerWaalsContact C-N 3.3Å; H238-R240 PolarHBondContact O-N 3.24Å; H238-N241 PolarHBondContact O-N 2.91Å; H238-K242 PolarHBondContact O-N 3.16Å; H238-K242 VanDerWaalsContact O-N 3.11Å
239	T	58.7	Low	59.7	Low	93 Å²	93	103.7 Å²	103.7	57%	0.571	51%	0.509	S	S	*	.	H	α-helix	trans	-58.9	-42.1	173	-44	0	0	0	0	111.4	K235 Q236	K235-T239 PolarHBondContact O-N 3.01Å; K235-T239 PolarHBondContact O-OG1 3.11Å; Q236-T239 PolarHBondContact O-N 3.42Å
240	R	53	Low	58.2	Low	113 Å²	113	106.9 Å²	106.9	43%	0.426	51%	0.514	S	S	.	.	H	α-helix	trans	-64.2	-44.5	177.5	-164.6	177.6	-169.3	136.3	12	112.5	Q236 I237 H238 K242 V243 F244 E304	Q236-R240 PolarHBondContact O-N 3.24Å; Q236-R240 VanDerWaalsContact O-N 3.1Å; I237-R240 WeakPolarHBondContact O-CB 3.42Å; I237-R240 PolarHBondContact O-N 2.88Å; H238-R240 VanDerWaalsContact C-N 3.3Å; H238-R240 PolarHBondContact O-N 3.24Å; R240-K242 PolarHBondContact O-N 3.24Å; R240-V243 PolarHBondContact O-N 3.08Å; R240-F244 PolarHBondContact O-N 3.26Å; R240-E304 IonicContact CZ-OE1 2.7Å; R240-E304 IonicContact NE-OE1 3.11Å; R240-E304 IonicContact NH1-OE1 3.32Å; R240-E304 PolarHBondContact NH1-OE1 2.77Å
241	N	51.8	Low	56.3	Low	99 Å²	99	109.7 Å²	109.7	53%	0.529	53%	0.526	S	S	.	.	H	α-helix	trans	-68.1	-33.2	-179.3	-77.4	-4.6	0	0	0	113.4	I237 H238 V243 F244 R245	I237-N241 PolarHBondContact O-N 3.19Å; H238-N241 PolarHBondContact O-N 2.91Å; N241-V243 VanDerWaalsContact C-N 3.34Å; N241-V243 PolarHBondContact O-N 2.88Å; N241-F244 PolarHBondContact O-N 3.46Å; N241-R245 PolarHBondContact O-N 2.94Å
242	K	46.5	Very low	54.3	Low	173 Å²	173	120 Å²	120	75%	0.752	56%	0.563	S	S	*	*	H	α-helix	trans	-63.1	-40.1	176.4	-169.4	173.8	-178.9	179.3	0	111.9	H238 R240 A246	H238-K242 PolarHBondContact O-N 3.16Å; H238-K242 VanDerWaalsContact O-N 3.11Å; R240-K242 PolarHBondContact O-N 3.24Å; K242-A246 PolarHBondContact O-N 3.42Å
243	V	47.2	Very low	52	Low	87 Å²	87	125.8 Å²	125.8	53%	0.527	58%	0.577	S	S	.	*	H	α-helix	trans	-63.9	-41	175.3	177.8	0	0	0	0	111.3	R240 N241 R245 A246 L247	R240-V243 PolarHBondContact O-N 3.08Å; N241-V243 VanDerWaalsContact C-N 3.34Å; N241-V243 PolarHBondContact O-N 2.88Å; V243-R245 PolarHBondContact O-N 3.4Å; V243-A246 PolarHBondContact O-N 2.65Å; V243-L247 HydrophobicContact CG1-CD1 4.2Å; V243-L247 PolarHBondContact O-N 3.28Å
244	F	42.7	Very low	49.8	Very low	145 Å²	145	124.3 Å²	124.3	64%	0.636	58%	0.581	S	S	*	*	H	α-helix	trans	-66	-39.2	-177.3	-138.7	-86.8	0	0	0	113.1	R240 N241	R240-F244 PolarHBondContact O-N 3.26Å; N241-F244 PolarHBondContact O-N 3.46Å
245	R	37.8	Very low	47.8	Very low	205 Å²	205	131.5 Å²	131.5	77%	0.774	62%	0.615	S	S	*	*	H	α-helix	trans	-66.9	-36.4	172.9	-80.6	-169.1	171.5	-167.5	-3	112.8	N241 V243 L247 L248	N241-R245 PolarHBondContact O-N 2.94Å; V243-R245 PolarHBondContact O-N 3.4Å; R245-L247 PolarHBondContact O-N 3.04Å; R245-L248 PolarHBondContact O-N 3.29Å
246	A	45.3	Very low	45.9	Very low	55 Å²	55	134.5 Å²	134.5	46%	0.455	64%	0.644	S	S	.	*	H	α-helix	trans	-66.5	-34.3	-179.3	0	0	0	0	0	113.3	K242 V243	K242-A246 PolarHBondContact O-N 3.42Å; V243-A246 PolarHBondContact O-N 2.65Å
247	L	47.7	Very low	43.4	Very low	116 Å²	116	140.4 Å²	140.4	61%	0.607	66%	0.661	S	S	*	*	H	α-helix	trans	-70.1	-34.9	179.6	-70.7	169.1	0	0	0	113.1	V243 R245 L249 K250	V243-L247 HydrophobicContact CG1-CD1 4.2Å; V243-L247 PolarHBondContact O-N 3.28Å; R245-L247 PolarHBondContact O-N 3.04Å; L247-L249 VanDerWaalsContact C-N 3.35Å; L247-L249 PolarHBondContact O-N 3.48Å; L247-K250 PolarHBondContact O-N 3.44Å
248	L	43.3	Very low	41.5	Very low	123 Å²	123	141.9 Å²	141.9	64%	0.644	68%	0.677	S	S	*	*	H	α-helix	trans	-64.6	-37.5	178.2	-78.7	161.4	0	0	0	112.5	R245 K251	R245-L248 PolarHBondContact O-N 3.29Å; L248-K251 PolarHBondContact O-N 3.35Å
249	L	46.3	Very low	40.1	Very low	131 Å²	131	147 Å²	147	69%	0.686	71%	0.705	S	S	*	*	H	α-helix	trans	-68.1	-35.6	-179.8	-73.2	165	0	0	0	113	L247 K251 R252	L247-L249 VanDerWaalsContact C-N 3.35Å; L247-L249 PolarHBondContact O-N 3.48Å; L249-K251 VanDerWaalsContact C-N 3.28Å; L249-K251 PolarHBondContact O-N 3.24Å; L249-R252 PolarHBondContact O-N 3.42Å
250	K	43.5	Very low	39	Very low	143 Å²	143	148.2 Å²	148.2	62%	0.622	71%	0.714	S	S	*	*	H	α-helix	trans	-68.6	-22.7	-179.2	-72	-165.1	175.1	-171.4	0	113.6	L247 R252	L247-K250 PolarHBondContact O-N 3.44Å; K250-R252 VanDerWaalsContact C-N 3.33Å; K250-R252 PolarHBondContact O-N 3.48Å
251	K	34.4	Very low	37.8	Very low	188 Å²	188	150 Å²	150	82%	0.817	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-16.8	179.6	-153.3	-169.2	174.2	-166.2	0	114	L248 L249	L248-K251 PolarHBondContact O-N 3.35Å; L249-K251 VanDerWaalsContact C-N 3.28Å; L249-K251 PolarHBondContact O-N 3.24Å
252	R	33.5	Very low	37	Very low	236 Å²	236	154.2 Å²	154.2	89%	0.891	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	4	-179.6	-86.9	-169.6	172.4	-169.2	-3	115	L249 K250	L249-R252 PolarHBondContact O-N 3.42Å; K250-R252 VanDerWaalsContact C-N 3.33Å; K250-R252 PolarHBondContact O-N 3.48Å
253	R	29.8	Very low	36.3	Very low	232 Å²	232	152.9 Å²	152.9	88%	0.875	75%	0.746	S	S	*	*	S	Bend	trans	-123.3	34.2	-174.3	-70.8	-168.2	172.5	-164	-2.1	113.7
254	T	31.6	Very low	35.3	Very low	120 Å²	120	155.7 Å²	155.7	74%	0.736	76%	0.758	S	S	*	*	S	Bend	trans	-132.2	11.8	-174	-36.1	0	0	0	0	113.7
255	E	31.9	Very low	34.7	Very low	184 Å²	184	152 Å²	152	86%	0.86	75%	0.754	S	S	*	*	S	Bend	trans	-129.2	151	175.2	-71.4	169.2	177.2	0	0	108.7
256	S	28.7	Very low	34.4	Very low	126 Å²	126	149.2 Å²	149.2	88%	0.881	76%	0.755	S	S	*	*			trans	61.4	102.2	-175.4	67.9	0	0	0	0	120
257	R	24.8	Very low	33.8	Very low	243 Å²	243	155.4 Å²	155.4	92%	0.917	77%	0.774	S	S	*	*				-161.9	123.3	128.5	-147.4	-179.8	-168	-167.3	2.9	112.1
258	P	30.5	Very low	32.7	Very low	122 Å²	122	153.7 Å²	153.7	79%	0.792	78%	0.784	S	S	*	*			trans	-84.1	-179.1	167.7	-11.7	29.9	0	0	0	113.3
259	L	34	Very low	32.1	Very low	154 Å²	154	151.2 Å²	151.2	81%	0.806	79%	0.788	S	S	*	*			trans	-142	137.7	-179.5	-164.3	94.6	0	0	0	111.7
260	P	33.9	Very low	31.2	Very low	117 Å²	117	154.4 Å²	154.4	76%	0.76	80%	0.797	S	S	*	*			trans	-128.5	145.1	131	9.3	12.8	0	0	0	110.4
261	N	27.6	Very low	30.6	Very low	151 Å²	151	154.6 Å²	154.6	81%	0.807	80%	0.8	S	S	*	*				97.9	149.5	53.7	-94.5	-3.3	0	0	0	114.3
262	K	36.3	Very low	30.2	Very low	187 Å²	187	152.5 Å²	152.5	81%	0.813	80%	0.798	S	S	*	*			trans	-90.9	171.6	-163.9	-46.8	176.6	-178	-179.4	0	112.2
263	L	31.7	Very low	30	Very low	146 Å²	146	145 Å²	145	76%	0.764	79%	0.794	S	S	*	*			cis	-145.2	-163.2	30.8	-61.2	158.9	0	0	0	109.4
264	N	27	Very low	29.8	Very low	146 Å²	146	142.5 Å²	142.5	78%	0.781	79%	0.792	S	S	*	*			cis	-158.1	-144.9	-8.3	-131.1	22.7	0	0	0	108.5
265	A	29.2	Very low	29.8	Very low	66 Å²	66	144 Å²	144	55%	0.545	79%	0.794	S	S	.	*				-156.3	156.6	-96.4	0	0	0	0	0	113
266	N	31.4	Very low	29.6	Very low	147 Å²	147	138.3 Å²	138.3	79%	0.786	79%	0.785	S	S	*	*			trans	66.6	148.1	170.6	-61.8	-2.7	0	0	0	116.6
267	Q	32	Very low	29.4	Very low	186 Å²	186	141.1 Å²	141.1	87%	0.869	78%	0.784	S	S	*	*			cis	-152.7	160.7	-1.4	-111	160.3	1.6	0	0	106.6
268	G	25.8	Very low	29.5	Very low	79 Å²	79	134.1 Å²	134.1	81%	0.814	77%	0.773	S	S	*	*			cis	169.9	166.9	-4.2	0	0	0	0	0	110
269	G	29.7	Very low	29.4	Very low	71 Å²	71	137.2 Å²	137.2	73%	0.732	78%	0.777	S	S	*	*			trans	132.1	108.4	166.7	0	0	0	0	0	118.9
270	F	27	Very low	29	Very low	198 Å²	198	137.7 Å²	137.7	87%	0.868	78%	0.775	S	S	*	*			trans	10.2	137.8	137.2	-67.1	-94	0	0	0	119.7
271	E	31.7	Very low	28.5	Very low	148 Å²	148	138.6 Å²	138.6	69%	0.692	77%	0.773	S	S	*	*			cis	-147.3	147.6	6.8	-73.4	-141.1	112.8	0	0	115.8
272	N	26.7	Very low	28.8	Very low	144 Å²	144	138.7 Å²	138.7	77%	0.77	77%	0.774	S	S	*	*			trans	28.7	122.1	134.2	-46	-34.7	0	0	0	121.6
273	G	28.3	Very low	28.7	Very low	78 Å²	78	135 Å²	135	80%	0.804	77%	0.769	S	S	*	*			trans	171.8	85.1	166	0	0	0	0	0	111.2	I275	G273-I275 PolarHBondContact O-N 2.79Å
274	E	26.8	Very low	28.5	Very low	180 Å²	180	135.4 Å²	135.4	84%	0.841	77%	0.771	S	S	*	*			trans	-78.6	124.1	-163.1	-74.9	-165.8	126.9	0	0	115.8
275	I	30.8	Very low	28.5	Very low	150 Å²	150	133.3 Å²	133.3	77%	0.769	76%	0.76	S	S	*	*			trans	64	127.1	138.4	-57.3	167.9	0	0	0	117	G273	G273-I275 PolarHBondContact O-N 2.79Å
276	G	27.8	Very low	28.5	Very low	66 Å²	66	137 Å²	137	68%	0.68	78%	0.776	S	S	*	*			cis	138.7	118.2	7.1	0	0	0	0	0	110.4
277	E	24	Very low	28.4	Very low	184 Å²	184	135.9 Å²	135.9	86%	0.86	77%	0.765	S	S	*	*			trans	-85.3	174.2	-164.1	-49.9	179.8	127	0	0	114.5
278	S	27.8	Very low	28.2	Very low	97 Å²	97	132.1 Å²	132.1	68%	0.678	76%	0.759	S	S	*	*			trans	45.5	114.2	137.8	-60.4	0	0	0	0	122.2
279	E	29	Very low	28.3	Very low	186 Å²	186	136 Å²	136	87%	0.869	76%	0.76	S	S	*	*				93.9	146.5	125.1	-70.4	-164.8	146.9	0	0	124.4
280	E	25.6	Very low	28.3	Very low	165 Å²	165	142.8 Å²	142.8	77%	0.771	77%	0.765	S	S	*	*			trans	86.4	129	155	-111.9	-165.3	-156.6	0	0	124.4
281	N	23.1	Very low	28.4	Very low	135 Å²	135	140.9 Å²	140.9	72%	0.722	76%	0.762	S	S	*	*			trans	91.3	128.8	155.6	-67	-61.6	0	0	0	123.5
282	N	32.9	Very low	28.5	Very low	153 Å²	153	138.8 Å²	138.8	82%	0.818	76%	0.759	S	S	*	*			trans	-62.4	156.3	173	-94	-94	0	0	0	113.2
283	P	35.5	Very low	29.2	Very low	109 Å²	109	136 Å²	136	71%	0.708	75%	0.749	S	S	*	*				-163.8	180	83.9	44.1	-22.8	0	0	0	120.5
284	L	25.8	Very low	29.9	Very low	155 Å²	155	137 Å²	137	81%	0.812	73%	0.731	S	S	*	*			trans	74.3	133.5	164.2	-53.1	177.8	0	0	0	117.3
285	D	27.9	Very low	30.6	Very low	102 Å²	102	133.3 Å²	133.3	55%	0.545	71%	0.714	S	S	.	*			cis	75.3	94.6	34.8	-173	13.4	0	0	0	116.2	H287	D285-H287 IonicContact OD1-CE1 3.7Å; D285-H287 PolarHBondContact OD1-N 3.24Å; D285-H287 IonicContact OD1-ND1 3.89Å; D285-H287 PolarHBondContact OD1-ND1 3.48Å; D285-H287 IonicContact OD2-CE1 3.26Å; D285-H287 PolarHBondContact OD2-CE1 2.81Å; D285-H287 VanDerWaalsContact OD2-CE1 3.26Å; D285-H287 IonicContact OD2-ND1 3.64Å; D285-H287 PolarHBondContact OD2-ND1 3.02Å
286	V	29.2	Very low	31.2	Very low	145 Å²	145	126.1 Å²	126.1	88%	0.879	68%	0.677	S	S	*	*			trans	-125	71.6	160	-169.5	0	0	0	0	111.6
287	H	29	Very low	32.4	Very low	123 Å²	123	128.8 Å²	128.8	57%	0.569	68%	0.683	S	S	*	*				50	109.8	127.6	-78.4	48.8	0	0	0	119.6	D285	D285-H287 IonicContact OD1-CE1 3.7Å; D285-H287 PolarHBondContact OD1-N 3.24Å; D285-H287 IonicContact OD1-ND1 3.89Å; D285-H287 PolarHBondContact OD1-ND1 3.48Å; D285-H287 IonicContact OD2-CE1 3.26Å; D285-H287 PolarHBondContact OD2-CE1 2.81Å; D285-H287 VanDerWaalsContact OD2-CE1 3.26Å; D285-H287 IonicContact OD2-ND1 3.64Å; D285-H287 PolarHBondContact OD2-ND1 3.02Å
288	S	28.7	Very low	33.4	Very low	106 Å²	106	126.9 Å²	126.9	74%	0.741	67%	0.671	S	S	*	*			trans	-78.2	136.1	159.6	-60.1	0	0	0	0	112
289	I	28.2	Very low	34.5	Very low	160 Å²	160	124.3 Å²	124.3	82%	0.821	65%	0.653	S	S	*	*			trans	-111.9	103.1	163.9	-59.1	-179.3	0	0	0	109.2
290	Y	28.1	Very low	35.6	Very low	214 Å²	214	122.4 Å²	122.4	84%	0.839	64%	0.644	S	S	*	*			trans	-109.7	131.3	167.8	-90.3	-88.8	0	0	0	109.9
291	I	29.6	Very low	36.3	Very low	159 Å²	159	120.5 Å²	120.5	82%	0.815	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-73.3	129.6	-177.3	-61.8	171.8	0	0	0	110.2
292	V	33.3	Very low	37.2	Very low	104 Å²	104	117 Å²	117	63%	0.63	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-80.4	124.8	175.4	-180	0	0	0	0	110
293	P	41.3	Very low	37.8	Very low	86 Å²	86	111.2 Å²	111.2	56%	0.558	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-85.6	125.8	175.4	33	-32.1	0	0	0	111.6
294	F	44.6	Very low	37.9	Very low	98 Å²	98	113 Å²	113	43%	0.43	59%	0.585	S	S	.	*			trans	69.6	95.8	167.1	-45.2	-65.1	0	0	0	117.5	F303 L309	F294-F303 PolarHBondContact O-N 3.21Å; F294-L309 HydrophobicContact CB-CD2 4.19Å
295	Q	41.4	Very low	38.7	Very low	102 Å²	102	107.6 Å²	107.6	48%	0.477	56%	0.56	S	S	.	*	B	Isolated β-bridge	trans	-116.9	144.3	169.8	-173.2	-179.7	19.5	0	0	109.5	P297 E300 K301	Q295-P297 WeakPolarHBondContact O-CD 3.47Å; Q295-E300 VanDerWaalsContact CG-O 3.29Å; Q295-E300 WeakPolarHBondContact CG-O 3.34Å; Q295-E300 PolarHBondContact NE2-O 2.7Å; Q295-K301 WeakPolarHBondContact CA-O 3.26Å
296	C	43.4	Very low	39.2	Very low	0 Å²	0	108 Å²	108	0%	0	56%	0.559	C	S	.	*			trans	-82.1	120.9	177.1	-173.6	0	0	0	0	112.2	K298 C299 E300 K301 F303 L309	C296-K298 PolarHBondContact O-N 2.81Å; C296-C299 VanDerWaalsContact CB-SG 3.54Å; C296-C299 PolarHBondContact O-N 2.83Å; C296-E300 WeakPolarHBondContact O-CA 3.29Å; C296-E300 PolarHBondContact O-N 3.02Å; C296-K301 PolarHBondContact N-O 3.34Å; C296-F303 HydrophobicContact CB-CE2 3.98Å; C296-L309 HydrophobicContact CB-CD1 3.44Å; C296-L309 VanDerWaalsContact CB-CD1 3.44Å
297	P	51.4	Low	39.9	Very low	122 Å²	122	105.9 Å²	105.9	79%	0.792	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-5.8	-177.1	-22.8	34.8	0	0	0	116.4	Q295	Q295-P297 WeakPolarHBondContact O-CD 3.47Å
298	K	46.8	Very low	40.8	Very low	143 Å²	143	103.7 Å²	103.7	62%	0.622	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-13.2	-179.7	-64.2	-169.8	-167.1	168.1	0	114.7	C296 C314	C296-K298 PolarHBondContact O-N 2.81Å; K298-C314 HydrophobicContact CB-CB 4.01Å; K298-C314 HydrophobicContact CD-CB 4.1Å; K298-C314 HydrophobicContact CG-CB 4.49Å; K298-C314 PolarHBondContact NZ-O 3.28Å
299	C	50.3	Low	41.8	Very low	43 Å²	43	99.6 Å²	99.6	29%	0.291	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.9	3.1	-178.6	72	0	0	0	0	113.8	C296 K301 H312	C296-C299 VanDerWaalsContact CB-SG 3.54Å; C296-C299 PolarHBondContact O-N 2.83Å; C299-K301 PolarHBondContact O-N 3.11Å; C299-H312 PolarHBondContact SG-CE1 2.92Å
300	E	50.9	Low	42.7	Very low	147 Å²	147	96.9 Å²	96.9	69%	0.687	49%	0.488	S	S	*	.			trans	55.7	5	177.9	-60.2	-164.5	159.4	0	0	117	Q295 C296	Q295-E300 VanDerWaalsContact CG-O 3.29Å; Q295-E300 WeakPolarHBondContact CG-O 3.34Å; Q295-E300 PolarHBondContact NE2-O 2.7Å; C296-E300 WeakPolarHBondContact O-CA 3.29Å; C296-E300 PolarHBondContact O-N 3.02Å
301	K	40.3	Very low	43.7	Very low	124 Å²	124	93.3 Å²	93.3	54%	0.539	48%	0.479	S	S	.	.			trans	-67.5	135.2	174.6	-65.9	176.5	-175	175.4	0	111	Q295 C296 C299 F303	Q295-K301 WeakPolarHBondContact CA-O 3.26Å; C296-K301 PolarHBondContact N-O 3.34Å; C299-K301 PolarHBondContact O-N 3.11Å; K301-F303 HydrophobicContact CB-CE2 3.68Å; K301-F303 HydrophobicContact CB-CZ 3.6Å; K301-F303 HydrophobicContact CD-CZ 4.43Å; K301-F303 WeakPolarHBondContact O-CD2 3.37Å; K301-F303 WeakPolarHBondContact O-CE2 3.42Å
302	C	41.9	Very low	44.7	Very low	61 Å²	61	87.3 Å²	87.3	41%	0.412	45%	0.447	S	S	.	.	B	Isolated β-bridge	trans	-97.3	133.9	176.3	-58.8	0	0	0	0	110.7
303	F	46	Very low	45.5	Very low	32 Å²	32	87.3 Å²	87.3	14%	0.14	45%	0.452	C	S	.	.			trans	-114.5	154.1	-172.7	-65.4	-80.5	0	0	0	112.2	F294 C296 K301 S305 I308 L309 H312	F294-F303 PolarHBondContact O-N 3.21Å; C296-F303 HydrophobicContact CB-CE2 3.98Å; K301-F303 HydrophobicContact CB-CE2 3.68Å; K301-F303 HydrophobicContact CB-CZ 3.6Å; K301-F303 HydrophobicContact CD-CZ 4.43Å; K301-F303 WeakPolarHBondContact O-CD2 3.37Å; K301-F303 WeakPolarHBondContact O-CE2 3.42Å; F303-S305 VanDerWaalsContact C-N 3.28Å; F303-S305 PolarHBondContact O-N 2.91Å; F303-I308 HydrophobicContact CB-CB 4.38Å; F303-I308 HydrophobicContact CD1-CB 4.24Å; F303-I308 HydrophobicContact CD1-CG2 3.58Å; F303-I308 HydrophobicContact CE1-CG2 4.21Å; F303-I308 HydrophobicContact CG-CG2 4.39Å; F303-L309 HydrophobicContact CB-CB 4.38Å; F303-L309 HydrophobicContact CD2-CB 4.04Å; F303-L309 HydrophobicContact CD2-CD1 3.93Å; F303-L309 HydrophobicContact CE2-CD1 4.1Å; F303-L309 HydrophobicContact CG-CB 4.35Å; F303-H312 HydrophobicContact CZ-CB 4.33Å; F303-H312 AromaticContact CZ-CD2 3.44Å; F303-H312 VanDerWaalsContact CZ-CD2 3.44Å; F303-H312 WeakPolarHBondContact CZ-CD2 3.21Å; F303-H312 AromaticContact CZ-CG 3.97Å
304	E	38.8	Very low	45.9	Very low	148 Å²	148	84.1 Å²	84.1	69%	0.692	43%	0.431	S	S	*	.	S	Bend	trans	-77.8	-14.3	-179.3	-54.9	-145.5	117.4	0	0	113.6	R240	R240-E304 IonicContact CZ-OE1 2.7Å; R240-E304 IonicContact NE-OE1 3.11Å; R240-E304 IonicContact NH1-OE1 3.32Å; R240-E304 PolarHBondContact NH1-OE1 2.77Å
305	S	41.2	Very low	45.8	Very low	40 Å²	40	85.7 Å²	85.7	28%	0.28	44%	0.438	S	S	.	.	S	Bend	trans	-157.1	156.6	171.2	69.2	0	0	0	0	111.8	F303 Q307 I308 L309	F303-S305 VanDerWaalsContact C-N 3.28Å; F303-S305 PolarHBondContact O-N 2.91Å; S305-Q307 PolarHBondContact O-N 3.01Å; S305-I308 PolarHBondContact O-N 2.91Å; S305-I308 VanDerWaalsContact O-N 3.1Å; S305-L309 PolarHBondContact O-N 2.96Å
306	E	38.9	Very low	45.4	Very low	111 Å²	111	85.3 Å²	85.3	52%	0.519	44%	0.444	S	S	.	.	H	α-helix	trans	-56	-33.4	175.9	-173	179	-172.2	0	0	113	I308 L309 N310	E306-I308 VanDerWaalsContact C-N 3.32Å; E306-I308 PolarHBondContact O-N 2.9Å; E306-L309 WeakPolarHBondContact O-CB 3.31Å; E306-L309 PolarHBondContact O-N 2.71Å; E306-N310 VanDerWaalsContact O-CG 3.24Å; E306-N310 PolarHBondContact O-N 3.03Å; E306-N310 PolarHBondContact O-ND2 3.11Å
307	Q	44.2	Very low	45.2	Very low	100 Å²	100	90.4 Å²	90.4	47%	0.467	49%	0.487	S	S	.	.	H	α-helix	trans	-60.4	-39.3	175.7	-70.2	177.8	-17.2	0	0	112.3	S305 N310 E311 H472	S305-Q307 PolarHBondContact O-N 3.01Å; Q307-N310 PolarHBondContact O-N 3.15Å; Q307-E311 PolarHBondContact O-N 3.23Å; Q307-E311 VanDerWaalsContact O-N 3.16Å; Q307-H472 PolarHBondContact NE2-NE2 3.44Å
308	I	48.2	Very low	44.4	Very low	77 Å²	77	93 Å²	93	40%	0.395	48%	0.481	S	S	.	.	H	α-helix	trans	-76.9	-30.8	-178.6	-53.6	166.7	0	0	0	110.8	F303 S305 E306 N310 E311 H312	F303-I308 HydrophobicContact CB-CB 4.38Å; F303-I308 HydrophobicContact CD1-CB 4.24Å; F303-I308 HydrophobicContact CD1-CG2 3.58Å; F303-I308 HydrophobicContact CE1-CG2 4.21Å; F303-I308 HydrophobicContact CG-CG2 4.39Å; S305-I308 PolarHBondContact O-N 2.91Å; S305-I308 VanDerWaalsContact O-N 3.1Å; E306-I308 VanDerWaalsContact C-N 3.32Å; E306-I308 PolarHBondContact O-N 2.9Å; I308-N310 VanDerWaalsContact C-N 3.34Å; I308-E311 PolarHBondContact O-N 2.85Å; I308-H312 PolarHBondContact O-N 3.13Å
309	L	48.9	Very low	43.6	Very low	20 Å²	20	89.9 Å²	89.9	11%	0.105	49%	0.489	C	S	.	.	H	α-helix	trans	-63.7	-40.2	170.8	171.9	59.7	0	0	0	111.4	F294 C296 F303 S305 E306 H312	F294-L309 HydrophobicContact CB-CD2 4.19Å; C296-L309 HydrophobicContact CB-CD1 3.44Å; C296-L309 VanDerWaalsContact CB-CD1 3.44Å; F303-L309 HydrophobicContact CB-CB 4.38Å; F303-L309 HydrophobicContact CD2-CB 4.04Å; F303-L309 HydrophobicContact CD2-CD1 3.93Å; F303-L309 HydrophobicContact CE2-CD1 4.1Å; F303-L309 HydrophobicContact CG-CB 4.35Å; S305-L309 PolarHBondContact O-N 2.96Å; E306-L309 WeakPolarHBondContact O-CB 3.31Å; E306-L309 PolarHBondContact O-N 2.71Å; L309-H312 WeakPolarHBondContact O-CB 3.5Å; L309-H312 PolarHBondContact O-N 3.49Å
310	N	46.8	Very low	42.8	Very low	103 Å²	103	90.7 Å²	90.7	55%	0.551	51%	0.505	S	S	*	.	H	α-helix	trans	-75.9	-21.8	-179.5	-65	-13.2	0	0	0	113.3	E306 Q307 I308 H312	E306-N310 VanDerWaalsContact O-CG 3.24Å; E306-N310 PolarHBondContact O-N 3.03Å; E306-N310 PolarHBondContact O-ND2 3.11Å; Q307-N310 PolarHBondContact O-N 3.15Å; I308-N310 VanDerWaalsContact C-N 3.34Å; N310-H312 VanDerWaalsContact C-N 3.33Å
311	E	50.6	Low	41.9	Very low	139 Å²	139	93 Å²	93	65%	0.65	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-0	170.3	-70.8	178.3	175.1	0	0	113	Q307 I308	Q307-E311 PolarHBondContact O-N 3.23Å; Q307-E311 VanDerWaalsContact O-N 3.16Å; I308-E311 PolarHBondContact O-N 2.85Å
312	H	50.7	Low	41.4	Very low	34 Å²	34	94 Å²	94	16%	0.157	52%	0.523	C	S	.	.	S	Bend	trans	-81.2	141.7	-179.1	-168.3	-86.9	0	0	0	113	C299 F303 I308 L309 N310 C314 F315	C299-H312 PolarHBondContact SG-CE1 2.92Å; F303-H312 HydrophobicContact CZ-CB 4.33Å; F303-H312 AromaticContact CZ-CD2 3.44Å; F303-H312 VanDerWaalsContact CZ-CD2 3.44Å; F303-H312 WeakPolarHBondContact CZ-CD2 3.21Å; F303-H312 AromaticContact CZ-CG 3.97Å; I308-H312 PolarHBondContact O-N 3.13Å; L309-H312 WeakPolarHBondContact O-CB 3.5Å; L309-H312 PolarHBondContact O-N 3.49Å; N310-H312 VanDerWaalsContact C-N 3.33Å; H312-C314 PolarHBondContact CE1-SG 3.31Å; H312-C314 PolarHBondContact ND1-N 2.78Å; H312-C314 PolarHBondContact ND1-SG 2.83Å; H312-C314 PolarHBondContact O-N 3.05Å; H312-F315 PolarHBondContact O-N 3.15Å
313	S	48.6	Very low	40.6	Very low	103 Å²	103	96.9 Å²	96.9	72%	0.72	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	5.9	-176.1	57.3	0	0	0	0	117	F315	S313-F315 VanDerWaalsContact C-N 3.32Å
314	C	50.4	Low	40.1	Very low	20 Å²	20	100.4 Å²	100.4	14%	0.135	57%	0.569	C	S	.	*	T	Hydrogen-bonded Turn	trans	-82.1	-9.5	174.3	-71.4	0	0	0	0	113.4	K298 H312	K298-C314 HydrophobicContact CB-CB 4.01Å; K298-C314 HydrophobicContact CD-CB 4.1Å; K298-C314 HydrophobicContact CG-CB 4.49Å; K298-C314 PolarHBondContact NZ-O 3.28Å; H312-C314 PolarHBondContact CE1-SG 3.31Å; H312-C314 PolarHBondContact ND1-N 2.78Å; H312-C314 PolarHBondContact ND1-SG 2.83Å; H312-C314 PolarHBondContact O-N 3.05Å
315	F	41.4	Very low	40	Very low	130 Å²	130	104.5 Å²	104.5	57%	0.57	58%	0.578	S	S	*	*	S	Bend	trans	-120.8	86.4	171	-71.4	-82.3	0	0	0	110.9	H312 S313	H312-F315 PolarHBondContact O-N 3.15Å; S313-F315 VanDerWaalsContact C-N 3.32Å
316	P	34.1	Very low	39.4	Very low	94 Å²	94	111.9 Å²	111.9	61%	0.61	61%	0.605	S	S	*	*			trans	-66.5	138.1	167.5	-15.1	29.9	0	0	0	110	R318	P316-R318 PolarHBondContact O-N 3.32Å
317	A	39.4	Very low	39.3	Very low	108 Å²	108	116.7 Å²	116.7	89%	0.893	63%	0.625	S	S	*	*			trans	-60.9	131.6	157.7	0	0	0	0	0	108.2
318	R	35	Very low	38.6	Very low	177 Å²	177	122.9 Å²	122.9	67%	0.668	64%	0.643	S	S	*	*			trans	-134.9	91.1	179.2	-171.8	-174.4	-72.6	-119.9	0.5	111	P316 K321	P316-R318 PolarHBondContact O-N 3.32Å; R318-K321 PolarHBondContact NH1-O 3.49Å
319	G	30.1	Very low	37.7	Very low	76 Å²	76	124.1 Å²	124.1	78%	0.784	66%	0.659	S	S	*	*			trans	-70.3	155.6	137.4	0	0	0	0	0	109
320	G	32	Very low	37	Very low	61 Å²	61	134 Å²	134	63%	0.629	70%	0.697	S	S	*	*	S	Bend	trans	81.6	93.6	168.7	0	0	0	0	0	117
321	K	31.9	Very low	36.5	Very low	195 Å²	195	134 Å²	134	85%	0.848	70%	0.697	S	S	*	*			trans	59.4	158.8	142.4	-58.8	-178.2	179.6	-179.7	0	119.7	R318	R318-K321 PolarHBondContact NH1-O 3.49Å
322	I	29.7	Very low	35.7	Very low	146 Å²	146	136.2 Å²	136.2	75%	0.749	70%	0.7	S	S	*	*			trans	-133.7	126	-177.1	-61.6	170	0	0	0	108.4
323	P	25.7	Very low	35.1	Very low	120 Å²	120	142.4 Å²	142.4	78%	0.779	73%	0.727	S	S	*	*			trans	-83.6	127.7	157.1	-11.8	29.5	0	0	0	110
324	S	35.8	Very low	34.8	Very low	106 Å²	106	141.7 Å²	141.7	74%	0.741	72%	0.718	S	S	*	*			trans	-99.8	111	-175	48.7	0	0	0	0	112.7
325	R	35.5	Very low	34.5	Very low	234 Å²	234	145.8 Å²	145.8	88%	0.883	74%	0.738	S	S	*	*			trans	-165.8	171.7	153.7	-107.5	156.2	-164.4	-155.3	3	111
326	F	29.6	Very low	34.7	Very low	195 Å²	195	142 Å²	142	86%	0.855	73%	0.725	S	S	*	*			trans	67.3	60.6	-177.8	-57.7	-69.6	0	0	0	117.6	R328	F326-R328 PolarHBondContact O-N 3.34Å
327	K	37.1	Very low	35.2	Very low	213 Å²	213	144.9 Å²	144.9	93%	0.926	73%	0.728	S	S	*	*			trans	-66.9	114.2	141.4	-76.5	179.8	177.9	174.3	0	108.9
328	R	28.4	Very low	35.4	Very low	229 Å²	229	147.5 Å²	147.5	86%	0.864	72%	0.72	S	S	*	*			trans	-147.1	104	155.1	-103.6	-175.2	179.8	173.7	1	109.5	F326	F326-R328 PolarHBondContact O-N 3.34Å
329	S	29.1	Very low	35.7	Very low	104 Å²	104	143.7 Å²	143.7	73%	0.727	71%	0.711	S	S	*	*			trans	-91.7	111.7	-177.3	44.7	0	0	0	0	111.9	N331	S329-N331 PolarHBondContact O-N 3.28Å
330	Y	34.8	Very low	36.3	Very low	227 Å²	227	145 Å²	145	89%	0.89	70%	0.7	S	S	*	*			trans	-73.5	105.8	170	-88.1	-94.5	0	0	0	110.6	Y332	Y330-Y332 PolarHBondContact O-N 3.09Å
331	N	37.4	Very low	37	Very low	103 Å²	103	144.5 Å²	144.5	55%	0.551	69%	0.69	S	S	*	*			trans	-84.7	92.4	-178.3	-104.5	-52.1	0	0	0	112	S329 K333 T334	S329-N331 PolarHBondContact O-N 3.28Å; N331-K333 PolarHBondContact O-N 3.43Å; N331-T334 PolarHBondContact O-N 3.03Å; N331-T334 PolarHBondContact O-OG1 3.06Å
332	Y	32.6	Very low	37.4	Very low	185 Å²	185	143.4 Å²	143.4	73%	0.725	69%	0.685	S	S	*	*	H	α-helix	trans	-49.2	-29.5	171.5	-176	-105.7	0	0	0	113.5	Y330 T334 I335 V336	Y330-Y332 PolarHBondContact O-N 3.09Å; Y332-T334 VanDerWaalsContact C-N 3.33Å; Y332-T334 PolarHBondContact O-N 3.49Å; Y332-I335 PolarHBondContact O-N 3.42Å; Y332-V336 HydrophobicContact CD1-CG2 4.02Å; Y332-V336 HydrophobicContact CE1-CG2 3.65Å; Y332-V336 HydrophobicContact CE2-CG2 4.47Å; Y332-V336 PolarHBondContact O-N 2.96Å
333	K	37.6	Very low	38	Very low	164 Å²	164	141.9 Å²	141.9	71%	0.713	68%	0.678	S	S	*	*	H	α-helix	trans	-64.4	-25	-175.1	-143.8	171.1	-172.8	177.4	0	114.8	N331	N331-K333 PolarHBondContact O-N 3.43Å
334	T	42.8	Very low	39	Very low	89 Å²	89	144.6 Å²	144.6	55%	0.546	68%	0.678	S	S	.	*	H	α-helix	trans	-85.4	-32.9	176.9	35.8	0	0	0	0	113.1	N331 Y332 K337 K338	N331-T334 PolarHBondContact O-N 3.03Å; N331-T334 PolarHBondContact O-OG1 3.06Å; Y332-T334 VanDerWaalsContact C-N 3.33Å; Y332-T334 PolarHBondContact O-N 3.49Å; T334-K337 PolarHBondContact O-N 2.82Å; T334-K338 PolarHBondContact O-N 3.22Å; T334-K338 VanDerWaalsContact O-N 3.07Å
335	I	45.3	Very low	39.2	Very low	105 Å²	105	150.1 Å²	150.1	54%	0.538	68%	0.682	S	S	.	*	H	α-helix	trans	-65.7	-48.3	177.3	-61.4	175.7	0	0	0	110	Y332 K337 K338 I339	Y332-I335 PolarHBondContact O-N 3.42Å; I335-K337 VanDerWaalsContact C-N 3.3Å; I335-K337 PolarHBondContact O-N 3.03Å; I335-K338 PolarHBondContact O-N 2.93Å; I335-K338 VanDerWaalsContact O-N 3.08Å; I335-I339 HydrophobicContact CG2-CD1 3.94Å; I335-I339 WeakPolarHBondContact O-CG1 3.28Å; I335-I339 PolarHBondContact O-N 2.91Å
336	V	45.6	Very low	39.5	Very low	52 Å²	52	143.1 Å²	143.1	32%	0.315	68%	0.675	S	S	.	*	H	α-helix	trans	-59.4	-39.2	177	177.9	0	0	0	0	111.7	Y332 I339 L340	Y332-V336 HydrophobicContact CD1-CG2 4.02Å; Y332-V336 HydrophobicContact CE1-CG2 3.65Å; Y332-V336 HydrophobicContact CE2-CG2 4.47Å; Y332-V336 PolarHBondContact O-N 2.96Å; V336-I339 PolarHBondContact O-N 2.89Å; V336-L340 HydrophobicContact CG1-CD1 3.92Å; V336-L340 HydrophobicContact CG1-CG 4.43Å; V336-L340 WeakPolarHBondContact O-CB 3.4Å; V336-L340 WeakPolarHBondContact O-CG 3.4Å; V336-L340 PolarHBondContact O-N 3.42Å
337	K	44.3	Very low	39.7	Very low	154 Å²	154	145.1 Å²	145.1	67%	0.67	68%	0.676	S	S	*	*	H	α-helix	trans	-63	-42.1	173.5	-82.3	-170.1	172.6	-168.3	0	112.7	T334 I335 A341	T334-K337 PolarHBondContact O-N 2.82Å; I335-K337 VanDerWaalsContact C-N 3.3Å; I335-K337 PolarHBondContact O-N 3.03Å; K337-A341 WeakPolarHBondContact O-CB 3.31Å; K337-A341 PolarHBondContact O-N 3.27Å
338	K	42.4	Very low	39.6	Very low	163 Å²	163	139.8 Å²	139.8	71%	0.709	67%	0.666	S	S	*	*	H	α-helix	trans	-65.3	-36.9	176.4	-76.1	-170.8	175.1	-173.5	0	112.4	T334 I335 K342	T334-K338 PolarHBondContact O-N 3.22Å; T334-K338 VanDerWaalsContact O-N 3.07Å; I335-K338 PolarHBondContact O-N 2.93Å; I335-K338 VanDerWaalsContact O-N 3.08Å; K338-K342 PolarHBondContact O-N 2.7Å
339	I	42.4	Very low	40	Very low	96 Å²	96	138.4 Å²	138.4	49%	0.492	67%	0.666	S	S	.	*	H	α-helix	trans	-68.2	-48.1	176.7	-65.8	168.5	0	0	0	111.1	I335 V336 A341 K342 L343	I335-I339 HydrophobicContact CG2-CD1 3.94Å; I335-I339 WeakPolarHBondContact O-CG1 3.28Å; I335-I339 PolarHBondContact O-N 2.91Å; V336-I339 PolarHBondContact O-N 2.89Å; I339-A341 VanDerWaalsContact C-N 3.27Å; I339-A341 PolarHBondContact O-N 3.37Å; I339-K342 PolarHBondContact O-N 3.03Å; I339-K342 VanDerWaalsContact O-N 3.15Å; I339-L343 HydrophobicContact CG2-CD1 4.11Å; I339-L343 PolarHBondContact O-N 2.86Å
340	L	42.6	Very low	39.9	Very low	103 Å²	103	142.6 Å²	142.6	54%	0.539	67%	0.671	S	S	.	*	H	α-helix	trans	-62.9	-32.4	177.3	-71.2	170.4	0	0	0	112.8	V336 K344	V336-L340 HydrophobicContact CG1-CD1 3.92Å; V336-L340 HydrophobicContact CG1-CG 4.43Å; V336-L340 WeakPolarHBondContact O-CB 3.4Å; V336-L340 WeakPolarHBondContact O-CG 3.4Å; V336-L340 PolarHBondContact O-N 3.42Å; L340-K344 PolarHBondContact O-N 3.21Å
341	A	45.5	Very low	39.4	Very low	52 Å²	52	141 Å²	141	43%	0.43	67%	0.669	S	S	.	*	H	α-helix	trans	-68.7	-37.4	173.8	0	0	0	0	0	112.9	K337 I339	K337-A341 WeakPolarHBondContact O-CB 3.31Å; K337-A341 PolarHBondContact O-N 3.27Å; I339-A341 VanDerWaalsContact C-N 3.27Å; I339-A341 PolarHBondContact O-N 3.37Å
342	K	41.8	Very low	38.9	Very low	171 Å²	171	141.8 Å²	141.8	74%	0.743	68%	0.678	S	S	*	*	H	α-helix	trans	-66.7	-45.9	173.8	-76.2	-168.6	173.1	-167.4	0	111.7	K338 I339 K344 R345	K338-K342 PolarHBondContact O-N 2.7Å; I339-K342 PolarHBondContact O-N 3.03Å; I339-K342 VanDerWaalsContact O-N 3.15Å; K342-K344 VanDerWaalsContact C-N 3.28Å; K342-K344 PolarHBondContact O-N 3.5Å; K342-R345 PolarHBondContact O-N 3.26Å
343	L	42.6	Very low	38.6	Very low	114 Å²	114	139.7 Å²	139.7	60%	0.597	68%	0.679	S	S	*	*	H	α-helix	trans	-60.8	-33.7	179.8	-72.2	168.8	0	0	0	113.2	I339 R345 A346	I339-L343 HydrophobicContact CG2-CD1 4.11Å; I339-L343 PolarHBondContact O-N 2.86Å; L343-R345 VanDerWaalsContact C-N 3.3Å; L343-R345 PolarHBondContact O-N 3.02Å; L343-A346 PolarHBondContact O-N 3.39Å
344	K	45.6	Very low	37.9	Very low	178 Å²	178	141.4 Å²	141.4	77%	0.774	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-16.6	175.5	-78.3	-166.3	173.2	-165.3	0	115	L340 K342	L340-K344 PolarHBondContact O-N 3.21Å; K342-K344 VanDerWaalsContact C-N 3.28Å; K342-K344 PolarHBondContact O-N 3.5Å
345	R	41.3	Very low	37.1	Very low	221 Å²	221	146.1 Å²	146.1	83%	0.834	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-13.1	177.2	-69.2	-179.6	176.7	170.7	-2.3	113.5	K342 L343	K342-R345 PolarHBondContact O-N 3.26Å; L343-R345 VanDerWaalsContact C-N 3.3Å; L343-R345 PolarHBondContact O-N 3.02Å
346	A	40.7	Very low	36.1	Very low	88 Å²	88	146 Å²	146	73%	0.727	71%	0.711	S	S	*	*	S	Bend	trans	-89	-6.4	-176.7	0	0	0	0	0	114.6	L343	L343-A346 PolarHBondContact O-N 3.39Å
347	R	33.9	Very low	35.2	Very low	237 Å²	237	150.8 Å²	150.8	89%	0.894	73%	0.73	S	S	*	*	S	Bend	trans	-113.2	26.3	-174.2	-149.2	176.9	-172.6	168.6	3.1	113.8
348	S	35.3	Very low	34.3	Very low	100 Å²	100	151 Å²	151	70%	0.699	73%	0.731	S	S	*	*			trans	-135.5	66.8	-175.4	-58.2	0	0	0	0	111.7
349	K	36.4	Very low	33.4	Very low	201 Å²	201	152.1 Å²	152.1	87%	0.874	74%	0.735	S	S	*	*			trans	-158.5	120.5	164.5	-118.3	177	-178.1	-177.1	0	110.5
350	K	27.2	Very low	32.5	Very low	191 Å²	191	153 Å²	153	83%	0.83	75%	0.746	S	S	*	*	S	Bend	trans	65	141.3	-175.7	-49.5	-173.6	178.6	-171.6	0	113.8
351	F	24.3	Very low	31.6	Very low	195 Å²	195	157.5 Å²	157.5	86%	0.855	76%	0.761	S	S	*	*			cis	-110.2	178.8	-3.6	-102	-90.3	0	0	0	112.5
352	V	26.8	Very low	30.7	Very low	119 Å²	119	165 Å²	165	72%	0.721	78%	0.784	S	S	*	*			trans	-134.5	154.1	-173.1	167.4	0	0	0	0	109.3
353	N	25.5	Very low	29.8	Very low	141 Å²	141	166.6 Å²	166.6	75%	0.754	79%	0.791	S	S	*	*			trans	68.4	140.1	-174	-57.4	-18.3	0	0	0	113.8
354	F	23.8	Very low	28.9	Very low	199 Å²	199	166 Å²	166	87%	0.873	80%	0.796	S	S	*	*			cis	-110.1	166.8	19.6	-102.9	-108.4	0	0	0	115.7
355	Q	25.2	Very low	27.9	Very low	189 Å²	189	167.4 Å²	167.4	88%	0.883	80%	0.803	S	S	*	*			trans	-134.6	82.1	-176.8	-173.1	-172.6	-40.1	0	0	113.6
356	S	25.2	Very low	27.2	Very low	102 Å²	102	164.7 Å²	164.7	71%	0.713	80%	0.804	S	S	*	*			trans	-171.3	145	163.8	40.7	0	0	0	0	107.9
357	E	25.8	Very low	26.4	Very low	152 Å²	152	170.8 Å²	170.8	71%	0.71	81%	0.808	S	S	*	*			cis	-130.3	157.4	7.8	-80.1	-152.2	102.4	0	0	115.9
358	K	25.8	Very low	25.9	Very low	159 Å²	159	165.9 Å²	165.9	69%	0.691	80%	0.8	S	S	*	*			trans	-0.5	139.5	150.2	-63.2	161.7	-164.1	139.7	0	121.2
359	K	23.8	Very low	25.4	Very low	186 Å²	186	166 Å²	166	81%	0.809	80%	0.799	S	S	*	*			trans	87.3	128.9	132.9	-79.4	172.8	-179.5	-176.4	0	121.4
360	V	24.6	Very low	24.7	Very low	116 Å²	116	163.3 Å²	163.3	70%	0.703	79%	0.794	S	S	*	*			trans	64.1	95.8	143.7	-175.9	0	0	0	0	118.8
361	F	23.5	Very low	24.6	Very low	197 Å²	197	162.1 Å²	162.1	86%	0.864	80%	0.796	S	S	*	*				-170.6	79.3	111.3	-121.1	-75.9	0	0	0	112.9
362	K	25.3	Very low	24.6	Very low	208 Å²	208	160.7 Å²	160.7	90%	0.904	80%	0.796	S	S	*	*			trans	-160.9	73.9	167.8	-135.1	165.9	-169.6	166.8	0	116.1
363	K	24	Very low	24.4	Very low	206 Å²	206	160.3 Å²	160.3	90%	0.896	80%	0.799	S	S	*	*			trans	-152	160.2	158.5	-109.3	175.7	-178	-179.3	0	108.9
364	S	22.7	Very low	24.2	Very low	102 Å²	102	157.2 Å²	157.2	71%	0.713	80%	0.8	S	S	*	*			trans	60	99.3	-168.2	-162.4	0	0	0	0	115.3
365	F	24.5	Very low	24.2	Very low	206 Å²	206	155.5 Å²	155.5	90%	0.904	80%	0.795	S	S	*	*				-166.1	66	124.8	-117.6	-69.7	0	0	0	110.6
366	L	27	Very low	24.2	Very low	164 Å²	164	154.5 Å²	154.5	86%	0.859	79%	0.79	S	S	*	*	S	Bend	trans	-170.1	145.9	159.8	-110.7	173.5	0	0	0	109.1
367	R	23.8	Very low	24	Very low	217 Å²	217	154.5 Å²	154.5	82%	0.819	79%	0.79	S	S	*	*			trans	69.7	137.9	-166	-58.5	-162.6	164.2	-167.7	-6.3	114
368	N	22.8	Very low	23.8	Very low	134 Å²	134	152.1 Å²	152.1	72%	0.717	79%	0.79	S	S	*	*			cis	-147.6	160.8	-8.3	-116.2	15.3	0	0	0	110.3
369	C	26.1	Very low	23.6	Very low	102 Å²	102	152.5 Å²	152.5	69%	0.689	79%	0.794	S	S	*	*			trans	-85.7	150.4	153.7	-59.2	0	0	0	0	108.1
370	D	21.8	Very low	23.6	Very low	144 Å²	144	151.6 Å²	151.6	77%	0.77	79%	0.793	S	S	*	*				163.8	128.4	117.8	-78.3	-16.9	0	0	0	111.6
371	L	24.6	Very low	23.4	Very low	167 Å²	167	151 Å²	151	87%	0.874	79%	0.79	S	S	*	*			trans	66.4	163.6	164.6	-52	165.6	0	0	0	115
372	I	24.4	Very low	23.5	Very low	164 Å²	164	148.2 Å²	148.2	84%	0.841	78%	0.779	S	S	*	*			cis	-127.9	172.6	13.6	-69.9	170.6	0	0	0	110.5
373	S	21.6	Very low	23.5	Very low	112 Å²	112	148.3 Å²	148.3	78%	0.783	77%	0.774	S	S	*	*			trans	-102.3	156.9	-178.9	-53.8	0	0	0	0	114.7
374	G	21.3	Very low	23.4	Very low	76 Å²	76	145 Å²	145	78%	0.784	77%	0.771	S	S	*	*			trans	82.5	161.1	165.8	0	0	0	0	0	115.7
375	E	24.4	Very low	23.3	Very low	163 Å²	163	149.2 Å²	149.2	76%	0.762	78%	0.777	S	S	*	*			cis	-163.8	165.9	-17	-151.4	-175.1	-118.4	0	0	109.1
376	Q	24.9	Very low	23.4	Very low	167 Å²	167	145.7 Å²	145.7	78%	0.78	77%	0.772	S	S	*	*			trans	67.3	154.1	166.9	-61.6	171.9	35.9	0	0	116.1
377	S	21.3	Very low	23.1	Very low	102 Å²	102	140.6 Å²	140.6	71%	0.713	76%	0.759	S	S	*	*			cis	-155.6	-176.2	-16.7	49.9	0	0	0	0	111
378	S	21.8	Very low	23.3	Very low	103 Å²	103	136.5 Å²	136.5	72%	0.72	76%	0.764	S	S	*	*			trans	-12.7	153.8	162.5	54.7	0	0	0	0	120.1
379	E	22.4	Very low	23.4	Very low	166 Å²	166	138.8 Å²	138.8	78%	0.776	78%	0.775	S	S	*	*			cis	-143.7	156.9	34.3	-75.6	-175.7	125.4	0	0	112.4
380	Q	22.5	Very low	23.3	Very low	168 Å²	168	137.1 Å²	137.1	79%	0.785	78%	0.775	S	S	*	*				47.4	126.9	92.9	-125.1	167.9	-74.5	0	0	113.9
381	T	21.5	Very low	23.5	Very low	104 Å²	104	140.2 Å²	140.2	64%	0.638	78%	0.782	S	S	*	*				-169.3	133.7	55.7	-69.3	0	0	0	0	113.8
382	Q	25.6	Very low	23.6	Very low	137 Å²	137	140.9 Å²	140.9	64%	0.64	78%	0.78	S	S	*	*			trans	33.4	158.7	147.5	-57.3	177.9	3.5	0	0	125.6
383	R	23.9	Very low	23.6	Very low	210 Å²	210	136.7 Å²	136.7	79%	0.792	78%	0.777	S	S	*	*			trans	77.3	159.4	158.1	-72.6	151	173.7	148	-4.5	115.8
384	T	22.5	Very low	23.9	Very low	136 Å²	136	136.7 Å²	136.7	83%	0.834	77%	0.772	S	S	*	*			cis	-116.3	-130.7	3.9	-40.2	0	0	0	0	112.2
385	F	21.6	Very low	24	Very low	192 Å²	192	144.1 Å²	144.1	84%	0.842	78%	0.778	S	S	*	*			trans	-160.7	-174.3	-173.5	-159.7	-103.1	0	0	0	110.7
386	V	25.2	Very low	24.1	Very low	132 Å²	132	146 Å²	146	80%	0.8	78%	0.784	S	S	*	*			trans	87.3	131	179.1	-172.6	0	0	0	0	114.6
387	G	22.1	Very low	24.2	Very low	56 Å²	56	144.2 Å²	144.2	58%	0.577	79%	0.785	S	S	*	*			cis	134.8	108.8	-10.6	0	0	0	0	0	113.9
388	S	26.3	Very low	24.3	Very low	132 Å²	132	146.8 Å²	146.8	92%	0.923	79%	0.789	S	S	*	*			trans	-159.7	147.6	168.6	-83.3	0	0	0	0	111.1
389	L	25.5	Very low	24.4	Very low	182 Å²	182	145.2 Å²	145.2	95%	0.953	79%	0.789	S	S	*	*			trans	-125.4	151.4	-160.3	-136.6	84.3	0	0	0	112.3
390	G	24.4	Very low	24.5	Very low	66 Å²	66	145.3 Å²	145.3	68%	0.68	79%	0.794	S	S	*	*			trans	109.1	158	155.4	0	0	0	0	0	116.8
391	K	26.4	Very low	24.9	Very low	210 Å²	210	148.3 Å²	148.3	91%	0.913	80%	0.799	S	S	*	*			cis	-144.1	168.1	-7.9	-101.9	176.2	-173.5	176.3	0	109.9
392	H	25.8	Very low	25.1	Very low	181 Å²	181	153.6 Å²	153.6	84%	0.838	81%	0.813	S	S	*	*			trans	-77.7	156.3	-172.6	-67.4	-108.3	0	0	0	113.9
393	G	24	Very low	25.4	Very low	75 Å²	75	156.4 Å²	156.4	77%	0.773	82%	0.823	S	S	*	*			trans	-147.2	90.1	165	0	0	0	0	0	110.5
394	T	27.8	Very low	25.5	Very low	113 Å²	113	156.4 Å²	156.4	69%	0.693	83%	0.829	S	S	*	*			trans	-132.2	133.4	-175	53.6	0	0	0	0	112.3
395	Y	24.3	Very low	25.6	Very low	232 Å²	232	155.8 Å²	155.8	91%	0.91	83%	0.825	S	S	*	*			trans	-136.8	149.9	154.8	-2.1	-83.6	0	0	0	110.8
396	K	27.2	Very low	25.6	Very low	202 Å²	202	154.1 Å²	154.1	88%	0.878	82%	0.824	S	S	*	*			trans	-116.9	150.8	175.8	-53.5	164.6	-177.8	166.6	0	108.3
397	T	25.3	Very low	25.4	Very low	130 Å²	130	153.3 Å²	153.3	80%	0.798	82%	0.82	S	S	*	*			trans	-165.7	158.7	142.9	40.4	0	0	0	0	108.5
398	I	24.4	Very low	25.6	Very low	156 Å²	156	157.6 Å²	157.6	80%	0.8	83%	0.828	S	S	*	*			cis	-143.1	146.4	-35	-113.3	164.5	0	0	0	105
399	G	23.9	Very low	25.4	Very low	70 Å²	70	157.3 Å²	157.3	72%	0.722	82%	0.823	S	S	*	*			trans	-96.8	155.8	177.6	0	0	0	0	0	112.3
400	N	25	Very low	25.2	Very low	167 Å²	167	156.5 Å²	156.5	89%	0.893	81%	0.812	S	S	*	*			trans	-143.3	151	157.4	-139.4	-29.3	0	0	0	112.6
401	R	30.6	Very low	25.2	Very low	231 Å²	231	157.6 Å²	157.6	87%	0.872	81%	0.81	S	S	*	*			trans	-105.3	150.6	-170.3	-64.5	171.8	171.8	171.6	-3.2	111.1
402	K	25.4	Very low	25.1	Very low	215 Å²	215	159.1 Å²	159.1	94%	0.935	81%	0.81	S	S	*	*			trans	-159.8	125.8	136.7	-107.5	149.6	-172.2	176.3	0	111
403	K	31.2	Very low	25	Very low	197 Å²	197	158.1 Å²	158.1	86%	0.857	81%	0.805	S	S	*	*			trans	-88.4	146.8	166.6	-59.7	176	179.7	178.6	0	108.2
404	K	27	Very low	25	Very low	209 Å²	209	159.3 Å²	159.3	91%	0.909	80%	0.802	S	S	*	*			trans	-142.9	125.2	143.7	-79.5	-157.9	174.7	-172.9	0	109.9
405	T	23.4	Very low	24.7	Very low	124 Å²	124	162.5 Å²	162.5	76%	0.761	81%	0.811	S	S	*	*			trans	-101.3	141.1	164.9	-49.6	0	0	0	0	107.3
406	L	21.8	Very low	24.6	Very low	157 Å²	157	154.4 Å²	154.4	82%	0.822	80%	0.799	S	S	*	*			trans	-162.3	107.5	160.1	-95.3	161	0	0	0	104.1
407	T	22.4	Very low	24.6	Very low	115 Å²	115	155 Å²	155	71%	0.706	80%	0.801	S	S	*	*				75.9	124.9	64.8	-49.7	0	0	0	0	112.3
408	L	25.8	Very low	24.6	Very low	146 Å²	146	156 Å²	156	76%	0.764	80%	0.802	S	S	*	*			trans	-68.6	156	171.8	-99.2	78.2	0	0	0	111.5
409	P	22.8	Very low	24.7	Very low	125 Å²	125	155.9 Å²	155.9	81%	0.812	80%	0.802	S	S	*	*			trans	-95.2	158	134	-19.8	35.1	0	0	0	112.8
410	F	21.2	Very low	24.7	Very low	166 Å²	166	161.2 Å²	161.2	73%	0.728	81%	0.805	S	S	*	*			trans	-132.6	-179.9	177.5	-175.6	-95.7	0	0	0	108.8
411	S	24.6	Very low	24.6	Very low	89 Å²	89	156.4 Å²	156.4	62%	0.622	80%	0.795	S	S	*	*			trans	92.7	143	-173.5	79.2	0	0	0	0	113.5
412	W	24.4	Very low	24.3	Very low	242 Å²	242	152.5 Å²	152.5	92%	0.917	79%	0.79	S	S	*	*			cis	-109.3	162.5	12.5	-85	46.1	0	0	0	115.5
413	Q	23.8	Very low	24.2	Very low	159 Å²	159	149.5 Å²	149.5	74%	0.743	78%	0.783	S	S	*	*			trans	-90.3	-174.9	160.8	-59.4	165.6	-31.8	0	0	107.9
414	S	22.3	Very low	23.8	Very low	101 Å²	101	145.6 Å²	145.6	71%	0.706	78%	0.776	S	S	*	*			cis	-160.3	-171.1	12.2	-163.7	0	0	0	0	109.5
415	M	22.6	Very low	23.7	Very low	179 Å²	179	140.7 Å²	140.7	88%	0.882	76%	0.764	S	S	*	*			trans	67	132	177.1	-52.1	-66.6	-167.4	0	0	115.7
416	G	21.3	Very low	23.8	Very low	63 Å²	63	141.5 Å²	141.5	65%	0.649	76%	0.759	S	S	*	*			cis	115.8	105.2	-14	0	0	0	0	0	115.3
417	K	28.4	Very low	24	Very low	215 Å²	215	139.7 Å²	139.7	94%	0.935	75%	0.75	S	S	*	*			trans	-172.6	151.3	148.6	-103.3	152.1	-171.5	178.2	0	111.6
418	N	24	Very low	24.3	Very low	150 Å²	150	141.2 Å²	141.2	80%	0.802	75%	0.752	S	S	*	*			trans	-79.9	161.3	168.8	-78.7	-72.3	0	0	0	110.4
419	L	26.1	Very low	24.4	Very low	153 Å²	153	141.6 Å²	141.6	80%	0.801	76%	0.755	S	S	*	*				-173.4	169.1	110.4	-99.8	165.2	0	0	0	114.8
420	K	24	Very low	24.5	Very low	182 Å²	182	141.6 Å²	141.6	79%	0.791	76%	0.757	S	S	*	*			trans	-54	158.1	172.4	-58	160.5	-176.1	177.3	0	110.4
421	G	23.1	Very low	25	Very low	66 Å²	66	139.9 Å²	139.9	68%	0.68	75%	0.754	S	S	*	*			cis	89.3	163.7	37.3	0	0	0	0	0	110.3
422	I	24.6	Very low	24.8	Very low	150 Å²	150	143.3 Å²	143.3	77%	0.769	77%	0.766	S	S	*	*			trans	89.2	108.9	-167.8	-59.1	170.7	0	0	0	111.1
423	L	23	Very low	24.9	Very low	151 Å²	151	138.1 Å²	138.1	79%	0.791	76%	0.756	S	S	*	*				65.1	149.2	104.4	-52.2	-177	0	0	0	114.3
424	T	23.8	Very low	24.9	Very low	116 Å²	116	136.5 Å²	136.5	71%	0.712	76%	0.762	S	S	*	*			cis	-146.4	-169.6	11.6	-21.8	0	0	0	0	111.7
425	T	24.8	Very low	25.1	Very low	106 Å²	106	137.3 Å²	137.3	65%	0.65	76%	0.762	S	S	*	*			trans	-47.7	171.6	161.7	57.1	0	0	0	0	113.7
426	E	25.1	Very low	25.2	Very low	141 Å²	141	136.7 Å²	136.7	66%	0.659	76%	0.763	S	S	*	*			cis	-169.9	178.8	25.8	-144.6	156.6	-93.9	0	0	112.8
427	N	27.1	Very low	25.4	Very low	118 Å²	118	142 Å²	142	63%	0.631	77%	0.768	S	S	*	*			trans	65.2	153	149.4	-67.7	-31.7	0	0	0	120.1
428	I	27.1	Very low	25.2	Very low	147 Å²	147	141.7 Å²	141.7	75%	0.754	77%	0.767	S	S	*	*			cis	-149.3	172	-38.4	-132.3	172.4	0	0	0	108.1
429	L	28.5	Very low	25.2	Very low	155 Å²	155	141.2 Å²	141.2	81%	0.812	76%	0.764	S	S	*	*			trans	-60.4	144	174.3	-68.2	163.1	0	0	0	112.2
430	S	24.1	Very low	25.1	Very low	124 Å²	124	142.1 Å²	142.1	87%	0.867	77%	0.769	S	S	*	*			trans	-144.5	146.5	139.8	-142.1	0	0	0	0	110.8
431	I	32.3	Very low	25	Very low	130 Å²	130	138 Å²	138	67%	0.667	76%	0.763	S	S	*	*			trans	-106.3	144.4	-177.1	-68	163.5	0	0	0	106.9
432	D	21.5	Very low	25.1	Very low	161 Å²	161	142.1 Å²	142.1	86%	0.861	77%	0.768	S	S	*	*			trans	-149.2	149.5	138.4	-125.7	-31.2	0	0	0	114.1
433	N	25.7	Very low	25.1	Very low	134 Å²	134	140.9 Å²	140.9	72%	0.717	77%	0.771	S	S	*	*			trans	-111.1	140.2	172.5	-71.3	-81.9	0	0	0	108.9
434	S	23.6	Very low	25.1	Very low	124 Å²	124	137.1 Å²	137.1	87%	0.867	77%	0.769	S	S	*	*			trans	-133.2	138.4	150.5	74.9	0	0	0	0	110.8
435	V	26.6	Very low	25.3	Very low	118 Å²	118	137.6 Å²	137.6	72%	0.715	78%	0.777	S	S	*	*			trans	-104.9	134.9	-179.5	171.4	0	0	0	0	107.8
436	N	24.4	Very low	25.5	Very low	167 Å²	167	136.4 Å²	136.4	89%	0.893	77%	0.773	S	S	*	*			trans	-148.1	142.7	147.8	-108.6	-46.9	0	0	0	112.4
437	K	25	Very low	25.8	Very low	175 Å²	175	133.8 Å²	133.8	76%	0.761	78%	0.783	S	S	*	*			trans	-100.4	153.1	179.1	-60	173.6	-178.4	172.5	0	109.9
438	K	24.9	Very low	26.2	Very low	208 Å²	208	134.4 Å²	134.4	90%	0.904	78%	0.783	S	S	*	*			trans	-161.5	151.5	130.1	-110.6	164.3	-175.2	177.9	0	111.2
439	D	24.1	Very low	26.4	Very low	139 Å²	139	133.3 Å²	133.3	74%	0.743	77%	0.774	S	S	*	*			trans	-92.4	146.2	-166.8	-49.1	-100.6	0	0	0	112.6
440	L	24	Very low	26.5	Very low	173 Å²	173	135 Å²	135	91%	0.906	78%	0.775	S	S	*	*				-160.5	-175.2	119.4	-134.2	60.4	0	0	0	111.4
441	S	22.7	Very low	26.9	Very low	96 Å²	96	136.3 Å²	136.3	67%	0.671	77%	0.766	S	S	*	*			trans	-141.5	-176.3	-141.1	58.9	0	0	0	0	116
442	I	25.5	Very low	27	Very low	152 Å²	152	136.1 Å²	136.1	78%	0.779	77%	0.766	S	S	*	*			trans	86.5	85.6	168.5	-48	-179.5	0	0	0	117.7
443	C	23.3	Very low	27.7	Very low	124 Å²	124	135.5 Å²	135.5	84%	0.838	76%	0.763	S	S	*	*				47.6	119.9	121.2	-158.5	0	0	0	0	121.4
444	G	23.2	Very low	28.1	Very low	72 Å²	72	132.9 Å²	132.9	74%	0.742	75%	0.754	S	S	*	*			trans	-166.2	64.7	173.8	0	0	0	0	0	117.8
445	S	27.5	Very low	28.3	Very low	126 Å²	126	135.8 Å²	135.8	88%	0.881	75%	0.754	S	S	*	*			trans	48.9	100.1	156.7	-65.1	0	0	0	0	121.4
446	S	29.4	Very low	28.8	Very low	81 Å²	81	136.7 Å²	136.7	57%	0.566	76%	0.76	S	S	*	*				-158.3	132.4	120	104.2	0	0	0	0	113.3	E448	S446-E448 PolarHBondContact O-N 3.26Å
447	G	32.2	Very low	29.4	Very low	85 Å²	85	133.9 Å²	133.9	88%	0.876	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	20.4	-172.2	0	0	0	0	0	116.4
448	E	35.7	Very low	29.8	Very low	131 Å²	131	134.7 Å²	134.7	61%	0.612	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114	-10.9	-173.3	-69.4	-159.1	150.5	0	0	115.7	K195 S446	K195-E448 IonicContact NZ-OE2 2.94Å; K195-E448 PolarHBondContact NZ-OE2 3.45Å; S446-E448 PolarHBondContact O-N 3.26Å
449	E	29.9	Very low	30.1	Very low	125 Å²	125	129.7 Å²	129.7	58%	0.584	74%	0.74	S	S	*	*	S	Bend	trans	-92.4	-26.3	-167.4	-54.5	-157.2	134	0	0	114.5	F451 N452	E449-F451 PolarHBondContact O-N 3.44Å; E449-N452 PolarHBondContact O-N 3.44Å
450	F	31.6	Very low	30.4	Very low	189 Å²	189	126.8 Å²	126.8	83%	0.829	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	-2.5	-178.3	-96.8	-79.4	0	0	0	117.1
451	F	32.5	Very low	30.9	Very low	153 Å²	153	125.5 Å²	125.5	67%	0.671	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	-2.2	175.4	-75.9	-67.3	0	0	0	114.6	E449	E449-F451 PolarHBondContact O-N 3.44Å
452	N	33	Very low	31.5	Very low	126 Å²	126	124.5 Å²	124.5	67%	0.674	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-28.8	-174.3	-63	-55.8	0	0	0	114.4	E449	E449-N452 PolarHBondContact O-N 3.44Å
453	N	37.1	Very low	32	Very low	148 Å²	148	123.6 Å²	123.6	79%	0.791	73%	0.725	S	S	*	*			trans	-107.7	117.4	176.8	-67.1	4	0	0	0	109.9
454	C	33.5	Very low	32.8	Very low	79 Å²	79	121.3 Å²	121.3	53%	0.534	71%	0.709	S	S	.	*			trans	-155	73	174.7	-82.7	0	0	0	0	109.5	V456	C454-V456 VanDerWaalsContact C-N 3.26Å
455	E	28.3	Very low	33.4	Very low	185 Å²	185	129.7 Å²	129.7	86%	0.864	72%	0.718	S	S	*	*			trans	-77.3	-17.8	168.5	-69.3	175.1	137.3	0	0	111.4	L457	E455-L457 PolarHBondContact O-N 3.03Å
456	V	37.1	Very low	33.8	Very low	137 Å²	137	130.5 Å²	130.5	83%	0.83	71%	0.708	S	S	*	*	S	Bend	trans	-98.6	60.7	-179.8	-164.2	0	0	0	0	112.3	C454	C454-V456 VanDerWaalsContact C-N 3.26Å
457	L	36.9	Very low	34.1	Very low	108 Å²	108	132.6 Å²	132.6	57%	0.565	71%	0.713	S	S	*	*			trans	-148.6	53.4	159.1	-83.8	-170.4	0	0	0	110.6	E455 C459	E455-L457 PolarHBondContact O-N 3.03Å; L457-C459 PolarHBondContact O-N 2.89Å
458	Q	33.5	Very low	34.7	Very low	192 Å²	192	136.8 Å²	136.8	90%	0.897	71%	0.713	S	S	*	*			trans	-82.8	56.8	179.8	-162.4	166.9	-4	0	0	112.2
459	C	30.8	Very low	35.1	Very low	102 Å²	102	141.4 Å²	141.4	69%	0.689	73%	0.725	S	S	*	*	S	Bend	trans	-111.1	136.5	166.6	-64.9	0	0	0	0	109	L457 F461	L457-C459 PolarHBondContact O-N 2.89Å; C459-F461 PolarHBondContact O-N 3.17Å; C459-F461 VanDerWaalsContact O-N 3.11Å
460	G	30.7	Very low	35.6	Very low	79 Å²	79	139.6 Å²	139.6	81%	0.814	72%	0.723	S	S	*	*			trans	-59.3	111	-166.5	0	0	0	0	0	114.8	S462	G460-S462 PolarHBondContact O-N 3.32Å
461	F	34.1	Very low	36	Very low	145 Å²	145	143 Å²	143	64%	0.636	73%	0.73	S	S	*	*			trans	-70.8	107.7	167.4	-67.6	-77.8	0	0	0	109.7	C459	C459-F461 PolarHBondContact O-N 3.17Å; C459-F461 VanDerWaalsContact O-N 3.11Å
462	S	35.4	Very low	36.6	Very low	76 Å²	76	141 Å²	141	53%	0.531	72%	0.722	S	S	.	*			trans	-59.2	139.8	174.5	60.1	0	0	0	0	111.3	G460 P464	G460-S462 PolarHBondContact O-N 3.32Å; S462-P464 WeakPolarHBondContact O-CD 3.17Å
463	V	37	Very low	37.6	Very low	133 Å²	133	140.9 Å²	140.9	81%	0.806	72%	0.716	S	S	*	*			trans	-64.4	126.2	-171.6	179.6	0	0	0	0	110.4	R465	V463-R465 PolarHBondContact O-N 3.28Å
464	P	38.4	Very low	39.1	Very low	75 Å²	75	138 Å²	138	49%	0.487	70%	0.7	S	S	.	*			trans	-64.8	107.3	-177	-23	33.5	0	0	0	112.7	S462 E466	S462-P464 WeakPolarHBondContact O-CD 3.17Å; P464-E466 PolarHBondContact O-N 3.25Å
465	R	36.2	Very low	41.1	Very low	249 Å²	249	135 Å²	135	94%	0.94	68%	0.68	S	S	*	*			trans	-57.3	120.2	171.4	-79.6	-171	170.8	-161	-2.4	110.2	V463 N467	V463-R465 PolarHBondContact O-N 3.28Å; R465-N467 PolarHBondContact O-N 3.28Å
466	E	36.8	Very low	43.1	Very low	143 Å²	143	129.2 Å²	129.2	67%	0.668	66%	0.658	S	S	*	*			trans	-78.5	114.9	170.9	-61.7	-155.6	153.8	0	0	109.8	P464 K473	P464-E466 PolarHBondContact O-N 3.25Å; E466-K473 VanDerWaalsContact OE1-CE 3.24Å; E466-K473 WeakPolarHBondContact OE1-CE 3.34Å; E466-K473 IonicContact OE1-NZ 2.58Å; E466-K473 PolarHBondContact OE1-NZ 3.11Å
467	N	34.9	Very low	45.1	Very low	125 Å²	125	123.2 Å²	123.2	67%	0.668	62%	0.622	S	S	*	*			trans	-87.6	113.3	177.1	-168	-25.5	0	0	0	109.9	R465 R469 T470	R465-N467 PolarHBondContact O-N 3.28Å; N467-R469 PolarHBondContact O-N 3.18Å; N467-T470 PolarHBondContact O-N 3.1Å
468	I	44.5	Very low	47	Very low	172 Å²	172	122.6 Å²	122.6	88%	0.882	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60	-20.3	-162.8	-66.2	172.8	0	0	0	113.7
469	R	44.9	Very low	48.6	Very low	228 Å²	228	120.3 Å²	120.3	86%	0.86	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-15.3	-174.9	-138.2	166.4	-174.2	160.8	0.4	115.9	N467	N467-R469 PolarHBondContact O-N 3.18Å
470	T	40.6	Very low	50.6	Low	88 Å²	88	117.4 Å²	117.4	54%	0.54	59%	0.586	S	S	.	*	S	Bend	trans	-147.4	138.6	165.7	64.6	0	0	0	0	112.9	N467 H472	N467-T470 PolarHBondContact O-N 3.1Å; T470-H472 PolarHBondContact O-N 3.43Å
471	R	38.9	Very low	52.5	Low	259 Å²	259	122.9 Å²	122.9	98%	0.977	59%	0.591	S	S	*	*			trans	-79.3	47.4	-177.1	-68.4	-173.3	172.8	-172	-2.4	114.5
472	H	46.3	Very low	54.2	Low	111 Å²	111	122 Å²	122	51%	0.514	59%	0.587	S	S	.	*			trans	-115	119.2	173.5	-69.9	106.2	0	0	0	110.5	Q307 T470 I474	Q307-H472 PolarHBondContact NE2-NE2 3.44Å; T470-H472 PolarHBondContact O-N 3.43Å; H472-I474 PolarHBondContact O-N 3.35Å; H472-I474 VanDerWaalsContact O-N 3.16Å
473	K	53.7	Low	56	Low	125 Å²	125	122.8 Å²	122.8	54%	0.543	59%	0.588	S	S	.	*			trans	-74.7	104.6	173.2	-73.2	-177	-179.8	-83.2	0	109.1	E466	E466-K473 VanDerWaalsContact OE1-CE 3.24Å; E466-K473 WeakPolarHBondContact OE1-CE 3.34Å; E466-K473 IonicContact OE1-NZ 2.58Å; E466-K473 PolarHBondContact OE1-NZ 3.11Å
474	I	68.4	Low	58	Low	86 Å²	86	118.3 Å²	118.3	44%	0.441	56%	0.558	S	S	.	*			trans	-86	143.4	177.7	-69.9	173.5	0	0	0	108.9	H472 V483	H472-I474 PolarHBondContact O-N 3.35Å; H472-I474 VanDerWaalsContact O-N 3.16Å; I474-V483 HydrophobicContact CG2-CG1 3.1Å
475	C	74.8	Confident	59.5	Low	17 Å²	17	117.6 Å²	117.6	12%	0.115	55%	0.554	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.9	102.8	-175.3	-49.9	0	0	0	0	109.1	F484 I487 L490	C475-F484 PolarHBondContact N-O 3.31Å; C475-F484 PolarHBondContact O-N 3.27Å; C475-I487 VanDerWaalsContact SG-CG1 3.53Å; C475-L490 HydrophobicContact CB-CB 4.31Å; C475-L490 HydrophobicContact CB-CD2 3.79Å
476	P	71.9	Confident	61.5	Low	64 Å²	64	107.7 Å²	107.7	42%	0.416	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	166.5	172.8	32	-35.2	0	0	0	111	L490	P476-L490 WeakPolarHBondContact O-CD1 3.17Å; P476-L490 WeakPolarHBondContact O-CD2 3.25Å
477	C	78.3	Confident	63.2	Low	10 Å²	10	106 Å²	106	7%	0.068	52%	0.517	C	S	.	.			trans	-103.5	136.2	165.6	-178.6	0	0	0	0	108.8	K479 C480 K482 F484 L490 H493 Y494	C477-K479 VanDerWaalsContact C-N 3.31Å; C477-C480 CarbonylContact C-O 3.31Å; C477-C480 VanDerWaalsContact CB-O 3.31Å; C477-C480 WeakPolarHBondContact CB-O 3.4Å; C477-K482 WeakPolarHBondContact CB-O 3.36Å; C477-K482 PolarHBondContact N-O 3.49Å; C477-F484 HydrophobicContact CB-CE2 4.27Å; C477-L490 HydrophobicContact CB-CD1 3.65Å; C477-H493 VanDerWaalsContact SG-CD2 3.59Å; C477-H493 PolarHBondContact SG-NE2 3.4Å; C477-H493 VanDerWaalsContact SG-NE2 3.41Å; C477-Y494 WeakPolarHBondContact SG-CE1 3.39Å
478	D	76.3	Confident	65	Low	95 Å²	95	104.6 Å²	104.6	51%	0.508	52%	0.517	S	S	.	.	S	Bend	trans	-85.2	-11.1	-176.7	-43.9	-81.3	0	0	0	111.1	Y494	D478-Y494 WeakPolarHBondContact CB-OH 3.2Å; D478-Y494 PolarHBondContact N-OH 3.22Å; D478-Y494 PolarHBondContact OD2-OH 3.48Å
479	K	67.3	Low	66.4	Low	145 Å²	145	100.5 Å²	100.5	63%	0.63	49%	0.492	S	S	*	.	S	Bend	trans	-106.9	-2.3	177	-64.8	-166.2	175.7	-165.2	0	114.7	C477 Y494 H497	C477-K479 VanDerWaalsContact C-N 3.31Å; K479-Y494 HydrophobicContact CB-CE1 4.32Å; K479-Y494 HydrophobicContact CD-CE1 4.45Å; K479-Y494 HydrophobicContact CG-CE1 4.19Å; K479-H497 HydrophobicContact CD-CB 4.17Å; K479-H497 PolarHBondContact O-CE1 3.48Å
480	C	72.9	Confident	67.8	Low	40 Å²	40	90.3 Å²	90.3	27%	0.27	46%	0.455	S	S	.	.	S	Bend	trans	-167.6	157.7	161.8	65.8	0	0	0	0	110.3	C477 K482 H493 H497	C477-C480 CarbonylContact C-O 3.31Å; C477-C480 VanDerWaalsContact CB-O 3.31Å; C477-C480 WeakPolarHBondContact CB-O 3.4Å; C480-K482 PolarHBondContact O-N 2.97Å; C480-H493 PolarHBondContact SG-NE2 3.41Å; C480-H497 PolarHBondContact SG-NE2 3.48Å; C480-H497 VanDerWaalsContact SG-NE2 3.36Å
481	E	71.3	Confident	69.4	Low	194 Å²	194	90.5 Å²	90.5	91%	0.907	45%	0.448	S	S	*	.	S	Bend	trans	-64.7	17.4	-175.5	-52.7	-179.7	152.8	0	0	116.1
482	K	70	Confident	71.2	Confident	128 Å²	128	83.9 Å²	83.9	56%	0.557	42%	0.424	S	S	*	.			trans	-82.3	126.3	-178.6	-70.1	177.7	-178.7	165.7	0	111	C477 C480 F484	C477-K482 WeakPolarHBondContact CB-O 3.36Å; C477-K482 PolarHBondContact N-O 3.49Å; C480-K482 PolarHBondContact O-N 2.97Å; K482-F484 HydrophobicContact CB-CE2 3.65Å; K482-F484 HydrophobicContact CB-CZ 3.79Å; K482-F484 WeakPolarHBondContact O-CD2 3.43Å; K482-F484 VanDerWaalsContact O-CE2 3.25Å; K482-F484 WeakPolarHBondContact O-CE2 3.28Å
483	V	73.6	Confident	72.6	Confident	92 Å²	92	79.3 Å²	79.3	56%	0.558	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.3	-170.1	177.3	0	0	0	0	109.9	I474	I474-V483 HydrophobicContact CG2-CG1 3.1Å
484	F	77.6	Confident	73.5	Confident	38 Å²	38	75.6 Å²	75.6	17%	0.167	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.2	-172.2	-62.7	-84.8	0	0	0	112.8	C475 C477 K482 S486 K489 L490 H493	C475-F484 PolarHBondContact N-O 3.31Å; C475-F484 PolarHBondContact O-N 3.27Å; C477-F484 HydrophobicContact CB-CE2 4.27Å; K482-F484 HydrophobicContact CB-CE2 3.65Å; K482-F484 HydrophobicContact CB-CZ 3.79Å; K482-F484 WeakPolarHBondContact O-CD2 3.43Å; K482-F484 VanDerWaalsContact O-CE2 3.25Å; K482-F484 WeakPolarHBondContact O-CE2 3.28Å; F484-S486 PolarHBondContact O-N 3.23Å; F484-S486 VanDerWaalsContact O-N 3.17Å; F484-K489 HydrophobicContact CB-CB 4.13Å; F484-K489 HydrophobicContact CD1-CB 4Å; F484-K489 HydrophobicContact CG-CB 4.4Å; F484-L490 HydrophobicContact CB-CB 4.26Å; F484-L490 HydrophobicContact CD2-CB 4.26Å; F484-L490 HydrophobicContact CD2-CD1 3.8Å; F484-L490 HydrophobicContact CE2-CD1 4.18Å; F484-L490 HydrophobicContact CG-CB 4.39Å; F484-H493 HydrophobicContact CE1-CB 3.92Å; F484-H493 HydrophobicContact CE2-CB 3.94Å; F484-H493 AromaticContact CE2-CD2 3.19Å; F484-H493 WeakPolarHBondContact CE2-CD2 3.47Å; F484-H493 AromaticContact CE2-CG 3.55Å; F484-H493 AromaticContact CE2-NE2 3.82Å; F484-H493 HydrophobicContact CZ-CB 3.51Å; F484-H493 AromaticContact CZ-CD2 3.38Å; F484-H493 WeakPolarHBondContact CZ-CD2 3.38Å; F484-H493 AromaticContact CZ-CG 3.22Å; F484-H493 AromaticContact CZ-ND1 3.75Å; F484-H493 AromaticContact CZ-NE2 3.94Å
485	P	69.5	Low	74	Confident	61 Å²	61	72.7 Å²	72.7	40%	0.396	37%	0.371	S	S	.	.	S	Bend	trans	-80.1	12.1	178.5	32.5	-36.3	0	0	0	114.1	K489	P485-K489 HydrophobicContact CG-CD 3.87Å
486	S	78.4	Confident	73.9	Confident	41 Å²	41	76.3 Å²	76.3	29%	0.287	39%	0.388	S	S	.	.	S	Bend	trans	-163.5	150.6	166.4	71.1	0	0	0	0	113.6	F484 S488 K489 L490	F484-S486 PolarHBondContact O-N 3.23Å; F484-S486 VanDerWaalsContact O-N 3.17Å; S486-S488 PolarHBondContact O-N 3.2Å; S486-K489 WeakPolarHBondContact O-CB 3.23Å; S486-K489 PolarHBondContact O-N 3.34Å; S486-K489 PolarHBondContact OG-N 2.94Å; S486-L490 PolarHBondContact O-N 3.22Å
487	I	72.6	Confident	73.9	Confident	107 Å²	107	76.6 Å²	76.6	55%	0.549	38%	0.383	S	S	.	.	H	α-helix	trans	-56	-37.5	175.8	-57.4	174.6	0	0	0	111.4	C475 K489 L490 K491	C475-I487 VanDerWaalsContact SG-CG1 3.53Å; I487-K489 PolarHBondContact O-N 3.34Å; I487-L490 PolarHBondContact O-N 3.23Å; I487-K491 HydrophobicContact CG2-CG 4.33Å; I487-K491 PolarHBondContact O-N 2.79Å
488	S	73.2	Confident	73.5	Confident	96 Å²	96	79.4 Å²	79.4	67%	0.671	40%	0.4	S	S	*	.	H	α-helix	trans	-67.2	-34	177.6	-44.3	0	0	0	0	113	S486 R492	S486-S488 PolarHBondContact O-N 3.2Å; S488-R492 WeakPolarHBondContact O-CB 3.39Å; S488-R492 PolarHBondContact O-N 3.16Å
489	K	75	Confident	73.2	Confident	85 Å²	85	76.7 Å²	76.7	37%	0.37	39%	0.394	S	S	.	.	H	α-helix	trans	-68.6	-41.1	171.8	-76.7	178.8	175.2	-173.7	0	110.5	F484 P485 S486 I487 R492 H493	F484-K489 HydrophobicContact CB-CB 4.13Å; F484-K489 HydrophobicContact CD1-CB 4Å; F484-K489 HydrophobicContact CG-CB 4.4Å; P485-K489 HydrophobicContact CG-CD 3.87Å; S486-K489 WeakPolarHBondContact O-CB 3.23Å; S486-K489 PolarHBondContact O-N 3.34Å; S486-K489 PolarHBondContact OG-N 2.94Å; I487-K489 PolarHBondContact O-N 3.34Å; K489-R492 PolarHBondContact O-N 2.91Å; K489-H493 WeakPolarHBondContact O-CB 3.44Å; K489-H493 PolarHBondContact O-N 3.03Å
490	L	73.6	Confident	73.3	Confident	15 Å²	15	75.4 Å²	75.4	8%	0.079	39%	0.391	C	S	.	.	H	α-helix	trans	-64	-50.6	176.5	176.3	62	0	0	0	112.6	C475 P476 C477 F484 S486 I487 R492 H493 Y494	C475-L490 HydrophobicContact CB-CB 4.31Å; C475-L490 HydrophobicContact CB-CD2 3.79Å; P476-L490 WeakPolarHBondContact O-CD1 3.17Å; P476-L490 WeakPolarHBondContact O-CD2 3.25Å; C477-L490 HydrophobicContact CB-CD1 3.65Å; F484-L490 HydrophobicContact CB-CB 4.26Å; F484-L490 HydrophobicContact CD2-CB 4.26Å; F484-L490 HydrophobicContact CD2-CD1 3.8Å; F484-L490 HydrophobicContact CE2-CD1 4.18Å; F484-L490 HydrophobicContact CG-CB 4.39Å; S486-L490 PolarHBondContact O-N 3.22Å; I487-L490 PolarHBondContact O-N 3.23Å; L490-R492 VanDerWaalsContact C-N 3.29Å; L490-R492 PolarHBondContact O-N 3.39Å; L490-H493 CarbonylContact O-C 3.51Å; L490-H493 WeakPolarHBondContact O-CA 3.49Å; L490-H493 WeakPolarHBondContact O-CB 3.29Å; L490-H493 PolarHBondContact O-N 3.22Å; L490-Y494 HydrophobicContact CD1-CD2 3.91Å; L490-Y494 HydrophobicContact CD1-CE2 3.62Å; L490-Y494 HydrophobicContact CD2-CE2 4.13Å; L490-Y494 HydrophobicContact CG-CD2 3.9Å; L490-Y494 HydrophobicContact CG-CE2 3.75Å; L490-Y494 PolarHBondContact O-N 3.26Å
491	K	74.9	Confident	73.4	Confident	91 Å²	91	80.6 Å²	80.6	40%	0.396	41%	0.405	S	S	.	.	H	α-helix	trans	-55.9	-42.4	175.8	-75.5	-164.3	173.6	-162.4	0	111.9	I487 H493 Y494 L495	I487-K491 HydrophobicContact CG2-CG 4.33Å; I487-K491 PolarHBondContact O-N 2.79Å; K491-H493 VanDerWaalsContact C-N 3.28Å; K491-H493 PolarHBondContact O-N 3.18Å; K491-Y494 PolarHBondContact O-N 3.43Å; K491-L495 PolarHBondContact O-N 3.01Å
492	R	75.6	Confident	73.4	Confident	121 Å²	121	75 Å²	75	46%	0.457	39%	0.385	S	S	.	.	H	α-helix	trans	-66.8	-27	174.6	-171.7	-177.2	66.3	160.7	-4.5	113.2	S488 K489 L490 Q514	S488-R492 WeakPolarHBondContact O-CB 3.39Å; S488-R492 PolarHBondContact O-N 3.16Å; K489-R492 PolarHBondContact O-N 2.91Å; L490-R492 VanDerWaalsContact C-N 3.29Å; L490-R492 PolarHBondContact O-N 3.39Å; R492-Q514 HydrophobicContact CG-CG 4.3Å
493	H	76.7	Confident	73.9	Confident	14 Å²	14	71.6 Å²	71.6	7%	0.065	37%	0.37	C	S	.	.	H	α-helix	trans	-78	-33.6	172.2	166.8	61.9	0	0	0	112.2	C477 C480 F484 K489 L490 K491 L495 I496 H497	C477-H493 VanDerWaalsContact SG-CD2 3.59Å; C477-H493 PolarHBondContact SG-NE2 3.4Å; C477-H493 VanDerWaalsContact SG-NE2 3.41Å; C480-H493 PolarHBondContact SG-NE2 3.41Å; F484-H493 HydrophobicContact CE1-CB 3.92Å; F484-H493 HydrophobicContact CE2-CB 3.94Å; F484-H493 AromaticContact CE2-CD2 3.19Å; F484-H493 WeakPolarHBondContact CE2-CD2 3.47Å; F484-H493 AromaticContact CE2-CG 3.55Å; F484-H493 AromaticContact CE2-NE2 3.82Å; F484-H493 HydrophobicContact CZ-CB 3.51Å; F484-H493 AromaticContact CZ-CD2 3.38Å; F484-H493 WeakPolarHBondContact CZ-CD2 3.38Å; F484-H493 AromaticContact CZ-CG 3.22Å; F484-H493 AromaticContact CZ-ND1 3.75Å; F484-H493 AromaticContact CZ-NE2 3.94Å; K489-H493 WeakPolarHBondContact O-CB 3.44Å; K489-H493 PolarHBondContact O-N 3.03Å; L490-H493 CarbonylContact O-C 3.51Å; L490-H493 WeakPolarHBondContact O-CA 3.49Å; L490-H493 WeakPolarHBondContact O-CB 3.29Å; L490-H493 PolarHBondContact O-N 3.22Å; K491-H493 VanDerWaalsContact C-N 3.28Å; K491-H493 PolarHBondContact O-N 3.18Å; H493-L495 PolarHBondContact O-N 3.23Å; H493-I496 WeakPolarHBondContact O-CA 3.34Å; H493-I496 WeakPolarHBondContact O-CB 3.36Å; H493-I496 WeakPolarHBondContact O-CG1 3.31Å; H493-I496 PolarHBondContact O-N 2.86Å; H493-H497 AromaticContact CE1-CD2 3.96Å; H493-H497 AromaticContact CE1-NE2 3.53Å; H493-H497 AromaticContact NE2-CD2 3.72Å; H493-H497 AromaticContact NE2-NE2 3.27Å; H493-H497 PolarHBondContact NE2-NE2 3.01Å
494	Y	72.7	Confident	73.7	Confident	47 Å²	47	68.7 Å²	68.7	18%	0.184	36%	0.359	C	S	.	.	H	α-helix	trans	-60.3	-28.9	174.5	-90.1	-56.8	0	0	0	113.5	C477 D478 K479 L490 K491 I496 H497 T498	C477-Y494 WeakPolarHBondContact SG-CE1 3.39Å; D478-Y494 WeakPolarHBondContact CB-OH 3.2Å; D478-Y494 PolarHBondContact N-OH 3.22Å; D478-Y494 PolarHBondContact OD2-OH 3.48Å; K479-Y494 HydrophobicContact CB-CE1 4.32Å; K479-Y494 HydrophobicContact CD-CE1 4.45Å; K479-Y494 HydrophobicContact CG-CE1 4.19Å; L490-Y494 HydrophobicContact CD1-CD2 3.91Å; L490-Y494 HydrophobicContact CD1-CE2 3.62Å; L490-Y494 HydrophobicContact CD2-CE2 4.13Å; L490-Y494 HydrophobicContact CG-CD2 3.9Å; L490-Y494 HydrophobicContact CG-CE2 3.75Å; L490-Y494 PolarHBondContact O-N 3.26Å; K491-Y494 PolarHBondContact O-N 3.43Å; Y494-I496 PolarHBondContact O-N 3.02Å; Y494-H497 HydrophobicContact CD1-CB 4.47Å; Y494-H497 PolarHBondContact O-N 3.02Å; Y494-T498 PolarHBondContact O-N 2.89Å; Y494-T498 PolarHBondContact O-OG1 3.28Å
495	L	77.3	Confident	73.8	Confident	26 Å²	26	67 Å²	67	14%	0.136	35%	0.352	C	S	.	.	H	α-helix	trans	-59	-14.1	168.5	-59.9	176.2	0	0	0	114.1	K491 H493 G499 Q500 P502 R513	K491-L495 PolarHBondContact O-N 3.01Å; H493-L495 PolarHBondContact O-N 3.23Å; L495-G499 CarbonylContact O-C 3.49Å; L495-Q500 HydrophobicContact CD2-CB 3.88Å; L495-P502 HydrophobicContact CD1-CG 4.28Å; L495-P502 HydrophobicContact CD2-CG 4.15Å; L495-R513 HydrophobicContact CB-CG 4.48Å; L495-R513 PolarHBondContact O-NE 3.15Å; L495-R513 PolarHBondContact O-NH2 2.97Å
496	I	72.6	Confident	74	Confident	92 Å²	92	71.7 Å²	71.7	47%	0.472	37%	0.374	S	S	.	.	H	α-helix	trans	-76.3	-46	169.8	-55.6	-175.5	0	0	0	110.2	H493 Y494 R513	H493-I496 WeakPolarHBondContact O-CA 3.34Å; H493-I496 WeakPolarHBondContact O-CB 3.36Å; H493-I496 WeakPolarHBondContact O-CG1 3.31Å; H493-I496 PolarHBondContact O-N 2.86Å; Y494-I496 PolarHBondContact O-N 3.02Å; I496-R513 PolarHBondContact O-NH2 3.38Å
497	H	72.4	Confident	73.7	Confident	70 Å²	70	75 Å²	75	32%	0.324	39%	0.387	S	S	.	.	H	α-helix	trans	-73.9	-34.9	179.7	-67.3	-75.5	0	0	0	113.5	K479 C480 H493 Y494 G499	K479-H497 HydrophobicContact CD-CB 4.17Å; K479-H497 PolarHBondContact O-CE1 3.48Å; C480-H497 PolarHBondContact SG-NE2 3.48Å; C480-H497 VanDerWaalsContact SG-NE2 3.36Å; H493-H497 AromaticContact CE1-CD2 3.96Å; H493-H497 AromaticContact CE1-NE2 3.53Å; H493-H497 AromaticContact NE2-CD2 3.72Å; H493-H497 AromaticContact NE2-NE2 3.27Å; H493-H497 PolarHBondContact NE2-NE2 3.01Å; Y494-H497 HydrophobicContact CD1-CB 4.47Å; Y494-H497 PolarHBondContact O-N 3.02Å; H497-G499 VanDerWaalsContact C-N 3.3Å
498	T	70.8	Confident	73.9	Confident	70 Å²	70	72.4 Å²	72.4	43%	0.429	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	1.2	177.2	63.1	0	0	0	0	113.4	Y494 Q500	Y494-T498 PolarHBondContact O-N 2.89Å; Y494-T498 PolarHBondContact O-OG1 3.28Å; T498-Q500 PolarHBondContact O-N 3.09Å; T498-Q500 PolarHBondContact OG1-OE1 3.1Å
499	G	69.1	Low	73.9	Confident	37 Å²	37	70.6 Å²	70.6	38%	0.381	37%	0.374	S	S	.	.			trans	72.2	-34.4	-175.8	0	0	0	0	0	115.1	L495 H497 R513	L495-G499 CarbonylContact O-C 3.49Å; H497-G499 VanDerWaalsContact C-N 3.3Å; G499-R513 PolarHBondContact O-NH2 3.24Å
500	Q	69.3	Low	73.9	Confident	119 Å²	119	72.4 Å²	72.4	56%	0.556	38%	0.382	S	S	*	.			trans	-42.7	138.7	-169.9	-72.8	171.5	-19.5	0	0	115.2	L495 T498 R513	L495-Q500 HydrophobicContact CD2-CB 3.88Å; T498-Q500 PolarHBondContact O-N 3.09Å; T498-Q500 PolarHBondContact OG1-OE1 3.1Å; Q500-R513 WeakPolarHBondContact O-CG 3.15Å
501	R	74.4	Confident	74	Confident	148 Å²	148	73.8 Å²	73.8	56%	0.558	39%	0.393	S	S	*	.			trans	-132.4	76	-177.3	-73.3	158.4	173.5	-120.6	17.3	110.1	F503 S511 F512 R513	R501-F503 PolarHBondContact O-N 3.36Å; R501-S511 VanDerWaalsContact CD-O 3.3Å; R501-S511 WeakPolarHBondContact CD-O 3.45Å; R501-S511 PolarHBondContact NH1-O 3.37Å; R501-F512 CarbonylContact C-O 3.59Å; R501-F512 WeakPolarHBondContact CA-O 3.45Å; R501-R513 HydrophobicContact CG-CG 4.02Å
502	P	72.9	Confident	74.2	Confident	77 Å²	77	71.7 Å²	71.7	50%	0.5	38%	0.384	S	S	.	.			trans	-68.5	-0.3	-167.2	-21.7	34.8	0	0	0	116.6	L495	L495-P502 HydrophobicContact CD1-CG 4.28Å; L495-P502 HydrophobicContact CD2-CG 4.15Å
503	F	79.1	Confident	74.1	Confident	56 Å²	56	69.9 Å²	69.9	25%	0.246	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	84.9	-174.7	-56.7	-77.8	0	0	0	109.7	R501 F512 Q514 L518	R501-F503 PolarHBondContact O-N 3.36Å; F503-F512 HydrophobicContact CB-CB 4.43Å; F503-F512 PolarHBondContact N-O 3.24Å; F503-F512 VanDerWaalsContact N-O 3.13Å; F503-F512 PolarHBondContact O-N 3.49Å; F503-Q514 VanDerWaalsContact CD2-C 3.5Å; F503-L518 HydrophobicContact CB-CB 4.12Å; F503-L518 HydrophobicContact CB-CD2 3.89Å
504	G	69.2	Low	74.1	Confident	31 Å²	31	71.7 Å²	71.7	32%	0.32	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	150.4	173.9	0	0	0	0	0	112.8	S511 L518	G504-S511 WeakPolarHBondContact CA-OG 3.08Å; G504-L518 WeakPolarHBondContact O-CD1 3.26Å; G504-L518 VanDerWaalsContact O-CD2 3.26Å; G504-L518 WeakPolarHBondContact O-CD2 3.34Å
505	C	80.4	Confident	74	Confident	3 Å²	3	72.3 Å²	72.3	2%	0.02	40%	0.397	C	S	.	.			trans	-101.1	117.4	171.7	-175	0	0	0	0	110.4	I507 C508 G509 K510 F512 L518 H525	C505-I507 PolarHBondContact O-N 3.34Å; C505-I507 VanDerWaalsContact O-N 3.1Å; C505-C508 PolarHBondContact O-N 3.24Å; C505-G509 WeakPolarHBondContact O-CA 3.39Å; C505-G509 PolarHBondContact O-N 3.48Å; C505-K510 VanDerWaalsContact CB-O 3.31Å; C505-K510 WeakPolarHBondContact CB-O 3.37Å; C505-K510 PolarHBondContact N-O 3.39Å; C505-F512 HydrophobicContact CB-CE2 4.47Å; C505-L518 HydrophobicContact CB-CD1 3.5Å; C505-H525 PolarHBondContact SG-NE2 3.49Å; C505-H525 VanDerWaalsContact SG-NE2 3.44Å
506	N	74.3	Confident	73.8	Confident	160 Å²	160	74.1 Å²	74.1	86%	0.856	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.6	-174.7	-59.8	1.3	0	0	0	113.8
507	I	72.1	Confident	74.1	Confident	111 Å²	111	73.2 Å²	73.2	57%	0.569	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-25.7	-175.4	-59.9	171.5	0	0	0	112.5	C505 H525	C505-I507 PolarHBondContact O-N 3.34Å; C505-I507 VanDerWaalsContact O-N 3.1Å; I507-H525 HydrophobicContact CD1-CB 3.64Å; I507-H525 HydrophobicContact CG2-CB 4.16Å
508	C	76.3	Confident	74.3	Confident	51 Å²	51	70.7 Å²	70.7	35%	0.345	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.9	22.5	-179.4	68	0	0	0	0	115.5	C505 K510 H521 H525	C505-C508 PolarHBondContact O-N 3.24Å; C508-K510 PolarHBondContact O-N 3.14Å; C508-H521 PolarHBondContact SG-NE2 3.13Å; C508-H525 PolarHBondContact SG-CE1 3.47Å; C508-H525 PolarHBondContact SG-NE2 3.26Å; C508-H525 VanDerWaalsContact SG-NE2 3.41Å
509	G	72.4	Confident	74.6	Confident	58 Å²	58	74 Å²	74	60%	0.598	41%	0.407	S	S	*	.			trans	67.6	-13.8	175.9	0	0	0	0	0	116.5	C505 S511	C505-G509 WeakPolarHBondContact O-CA 3.39Å; C505-G509 PolarHBondContact O-N 3.48Å; G509-S511 PolarHBondContact O-N 3.27Å; G509-S511 VanDerWaalsContact O-N 3.1Å; G509-S511 PolarHBondContact O-OG 3.47Å; G509-S511 VanDerWaalsContact O-OG 3.06Å
510	K	75.6	Confident	74.8	Confident	123 Å²	123	79.7 Å²	79.7	54%	0.535	42%	0.417	S	S	.	.			trans	-57.3	117.7	-175.8	-72.4	175.6	-169.3	159.8	0	110.5	C505 C508 F512	C505-K510 VanDerWaalsContact CB-O 3.31Å; C505-K510 WeakPolarHBondContact CB-O 3.37Å; C505-K510 PolarHBondContact N-O 3.39Å; C508-K510 PolarHBondContact O-N 3.14Å; K510-F512 HydrophobicContact CB-CE2 3.89Å; K510-F512 HydrophobicContact CB-CZ 4.09Å; K510-F512 VanDerWaalsContact O-CD2 3.31Å; K510-F512 WeakPolarHBondContact O-CD2 3.46Å; K510-F512 WeakPolarHBondContact O-CE2 3.35Å
511	S	76.8	Confident	75.1	Confident	45 Å²	45	75.1 Å²	75.1	32%	0.315	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	136.3	-173.1	-67.4	0	0	0	0	112.7	R501 G504 G509	R501-S511 VanDerWaalsContact CD-O 3.3Å; R501-S511 WeakPolarHBondContact CD-O 3.45Å; R501-S511 PolarHBondContact NH1-O 3.37Å; G504-S511 WeakPolarHBondContact CA-OG 3.08Å; G509-S511 PolarHBondContact O-N 3.27Å; G509-S511 VanDerWaalsContact O-N 3.1Å; G509-S511 PolarHBondContact O-OG 3.47Å; G509-S511 VanDerWaalsContact O-OG 3.06Å
512	F	77.3	Confident	75	Confident	47 Å²	47	70.9 Å²	70.9	21%	0.206	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	153.2	-170.3	-60.8	-90.4	0	0	0	112.9	R501 F503 C505 K510 Q514 H517 L518 H521	R501-F512 CarbonylContact C-O 3.59Å; R501-F512 WeakPolarHBondContact CA-O 3.45Å; F503-F512 HydrophobicContact CB-CB 4.43Å; F503-F512 PolarHBondContact N-O 3.24Å; F503-F512 VanDerWaalsContact N-O 3.13Å; F503-F512 PolarHBondContact O-N 3.49Å; C505-F512 HydrophobicContact CB-CE2 4.47Å; K510-F512 HydrophobicContact CB-CE2 3.89Å; K510-F512 HydrophobicContact CB-CZ 4.09Å; K510-F512 VanDerWaalsContact O-CD2 3.31Å; K510-F512 WeakPolarHBondContact O-CD2 3.46Å; K510-F512 WeakPolarHBondContact O-CE2 3.35Å; F512-Q514 VanDerWaalsContact C-N 3.28Å; F512-Q514 PolarHBondContact O-N 3.18Å; F512-H517 HydrophobicContact CB-CB 4.29Å; F512-H517 HydrophobicContact CD1-CB 3.94Å; F512-H517 HydrophobicContact CG-CB 4.34Å; F512-L518 HydrophobicContact CB-CB 4.5Å; F512-L518 HydrophobicContact CD2-CB 4.11Å; F512-L518 HydrophobicContact CD2-CD1 4.08Å; F512-L518 HydrophobicContact CE2-CD1 4.31Å; F512-H521 HydrophobicContact CE1-CB 4.36Å; F512-H521 HydrophobicContact CE2-CB 4.02Å; F512-H521 AromaticContact CE2-CD2 3.37Å; F512-H521 WeakPolarHBondContact CE2-CD2 3.4Å; F512-H521 AromaticContact CE2-CG 3.88Å; F512-H521 HydrophobicContact CZ-CB 3.67Å; F512-H521 AromaticContact CZ-CD2 3.45Å; F512-H521 VanDerWaalsContact CZ-CD2 3.45Å; F512-H521 WeakPolarHBondContact CZ-CD2 3.38Å; F512-H521 AromaticContact CZ-CG 3.55Å
513	R	73.7	Confident	75.2	Confident	82 Å²	82	72.9 Å²	72.9	31%	0.309	39%	0.385	S	S	.	.	S	Bend	trans	-77.8	-7.2	174.6	-67.9	-178.7	170.7	146.3	-3.9	114.1	L495 I496 G499 Q500 R501	L495-R513 HydrophobicContact CB-CG 4.48Å; L495-R513 PolarHBondContact O-NE 3.15Å; L495-R513 PolarHBondContact O-NH2 2.97Å; I496-R513 PolarHBondContact O-NH2 3.38Å; G499-R513 PolarHBondContact O-NH2 3.24Å; Q500-R513 WeakPolarHBondContact O-CG 3.15Å; R501-R513 HydrophobicContact CG-CG 4.02Å
514	Q	77.7	Confident	74.8	Confident	52 Å²	52	73.7 Å²	73.7	24%	0.243	39%	0.394	C	S	.	.			trans	-150.5	133.3	-175.3	-58	-170.6	57.3	0	0	111.4	R492 F503 F512 A516 H517 L518	R492-Q514 HydrophobicContact CG-CG 4.3Å; F503-Q514 VanDerWaalsContact CD2-C 3.5Å; F512-Q514 VanDerWaalsContact C-N 3.28Å; F512-Q514 PolarHBondContact O-N 3.18Å; Q514-A516 PolarHBondContact O-N 3.3Å; Q514-H517 HydrophobicContact CB-CB 4.46Å; Q514-H517 WeakPolarHBondContact O-CB 3.47Å; Q514-H517 PolarHBondContact O-N 3.46Å; Q514-L518 PolarHBondContact O-N 2.97Å; Q514-L518 VanDerWaalsContact O-N 3.13Å
515	S	70.4	Confident	75	Confident	60 Å²	60	75.4 Å²	75.4	42%	0.42	39%	0.394	S	S	.	.	H	α-helix	trans	-57.8	-32.3	174.8	54.5	0	0	0	0	113.6	H517 L518 K519	S515-H517 VanDerWaalsContact C-N 3.27Å; S515-H517 PolarHBondContact O-N 3.16Å; S515-L518 PolarHBondContact O-N 2.9Å; S515-K519 WeakPolarHBondContact O-CG 3.31Å; S515-K519 PolarHBondContact O-N 2.91Å
516	A	73.3	Confident	74.1	Confident	65 Å²	65	81 Å²	81	54%	0.537	42%	0.424	S	S	.	.	H	α-helix	trans	-66.9	-25.4	174.3	0	0	0	0	0	113.5	Q514	Q514-A516 PolarHBondContact O-N 3.3Å
517	H	79.3	Confident	72.9	Confident	72 Å²	72	80.3 Å²	80.3	33%	0.333	42%	0.415	S	S	.	.	H	α-helix	trans	-82.5	-37.1	173.2	-68	-175.2	0	0	0	111.2	F512 Q514 S515 R520 H521	F512-H517 HydrophobicContact CB-CB 4.29Å; F512-H517 HydrophobicContact CD1-CB 3.94Å; F512-H517 HydrophobicContact CG-CB 4.34Å; Q514-H517 HydrophobicContact CB-CB 4.46Å; Q514-H517 WeakPolarHBondContact O-CB 3.47Å; Q514-H517 PolarHBondContact O-N 3.46Å; S515-H517 VanDerWaalsContact C-N 3.27Å; S515-H517 PolarHBondContact O-N 3.16Å; H517-R520 PolarHBondContact O-N 2.8Å; H517-H521 PolarHBondContact O-N 2.95Å; H517-H521 VanDerWaalsContact O-N 3.16Å
518	L	76.7	Confident	71.7	Confident	17 Å²	17	84.8 Å²	84.8	9%	0.089	43%	0.43	C	S	.	.	H	α-helix	trans	-57.8	-52.4	170.2	172.3	60.7	0	0	0	110.8	F503 G504 C505 F512 Q514 S515 R520 H521 E522	F503-L518 HydrophobicContact CB-CB 4.12Å; F503-L518 HydrophobicContact CB-CD2 3.89Å; G504-L518 WeakPolarHBondContact O-CD1 3.26Å; G504-L518 VanDerWaalsContact O-CD2 3.26Å; G504-L518 WeakPolarHBondContact O-CD2 3.34Å; C505-L518 HydrophobicContact CB-CD1 3.5Å; F512-L518 HydrophobicContact CB-CB 4.5Å; F512-L518 HydrophobicContact CD2-CB 4.11Å; F512-L518 HydrophobicContact CD2-CD1 4.08Å; F512-L518 HydrophobicContact CE2-CD1 4.31Å; Q514-L518 PolarHBondContact O-N 2.97Å; Q514-L518 VanDerWaalsContact O-N 3.13Å; S515-L518 PolarHBondContact O-N 2.9Å; L518-R520 VanDerWaalsContact C-N 3.31Å; L518-R520 PolarHBondContact O-N 3.09Å; L518-H521 CarbonylContact O-C 3.49Å; L518-H521 WeakPolarHBondContact O-CA 3.33Å; L518-H521 WeakPolarHBondContact O-CB 3.46Å; L518-H521 PolarHBondContact O-N 3.25Å; L518-E522 HydrophobicContact CD1-CG 3.86Å; L518-E522 HydrophobicContact CG-CG 4.16Å; L518-E522 WeakPolarHBondContact CG-OE1 3.28Å; L518-E522 WeakPolarHBondContact O-CG 3.3Å; L518-E522 PolarHBondContact O-N 3.33Å
519	K	75.4	Confident	69.6	Low	141 Å²	141	85.7 Å²	85.7	61%	0.613	44%	0.437	S	S	*	.	H	α-helix	trans	-59.1	-36.2	-179.6	-71.1	-165.2	174.4	-148.5	0	114.6	S515 H521 E522 Q523	S515-K519 WeakPolarHBondContact O-CG 3.31Å; S515-K519 PolarHBondContact O-N 2.91Å; K519-H521 VanDerWaalsContact C-N 3.28Å; K519-H521 PolarHBondContact O-N 3.31Å; K519-E522 WeakPolarHBondContact CA-OE2 3.03Å; K519-E522 WeakPolarHBondContact CG-OE2 3.22Å; K519-E522 PolarHBondContact O-N 3.33Å; K519-Q523 WeakPolarHBondContact O-CG 3.36Å; K519-Q523 PolarHBondContact O-N 2.93Å; K519-Q523 VanDerWaalsContact O-N 3.16Å
520	R	73.5	Confident	67.9	Low	155 Å²	155	88.9 Å²	88.9	59%	0.585	45%	0.448	S	S	*	.	H	α-helix	trans	-69.6	-25.7	173	-175.4	178.8	60.2	-165	-7.1	112.7	H517 L518	H517-R520 PolarHBondContact O-N 2.8Å; L518-R520 VanDerWaalsContact C-N 3.31Å; L518-R520 PolarHBondContact O-N 3.09Å
521	H	76.1	Confident	65.9	Low	23 Å²	23	93.6 Å²	93.6	11%	0.106	46%	0.464	C	S	.	.	H	α-helix	trans	-85.4	-33.7	174.4	174.6	48.6	0	0	0	112.4	C508 F512 H517 L518 K519 Q523 T524 H525	C508-H521 PolarHBondContact SG-NE2 3.13Å; F512-H521 HydrophobicContact CE1-CB 4.36Å; F512-H521 HydrophobicContact CE2-CB 4.02Å; F512-H521 AromaticContact CE2-CD2 3.37Å; F512-H521 WeakPolarHBondContact CE2-CD2 3.4Å; F512-H521 AromaticContact CE2-CG 3.88Å; F512-H521 HydrophobicContact CZ-CB 3.67Å; F512-H521 AromaticContact CZ-CD2 3.45Å; F512-H521 VanDerWaalsContact CZ-CD2 3.45Å; F512-H521 WeakPolarHBondContact CZ-CD2 3.38Å; F512-H521 AromaticContact CZ-CG 3.55Å; H517-H521 PolarHBondContact O-N 2.95Å; H517-H521 VanDerWaalsContact O-N 3.16Å; L518-H521 CarbonylContact O-C 3.49Å; L518-H521 WeakPolarHBondContact O-CA 3.33Å; L518-H521 WeakPolarHBondContact O-CB 3.46Å; L518-H521 PolarHBondContact O-N 3.25Å; K519-H521 VanDerWaalsContact C-N 3.28Å; K519-H521 PolarHBondContact O-N 3.31Å; H521-Q523 PolarHBondContact O-N 3.13Å; H521-T524 PolarHBondContact ND1-OG1 3.39Å; H521-T524 PolarHBondContact O-N 3.25Å; H521-T524 PolarHBondContact O-OG1 3.44Å; H521-H525 AromaticContact CD2-NE2 3.81Å; H521-H525 AromaticContact CE1-CE1 3.54Å; H521-H525 AromaticContact CE1-NE2 3.16Å; H521-H525 PolarHBondContact CE1-NE2 3.45Å; H521-H525 AromaticContact ND1-NE2 3.99Å; H521-H525 AromaticContact NE2-CE1 3.75Å; H521-H525 AromaticContact NE2-NE2 3.04Å; H521-H525 PolarHBondContact NE2-NE2 3.47Å; H521-H525 PolarHBondContact O-CD2 3.34Å
522	E	73.1	Confident	64	Low	60 Å²	60	95 Å²	95	28%	0.28	48%	0.478	S	S	.	.	H	α-helix	trans	-58.8	-35.1	169.2	-69.2	166.4	158.7	0	0	110.8	L518 K519 T524 H525 N526	L518-E522 HydrophobicContact CD1-CG 3.86Å; L518-E522 HydrophobicContact CG-CG 4.16Å; L518-E522 WeakPolarHBondContact CG-OE1 3.28Å; L518-E522 WeakPolarHBondContact O-CG 3.3Å; L518-E522 PolarHBondContact O-N 3.33Å; K519-E522 WeakPolarHBondContact CA-OE2 3.03Å; K519-E522 WeakPolarHBondContact CG-OE2 3.22Å; K519-E522 PolarHBondContact O-N 3.33Å; E522-T524 VanDerWaalsContact C-N 3.33Å; E522-T524 PolarHBondContact O-N 3.03Å; E522-H525 PolarHBondContact O-N 2.91Å; E522-H525 VanDerWaalsContact O-N 3.16Å; E522-N526 PolarHBondContact O-N 3.42Å; E522-N526 PolarHBondContact O-ND2 3.33Å
523	Q	76.6	Confident	62.2	Low	119 Å²	119	98 Å²	98	56%	0.556	51%	0.505	S	S	*	.	H	α-helix	trans	-58.9	-39.2	170.4	-73.7	170	-34.1	0	0	112.8	K519 H521 H525 N526 E527	K519-Q523 WeakPolarHBondContact O-CG 3.36Å; K519-Q523 PolarHBondContact O-N 2.93Å; K519-Q523 VanDerWaalsContact O-N 3.16Å; H521-Q523 PolarHBondContact O-N 3.13Å; Q523-H525 PolarHBondContact O-N 3.16Å; Q523-H525 VanDerWaalsContact O-N 3.14Å; Q523-N526 PolarHBondContact O-N 3Å; Q523-E527 PolarHBondContact O-N 3.41Å
524	T	69.8	Low	60.5	Low	73 Å²	73	101.7 Å²	101.7	45%	0.448	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-10.1	177.2	59.7	0	0	0	0	114.8	H521 E522	H521-T524 PolarHBondContact ND1-OG1 3.39Å; H521-T524 PolarHBondContact O-N 3.25Å; H521-T524 PolarHBondContact O-OG1 3.44Å; E522-T524 VanDerWaalsContact C-N 3.33Å; E522-T524 PolarHBondContact O-N 3.03Å
525	H	74.3	Confident	58.1	Low	67 Å²	67	105.1 Å²	105.1	31%	0.31	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.3	-15.2	168.8	-59.3	-58.8	0	0	0	113	C505 I507 C508 H521 E522 Q523	C505-H525 PolarHBondContact SG-NE2 3.49Å; C505-H525 VanDerWaalsContact SG-NE2 3.44Å; I507-H525 HydrophobicContact CD1-CB 3.64Å; I507-H525 HydrophobicContact CG2-CB 4.16Å; C508-H525 PolarHBondContact SG-CE1 3.47Å; C508-H525 PolarHBondContact SG-NE2 3.26Å; C508-H525 VanDerWaalsContact SG-NE2 3.41Å; H521-H525 AromaticContact CD2-NE2 3.81Å; H521-H525 AromaticContact CE1-CE1 3.54Å; H521-H525 AromaticContact CE1-NE2 3.16Å; H521-H525 PolarHBondContact CE1-NE2 3.45Å; H521-H525 AromaticContact ND1-NE2 3.99Å; H521-H525 AromaticContact NE2-CE1 3.75Å; H521-H525 AromaticContact NE2-NE2 3.04Å; H521-H525 PolarHBondContact NE2-NE2 3.47Å; H521-H525 PolarHBondContact O-CD2 3.34Å; E522-H525 PolarHBondContact O-N 2.91Å; E522-H525 VanDerWaalsContact O-N 3.16Å; Q523-H525 PolarHBondContact O-N 3.16Å; Q523-H525 VanDerWaalsContact O-N 3.14Å
526	N	61.7	Low	56.3	Low	120 Å²	120	111.2 Å²	111.2	64%	0.642	58%	0.58	S	S	*	*	S	Bend	trans	-102.7	6.5	-178.1	-71.3	-79.9	0	0	0	112.7	E522 Q523 K528	E522-N526 PolarHBondContact O-N 3.42Å; E522-N526 PolarHBondContact O-ND2 3.33Å; Q523-N526 PolarHBondContact O-N 3Å; N526-K528 PolarHBondContact O-N 3.36Å
527	E	49.8	Very low	54.3	Low	145 Å²	145	113 Å²	113	68%	0.678	58%	0.584	S	S	*	*			trans	-79.1	45.1	-179.1	-83.1	172.8	-157.3	0	0	113.6	Q523 S529	Q523-E527 PolarHBondContact O-N 3.41Å; E527-S529 VanDerWaalsContact C-N 3.31Å; E527-S529 PolarHBondContact O-N 3.3Å
528	K	46.8	Very low	52.1	Low	205 Å²	205	116.5 Å²	116.5	89%	0.891	61%	0.605	S	S	*	*			trans	-81.4	83.7	153.5	-78.8	-164.7	174.8	-171.8	0	108.5	N526	N526-K528 PolarHBondContact O-N 3.36Å
529	S	31	Very low	49.7	Very low	70 Å²	70	124.9 Å²	124.9	49%	0.49	64%	0.641	S	S	.	*			trans	-79.9	145	178.8	-175.6	0	0	0	0	111.7	E527 Y531 A532	E527-S529 VanDerWaalsContact C-N 3.31Å; E527-S529 PolarHBondContact O-N 3.3Å; S529-Y531 PolarHBondContact O-N 2.99Å; S529-A532 PolarHBondContact O-N 2.82Å; S529-A532 VanDerWaalsContact O-N 3.15Å
530	P	36.2	Very low	47.5	Very low	125 Å²	125	121.3 Å²	121.3	81%	0.812	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	14.7	175.5	-23.2	34.9	0	0	0	117
531	Y	34.9	Very low	45.4	Very low	223 Å²	223	121 Å²	121	88%	0.875	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121	11.2	176.4	-90.9	-84.4	0	0	0	112.8	S529 S533	S529-Y531 PolarHBondContact O-N 2.99Å; Y531-S533 PolarHBondContact O-N 2.81Å
532	A	35.9	Very low	43	Very low	74 Å²	74	129.2 Å²	129.2	61%	0.612	69%	0.69	S	S	*	*			trans	-94.5	54.6	-179.8	0	0	0	0	0	112.7	S529	S529-A532 PolarHBondContact O-N 2.82Å; S529-A532 VanDerWaalsContact O-N 3.15Å
533	S	40	Very low	40.7	Very low	110 Å²	110	132 Å²	132	77%	0.769	71%	0.707	S	S	*	*			trans	-115.5	21	178.1	-53.3	0	0	0	0	113.5	Y531	Y531-S533 PolarHBondContact O-N 2.81Å
534	L	38.5	Very low	38.2	Very low	160 Å²	160	133.3 Å²	133.3	84%	0.838	72%	0.718	S	S	*	*	S	Bend	trans	-142.2	156.3	163.7	-92.1	111.8	0	0	0	109
535	C	26.3	Very low	36.1	Very low	123 Å²	123	138.3 Å²	138.3	83%	0.831	74%	0.74	S	S	*	*			trans	67	54.7	-175.4	-56.9	0	0	0	0	115.2	V537	C535-V537 PolarHBondContact O-N 2.95Å
536	Q	34	Very low	33.7	Very low	188 Å²	188	140 Å²	140	88%	0.879	76%	0.76	S	S	*	*			trans	-81.8	97.4	148.7	-172.7	175.7	7.4	0	0	107.9
537	V	31	Very low	32.1	Very low	103 Å²	103	142.1 Å²	142.1	62%	0.624	77%	0.771	S	S	*	*			trans	-143.8	120.5	168	-168.5	0	0	0	0	108	C535 F539	C535-V537 PolarHBondContact O-N 2.95Å; V537-F539 HydrophobicContact CB-CE2 4.33Å; V537-F539 HydrophobicContact CG1-CE2 4.11Å
538	D	32.5	Very low	31.6	Very low	146 Å²	146	141.1 Å²	141.1	78%	0.781	78%	0.777	S	S	*	*			trans	-72	141.2	176.6	-66.2	-74.6	0	0	0	111.6
539	F	27	Very low	30.6	Very low	193 Å²	193	134.8 Å²	134.8	85%	0.846	77%	0.77	S	S	*	*			trans	-121	76.9	170	-82.2	-80.3	0	0	0	110.4	V537	V537-F539 HydrophobicContact CB-CE2 4.33Å; V537-F539 HydrophobicContact CG1-CE2 4.11Å
540	G	27.9	Very low	30.4	Very low	65 Å²	65	139.1 Å²	139.1	67%	0.67	79%	0.788	S	S	*	*			trans	-64.8	179	152.7	0	0	0	0	0	111.5
541	N	29.4	Very low	29.8	Very low	149 Å²	149	140.6 Å²	140.6	80%	0.797	79%	0.789	S	S	*	*			trans	-61.1	143.2	175.3	-65.5	-47.5	0	0	0	111.1
542	F	26.4	Very low	29.5	Very low	195 Å²	195	135.8 Å²	135.8	86%	0.855	78%	0.783	S	S	*	*				-163.4	176.2	99.1	-104.8	-69.3	0	0	0	112.3
543	N	25	Very low	29	Very low	119 Å²	119	138.1 Å²	138.1	64%	0.636	79%	0.785	S	S	*	*			trans	-97.4	167.1	-176.9	-60.5	-84.1	0	0	0	111
544	N	24.7	Very low	28.3	Very low	147 Å²	147	143.4 Å²	143.4	79%	0.786	79%	0.79	S	S	*	*			trans	59.9	104.3	155	-54.9	-15.6	0	0	0	118.1
545	L	25.6	Very low	27.6	Very low	177 Å²	177	142.5 Å²	142.5	93%	0.927	79%	0.786	S	S	*	*				-156.2	166.2	105.4	-107.9	157	0	0	0	110.4
546	S	24	Very low	27.5	Very low	104 Å²	104	141.6 Å²	141.6	73%	0.727	79%	0.786	S	S	*	*			trans	-127.2	124.8	-156.2	-63.6	0	0	0	0	113.6
547	N	27.5	Very low	27.2	Very low	164 Å²	164	138.1 Å²	138.1	88%	0.877	78%	0.783	S	S	*	*			trans	59.7	167.5	148.8	-95	16.8	0	0	0	119.2
548	P	39.8	Very low	27.2	Very low	123 Å²	123	142.7 Å²	142.7	80%	0.799	80%	0.798	S	S	*	*			trans	-98.7	157.6	-162.1	37.5	-35.6	0	0	0	114.9
549	G	24.9	Very low	26.9	Very low	72 Å²	72	144.4 Å²	144.4	74%	0.742	80%	0.801	S	S	*	*			trans	-163.5	110.9	169.3	0	0	0	0	0	113.7
550	N	26.9	Very low	26.7	Very low	161 Å²	161	140.8 Å²	140.8	86%	0.861	80%	0.798	S	S	*	*			trans	29.7	113.8	150.2	-63.3	-2.2	0	0	0	122.4
551	N	24.6	Very low	26.6	Very low	157 Å²	157	146.4 Å²	146.4	84%	0.84	81%	0.807	S	S	*	*				88.7	158.6	120.5	-152.9	19.5	0	0	0	120.7
552	V	27.9	Very low	26.5	Very low	122 Å²	122	143.8 Å²	143.8	74%	0.739	81%	0.806	S	S	*	*			trans	76.3	112.1	170.7	-164.6	0	0	0	0	118.3
553	N	25.8	Very low	26.9	Very low	123 Å²	123	140.8 Å²	140.8	66%	0.658	81%	0.807	S	S	*	*			trans	-53.6	145.4	168	175.6	32.7	0	0	0	115.2
554	Y	25.2	Very low	26.9	Very low	221 Å²	221	138.6 Å²	138.6	87%	0.867	81%	0.812	S	S	*	*			trans	-154.5	139.2	142.1	-119	-78.9	0	0	0	111.7
555	N	23.4	Very low	26.8	Very low	141 Å²	141	138.5 Å²	138.5	75%	0.754	82%	0.816	S	S	*	*			trans	-89.9	142.6	170.9	-78.9	-36.3	0	0	0	110.8
556	A	24.7	Very low	27	Very low	103 Å²	103	139 Å²	139	85%	0.851	81%	0.814	S	S	*	*			trans	-147.5	110.6	160.4	0	0	0	0	0	109.8
557	S	27.6	Very low	27	Very low	115 Å²	115	142.9 Å²	142.9	80%	0.804	82%	0.818	S	S	*	*			trans	-80.3	147.1	172.9	-55.9	0	0	0	0	110.6
558	Q	29.8	Very low	26.7	Very low	199 Å²	199	144.9 Å²	144.9	93%	0.93	81%	0.814	S	S	*	*			trans	-153.6	136.4	145.5	-115.4	160.2	18.8	0	0	111.8
559	Q	26.3	Very low	25.9	Very low	182 Å²	182	146 Å²	146	85%	0.85	81%	0.809	S	S	*	*			trans	-95.5	152.8	174.7	-61.2	162.6	-67.1	0	0	109.6
560	C	24.2	Very low	25.8	Very low	117 Å²	117	149.3 Å²	149.3	79%	0.791	82%	0.815	S	S	*	*			trans	-165.9	109.6	135.7	-94.2	0	0	0	0	106.1
561	Q	25.7	Very low	25.6	Very low	183 Å²	183	147.4 Å²	147.4	86%	0.855	81%	0.814	S	S	*	*				62.4	114.8	85	-72.3	-170.2	-11.1	0	0	113.4
562	A	26.9	Very low	25.6	Very low	95 Å²	95	148.7 Å²	148.7	79%	0.785	81%	0.814	S	S	*	*			trans	-92	156.2	157.6	0	0	0	0	0	109
563	P	33.9	Very low	25.4	Very low	132 Å²	132	148.6 Å²	148.6	86%	0.857	82%	0.819	S	S	*	*				-130.4	168	110.8	37.3	-31.1	0	0	0	112.1
564	G	25	Very low	25.4	Very low	73 Å²	73	150 Å²	150	75%	0.753	83%	0.827	S	S	*	*			trans	-135.3	160.1	176.4	0	0	0	0	0	112.3
565	V	24.2	Very low	25.5	Very low	144 Å²	144	148.8 Å²	148.8	87%	0.873	83%	0.829	S	S	*	*			trans	-140	139.4	169.6	175.8	0	0	0	0	108.5
566	Q	28.9	Very low	25.5	Very low	187 Å²	187	150.6 Å²	150.6	87%	0.874	84%	0.835	S	S	*	*			trans	-120.7	144.1	162.5	-73.4	-177.1	-28.8	0	0	108.5
567	K	23.7	Very low	25.6	Very low	186 Å²	186	151.6 Å²	151.6	81%	0.809	84%	0.836	S	S	*	*			trans	-167.6	176.9	153.3	-116.9	-179.2	-178.4	-164.8	0	112.2
568	Y	21.9	Very low	25.4	Very low	206 Å²	206	149.7 Å²	149.7	81%	0.808	83%	0.834	S	S	*	*			trans	73.7	136.7	-165.9	-66.7	-80.1	0	0	0	115.7
569	E	23.1	Very low	25.2	Very low	147 Å²	147	147.4 Å²	147.4	69%	0.687	83%	0.834	S	S	*	*			cis	-173.9	156.3	-44.6	-112	166.4	-161.8	0	0	106.8
570	V	21.7	Very low	25.1	Very low	142 Å²	142	147.8 Å²	147.8	86%	0.861	83%	0.833	S	S	*	*			trans	-141.6	130.5	173.6	177.6	0	0	0	0	108.2
571	S	23.4	Very low	25.1	Very low	120 Å²	120	146 Å²	146	84%	0.839	83%	0.826	S	S	*	*			trans	-92.9	150.8	179.9	-51.9	0	0	0	0	112.5
572	E	23.3	Very low	25	Very low	184 Å²	184	145.4 Å²	145.4	86%	0.86	82%	0.824	S	S	*	*			trans	-87.3	168.6	-179	-60.1	171.2	120.7	0	0	112.8
573	S	24.3	Very low	25.1	Very low	120 Å²	120	144.5 Å²	144.5	84%	0.839	81%	0.811	S	S	*	*			trans	-161.3	139.7	154.3	-74.5	0	0	0	0	109.5
574	D	26.5	Very low	24.8	Very low	152 Å²	152	145.7 Å²	145.7	81%	0.813	81%	0.805	S	S	*	*			trans	-81.5	165.6	-165.4	-46.3	-99.6	0	0	0	115.3
575	Q	27.7	Very low	24.8	Very low	196 Å²	196	147.9 Å²	147.9	92%	0.916	80%	0.8	S	S	*	*				-168.1	142.6	101.4	-102.1	-179.6	37.3	0	0	117
576	M	22.6	Very low	24.7	Very low	179 Å²	179	149.4 Å²	149.4	88%	0.882	80%	0.795	S	S	*	*			trans	-41.7	138.3	174.9	-149.9	71.4	144.3	0	0	117.6
577	S	27.3	Very low	24.6	Very low	124 Å²	124	147.4 Å²	147.4	87%	0.867	79%	0.789	S	S	*	*				-178.2	149.6	121.8	43.8	0	0	0	0	110.8
578	G	23.5	Very low	25.2	Very low	75 Å²	75	144.4 Å²	144.4	77%	0.773	79%	0.788	S	S	*	*			trans	-155.7	159.9	-177.9	0	0	0	0	0	113.5
579	V	24.5	Very low	25.3	Very low	152 Å²	152	137.6 Å²	137.6	92%	0.921	78%	0.781	S	S	*	*			trans	-137.1	145.4	171.9	-179.4	0	0	0	0	107.9
580	K	24.3	Very low	25.4	Very low	189 Å²	189	136.6 Å²	136.6	82%	0.822	79%	0.79	S	S	*	*			trans	-86.1	171.6	-175.2	-70.9	-175.7	171.3	-173.8	0	113.6
581	A	24.4	Very low	25.7	Very low	80 Å²	80	136.7 Å²	136.7	66%	0.661	79%	0.791	S	S	*	*			trans	79.3	142	145	0	0	0	0	0	118.9
582	E	24.3	Very low	25.8	Very low	171 Å²	171	134 Å²	134	80%	0.799	78%	0.783	S	S	*	*			cis	-170.7	172.9	-25.4	-130.5	72.4	-86.1	0	0	105.4
583	S	27.9	Very low	26	Very low	75 Å²	75	134.2 Å²	134.2	52%	0.524	78%	0.784	S	S	.	*			cis	-153.9	174.1	-3	63.4	0	0	0	0	109.3
584	Q	28.7	Very low	25.9	Very low	157 Å²	157	132.5 Å²	132.5	73%	0.734	78%	0.777	S	S	*	*			trans	67.5	150.4	149.6	-72.8	169.3	-92.6	0	0	119.8
585	D	23.9	Very low	25.7	Very low	119 Å²	119	131.5 Å²	131.5	64%	0.636	78%	0.78	S	S	*	*			cis	-147.6	177.5	2	-122.1	-30.9	0	0	0	114.6
586	F	22.4	Very low	25.6	Very low	177 Å²	177	130 Å²	130	78%	0.776	78%	0.778	S	S	*	*			trans	-56.4	153	-174.3	-79.5	-115.7	0	0	0	115.6
587	I	26.6	Very low	26.5	Very low	145 Å²	145	126.9 Å²	126.9	74%	0.744	77%	0.77	S	S	*	*				67.5	142.6	50.2	-60.1	-67.9	0	0	0	111.6
588	P	36.6	Very low	26.5	Very low	122 Å²	122	127.6 Å²	127.6	79%	0.792	76%	0.764	S	S	*	*			cis	-119.5	-169.2	9	22.3	3.4	0	0	0	113.8
589	G	24.3	Very low	26.5	Very low	63 Å²	63	129.4 Å²	129.4	65%	0.649	76%	0.76	S	S	*	*			cis	139.7	164.3	-5.8	0	0	0	0	0	113.6
590	S	25.6	Very low	26.5	Very low	127 Å²	127	129.1 Å²	129.1	89%	0.888	75%	0.753	S	S	*	*			trans	66.8	153.3	175	-52.4	0	0	0	0	116.4
591	T	27.2	Very low	26.6	Very low	143 Å²	143	126.7 Å²	126.7	88%	0.877	75%	0.748	S	S	*	*			cis	-122.2	176.5	-2.3	50.4	0	0	0	0	108.8
592	G	26.7	Very low	26.5	Very low	64 Å²	64	130.6 Å²	130.6	66%	0.66	75%	0.753	S	S	*	*			cis	140.8	111.8	3.7	0	0	0	0	0	110.7
593	Q	25.8	Very low	26.6	Very low	189 Å²	189	127.4 Å²	127.4	88%	0.883	75%	0.75	S	S	*	*			trans	63.1	119.2	145.3	-119.4	152.3	-13.2	0	0	118.9
594	A	22.8	Very low	26.5	Very low	84 Å²	84	131 Å²	131	69%	0.694	76%	0.758	S	S	*	*				58.2	127.3	66.4	0	0	0	0	0	112.8
595	C	22.2	Very low	26.4	Very low	130 Å²	130	131.4 Å²	131.4	88%	0.878	76%	0.76	S	S	*	*			cis	-147.9	-179.1	32.5	-87.1	0	0	0	0	115.8
596	L	25	Very low	26.6	Very low	166 Å²	166	131.4 Å²	131.4	87%	0.869	77%	0.769	S	S	*	*			trans	-71	-178.9	165.4	-65.8	166.6	0	0	0	112.6
597	P	42.9	Very low	26.7	Very low	112 Å²	112	130.2 Å²	130.2	73%	0.727	77%	0.771	S	S	*	*			cis	-126.7	-142.9	8.2	30.8	-3.9	0	0	0	112.8
598	N	26.1	Very low	27.3	Very low	139 Å²	139	128.2 Å²	128.2	74%	0.743	77%	0.767	S	S	*	*			cis	-162.6	-175.7	8.8	-150.2	1.8	0	0	0	114.9
599	V	25	Very low	26.6	Very low	113 Å²	113	132 Å²	132	69%	0.685	77%	0.771	S	S	*	*			trans	-10.2	147.8	150.1	163.2	0	0	0	0	117.6
600	L	23.8	Very low	26.5	Very low	146 Å²	146	133.5 Å²	133.5	76%	0.764	77%	0.772	S	S	*	*			cis	-131.7	-179.2	24.5	-153.5	58.6	0	0	0	109.1
601	L	25.5	Very low	26.6	Very low	139 Å²	139	131.8 Å²	131.8	73%	0.728	76%	0.76	S	S	*	*			cis	73.5	143.5	21.7	-91.8	69.7	0	0	0	115
602	E	23.6	Very low	26.6	Very low	161 Å²	161	136.5 Å²	136.5	75%	0.752	76%	0.764	S	S	*	*			cis	-146.4	156.8	-3.8	-92.7	-159	135.7	0	0	113
603	S	25.1	Very low	26.7	Very low	105 Å²	105	138.8 Å²	138.8	73%	0.734	77%	0.769	S	S	*	*			trans	63.9	156.7	142.4	72.7	0	0	0	0	121.4
604	E	25.9	Very low	26.8	Very low	150 Å²	150	138.4 Å²	138.4	70%	0.701	77%	0.768	S	S	*	*			cis	-160.7	160.8	-7.2	-111.7	-97.6	110.5	0	0	109
605	Q	27.9	Very low	27	Very low	166 Å²	166	141.9 Å²	141.9	78%	0.776	77%	0.774	S	S	*	*			trans	64.3	146.7	161	-65.6	162.7	39.8	0	0	119
606	S	27.8	Very low	27.5	Very low	118 Å²	118	144 Å²	144	83%	0.825	77%	0.772	S	S	*	*			cis	-151.2	168.7	-3.7	52.2	0	0	0	0	112.5
607	N	25.2	Very low	27.8	Very low	153 Å²	153	143.5 Å²	143.5	82%	0.818	77%	0.765	S	S	*	*			trans	-80.1	165.7	-179.6	-100.7	-55.8	0	0	0	112.7
608	P	37.9	Very low	27.4	Very low	103 Å²	103	145.6 Å²	145.6	67%	0.669	76%	0.762	S	S	*	*			cis	-148.2	-178.9	35.2	43.3	-23.2	0	0	0	119.2
609	F	23	Very low	27.7	Very low	200 Å²	200	146.2 Å²	146.2	88%	0.877	77%	0.766	S	S	*	*			trans	60.2	116	167.1	-80.6	-84.1	0	0	0	117
610	S	21.7	Very low	28.1	Very low	95 Å²	95	148.3 Å²	148.3	66%	0.664	77%	0.773	S	S	*	*			cis	-176.4	150.8	47.1	179.9	0	0	0	0	112.6
611	S	27.2	Very low	29.2	Very low	91 Å²	91	145 Å²	145	64%	0.636	76%	0.759	S	S	*	*			trans	44.4	99.1	149.3	61.5	0	0	0	0	120.8
612	Y	27.8	Very low	30	Very low	243 Å²	243	147 Å²	147	95%	0.953	76%	0.762	S	S	*	*				-141.4	145.9	124.7	-97.1	-73.5	0	0	0	109.7
613	S	27.9	Very low	32	Very low	111 Å²	111	143.4 Å²	143.4	78%	0.776	75%	0.748	S	S	*	*			trans	-92	133.1	-161.7	-54.2	0	0	0	0	114.4
614	E	29.2	Very low	34.1	Very low	181 Å²	181	143.7 Å²	143.7	85%	0.846	73%	0.733	S	S	*	*			trans	-57.8	152.4	158.3	-61	-176.4	117.4	0	0	111.5
615	N	27	Very low	36	Very low	157 Å²	157	144.6 Å²	144.6	84%	0.84	73%	0.73	S	S	*	*			trans	-152.5	72.4	157.6	-106.3	-65.5	0	0	0	111.5
616	Q	32.3	Very low	38.2	Very low	176 Å²	176	136.8 Å²	136.8	82%	0.822	69%	0.694	S	S	*	*			trans	-117.2	51.8	173.2	-157.6	-176.9	12.2	0	0	112.2	K618	Q616-K618 VanDerWaalsContact O-CE 3.26Å; Q616-K618 WeakPolarHBondContact O-CE 3.25Å
617	E	31.6	Very low	40.1	Very low	154 Å²	154	136 Å²	136	72%	0.72	69%	0.688	S	S	*	*			trans	-129.3	148.4	175.8	-69.7	-125.1	132.4	0	0	111.9
618	K	34.1	Very low	42.2	Very low	156 Å²	156	133.1 Å²	133.1	68%	0.678	68%	0.676	S	S	*	*			cis	-169.7	168.9	-36	-115.2	160	-134.6	160.4	0	105.7	Q616 D620	Q616-K618 VanDerWaalsContact O-CE 3.26Å; Q616-K618 WeakPolarHBondContact O-CE 3.25Å; K618-D620 PolarHBondContact O-N 2.88Å
619	N	32.8	Very low	44	Very low	153 Å²	153	130.4 Å²	130.4	82%	0.818	66%	0.659	S	S	*	*			trans	-71.4	102.9	-179.6	-79.8	-81.1	0	0	0	111.7	V621	N619-V621 HydrophobicContact CB-CG2 4.4Å; N619-V621 PolarHBondContact O-N 3.43Å
620	D	33.3	Very low	46.1	Very low	157 Å²	157	123.2 Å²	123.2	84%	0.84	64%	0.636	S	S	*	*			trans	-75.7	67.5	179.4	-151.4	11.8	0	0	0	111.7	K618	K618-D620 PolarHBondContact O-N 2.88Å
621	V	46.7	Very low	48.4	Very low	76 Å²	76	125 Å²	125	46%	0.461	63%	0.632	S	S	.	*			trans	-64.6	129.4	174.9	174.8	0	0	0	0	108.7	N619 L623	N619-V621 HydrophobicContact CB-CG2 4.4Å; N619-V621 PolarHBondContact O-N 3.43Å; V621-L623 WeakPolarHBondContact O-CG 3.41Å; V621-L623 PolarHBondContact O-N 3.15Å
622	F	42.3	Very low	50.3	Low	180 Å²	180	123.5 Å²	123.5	79%	0.789	62%	0.622	S	S	*	*			trans	-52.9	97.5	177.6	-67.7	-84.1	0	0	0	112.8
623	L	64.9	Low	52.6	Low	87 Å²	87	113.9 Å²	113.9	46%	0.455	59%	0.585	S	S	.	*			trans	-85	121.7	-179.1	-76.8	168.4	0	0	0	111	V621 R625 R634	V621-L623 WeakPolarHBondContact O-CG 3.41Å; V621-L623 PolarHBondContact O-N 3.15Å; L623-R625 PolarHBondContact O-N 3.1Å; L623-R634 HydrophobicContact CD2-CG 3.95Å
624	Y	69.1	Low	54.6	Low	110 Å²	110	118.4 Å²	118.4	43%	0.431	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.6	103.9	173.8	-65.5	-92.7	0	0	0	108.6	F633 P636	Y624-F633 PolarHBondContact N-O 2.99Å; Y624-F633 PolarHBondContact O-N 2.61Å; Y624-P636 HydrophobicContact CD1-CG 4.1Å; Y624-P636 HydrophobicContact CD2-CG 4.39Å; Y624-P636 HydrophobicContact CE1-CG 3.7Å; Y624-P636 HydrophobicContact CE2-CG 4.03Å; Y624-P636 HydrophobicContact CG-CG 4.43Å
625	R	67.4	Low	56.5	Low	169 Å²	169	111.6 Å²	111.6	64%	0.638	56%	0.557	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.2	138.4	-175.8	-156.7	176.3	-171.5	-179.7	0.1	112.1	L623 A630 L639	L623-R625 PolarHBondContact O-N 3.1Å; R625-A630 WeakPolarHBondContact CG-O 2.94Å; R625-A630 PolarHBondContact NE-O 3.12Å; R625-L639 WeakPolarHBondContact O-CD2 3.06Å
626	C	72.6	Confident	58.3	Low	3 Å²	3	107 Å²	107	2%	0.02	54%	0.536	C	S	.	.			trans	-75.4	127.5	170.5	-176.8	0	0	0	0	110.7	V628 C629 A630 K631 F633 L639 Y643	C626-V628 VanDerWaalsContact C-N 3.31Å; C626-V628 PolarHBondContact O-N 2.82Å; C626-C629 VanDerWaalsContact SG-SG 3.62Å; C626-A630 WeakPolarHBondContact O-CA 3.38Å; C626-A630 PolarHBondContact O-N 3.32Å; C626-K631 WeakPolarHBondContact CB-O 3.37Å; C626-K631 PolarHBondContact N-O 2.78Å; C626-F633 HydrophobicContact CB-CE2 4.35Å; C626-L639 HydrophobicContact CB-CD1 3.67Å; C626-Y643 HydrophobicContact CB-CE1 4.49Å; C626-Y643 WeakPolarHBondContact SG-CE1 3.23Å
627	S	68.3	Low	60.1	Low	100 Å²	100	102.6 Å²	102.6	70%	0.699	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-24.9	176.9	54.2	0	0	0	0	113.9	Y643	S627-Y643 PolarHBondContact N-OH 3.41Å; S627-Y643 PolarHBondContact OG-OH 3.29Å
628	V	68.4	Low	62.1	Low	94 Å²	94	100.7 Å²	100.7	57%	0.57	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-34.1	-173.2	-176.6	0	0	0	0	112.6	C626 Y643 H646	C626-V628 VanDerWaalsContact C-N 3.31Å; C626-V628 PolarHBondContact O-N 2.82Å; V628-Y643 HydrophobicContact CG2-CE1 4.29Å; V628-H646 HydrophobicContact CG1-CB 4.33Å
629	C	76.7	Confident	64.1	Low	46 Å²	46	94.1 Å²	94.1	31%	0.311	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.1	17.5	-175.5	70.8	0	0	0	0	114.2	C626 K631 H642 H646	C626-C629 VanDerWaalsContact SG-SG 3.62Å; C629-K631 PolarHBondContact O-N 3.34Å; C629-H642 PolarHBondContact SG-NE2 3.18Å; C629-H646 VanDerWaalsContact SG-CE1 3.55Å; C629-H646 PolarHBondContact SG-NE2 3.07Å
630	A	66.6	Low	65.8	Low	48 Å²	48	93.4 Å²	93.4	40%	0.397	48%	0.478	S	S	.	.			trans	59.2	-3.1	177.5	0	0	0	0	0	117.6	R625 C626	R625-A630 WeakPolarHBondContact CG-O 2.94Å; R625-A630 PolarHBondContact NE-O 3.12Å; C626-A630 WeakPolarHBondContact O-CA 3.38Å; C626-A630 PolarHBondContact O-N 3.32Å
631	K	70.7	Confident	67.7	Low	132 Å²	132	91.1 Å²	91.1	57%	0.574	46%	0.458	S	S	*	.			trans	-64.6	139.3	-177.4	-67.9	-173.5	180	-172.7	0	112.4	C626 C629 F633	C626-K631 WeakPolarHBondContact CB-O 3.37Å; C626-K631 PolarHBondContact N-O 2.78Å; C629-K631 PolarHBondContact O-N 3.34Å; K631-F633 HydrophobicContact CB-CE2 3.88Å; K631-F633 HydrophobicContact CB-CZ 4.08Å; K631-F633 WeakPolarHBondContact O-CD2 3.28Å; K631-F633 WeakPolarHBondContact O-CE2 3.28Å
632	S	67.6	Low	69.1	Low	60 Å²	60	88.6 Å²	88.6	42%	0.42	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	132.9	-169.6	-74.1	0	0	0	0	112.7
633	F	74.7	Confident	70.4	Confident	42 Å²	42	83.6 Å²	83.6	18%	0.184	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.6	-174.3	-61.5	-87.5	0	0	0	112.7	Y624 C626 K631 S635 K638 L639 H642	Y624-F633 PolarHBondContact N-O 2.99Å; Y624-F633 PolarHBondContact O-N 2.61Å; C626-F633 HydrophobicContact CB-CE2 4.35Å; K631-F633 HydrophobicContact CB-CE2 3.88Å; K631-F633 HydrophobicContact CB-CZ 4.08Å; K631-F633 WeakPolarHBondContact O-CD2 3.28Å; K631-F633 WeakPolarHBondContact O-CE2 3.28Å; F633-S635 PolarHBondContact O-N 2.81Å; F633-S635 VanDerWaalsContact O-N 3.08Å; F633-K638 HydrophobicContact CB-CB 4.17Å; F633-K638 HydrophobicContact CD1-CB 4.03Å; F633-K638 HydrophobicContact CG-CB 4.42Å; F633-L639 HydrophobicContact CB-CB 4.15Å; F633-L639 HydrophobicContact CD2-CB 3.98Å; F633-L639 HydrophobicContact CD2-CD1 3.72Å; F633-L639 HydrophobicContact CD2-CG 4.44Å; F633-L639 HydrophobicContact CE2-CD1 3.98Å; F633-L639 HydrophobicContact CG-CB 4.22Å; F633-H642 HydrophobicContact CE1-CB 4.1Å; F633-H642 HydrophobicContact CE2-CB 3.96Å; F633-H642 AromaticContact CE2-CD2 3.49Å; F633-H642 VanDerWaalsContact CE2-CD2 3.49Å; F633-H642 WeakPolarHBondContact CE2-CD2 3.2Å; F633-H642 AromaticContact CE2-CG 3.67Å; F633-H642 HydrophobicContact CZ-CB 3.61Å; F633-H642 AromaticContact CZ-CD2 3.55Å; F633-H642 AromaticContact CZ-CG 3.28Å; F633-H642 AromaticContact CZ-ND1 3.62Å
634	R	69.9	Low	70.7	Confident	206 Å²	206	81.7 Å²	81.7	78%	0.777	41%	0.407	S	S	*	.	S	Bend	trans	-70.2	3.1	178.1	-62.2	-175.8	-176.9	169.8	1.8	115	L623	L623-R634 HydrophobicContact CD2-CG 3.95Å
635	S	69.8	Low	70.5	Confident	37 Å²	37	80.4 Å²	80.4	26%	0.259	41%	0.407	S	S	.	.	S	Bend	trans	-160.9	153.3	173.2	66.4	0	0	0	0	114	F633 S637 K638 L639	F633-S635 PolarHBondContact O-N 2.81Å; F633-S635 VanDerWaalsContact O-N 3.08Å; S635-S637 PolarHBondContact O-N 3.42Å; S635-K638 PolarHBondContact O-N 2.96Å; S635-K638 VanDerWaalsContact O-N 3.15Å; S635-K638 WeakPolarHBondContact OG-CG 3.09Å; S635-L639 PolarHBondContact O-N 3.25Å
636	P	63.8	Low	70.6	Confident	62 Å²	62	75.9 Å²	75.9	40%	0.403	39%	0.393	S	S	.	.	H	α-helix	trans	-57	-46.3	179	-23.3	32.1	0	0	0	112.7	Y624 K638 L639 E640	Y624-P636 HydrophobicContact CD1-CG 4.1Å; Y624-P636 HydrophobicContact CD2-CG 4.39Å; Y624-P636 HydrophobicContact CE1-CG 3.7Å; Y624-P636 HydrophobicContact CE2-CG 4.03Å; Y624-P636 HydrophobicContact CG-CG 4.43Å; P636-K638 PolarHBondContact O-N 2.78Å; P636-K638 VanDerWaalsContact O-N 3.11Å; P636-L639 CarbonylContact O-C 3.06Å; P636-L639 PolarHBondContact O-N 3.41Å; P636-E640 WeakPolarHBondContact O-CB 3.38Å; P636-E640 PolarHBondContact O-N 2.96Å
637	S	71.8	Confident	70.4	Confident	83 Å²	83	78.7 Å²	78.7	58%	0.58	42%	0.416	S	S	*	.	H	α-helix	trans	-70.6	-6.1	-177.9	-39.5	0	0	0	0	114.5	S635	S635-S637 PolarHBondContact O-N 3.42Å
638	K	73.9	Confident	70.2	Confident	114 Å²	114	75.7 Å²	75.7	50%	0.496	40%	0.402	S	S	.	.	H	α-helix	trans	-90.8	-42.1	165.8	-74.8	-179.9	177.8	-176.1	0	110.6	F633 S635 P636 H642	F633-K638 HydrophobicContact CB-CB 4.17Å; F633-K638 HydrophobicContact CD1-CB 4.03Å; F633-K638 HydrophobicContact CG-CB 4.42Å; S635-K638 PolarHBondContact O-N 2.96Å; S635-K638 VanDerWaalsContact O-N 3.15Å; S635-K638 WeakPolarHBondContact OG-CG 3.09Å; P636-K638 PolarHBondContact O-N 2.78Å; P636-K638 VanDerWaalsContact O-N 3.11Å; K638-H642 WeakPolarHBondContact O-CB 2.96Å; K638-H642 PolarHBondContact O-N 3.29Å; K638-H642 VanDerWaalsContact O-N 3.09Å
639	L	75.1	Confident	70	Confident	18 Å²	18	76.7 Å²	76.7	9%	0.094	40%	0.4	C	S	.	.	H	α-helix	trans	-64.1	-44.2	174.3	174.2	60.2	0	0	0	112.7	R625 C626 F633 S635 P636 R641 H642 Y643	R625-L639 WeakPolarHBondContact O-CD2 3.06Å; C626-L639 HydrophobicContact CB-CD1 3.67Å; F633-L639 HydrophobicContact CB-CB 4.15Å; F633-L639 HydrophobicContact CD2-CB 3.98Å; F633-L639 HydrophobicContact CD2-CD1 3.72Å; F633-L639 HydrophobicContact CD2-CG 4.44Å; F633-L639 HydrophobicContact CE2-CD1 3.98Å; F633-L639 HydrophobicContact CG-CB 4.22Å; S635-L639 PolarHBondContact O-N 3.25Å; P636-L639 CarbonylContact O-C 3.06Å; P636-L639 PolarHBondContact O-N 3.41Å; L639-R641 VanDerWaalsContact C-N 3.34Å; L639-R641 PolarHBondContact O-N 2.92Å; L639-H642 CarbonylContact O-C 3.52Å; L639-H642 WeakPolarHBondContact O-CA 3.39Å; L639-H642 VanDerWaalsContact O-CB 3.29Å; L639-H642 WeakPolarHBondContact O-CB 3.48Å; L639-H642 PolarHBondContact O-N 3.05Å; L639-Y643 HydrophobicContact CD1-CD2 4.08Å; L639-Y643 HydrophobicContact CD1-CE1 4.5Å; L639-Y643 HydrophobicContact CD1-CE2 3.61Å; L639-Y643 HydrophobicContact CD2-CE2 3.79Å; L639-Y643 HydrophobicContact CG-CD2 3.96Å; L639-Y643 HydrophobicContact CG-CE2 3.5Å; L639-Y643 VanDerWaalsContact CG-CE2 3.5Å; L639-Y643 PolarHBondContact O-N 3.21Å
640	E	69.6	Low	69.7	Low	138 Å²	138	79.5 Å²	79.5	65%	0.645	41%	0.407	S	S	*	.	H	α-helix	trans	-64.9	-39.6	-178.3	-168.7	160.4	-153.8	0	0	111.8	P636 H642 Y643 L644	P636-E640 WeakPolarHBondContact O-CB 3.38Å; P636-E640 PolarHBondContact O-N 2.96Å; E640-H642 PolarHBondContact O-N 2.91Å; E640-Y643 PolarHBondContact O-N 3.21Å; E640-L644 PolarHBondContact O-N 2.82Å
641	R	72	Confident	69.8	Low	108 Å²	108	80.8 Å²	80.8	41%	0.408	41%	0.411	S	S	.	.	H	α-helix	trans	-63.9	-29.5	169.6	-159.5	-162.8	-36.9	178.7	6.3	112.9	L639 L644 Q663	L639-R641 VanDerWaalsContact C-N 3.34Å; L639-R641 PolarHBondContact O-N 2.92Å; R641-L644 WeakPolarHBondContact O-CB 3.26Å; R641-Q663 HydrophobicContact CG-CG 4.42Å
642	H	75.3	Confident	69.8	Low	24 Å²	24	77.9 Å²	77.9	11%	0.111	40%	0.399	C	S	.	.	H	α-helix	trans	-76.6	-32.1	175.2	179.2	72.5	0	0	0	112.1	C629 F633 K638 L639 E640 L644 I645 H646	C629-H642 PolarHBondContact SG-NE2 3.18Å; F633-H642 HydrophobicContact CE1-CB 4.1Å; F633-H642 HydrophobicContact CE2-CB 3.96Å; F633-H642 AromaticContact CE2-CD2 3.49Å; F633-H642 VanDerWaalsContact CE2-CD2 3.49Å; F633-H642 WeakPolarHBondContact CE2-CD2 3.2Å; F633-H642 AromaticContact CE2-CG 3.67Å; F633-H642 HydrophobicContact CZ-CB 3.61Å; F633-H642 AromaticContact CZ-CD2 3.55Å; F633-H642 AromaticContact CZ-CG 3.28Å; F633-H642 AromaticContact CZ-ND1 3.62Å; K638-H642 WeakPolarHBondContact O-CB 2.96Å; K638-H642 PolarHBondContact O-N 3.29Å; K638-H642 VanDerWaalsContact O-N 3.09Å; L639-H642 CarbonylContact O-C 3.52Å; L639-H642 WeakPolarHBondContact O-CA 3.39Å; L639-H642 VanDerWaalsContact O-CB 3.29Å; L639-H642 WeakPolarHBondContact O-CB 3.48Å; L639-H642 PolarHBondContact O-N 3.05Å; E640-H642 PolarHBondContact O-N 2.91Å; H642-L644 PolarHBondContact O-N 3.46Å; H642-I645 VanDerWaalsContact O-CB 3.25Å; H642-I645 WeakPolarHBondContact O-CB 3.48Å; H642-I645 PolarHBondContact O-N 3.18Å; H642-H646 AromaticContact CD2-CD2 3.99Å; H642-H646 AromaticContact CD2-NE2 3.6Å; H642-H646 AromaticContact CE1-NE2 3.63Å; H642-H646 AromaticContact NE2-CD2 3.8Å; H642-H646 AromaticContact NE2-CE1 3.96Å; H642-H646 AromaticContact NE2-NE2 2.97Å; H642-H646 PolarHBondContact NE2-NE2 2.82Å
643	Y	69.6	Low	69.9	Low	75 Å²	75	80.9 Å²	80.9	29%	0.294	41%	0.406	S	S	.	.	H	α-helix	trans	-63	-28.6	170.3	-74.6	-57	0	0	0	113	C626 S627 V628 L639 E640 I645 H646 A647	C626-Y643 HydrophobicContact CB-CE1 4.49Å; C626-Y643 WeakPolarHBondContact SG-CE1 3.23Å; S627-Y643 PolarHBondContact N-OH 3.41Å; S627-Y643 PolarHBondContact OG-OH 3.29Å; V628-Y643 HydrophobicContact CG2-CE1 4.29Å; L639-Y643 HydrophobicContact CD1-CD2 4.08Å; L639-Y643 HydrophobicContact CD1-CE1 4.5Å; L639-Y643 HydrophobicContact CD1-CE2 3.61Å; L639-Y643 HydrophobicContact CD2-CE2 3.79Å; L639-Y643 HydrophobicContact CG-CD2 3.96Å; L639-Y643 HydrophobicContact CG-CE2 3.5Å; L639-Y643 VanDerWaalsContact CG-CE2 3.5Å; L639-Y643 PolarHBondContact O-N 3.21Å; E640-Y643 PolarHBondContact O-N 3.21Å; Y643-I645 PolarHBondContact O-N 3.18Å; Y643-H646 PolarHBondContact O-N 2.84Å; Y643-A647 WeakPolarHBondContact O-CB 3.3Å; Y643-A647 PolarHBondContact O-N 2.98Å
644	L	71.7	Confident	69.8	Low	47 Å²	47	78.9 Å²	78.9	25%	0.246	40%	0.397	C	S	.	.	H	α-helix	trans	-63.8	-16.8	170.3	-58	176.5	0	0	0	113.7	E640 R641 H642 G648 Q649 P651 R662	E640-L644 PolarHBondContact O-N 2.82Å; R641-L644 WeakPolarHBondContact O-CB 3.26Å; H642-L644 PolarHBondContact O-N 3.46Å; L644-G648 CarbonylContact O-C 3.34Å; L644-Q649 HydrophobicContact CD2-CB 3.89Å; L644-Q649 PolarHBondContact O-N 3.14Å; L644-P651 HydrophobicContact CD1-CG 4.18Å; L644-P651 HydrophobicContact CD2-CG 4.35Å; L644-R662 PolarHBondContact O-NE 3.41Å
645	I	65.2	Low	69.7	Low	83 Å²	83	74.2 Å²	74.2	43%	0.426	40%	0.397	S	S	.	.	H	α-helix	trans	-75.3	-48.3	172.3	-57.2	-179.3	0	0	0	109.7	H642 Y643 G648 R662	H642-I645 VanDerWaalsContact O-CB 3.25Å; H642-I645 WeakPolarHBondContact O-CB 3.48Å; H642-I645 PolarHBondContact O-N 3.18Å; Y643-I645 PolarHBondContact O-N 3.18Å; I645-G648 PolarHBondContact O-N 3.23Å; I645-R662 PolarHBondContact O-NH2 3.08Å
646	H	70.5	Confident	69.6	Low	73 Å²	73	77.1 Å²	77.1	34%	0.338	41%	0.413	S	S	.	.	H	α-helix	trans	-66.8	-41.2	178.4	-62.9	-63.1	0	0	0	112.8	V628 C629 H642 Y643 G648	V628-H646 HydrophobicContact CG1-CB 4.33Å; C629-H646 VanDerWaalsContact SG-CE1 3.55Å; C629-H646 PolarHBondContact SG-NE2 3.07Å; H642-H646 AromaticContact CD2-CD2 3.99Å; H642-H646 AromaticContact CD2-NE2 3.6Å; H642-H646 AromaticContact CE1-NE2 3.63Å; H642-H646 AromaticContact NE2-CD2 3.8Å; H642-H646 AromaticContact NE2-CE1 3.96Å; H642-H646 AromaticContact NE2-NE2 2.97Å; H642-H646 PolarHBondContact NE2-NE2 2.82Å; Y643-H646 PolarHBondContact O-N 2.84Å; H646-G648 PolarHBondContact O-N 3.15Å
647	A	67.1	Low	70	Confident	62 Å²	62	76.7 Å²	76.7	51%	0.512	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	2.2	179.4	0	0	0	0	0	113.8	Y643 Q649	Y643-A647 WeakPolarHBondContact O-CB 3.3Å; Y643-A647 PolarHBondContact O-N 2.98Å; A647-Q649 HydrophobicContact CB-CB 4.49Å; A647-Q649 HydrophobicContact CB-CG 3.91Å; A647-Q649 WeakPolarHBondContact O-CG 3.2Å; A647-Q649 PolarHBondContact O-N 3.05Å
648	G	64.2	Low	69.9	Low	38 Å²	38	74.7 Å²	74.7	39%	0.392	40%	0.402	S	S	.	.			trans	73.2	-39.2	-173.5	0	0	0	0	0	114.4	L644 I645 H646 R662	L644-G648 CarbonylContact O-C 3.34Å; I645-G648 PolarHBondContact O-N 3.23Å; H646-G648 PolarHBondContact O-N 3.15Å; G648-R662 PolarHBondContact O-NE 3.01Å; G648-R662 PolarHBondContact O-NH2 3.07Å
649	Q	63.9	Low	69.9	Low	115 Å²	115	75.2 Å²	75.2	54%	0.537	41%	0.405	S	S	.	.			trans	-34.2	131.7	-170.9	-65	-58	-35	0	0	116	L644 A647 R662	L644-Q649 HydrophobicContact CD2-CB 3.89Å; L644-Q649 PolarHBondContact O-N 3.14Å; A647-Q649 HydrophobicContact CB-CB 4.49Å; A647-Q649 HydrophobicContact CB-CG 3.91Å; A647-Q649 WeakPolarHBondContact O-CG 3.2Å; A647-Q649 PolarHBondContact O-N 3.05Å; Q649-R662 WeakPolarHBondContact O-CG 3.36Å
650	K	70.4	Confident	69.7	Low	104 Å²	104	76.8 Å²	76.8	45%	0.452	42%	0.415	S	S	.	.			trans	-130.4	77.7	179.6	-71.1	168.3	162.2	-165.5	0	110	F652 T660 F661 R662	K650-F652 PolarHBondContact O-N 3.31Å; K650-T660 WeakPolarHBondContact CD-O 3.36Å; K650-T660 VanDerWaalsContact CD-OG1 3.3Å; K650-T660 WeakPolarHBondContact CD-OG1 3.33Å; K650-F661 CarbonylContact C-O 3.49Å; K650-F661 WeakPolarHBondContact CA-O 3.47Å; K650-R662 HydrophobicContact CB-CG 4.49Å; K650-R662 HydrophobicContact CG-CG 3.77Å
651	P	68.5	Low	69.9	Low	75 Å²	75	72.5 Å²	72.5	49%	0.487	40%	0.395	S	S	.	.			trans	-71.1	2.5	-164.1	-20.7	34.5	0	0	0	117	L644	L644-P651 HydrophobicContact CD1-CG 4.18Å; L644-P651 HydrophobicContact CD2-CG 4.35Å
652	F	70.9	Confident	69.6	Low	72 Å²	72	71.6 Å²	71.6	32%	0.316	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	98.4	-175.5	-56.4	-80	0	0	0	109.9	K650 F661 A664 W667	K650-F652 PolarHBondContact O-N 3.31Å; F652-F661 HydrophobicContact CB-CB 4.34Å; F652-F661 PolarHBondContact N-O 3.14Å; F652-F661 PolarHBondContact O-N 2.95Å; F652-A664 HydrophobicContact CD1-CB 4.05Å; F652-A664 HydrophobicContact CE1-CB 3.71Å; F652-A664 HydrophobicContact CE2-CB 4.23Å; F652-A664 HydrophobicContact CG-CB 4.46Å; F652-A664 HydrophobicContact CZ-CB 3.81Å; F652-W667 HydrophobicContact CB-CB 3.67Å; F652-W667 HydrophobicContact CB-CD2 4.24Å; F652-W667 HydrophobicContact CB-CG 3.66Å; F652-W667 HydrophobicContact CG-CB 4.44Å
653	E	69.3	Low	69.2	Low	122 Å²	122	73 Å²	73	57%	0.57	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	138.4	-179.3	-170.7	168.6	163.5	0	0	112	T660 W667	E653-T660 HydrophobicContact CB-CG2 3.89Å; E653-T660 HydrophobicContact CG-CG2 3.72Å; E653-W667 PolarHBondContact O-NE1 2.74Å
654	C	73.4	Confident	69.2	Low	0 Å²	0	71.1 Å²	71.1	0%	0	40%	0.398	C	S	.	.			trans	-85.2	110.2	173	-167.8	0	0	0	0	110.7	V656 C657 G658 K659 H674	C654-V656 PolarHBondContact O-N 2.98Å; C654-C657 PolarHBondContact O-N 2.92Å; C654-C657 VanDerWaalsContact O-N 3.15Å; C654-G658 PolarHBondContact O-N 3.26Å; C654-K659 WeakPolarHBondContact CB-O 3.34Å; C654-K659 PolarHBondContact N-O 3.03Å; C654-H674 VanDerWaalsContact SG-CD2 3.56Å; C654-H674 PolarHBondContact SG-NE2 3.39Å
655	S	68.4	Low	69.1	Low	109 Å²	109	73 Å²	73	76%	0.762	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-9.1	179.3	56.3	0	0	0	0	115.5
656	V	66.5	Low	69.6	Low	98 Å²	98	73.3 Å²	73.3	59%	0.594	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-23.2	179.9	-173.5	0	0	0	0	112	C654 H674	C654-V656 PolarHBondContact O-N 2.98Å; V656-H674 HydrophobicContact CG1-CB 4.28Å
657	C	73.4	Confident	70	Confident	53 Å²	53	72.5 Å²	72.5	36%	0.358	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.7	16.4	-174	69.7	0	0	0	0	115.8	C654 K659 H670 H674	C654-C657 PolarHBondContact O-N 2.92Å; C654-C657 VanDerWaalsContact O-N 3.15Å; C657-K659 PolarHBondContact O-N 3.3Å; C657-H670 PolarHBondContact SG-NE2 2.86Å; C657-H674 PolarHBondContact SG-CE1 3.24Å; C657-H674 PolarHBondContact SG-NE2 3.29Å
658	G	68.4	Low	70.1	Confident	40 Å²	40	75.7 Å²	75.7	41%	0.412	41%	0.409	S	S	.	.			trans	65.2	-1	178.1	0	0	0	0	0	115.9	C654 T660	C654-G658 PolarHBondContact O-N 3.26Å; G658-T660 PolarHBondContact O-N 3.33Å
659	K	73.5	Confident	70.3	Confident	126 Å²	126	82.6 Å²	82.6	55%	0.548	42%	0.423	S	S	.	.			trans	-66.8	119.3	-176.8	-71.4	178	-175.1	173.5	0	110.2	C654 C657 F661	C654-K659 WeakPolarHBondContact CB-O 3.34Å; C654-K659 PolarHBondContact N-O 3.03Å; C657-K659 PolarHBondContact O-N 3.3Å; K659-F661 HydrophobicContact CB-CE2 3.71Å; K659-F661 HydrophobicContact CB-CZ 4.07Å; K659-F661 VanDerWaalsContact O-CD2 3.25Å; K659-F661 WeakPolarHBondContact O-CD2 3.48Å; K659-F661 WeakPolarHBondContact O-CE2 3.43Å
660	T	70.9	Confident	70.8	Confident	51 Å²	51	78.3 Å²	78.3	31%	0.313	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	135.3	-176.1	45.5	0	0	0	0	112.3	K650 E653 G658	K650-T660 WeakPolarHBondContact CD-O 3.36Å; K650-T660 VanDerWaalsContact CD-OG1 3.3Å; K650-T660 WeakPolarHBondContact CD-OG1 3.33Å; E653-T660 HydrophobicContact CB-CG2 3.89Å; E653-T660 HydrophobicContact CG-CG2 3.72Å; G658-T660 PolarHBondContact O-N 3.33Å
661	F	73.8	Confident	70.7	Confident	48 Å²	48	76 Å²	76	21%	0.211	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	148.4	-172.8	-63.4	-95	0	0	0	112.9	K650 F652 K659 H666 W667 H670	K650-F661 CarbonylContact C-O 3.49Å; K650-F661 WeakPolarHBondContact CA-O 3.47Å; F652-F661 HydrophobicContact CB-CB 4.34Å; F652-F661 PolarHBondContact N-O 3.14Å; F652-F661 PolarHBondContact O-N 2.95Å; K659-F661 HydrophobicContact CB-CE2 3.71Å; K659-F661 HydrophobicContact CB-CZ 4.07Å; K659-F661 VanDerWaalsContact O-CD2 3.25Å; K659-F661 WeakPolarHBondContact O-CD2 3.48Å; K659-F661 WeakPolarHBondContact O-CE2 3.43Å; F661-H666 HydrophobicContact CD1-CB 4.18Å; F661-W667 HydrophobicContact CB-CB 4.05Å; F661-W667 HydrophobicContact CD2-CB 4.2Å; F661-W667 HydrophobicContact CG-CB 4.19Å; F661-H670 HydrophobicContact CE1-CB 4.07Å; F661-H670 HydrophobicContact CE2-CB 4.03Å; F661-H670 AromaticContact CE2-CD2 3.25Å; F661-H670 WeakPolarHBondContact CE2-CD2 3.29Å; F661-H670 AromaticContact CE2-CG 3.8Å; F661-H670 HydrophobicContact CZ-CB 3.55Å; F661-H670 AromaticContact CZ-CD2 3.31Å; F661-H670 WeakPolarHBondContact CZ-CD2 3.39Å; F661-H670 AromaticContact CZ-CG 3.4Å; F661-H670 VanDerWaalsContact CZ-CG 3.4Å
662	R	66.1	Low	70.8	Confident	88 Å²	88	77.6 Å²	77.6	33%	0.332	40%	0.397	S	S	.	.	S	Bend	trans	-82.6	-10.9	176.5	-60.8	-165.3	168.1	137.8	-3	114.7	L644 I645 G648 Q649 K650	L644-R662 PolarHBondContact O-NE 3.41Å; I645-R662 PolarHBondContact O-NH2 3.08Å; G648-R662 PolarHBondContact O-NE 3.01Å; G648-R662 PolarHBondContact O-NH2 3.07Å; Q649-R662 WeakPolarHBondContact O-CG 3.36Å; K650-R662 HydrophobicContact CB-CG 4.49Å; K650-R662 HydrophobicContact CG-CG 3.77Å
663	Q	67.7	Low	70.6	Confident	55 Å²	55	77.1 Å²	77.1	26%	0.257	40%	0.4	S	S	.	.	S	Bend	trans	-143.6	128.4	-172.8	-54.5	-165.9	63.9	0	0	112.1	R641 P665 H666 W667	R641-Q663 HydrophobicContact CG-CG 4.42Å; Q663-P665 VanDerWaalsContact C-CD 3.49Å; Q663-H666 HydrophobicContact CB-CB 4.5Å; Q663-H666 PolarHBondContact O-N 2.97Å; Q663-W667 PolarHBondContact O-N 3.05Å; Q663-W667 VanDerWaalsContact O-N 3.09Å
664	A	69.2	Low	70.6	Confident	35 Å²	35	74 Å²	74	29%	0.289	39%	0.386	S	S	.	.	H	α-helix	trans	-54.5	-38	179.9	0	0	0	0	0	115.2	F652 H666 W667 K668	F652-A664 HydrophobicContact CD1-CB 4.05Å; F652-A664 HydrophobicContact CE1-CB 3.71Å; F652-A664 HydrophobicContact CE2-CB 4.23Å; F652-A664 HydrophobicContact CG-CB 4.46Å; F652-A664 HydrophobicContact CZ-CB 3.81Å; A664-H666 VanDerWaalsContact C-N 3.31Å; A664-H666 PolarHBondContact O-N 3.24Å; A664-W667 PolarHBondContact O-N 3.48Å; A664-K668 WeakPolarHBondContact O-CG 3.41Å; A664-K668 PolarHBondContact O-N 3.04Å
665	P	70.3	Confident	69.7	Low	87 Å²	87	82.2 Å²	82.2	57%	0.565	42%	0.422	S	S	*	.	H	α-helix	trans	-66.5	-31.2	176.4	-22.6	35.2	0	0	0	113.4	Q663 R669	Q663-P665 VanDerWaalsContact C-CD 3.49Å; P665-R669 WeakPolarHBondContact O-CB 3.33Å; P665-R669 PolarHBondContact O-N 3.2Å
666	H	75.4	Confident	69.1	Low	88 Å²	88	85.2 Å²	85.2	41%	0.407	42%	0.421	S	S	.	.	H	α-helix	trans	-75.8	-41.4	178.3	-64.9	-157.8	0	0	0	110	F661 Q663 A664 R669 H670	F661-H666 HydrophobicContact CD1-CB 4.18Å; Q663-H666 HydrophobicContact CB-CB 4.5Å; Q663-H666 PolarHBondContact O-N 2.97Å; A664-H666 VanDerWaalsContact C-N 3.31Å; A664-H666 PolarHBondContact O-N 3.24Å; H666-R669 PolarHBondContact O-N 3.34Å; H666-H670 WeakPolarHBondContact O-CB 3.26Å; H666-H670 PolarHBondContact O-N 3.36Å
667	W	79.2	Confident	67.9	Low	56 Å²	56	88 Å²	88	21%	0.212	43%	0.428	C	S	.	.	H	α-helix	trans	-58.3	-46.6	170.3	169.6	83.7	0	0	0	112.1	F652 E653 F661 Q663 A664 R669 H670 Q671	F652-W667 HydrophobicContact CB-CB 3.67Å; F652-W667 HydrophobicContact CB-CD2 4.24Å; F652-W667 HydrophobicContact CB-CG 3.66Å; F652-W667 HydrophobicContact CG-CB 4.44Å; E653-W667 PolarHBondContact O-NE1 2.74Å; F661-W667 HydrophobicContact CB-CB 4.05Å; F661-W667 HydrophobicContact CD2-CB 4.2Å; F661-W667 HydrophobicContact CG-CB 4.19Å; Q663-W667 PolarHBondContact O-N 3.05Å; Q663-W667 VanDerWaalsContact O-N 3.09Å; A664-W667 PolarHBondContact O-N 3.48Å; W667-R669 PolarHBondContact O-N 2.96Å; W667-H670 CarbonylContact O-C 3.13Å; W667-H670 PolarHBondContact O-N 2.86Å; W667-H670 VanDerWaalsContact O-N 3.15Å; W667-Q671 HydrophobicContact CD2-CG 4.44Å; W667-Q671 VanDerWaalsContact CH2-OE1 3.24Å; W667-Q671 VanDerWaalsContact CZ2-CD 3.43Å; W667-Q671 HydrophobicContact CZ2-CG 4.43Å; W667-Q671 VanDerWaalsContact CZ2-NE2 3.33Å; W667-Q671 PolarHBondContact O-N 3.34Å
668	K	68.8	Low	65.9	Low	130 Å²	130	95 Å²	95	57%	0.565	45%	0.446	S	S	*	.	H	α-helix	trans	-61.1	-43.9	174.7	-77.4	-159.4	172.4	-161.4	0	112.7	A664 H670 Q671 L672	A664-K668 WeakPolarHBondContact O-CG 3.41Å; A664-K668 PolarHBondContact O-N 3.04Å; K668-H670 PolarHBondContact O-N 2.91Å; K668-Q671 PolarHBondContact O-N 2.75Å; K668-L672 WeakPolarHBondContact O-CG 3.49Å; K668-L672 PolarHBondContact O-N 2.95Å; K668-L672 VanDerWaalsContact O-N 3.12Å
669	R	68.2	Low	64.2	Low	182 Å²	182	99.1 Å²	99.1	69%	0.687	47%	0.466	S	S	*	.	H	α-helix	trans	-59.3	-37.6	174.9	-173.2	-175.4	-66.3	165.3	-3.1	111.6	P665 H666 W667 L672 T673	P665-R669 WeakPolarHBondContact O-CB 3.33Å; P665-R669 PolarHBondContact O-N 3.2Å; H666-R669 PolarHBondContact O-N 3.34Å; W667-R669 PolarHBondContact O-N 2.96Å; R669-L672 PolarHBondContact O-N 2.79Å; R669-T673 PolarHBondContact O-N 3.01Å
670	H	75.3	Confident	62.5	Low	25 Å²	25	100.6 Å²	100.6	12%	0.116	48%	0.475	C	S	.	.	H	α-helix	trans	-76.2	-35.7	176.5	176.7	50	0	0	0	113.8	C657 F661 H666 W667 K668 L672 T673 H674	C657-H670 PolarHBondContact SG-NE2 2.86Å; F661-H670 HydrophobicContact CE1-CB 4.07Å; F661-H670 HydrophobicContact CE2-CB 4.03Å; F661-H670 AromaticContact CE2-CD2 3.25Å; F661-H670 WeakPolarHBondContact CE2-CD2 3.29Å; F661-H670 AromaticContact CE2-CG 3.8Å; F661-H670 HydrophobicContact CZ-CB 3.55Å; F661-H670 AromaticContact CZ-CD2 3.31Å; F661-H670 WeakPolarHBondContact CZ-CD2 3.39Å; F661-H670 AromaticContact CZ-CG 3.4Å; F661-H670 VanDerWaalsContact CZ-CG 3.4Å; H666-H670 WeakPolarHBondContact O-CB 3.26Å; H666-H670 PolarHBondContact O-N 3.36Å; W667-H670 CarbonylContact O-C 3.13Å; W667-H670 PolarHBondContact O-N 2.86Å; W667-H670 VanDerWaalsContact O-N 3.15Å; K668-H670 PolarHBondContact O-N 2.91Å; H670-L672 PolarHBondContact O-N 3.11Å; H670-T673 PolarHBondContact ND1-OG1 3.33Å; H670-T673 VanDerWaalsContact ND1-OG1 3.11Å; H670-T673 PolarHBondContact O-N 2.99Å; H670-T673 PolarHBondContact O-OG1 3.15Å; H670-H674 AromaticContact CD2-NE2 3.96Å; H670-H674 AromaticContact CE1-CD2 3.99Å; H670-H674 AromaticContact CE1-CE1 3.85Å; H670-H674 AromaticContact CE1-NE2 3.2Å; H670-H674 PolarHBondContact CE1-NE2 3.17Å; H670-H674 AromaticContact NE2-CD2 4Å; H670-H674 AromaticContact NE2-CE1 3.98Å; H670-H674 AromaticContact NE2-NE2 3.1Å; H670-H674 PolarHBondContact NE2-NE2 3.05Å; H670-H674 PolarHBondContact O-CD2 3.02Å
671	Q	66.8	Low	60.6	Low	55 Å²	55	101.7 Å²	101.7	26%	0.257	50%	0.496	S	S	.	.	H	α-helix	trans	-56	-39.1	169.3	-74.9	-170.5	-55	0	0	110.8	W667 K668 T673 H674 F675	W667-Q671 HydrophobicContact CD2-CG 4.44Å; W667-Q671 VanDerWaalsContact CH2-OE1 3.24Å; W667-Q671 VanDerWaalsContact CZ2-CD 3.43Å; W667-Q671 HydrophobicContact CZ2-CG 4.43Å; W667-Q671 VanDerWaalsContact CZ2-NE2 3.33Å; W667-Q671 PolarHBondContact O-N 3.34Å; K668-Q671 PolarHBondContact O-N 2.75Å; Q671-T673 PolarHBondContact O-N 3.04Å; Q671-H674 PolarHBondContact O-N 3.39Å; Q671-F675 VanDerWaalsContact O-CD2 3.25Å; Q671-F675 WeakPolarHBondContact O-CD2 3.36Å
672	L	71.3	Confident	58.7	Low	110 Å²	110	108.9 Å²	108.9	58%	0.576	53%	0.528	S	S	*	.	H	α-helix	trans	-70.4	-7.2	175.5	-65.5	169.2	0	0	0	115	K668 R669 H670 K676	K668-L672 WeakPolarHBondContact O-CG 3.49Å; K668-L672 PolarHBondContact O-N 2.95Å; K668-L672 VanDerWaalsContact O-N 3.12Å; R669-L672 PolarHBondContact O-N 2.79Å; H670-L672 PolarHBondContact O-N 3.11Å; L672-K676 WeakPolarHBondContact O-CG 3.44Å
673	T	67.3	Low	57.2	Low	61 Å²	61	111.4 Å²	111.4	37%	0.374	55%	0.552	S	S	.	*	H	α-helix	trans	-80.2	-36.8	169.2	63.4	0	0	0	0	111.4	R669 H670 Q671 F675 K676 E677	R669-T673 PolarHBondContact O-N 3.01Å; H670-T673 PolarHBondContact ND1-OG1 3.33Å; H670-T673 VanDerWaalsContact ND1-OG1 3.11Å; H670-T673 PolarHBondContact O-N 2.99Å; H670-T673 PolarHBondContact O-OG1 3.15Å; Q671-T673 PolarHBondContact O-N 3.04Å; T673-F675 PolarHBondContact O-N 3.4Å; T673-K676 PolarHBondContact O-N 3.47Å; T673-E677 PolarHBondContact O-N 3.49Å
674	H	68.2	Low	55.7	Low	57 Å²	57	114.1 Å²	114.1	26%	0.264	57%	0.573	S	S	.	*	H	α-helix	trans	-63.2	-25	175.3	-62.1	-69.9	0	0	0	113.5	C654 V656 C657 H670 Q671	C654-H674 VanDerWaalsContact SG-CD2 3.56Å; C654-H674 PolarHBondContact SG-NE2 3.39Å; V656-H674 HydrophobicContact CG1-CB 4.28Å; C657-H674 PolarHBondContact SG-CE1 3.24Å; C657-H674 PolarHBondContact SG-NE2 3.29Å; H670-H674 AromaticContact CD2-NE2 3.96Å; H670-H674 AromaticContact CE1-CD2 3.99Å; H670-H674 AromaticContact CE1-CE1 3.85Å; H670-H674 AromaticContact CE1-NE2 3.2Å; H670-H674 PolarHBondContact CE1-NE2 3.17Å; H670-H674 AromaticContact NE2-CD2 4Å; H670-H674 AromaticContact NE2-CE1 3.98Å; H670-H674 AromaticContact NE2-NE2 3.1Å; H670-H674 PolarHBondContact NE2-NE2 3.05Å; H670-H674 PolarHBondContact O-CD2 3.02Å; Q671-H674 PolarHBondContact O-N 3.39Å
675	F	56	Low	53.9	Low	172 Å²	172	116.1 Å²	116.1	75%	0.754	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	4.3	173.6	-66	-74.5	0	0	0	113.9	Q671 T673	Q671-F675 VanDerWaalsContact O-CD2 3.25Å; Q671-F675 WeakPolarHBondContact O-CD2 3.36Å; T673-F675 PolarHBondContact O-N 3.4Å
676	K	54.9	Low	52.2	Low	172 Å²	172	119.9 Å²	119.9	75%	0.748	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112	-10.6	178.9	-81.8	-166.8	170.4	-160.2	0	114.4	L672 T673	L672-K676 WeakPolarHBondContact O-CG 3.44Å; T673-K676 PolarHBondContact O-N 3.47Å
677	E	42.2	Very low	50.1	Low	157 Å²	157	122.8 Å²	122.8	73%	0.734	62%	0.622	S	S	*	*	S	Bend	trans	-90.7	127.5	168.1	-73.6	167.1	-162.3	0	0	108.6	T673	T673-E677 PolarHBondContact O-N 3.49Å
678	R	31.4	Very low	48	Very low	199 Å²	199	125.8 Å²	125.8	75%	0.751	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-59.9	142.7	-164.5	-78.7	178	170.2	172.6	-3.1	114.1	Q680	R678-Q680 HydrophobicContact CB-CG 4.36Å
679	P	31.9	Very low	46.4	Very low	128 Å²	128	125.9 Å²	125.9	83%	0.831	66%	0.663	S	S	*	*	P	Polyproline II helix		-69.5	118.5	129.5	10.2	7	0	0	0	108.1
680	Q	36.8	Very low	44.8	Very low	156 Å²	156	129.5 Å²	129.5	73%	0.729	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-73.1	144.8	168.3	-61	-132.4	48.3	0	0	109.1	R678	R678-Q680 HydrophobicContact CB-CG 4.36Å
681	G	32.2	Very low	43.2	Very low	74 Å²	74	134.7 Å²	134.7	76%	0.763	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-72.2	139.5	-173.6	0	0	0	0	0	113
682	K	33.4	Very low	42	Very low	200 Å²	200	138.9 Å²	138.9	87%	0.87	74%	0.743	S	S	*	*			trans	-103.6	97.7	143.7	-79.3	-167.2	173	-171	0	107.7
683	V	35	Very low	40.4	Very low	140 Å²	140	140.5 Å²	140.5	85%	0.848	75%	0.753	S	S	*	*			trans	-78.1	112.4	156.1	176.6	0	0	0	0	105.3
684	V	35.1	Very low	38.8	Very low	113 Å²	113	145.2 Å²	145.2	69%	0.685	78%	0.775	S	S	*	*			trans	-108.9	106.7	160.9	177.8	0	0	0	0	104.5
685	A	31.5	Very low	37	Very low	76 Å²	76	150.7 Å²	150.7	63%	0.628	81%	0.807	S	S	*	*			trans	-70.2	132.4	167.4	0	0	0	0	0	108
686	L	34.8	Very low	35.7	Very low	166 Å²	166	149.3 Å²	149.3	87%	0.869	81%	0.81	S	S	*	*			trans	-114	91.2	164.1	-88.1	166.5	0	0	0	106.1
687	D	32.8	Very low	34.3	Very low	150 Å²	150	147.6 Å²	147.6	80%	0.802	82%	0.815	S	S	*	*			trans	-90.9	147.1	159.3	-75.1	-51.8	0	0	0	108.8
688	S	35.3	Very low	33.7	Very low	118 Å²	118	146.9 Å²	146.9	83%	0.825	82%	0.821	S	S	*	*			trans	-70.8	154.4	-163.9	-43.9	0	0	0	0	115.2
689	V	33.9	Very low	33.9	Very low	133 Å²	133	142.6 Å²	142.6	81%	0.806	83%	0.827	S	S	*	*			trans	-155.6	143	137.5	152.2	0	0	0	0	108.3
690	M	34.3	Very low	34.1	Very low	257 Å²	257	143.9 Å²	143.9	100%	1.266	83%	0.826	S	S	*	*			trans	66.6	0	-177.5	-61.1	-77.4	-173.6	0	0	115.2

Retrieved 690 of 690 residues in 441 ms (Link to these results)

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