A0A3Q0KVE4_SCHMA Loading...

Putative tyrosyl-DNA phosphodiesterase

AlphaFold DB , UniProt , Accession A0A3Q0KVE4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 512 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	33.9	Very low	31.4	Very low	230 Å²	230	153.8 Å²	153.8	100%	1.133	83%	0.827	S	S	*	*				0	91	0	-64	-177.9	-157.4	0	0	108.1
2	S	30.6	Very low	32.4	Very low	119 Å²	119	150.6 Å²	150.6	83%	0.832	81%	0.809	S	S	*	*			trans	-95.3	102.7	178.9	47.4	0	0	0	0	109.4	S4	S2-S4 PolarHBondContact O-N 2.66Å; S2-S4 VanDerWaalsContact O-N 3.08Å
3	F	29	Very low	33.3	Very low	193 Å²	193	144.7 Å²	144.7	85%	0.846	78%	0.782	S	S	*	*			trans	-72.6	97.4	167.8	-79.8	-86.4	0	0	0	108.5	T5	F3-T5 PolarHBondContact O-N 2.66Å
4	S	28.2	Very low	34.3	Very low	108 Å²	108	137.4 Å²	137.4	76%	0.755	76%	0.757	S	S	*	*			trans	-74.9	102.6	169.5	-179.8	0	0	0	0	108.9	S2 K6	S2-S4 PolarHBondContact O-N 2.66Å; S2-S4 VanDerWaalsContact O-N 3.08Å; S4-K6 PolarHBondContact O-N 2.83Å
5	T	31	Very low	35.6	Very low	131 Å²	131	136.1 Å²	136.1	80%	0.804	76%	0.757	S	S	*	*			trans	-67	97.6	169.9	41.6	0	0	0	0	109.5	F3 R7	F3-T5 PolarHBondContact O-N 2.66Å; T5-R7 PolarHBondContact O-N 2.64Å; T5-R7 VanDerWaalsContact O-N 3.12Å
6	K	28.1	Very low	37.3	Very low	199 Å²	199	136.9 Å²	136.9	87%	0.865	76%	0.76	S	S	*	*			trans	-59.9	110.8	166.7	-78	-177	175.2	-179.7	0	108.9	S4 S8	S4-K6 PolarHBondContact O-N 2.83Å; K6-S8 PolarHBondContact O-N 2.86Å
7	R	29	Very low	39.2	Very low	237 Å²	237	132.3 Å²	132.3	89%	0.894	73%	0.731	S	S	*	*			trans	-59	115.7	163.2	-87.9	-178.8	173.4	-175.8	-1.9	108	T5 T9	T5-R7 PolarHBondContact O-N 2.64Å; T5-R7 VanDerWaalsContact O-N 3.12Å; R7-T9 PolarHBondContact O-N 3.47Å; R7-T9 VanDerWaalsContact O-N 3.11Å
8	S	29.1	Very low	41.6	Very low	117 Å²	117	129.1 Å²	129.1	82%	0.818	72%	0.717	S	S	*	*			trans	-64.9	104.4	169.4	174.7	0	0	0	0	108.5	K6 N10	K6-S8 PolarHBondContact O-N 2.86Å; S8-N10 PolarHBondContact O-N 3.27Å
9	T	31	Very low	43.7	Very low	126 Å²	126	127.1 Å²	127.1	77%	0.773	71%	0.709	S	S	*	*			trans	-84.9	102	169.7	50	0	0	0	0	107.6	R7	R7-T9 PolarHBondContact O-N 3.47Å; R7-T9 VanDerWaalsContact O-N 3.11Å
10	N	35.4	Very low	45.4	Very low	113 Å²	113	120.9 Å²	120.9	60%	0.604	68%	0.675	S	S	*	*			trans	-66.6	122.7	172.3	-150.6	-7	0	0	0	108.2	S8 D12 V13	S8-N10 PolarHBondContact O-N 3.27Å; N10-D12 VanDerWaalsContact C-N 3.29Å; N10-D12 PolarHBondContact O-N 3.1Å; N10-D12 VanDerWaalsContact O-N 3.15Å; N10-V13 WeakPolarHBondContact O-CG2 3.38Å
11	P	40.3	Very low	46.8	Very low	119 Å²	119	120.3 Å²	120.3	77%	0.773	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	3.9	-163.1	26.2	-32.4	0	0	0	116.8
12	D	43.8	Very low	48.5	Very low	115 Å²	115	112 Å²	112	62%	0.615	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	29.5	178.6	-75.2	-31.8	0	0	0	114.1	N10	N10-D12 VanDerWaalsContact C-N 3.29Å; N10-D12 PolarHBondContact O-N 3.1Å; N10-D12 VanDerWaalsContact O-N 3.15Å
13	V	44.2	Very low	50.6	Low	74 Å²	74	107.3 Å²	107.3	45%	0.448	59%	0.592	S	S	.	*			trans	-96.2	111.7	-178.6	-178.7	0	0	0	0	110.3	N10 P15	N10-V13 WeakPolarHBondContact O-CG2 3.38Å; V13-P15 WeakPolarHBondContact O-CD 3.23Å
14	G	46.7	Very low	52.5	Low	42 Å²	42	106.7 Å²	106.7	43%	0.433	58%	0.584	S	S	.	*			trans	-59.4	121	159.6	0	0	0	0	0	108.5	N16	G14-N16 PolarHBondContact O-N 3.09Å
15	P	53.8	Low	54.3	Low	118 Å²	118	106.8 Å²	106.8	77%	0.766	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-3.1	-159.3	17.4	-29.4	0	0	0	117	V13	V13-P15 WeakPolarHBondContact O-CD 3.23Å
16	N	63.1	Low	56.2	Low	149 Å²	149	100.7 Å²	100.7	80%	0.797	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.8	14.6	-167.3	-70.7	-11.6	0	0	0	115.9	G14 P18	G14-N16 PolarHBondContact O-N 3.09Å; N16-P18 WeakPolarHBondContact O-CD 3.23Å
17	Q	69.2	Low	58.2	Low	59 Å²	59	92 Å²	92	28%	0.276	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-74.3	121.5	176	-75.1	173.7	-22.9	0	0	110.9	E35	Q17-E35 PolarHBondContact NE2-O 3.24Å
18	P	82.3	Confident	60	Low	74 Å²	74	82 Å²	82	48%	0.481	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-63	146.2	174	26	-33.2	0	0	0	111	N16 F37 Y38	N16-P18 WeakPolarHBondContact O-CD 3.23Å; P18-F37 HydrophobicContact CB-CD1 4.41Å; P18-F37 HydrophobicContact CG-CD1 3.83Å; P18-F37 HydrophobicContact CG-CE1 3.89Å; P18-F37 CarbonylContact O-C 3.51Å; P18-F37 WeakPolarHBondContact O-CA 3.45Å; P18-Y38 PolarHBondContact O-N 3.39Å
19	T	82.2	Confident	62	Low	91 Å²	91	78.2 Å²	78.2	56%	0.558	43%	0.432	S	S	*	.	B	Isolated β-bridge	trans	-73	132.5	176.4	-58.1	0	0	0	0	109.9	K21 Y38	T19-K21 PolarHBondContact O-N 3.37Å; T19-Y38 WeakPolarHBondContact CA-O 3.45Å; T19-Y38 HydrophobicContact CG2-CD1 4.29Å
20	C	77	Confident	63.8	Low	3 Å²	3	74.5 Å²	74.5	2%	0.02	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-64.5	122.1	173.3	-177.4	0	0	0	0	109.8	Y22 G23 C26 F37 Y38 H39	C20-Y22 PolarHBondContact O-N 3.39Å; C20-Y22 VanDerWaalsContact O-N 3.13Å; C20-G23 PolarHBondContact O-N 2.99Å; C20-C26 VanDerWaalsContact SG-SG 3.62Å; C20-F37 HydrophobicContact CB-CB 4.12Å; C20-Y38 PolarHBondContact N-O 3.41Å; C20-H39 WeakPolarHBondContact CB-NE2 3.48Å; C20-H39 PolarHBondContact SG-NE2 3.29Å; C20-H39 VanDerWaalsContact SG-NE2 3.43Å
21	K	74.2	Confident	65.4	Low	110 Å²	110	69.6 Å²	69.6	48%	0.478	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-19.6	-176.9	80	-173.5	-179.5	-177.3	0	114.6	T19 E510 P511 S512	T19-K21 PolarHBondContact O-N 3.37Å; K21-E510 WeakPolarHBondContact CE-O 3.28Å; K21-E510 PolarHBondContact NZ-O 2.86Å; K21-P511 VanDerWaalsContact CE-C 3.43Å; K21-P511 PolarHBondContact NZ-O 3.34Å; K21-S512 VanDerWaalsContact CE-N 3.26Å
22	Y	70.2	Confident	66.9	Low	54 Å²	54	70.1 Å²	70.1	21%	0.212	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-12.2	177.6	-59.2	-74.9	0	0	0	112.9	C20 R24 D25 Y27 E510 P511	C20-Y22 PolarHBondContact O-N 3.39Å; C20-Y22 VanDerWaalsContact O-N 3.13Å; Y22-R24 PolarHBondContact O-N 2.85Å; Y22-R24 VanDerWaalsContact O-N 3.13Å; Y22-D25 PolarHBondContact O-N 3.2Å; Y22-Y27 HydrophobicContact CD2-CD1 4.36Å; Y22-Y27 AromaticContact CD2-CE1 3.95Å; Y22-Y27 HydrophobicContact CD2-CE1 3.95Å; Y22-Y27 HydrophobicContact CE1-CE1 4.4Å; Y22-Y27 HydrophobicContact CE2-CD1 4.2Å; Y22-Y27 AromaticContact CE2-CE1 3.43Å; Y22-Y27 HydrophobicContact CE2-CE1 3.43Å; Y22-Y27 VanDerWaalsContact CE2-CE1 3.43Å; Y22-Y27 AromaticContact CZ-CE1 3.65Å; Y22-E510 VanDerWaalsContact OH-C 3.28Å; Y22-E510 PolarHBondContact OH-O 3.28Å; Y22-P511 WeakPolarHBondContact OH-CA 3.48Å
23	G	75.7	Confident	68.5	Low	21 Å²	21	65 Å²	65	22%	0.216	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	49.3	-120.6	179.1	0	0	0	0	0	112.7	C20 D25 C26 H39	C20-G23 PolarHBondContact O-N 2.99Å; G23-D25 VanDerWaalsContact C-N 3.3Å; G23-D25 PolarHBondContact O-N 3.29Å; G23-C26 VanDerWaalsContact O-CB 3.25Å; G23-C26 WeakPolarHBondContact O-CB 3.35Å; G23-C26 PolarHBondContact O-N 3.48Å; G23-H39 PolarHBondContact O-CD2 3.46Å
24	R	67.3	Low	70.1	Confident	180 Å²	180	62.7 Å²	62.7	68%	0.679	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-67.9	-28.1	-179.2	-62.1	-179.6	-174.7	-173.5	-2.3	113.3	Y22 C26 D41	Y22-R24 PolarHBondContact O-N 2.85Å; Y22-R24 VanDerWaalsContact O-N 3.13Å; R24-C26 PolarHBondContact O-N 3.11Å; R24-D41 HydrophobicContact CG-CB 4.21Å; R24-D41 IonicContact CZ-OD2 2.65Å; R24-D41 VanDerWaalsContact NE-CG 3.33Å; R24-D41 IonicContact NE-OD2 3.41Å; R24-D41 PolarHBondContact NE-OD2 2.79Å; R24-D41 IonicContact NH2-OD1 3.72Å; R24-D41 PolarHBondContact NH2-OD1 3.29Å; R24-D41 VanDerWaalsContact NH2-OD1 3.16Å; R24-D41 IonicContact NH2-OD2 2.75Å; R24-D41 PolarHBondContact NH2-OD2 2.59Å
25	D	66.6	Low	71.4	Confident	110 Å²	110	65.8 Å²	65.8	59%	0.588	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-88.4	15.5	-179.5	-55.5	-39	0	0	0	112.2	Y22 G23 Y27	Y22-D25 PolarHBondContact O-N 3.2Å; G23-D25 VanDerWaalsContact C-N 3.3Å; G23-D25 PolarHBondContact O-N 3.29Å; D25-Y27 PolarHBondContact O-N 2.78Å; D25-Y27 VanDerWaalsContact O-N 3.12Å
26	C	71.3	Confident	72.5	Confident	4 Å²	4	64.2 Å²	64.2	3%	0.027	31%	0.31	C	S	.	.			trans	-61.5	116.1	177.9	-176.2	0	0	0	0	111	C20 G23 R24 R28 K29 H33 H39	C20-C26 VanDerWaalsContact SG-SG 3.62Å; G23-C26 VanDerWaalsContact O-CB 3.25Å; G23-C26 WeakPolarHBondContact O-CB 3.35Å; G23-C26 PolarHBondContact O-N 3.48Å; R24-C26 PolarHBondContact O-N 3.11Å; C26-R28 VanDerWaalsContact C-N 3.28Å; C26-R28 PolarHBondContact O-N 3.22Å; C26-R28 PolarHBondContact SG-N 3.3Å; C26-K29 WeakPolarHBondContact O-CE 3.39Å; C26-K29 PolarHBondContact O-NZ 2.76Å; C26-H33 PolarHBondContact SG-NE2 3.04Å; C26-H39 PolarHBondContact SG-NE2 3.47Å; C26-H39 VanDerWaalsContact SG-NE2 3.38Å
27	Y	68.8	Low	73.3	Confident	17 Å²	17	58.9 Å²	58.9	7%	0.067	28%	0.28	C	S	.	.			trans	-73.8	-17.8	176.2	66.6	-95	0	0	0	112.8	Y22 D25 K29 F357 L495 W509	Y22-Y27 HydrophobicContact CD2-CD1 4.36Å; Y22-Y27 AromaticContact CD2-CE1 3.95Å; Y22-Y27 HydrophobicContact CD2-CE1 3.95Å; Y22-Y27 HydrophobicContact CE1-CE1 4.4Å; Y22-Y27 HydrophobicContact CE2-CD1 4.2Å; Y22-Y27 AromaticContact CE2-CE1 3.43Å; Y22-Y27 HydrophobicContact CE2-CE1 3.43Å; Y22-Y27 VanDerWaalsContact CE2-CE1 3.43Å; Y22-Y27 AromaticContact CZ-CE1 3.65Å; D25-Y27 PolarHBondContact O-N 2.78Å; D25-Y27 VanDerWaalsContact O-N 3.12Å; Y27-K29 PolarHBondContact O-N 2.97Å; Y27-F357 HydrophobicContact CD1-CD1 4.39Å; Y27-F357 HydrophobicContact CD1-CE1 4.41Å; Y27-F357 HydrophobicContact CG-CD1 4.35Å; Y27-L495 HydrophobicContact CE2-CD1 4.06Å; Y27-W509 AromaticContact CD1-CH2 3.68Å; Y27-W509 HydrophobicContact CD1-CH2 3.68Å; Y27-W509 AromaticContact CD1-CZ3 3.9Å; Y27-W509 HydrophobicContact CD1-CZ3 3.9Å; Y27-W509 AromaticContact CD2-CH2 3.61Å; Y27-W509 HydrophobicContact CD2-CH2 3.61Å; Y27-W509 HydrophobicContact CD2-CZ2 4.38Å; Y27-W509 HydrophobicContact CD2-CZ3 4.48Å; Y27-W509 AromaticContact CE1-CH2 3.22Å; Y27-W509 HydrophobicContact CE1-CH2 3.22Å; Y27-W509 AromaticContact CE1-CZ2 3.82Å; Y27-W509 HydrophobicContact CE1-CZ2 3.82Å; Y27-W509 AromaticContact CE1-CZ3 3.66Å; Y27-W509 HydrophobicContact CE1-CZ3 3.66Å; Y27-W509 AromaticContact CE2-CH2 3.18Å; Y27-W509 HydrophobicContact CE2-CH2 3.18Å; Y27-W509 AromaticContact CE2-CZ2 3.53Å; Y27-W509 HydrophobicContact CE2-CZ2 3.53Å; Y27-W509 HydrophobicContact CE2-CZ3 4.3Å; Y27-W509 AromaticContact CG-CH2 3.86Å; Y27-W509 HydrophobicContact CG-CH2 3.86Å; Y27-W509 HydrophobicContact CG-CZ3 4.32Å; Y27-W509 AromaticContact CZ-CH2 2.98Å; Y27-W509 AromaticContact CZ-CZ2 3.2Å; Y27-W509 AromaticContact CZ-CZ3 3.91Å; Y27-W509 WeakPolarHBondContact OH-CH2 3.44Å; Y27-W509 WeakPolarHBondContact OH-CZ2 3.03Å
28	R	67.8	Low	73.7	Confident	27 Å²	27	60.2 Å²	60.2	10%	0.102	28%	0.283	C	S	.	.			trans	-81.7	106.2	179.2	-64.4	-173.5	174.1	-178.2	0.2	109.2	C26 H33 F34	C26-R28 VanDerWaalsContact C-N 3.28Å; C26-R28 PolarHBondContact O-N 3.22Å; C26-R28 PolarHBondContact SG-N 3.3Å; R28-H33 HydrophobicContact CB-CB 4.12Å; R28-H33 VanDerWaalsContact CD-ND1 3.26Å; R28-H33 WeakPolarHBondContact CD-ND1 3.4Å; R28-F34 WeakPolarHBondContact O-CE2 3.08Å; R28-F34 WeakPolarHBondContact O-CZ 3.08Å
29	K	71.4	Confident	73.6	Confident	37 Å²	37	57.4 Å²	57.4	16%	0.161	26%	0.264	C	S	.	.			trans	-98.9	-0.1	177.1	-54.4	-49.8	-166	-171	0	114.1	C26 Y27 L45 M108 I188	C26-K29 WeakPolarHBondContact O-CE 3.39Å; C26-K29 PolarHBondContact O-NZ 2.76Å; Y27-K29 PolarHBondContact O-N 2.97Å; K29-L45 HydrophobicContact CB-CD2 4.02Å; K29-L45 HydrophobicContact CD-CD2 3.81Å; K29-L45 HydrophobicContact CG-CD2 4.13Å; K29-M108 HydrophobicContact CB-SD 4.15Å; K29-I188 HydrophobicContact CB-CD1 4.04Å; K29-I188 HydrophobicContact CG-CD1 4.32Å
30	N	67.7	Low	72.7	Confident	48 Å²	48	56.4 Å²	56.4	26%	0.257	26%	0.259	S	S	.	.			trans	-62.3	127.6	179.2	-178.8	-20	0	0	0	111.9	R32 H33 F34 F107 M108	N30-R32 PolarHBondContact O-N 3.38Å; N30-R32 VanDerWaalsContact O-N 3.11Å; N30-R32 WeakPolarHBondContact OD1-CB 3.28Å; N30-R32 PolarHBondContact OD1-N 2.82Å; N30-H33 VanDerWaalsContact O-CB 3.25Å; N30-H33 WeakPolarHBondContact O-CB 3.32Å; N30-H33 PolarHBondContact O-N 3.13Å; N30-F34 WeakPolarHBondContact O-CD2 3.33Å; N30-F107 WeakPolarHBondContact OD1-CZ 3.38Å; N30-M108 VanDerWaalsContact CA-CE 3.44Å; N30-M108 HydrophobicContact CB-CE 3.97Å
31	P	69.6	Low	71.9	Confident	10 Å²	10	59.5 Å²	59.5	7%	0.065	28%	0.275	C	S	.	.	H	α-helix	trans	-45.5	-42	175.1	-31.1	34.5	0	0	0	114.5	H33 F34 E35 F107 M108 F133 M137	P31-H33 VanDerWaalsContact C-N 3.27Å; P31-H33 PolarHBondContact O-N 3.1Å; P31-F34 PolarHBondContact O-N 2.69Å; P31-E35 PolarHBondContact O-N 2.85Å; P31-F107 HydrophobicContact CG-CE1 4.42Å; P31-F107 HydrophobicContact CG-CE2 4.15Å; P31-F107 HydrophobicContact CG-CZ 4Å; P31-M108 HydrophobicContact CG-CG 4.45Å; P31-F133 HydrophobicContact CG-CD1 4.31Å; P31-F133 HydrophobicContact CG-CE1 3.79Å; P31-M137 HydrophobicContact CB-CE 4.35Å; P31-M137 HydrophobicContact CB-CG 4.26Å; P31-M137 HydrophobicContact CG-CE 4.32Å
32	R	70.8	Confident	70.7	Confident	129 Å²	129	57.7 Å²	57.7	49%	0.487	27%	0.271	S	S	.	.	H	α-helix	trans	-62.7	-32.2	179.2	-173.3	177	171.1	166	4.7	113.1	N30 F34 E35 E36	N30-R32 PolarHBondContact O-N 3.38Å; N30-R32 VanDerWaalsContact O-N 3.11Å; N30-R32 WeakPolarHBondContact OD1-CB 3.28Å; N30-R32 PolarHBondContact OD1-N 2.82Å; R32-F34 VanDerWaalsContact C-N 3.28Å; R32-F34 PolarHBondContact O-N 3.14Å; R32-E35 WeakPolarHBondContact O-CB 3.35Å; R32-E35 PolarHBondContact O-N 3.09Å; R32-E36 IonicContact CZ-OE1 2.96Å; R32-E36 IonicContact NE-OE1 3.2Å; R32-E36 PolarHBondContact NE-OE1 3.15Å; R32-E36 IonicContact NH2-OE1 2.72Å; R32-E36 WeakPolarHBondContact O-CG 3.06Å; R32-E36 PolarHBondContact O-N 3.27Å; R32-E36 VanDerWaalsContact O-N 3.17Å
33	H	77.6	Confident	69.3	Low	8 Å²	8	63.2 Å²	63.2	4%	0.037	30%	0.298	C	S	.	.	H	α-helix	trans	-63.3	-36.5	175.4	176.4	74.6	0	0	0	111.5	C26 R28 N30 P31 E35 E36 F37 H39	C26-H33 PolarHBondContact SG-NE2 3.04Å; R28-H33 HydrophobicContact CB-CB 4.12Å; R28-H33 VanDerWaalsContact CD-ND1 3.26Å; R28-H33 WeakPolarHBondContact CD-ND1 3.4Å; N30-H33 VanDerWaalsContact O-CB 3.25Å; N30-H33 WeakPolarHBondContact O-CB 3.32Å; N30-H33 PolarHBondContact O-N 3.13Å; P31-H33 VanDerWaalsContact C-N 3.27Å; P31-H33 PolarHBondContact O-N 3.1Å; H33-E35 VanDerWaalsContact C-N 3.29Å; H33-E35 PolarHBondContact O-N 3.39Å; H33-E36 PolarHBondContact O-N 2.92Å; H33-F37 AromaticContact CE1-CD2 3.44Å; H33-F37 VanDerWaalsContact CE1-CD2 3.44Å; H33-F37 WeakPolarHBondContact CE1-CD2 3.29Å; H33-F37 AromaticContact CE1-CG 3.74Å; H33-F37 AromaticContact ND1-CD2 3.41Å; H33-F37 WeakPolarHBondContact ND1-CD2 3.46Å; H33-F37 AromaticContact ND1-CE2 3.93Å; H33-F37 PolarHBondContact O-N 3.38Å; H33-H39 AromaticContact CD2-CE1 3.47Å; H33-H39 PolarHBondContact CD2-CE1 3.13Å; H33-H39 VanDerWaalsContact CD2-CE1 3.47Å; H33-H39 AromaticContact CD2-NE2 3.76Å; H33-H39 AromaticContact NE2-CE1 3.19Å; H33-H39 PolarHBondContact NE2-CE1 3.46Å; H33-H39 AromaticContact NE2-NE2 3.28Å; H33-H39 PolarHBondContact NE2-NE2 3.08Å
34	F	78.4	Confident	67.6	Low	26 Å²	26	64.1 Å²	64.1	11%	0.114	30%	0.3	C	S	.	.	H	α-helix	trans	-77.8	-14.2	178	-63.3	-81.8	0	0	0	113.6	R28 N30 P31 R32 H39 M137	R28-F34 WeakPolarHBondContact O-CE2 3.08Å; R28-F34 WeakPolarHBondContact O-CZ 3.08Å; N30-F34 WeakPolarHBondContact O-CD2 3.33Å; P31-F34 PolarHBondContact O-N 2.69Å; R32-F34 VanDerWaalsContact C-N 3.28Å; R32-F34 PolarHBondContact O-N 3.14Å; F34-H39 AromaticContact CD1-CE1 3.63Å; F34-H39 AromaticContact CD1-ND1 3.48Å; F34-H39 WeakPolarHBondContact CD1-ND1 3.42Å; F34-H39 AromaticContact CE1-CD2 3.95Å; F34-H39 AromaticContact CE1-CE1 3.66Å; F34-H39 AromaticContact CE1-CG 3.9Å; F34-H39 AromaticContact CE1-ND1 3.72Å; F34-H39 AromaticContact CE1-NE2 3.82Å; F34-M137 HydrophobicContact CB-SD 4.04Å; F34-M137 HydrophobicContact CD2-SD 4.19Å; F34-M137 HydrophobicContact CG-SD 4.25Å
35	E	74.2	Confident	66.2	Low	106 Å²	106	57.4 Å²	57.4	50%	0.495	28%	0.277	S	S	.	.	H	α-helix	trans	-82.1	-23.4	166.5	-64.7	176.1	178.5	0	0	112.4	Q17 P31 R32 H33	Q17-E35 PolarHBondContact NE2-O 3.24Å; P31-E35 PolarHBondContact O-N 2.85Å; R32-E35 WeakPolarHBondContact O-CB 3.35Å; R32-E35 PolarHBondContact O-N 3.09Å; H33-E35 VanDerWaalsContact C-N 3.29Å; H33-E35 PolarHBondContact O-N 3.39Å
36	E	76.7	Confident	64.6	Low	86 Å²	86	57.5 Å²	57.5	40%	0.402	28%	0.281	S	S	.	.	H	α-helix	trans	-96.7	-31.6	-177.7	-69.3	173.6	-174.6	0	0	111.9	R32 H33	R32-E36 IonicContact CZ-OE1 2.96Å; R32-E36 IonicContact NE-OE1 3.2Å; R32-E36 PolarHBondContact NE-OE1 3.15Å; R32-E36 IonicContact NH2-OE1 2.72Å; R32-E36 WeakPolarHBondContact O-CG 3.06Å; R32-E36 PolarHBondContact O-N 3.27Å; R32-E36 VanDerWaalsContact O-N 3.17Å; H33-E36 PolarHBondContact O-N 2.92Å
37	F	79.6	Confident	62.5	Low	37 Å²	37	58.3 Å²	58.3	16%	0.162	29%	0.29	C	S	.	.	S	Bend	trans	-128	137.9	-173.9	-64.1	-93.2	0	0	0	113.7	P18 C20 H33 H39	P18-F37 HydrophobicContact CB-CD1 4.41Å; P18-F37 HydrophobicContact CG-CD1 3.83Å; P18-F37 HydrophobicContact CG-CE1 3.89Å; P18-F37 CarbonylContact O-C 3.51Å; P18-F37 WeakPolarHBondContact O-CA 3.45Å; C20-F37 HydrophobicContact CB-CB 4.12Å; H33-F37 AromaticContact CE1-CD2 3.44Å; H33-F37 VanDerWaalsContact CE1-CD2 3.44Å; H33-F37 WeakPolarHBondContact CE1-CD2 3.29Å; H33-F37 AromaticContact CE1-CG 3.74Å; H33-F37 AromaticContact ND1-CD2 3.41Å; H33-F37 WeakPolarHBondContact ND1-CD2 3.46Å; H33-F37 AromaticContact ND1-CE2 3.93Å; H33-F37 PolarHBondContact O-N 3.38Å; F37-H39 PolarHBondContact O-ND1 2.86Å; F37-H39 VanDerWaalsContact O-ND1 3.1Å
38	Y	78.7	Confident	60.5	Low	87 Å²	87	65.2 Å²	65.2	34%	0.341	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-79.3	134.1	176.7	177	-106.5	0	0	0	112.2	P18 T19 C20 P40	P18-Y38 PolarHBondContact O-N 3.39Å; T19-Y38 WeakPolarHBondContact CA-O 3.45Å; T19-Y38 HydrophobicContact CG2-CD1 4.29Å; C20-Y38 PolarHBondContact N-O 3.41Å; Y38-P40 HydrophobicContact CE1-CB 3.85Å; Y38-P40 HydrophobicContact CE1-CG 4.45Å
39	H	79.8	Confident	58.4	Low	14 Å²	14	71.6 Å²	71.6	7%	0.065	35%	0.353	C	S	.	.			trans	-125	117.2	172.8	-60	71.6	0	0	0	108.2	C20 G23 C26 H33 F34 F37 D41	C20-H39 WeakPolarHBondContact CB-NE2 3.48Å; C20-H39 PolarHBondContact SG-NE2 3.29Å; C20-H39 VanDerWaalsContact SG-NE2 3.43Å; G23-H39 PolarHBondContact O-CD2 3.46Å; C26-H39 PolarHBondContact SG-NE2 3.47Å; C26-H39 VanDerWaalsContact SG-NE2 3.38Å; H33-H39 AromaticContact CD2-CE1 3.47Å; H33-H39 PolarHBondContact CD2-CE1 3.13Å; H33-H39 VanDerWaalsContact CD2-CE1 3.47Å; H33-H39 AromaticContact CD2-NE2 3.76Å; H33-H39 AromaticContact NE2-CE1 3.19Å; H33-H39 PolarHBondContact NE2-CE1 3.46Å; H33-H39 AromaticContact NE2-NE2 3.28Å; H33-H39 PolarHBondContact NE2-NE2 3.08Å; F34-H39 AromaticContact CD1-CE1 3.63Å; F34-H39 AromaticContact CD1-ND1 3.48Å; F34-H39 WeakPolarHBondContact CD1-ND1 3.42Å; F34-H39 AromaticContact CE1-CD2 3.95Å; F34-H39 AromaticContact CE1-CE1 3.66Å; F34-H39 AromaticContact CE1-CG 3.9Å; F34-H39 AromaticContact CE1-ND1 3.72Å; F34-H39 AromaticContact CE1-NE2 3.82Å; F37-H39 PolarHBondContact O-ND1 2.86Å; F37-H39 VanDerWaalsContact O-ND1 3.1Å; H39-D41 PolarHBondContact O-N 2.76Å
40	P	63.5	Low	56.2	Low	70 Å²	70	76.4 Å²	76.4	46%	0.455	38%	0.379	S	S	.	.	S	Bend	trans	-66.4	-22.7	-171.9	20.8	-30	0	0	0	114.5	Y38	Y38-P40 HydrophobicContact CE1-CB 3.85Å; Y38-P40 HydrophobicContact CE1-CG 4.45Å
41	D	58.8	Low	54.1	Low	68 Å²	68	79.4 Å²	79.4	36%	0.364	40%	0.399	S	S	.	.			trans	-122.3	74.9	-179.6	-59.5	-68.4	0	0	0	109.9	R24 H39 Q43	R24-D41 HydrophobicContact CG-CB 4.21Å; R24-D41 IonicContact CZ-OD2 2.65Å; R24-D41 VanDerWaalsContact NE-CG 3.33Å; R24-D41 IonicContact NE-OD2 3.41Å; R24-D41 PolarHBondContact NE-OD2 2.79Å; R24-D41 IonicContact NH2-OD1 3.72Å; R24-D41 PolarHBondContact NH2-OD1 3.29Å; R24-D41 VanDerWaalsContact NH2-OD1 3.16Å; R24-D41 IonicContact NH2-OD2 2.75Å; R24-D41 PolarHBondContact NH2-OD2 2.59Å; H39-D41 PolarHBondContact O-N 2.76Å; D41-Q43 PolarHBondContact O-N 3.37Å
42	N	49.4	Very low	52.1	Low	73 Å²	73	85.9 Å²	85.9	39%	0.39	43%	0.434	S	S	.	.			trans	-68	24.5	174.1	-98.5	6.1	0	0	0	113.5	V44	N42-V44 VanDerWaalsContact C-N 3.28Å; N42-V44 PolarHBondContact O-N 2.65Å
43	Q	41.5	Very low	49.9	Very low	169 Å²	169	85 Å²	85	79%	0.79	45%	0.447	S	S	*	.			trans	-69.5	95.4	169.2	-69.4	-168.4	11.3	0	0	107.5	D41	D41-Q43 PolarHBondContact O-N 3.37Å
44	V	39.1	Very low	47.5	Very low	40 Å²	40	91.5 Å²	91.5	24%	0.242	48%	0.482	C	S	.	.			trans	34.3	120.4	153.9	-172.2	0	0	0	0	114.4	N42 V46 P112	N42-V44 VanDerWaalsContact C-N 3.28Å; N42-V44 PolarHBondContact O-N 2.65Å; V44-V46 WeakPolarHBondContact O-CG2 3.48Å; V44-V46 PolarHBondContact O-N 2.89Å; V44-P112 HydrophobicContact CG1-CG 4.43Å
45	L	39.2	Very low	45.2	Very low	39 Å²	39	96.1 Å²	96.1	20%	0.204	52%	0.518	C	S	.	.			trans	-9.4	41.4	158.1	-62.4	165.9	0	0	0	120.4	K29 G47 F109 D110 I188	K29-L45 HydrophobicContact CB-CD2 4.02Å; K29-L45 HydrophobicContact CD-CD2 3.81Å; K29-L45 HydrophobicContact CG-CD2 4.13Å; L45-G47 PolarHBondContact O-N 3.1Å; L45-F109 WeakPolarHBondContact CD1-O 3.15Å; L45-D110 HydrophobicContact CB-CB 3.98Å; L45-D110 HydrophobicContact CD1-CB 4.01Å; L45-I188 HydrophobicContact CD1-CG2 3.98Å
46	V	32.1	Very low	43	Very low	113 Å²	113	96.1 Å²	96.1	69%	0.685	53%	0.525	S	S	*	.			trans	-77.6	93.6	-176.8	-170.6	0	0	0	0	107.3	V44	V44-V46 WeakPolarHBondContact O-CG2 3.48Å; V44-V46 PolarHBondContact O-N 2.89Å
47	G	28.2	Very low	40.7	Very low	20 Å²	20	102.3 Å²	102.3	21%	0.206	55%	0.551	C	S	.	*			trans	-57.6	133.8	164.8	0	0	0	0	0	109.6	L45 H49	L45-G47 PolarHBondContact O-N 3.1Å; G47-H49 PolarHBondContact O-N 2.95Å
48	H	26.2	Very low	38.8	Very low	162 Å²	162	105.5 Å²	105.5	75%	0.75	57%	0.57	S	S	*	*			trans	-60	116.3	177.1	-100.8	-10.5	0	0	0	111.1	I50	H48-I50 PolarHBondContact O-N 2.79Å; H48-I50 VanDerWaalsContact O-N 3.16Å
49	H	24.7	Very low	36.7	Very low	162 Å²	162	106.2 Å²	106.2	75%	0.75	59%	0.587	S	S	*	*			trans	-66.6	103.6	165.6	-103.4	-78.9	0	0	0	109.6	G47	G47-H49 PolarHBondContact O-N 2.95Å
50	I	25.4	Very low	34.4	Very low	137 Å²	137	114.8 Å²	114.8	70%	0.703	63%	0.627	S	S	*	*			trans	-96.4	95.6	155.4	-59	178.4	0	0	0	106.3	H48 N52	H48-I50 PolarHBondContact O-N 2.79Å; H48-I50 VanDerWaalsContact O-N 3.16Å; I50-N52 PolarHBondContact O-N 3.11Å; I50-N52 VanDerWaalsContact O-N 3.09Å
51	T	23.6	Very low	33.2	Very low	111 Å²	111	116.9 Å²	116.9	68%	0.681	64%	0.638	S	S	*	*			trans	-68.2	99.2	171.3	49.6	0	0	0	0	109.2
52	N	26.5	Very low	32.1	Very low	147 Å²	147	117.2 Å²	117.2	79%	0.786	65%	0.646	S	S	*	*			trans	-106.3	92.5	156.7	-90.4	-15.3	0	0	0	108	I50 N54	I50-N52 PolarHBondContact O-N 3.11Å; I50-N52 VanDerWaalsContact O-N 3.09Å; N52-N54 PolarHBondContact O-N 3.35Å
53	S	24.6	Very low	31.8	Very low	110 Å²	110	117.5 Å²	117.5	77%	0.769	65%	0.651	S	S	*	*			trans	-71.1	91	167.9	54.7	0	0	0	0	109
54	N	28.2	Very low	32.1	Very low	144 Å²	144	115.6 Å²	115.6	77%	0.77	65%	0.646	S	S	*	*			trans	-134.8	85.6	157.5	-87.6	-27.8	0	0	0	107.3	N52 T56	N52-N54 PolarHBondContact O-N 3.35Å; N54-T56 PolarHBondContact O-N 3.24Å
55	S	28.2	Very low	33.2	Very low	124 Å²	124	119.5 Å²	119.5	87%	0.867	66%	0.662	S	S	*	*			trans	-65.7	84.3	169.6	55.1	0	0	0	0	108.8
56	T	28.9	Very low	35.2	Very low	105 Å²	105	118.7 Å²	118.7	64%	0.644	66%	0.657	S	S	*	*			trans	-78	126.7	163.1	27.1	0	0	0	0	106.8	N54 D58	N54-T56 PolarHBondContact O-N 3.24Å; T56-D58 PolarHBondContact O-N 2.82Å
57	K	28.3	Very low	38	Very low	216 Å²	216	115.3 Å²	115.3	94%	0.939	63%	0.634	S	S	*	*			trans	-66.5	83	176.4	-75.6	-179.8	173.2	-179.1	0	108.3
58	D	39.1	Very low	41.2	Very low	105 Å²	105	114.6 Å²	114.6	56%	0.561	63%	0.625	S	S	*	*			trans	-73.2	127.4	172.3	-79.1	-26.7	0	0	0	109	T56 E60	T56-D58 PolarHBondContact O-N 2.82Å; D58-E60 PolarHBondContact O-N 2.56Å
59	S	34.5	Very low	44.5	Very low	101 Å²	101	107.2 Å²	107.2	71%	0.706	59%	0.592	S	S	*	*			trans	-42.2	120.2	-175.9	48.9	0	0	0	0	113	V61	S59-V61 VanDerWaalsContact C-N 3.29Å; S59-V61 PolarHBondContact O-N 3.05Å
60	E	32.3	Very low	48	Very low	195 Å²	195	100 Å²	100	91%	0.911	56%	0.559	S	S	*	*			trans	-59.3	87.6	168.8	-70.6	178.4	166.8	0	0	109.7	D58 S62	D58-E60 PolarHBondContact O-N 2.56Å; E60-S62 VanDerWaalsContact C-N 3.3Å; E60-S62 PolarHBondContact O-N 2.92Å; E60-S62 VanDerWaalsContact O-N 3.08Å
61	V	38.3	Very low	51.4	Low	113 Å²	113	94.8 Å²	94.8	69%	0.685	53%	0.531	S	S	*	.			trans	-72.7	99.5	157.3	180	0	0	0	0	104.8	S59 T63	S59-V61 VanDerWaalsContact C-N 3.29Å; S59-V61 PolarHBondContact O-N 3.05Å; V61-T63 PolarHBondContact O-N 2.82Å
62	S	35.2	Very low	54.9	Low	75 Å²	75	89.9 Å²	89.9	52%	0.524	50%	0.501	S	S	.	.			trans	-42.7	129.5	175.5	60.9	0	0	0	0	109.9	E60 N64	E60-S62 VanDerWaalsContact C-N 3.3Å; E60-S62 PolarHBondContact O-N 2.92Å; E60-S62 VanDerWaalsContact O-N 3.08Å; S62-N64 PolarHBondContact O-N 2.75Å; S62-N64 PolarHBondContact OG-ND2 2.82Å
63	T	43.9	Very low	58.3	Low	80 Å²	80	83.5 Å²	83.5	49%	0.491	47%	0.466	S	S	.	.			trans	-69.9	42	175.9	54.4	0	0	0	0	112.3	V61 E65	V61-T63 PolarHBondContact O-N 2.82Å; T63-E65 PolarHBondContact O-N 3.41Å
64	N	48	Very low	61.7	Low	128 Å²	128	81.5 Å²	81.5	68%	0.684	44%	0.441	S	S	*	.			trans	-55	134.4	167.6	-77	-17.1	0	0	0	107.7	S62 N66	S62-N64 PolarHBondContact O-N 2.75Å; S62-N64 PolarHBondContact OG-ND2 2.82Å; N64-N66 PolarHBondContact O-N 3.05Å
65	E	61.6	Low	64.8	Low	123 Å²	123	74.8 Å²	74.8	58%	0.575	41%	0.406	S	S	*	.			trans	-50.3	111.4	-179.2	-77.2	-170.9	150	0	0	109.6	T63 F67 K204	T63-E65 PolarHBondContact O-N 3.41Å; E65-F67 PolarHBondContact O-N 2.72Å; E65-K204 PolarHBondContact OE1-N 3.23Å
66	N	82.4	Confident	67.7	Low	22 Å²	22	73.8 Å²	73.8	12%	0.118	40%	0.399	C	S	.	.			trans	-61.2	131.6	175.2	174.2	-16.8	0	0	0	109.2	N64 Y68 G69 I70 Y71 P84 Y464	N64-N66 PolarHBondContact O-N 3.05Å; N66-Y68 PolarHBondContact O-N 3.41Å; N66-Y68 VanDerWaalsContact O-N 3.08Å; N66-Y68 PolarHBondContact OD1-N 3.14Å; N66-G69 PolarHBondContact O-N 2.99Å; N66-I70 PolarHBondContact ND2-O 3.19Å; N66-Y71 HydrophobicContact CB-CE1 3.83Å; N66-Y71 HydrophobicContact CB-CE2 4.22Å; N66-Y71 VanDerWaalsContact CB-CZ 3.48Å; N66-Y71 WeakPolarHBondContact CB-OH 3.47Å; N66-Y71 PolarHBondContact N-OH 3.5Å; N66-P84 WeakPolarHBondContact ND2-CB 3.35Å; N66-P84 VanDerWaalsContact ND2-CG 3.3Å; N66-P84 WeakPolarHBondContact ND2-CG 3.34Å; N66-Y464 PolarHBondContact ND2-OH 3.07Å; N66-Y464 VanDerWaalsContact ND2-OH 3.15Å; N66-Y464 WeakPolarHBondContact OD1-CE1 3.06Å; N66-Y464 PolarHBondContact OD1-OH 2.88Å
67	F	90.1	Very high	70.6	Confident	42 Å²	42	71.9 Å²	71.9	18%	0.184	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-38.5	179.7	-179	-109.8	0	0	0	114.7	E65 Y448 S465 L473	E65-F67 PolarHBondContact O-N 2.72Å; F67-Y448 HydrophobicContact CD1-CD1 4.14Å; F67-Y448 AromaticContact CE1-CD1 3.54Å; F67-Y448 HydrophobicContact CE1-CD1 3.54Å; F67-Y448 HydrophobicContact CE1-CE1 4.39Å; F67-Y448 HydrophobicContact CE1-CG 4.18Å; F67-Y448 AromaticContact CZ-CD1 3.8Å; F67-Y448 HydrophobicContact CZ-CD1 3.8Å; F67-Y448 HydrophobicContact CZ-CG 4.48Å; F67-S465 WeakPolarHBondContact CB-O 3.24Å; F67-L473 HydrophobicContact CE1-CD2 4.4Å
68	Y	95.2	Very high	73.5	Confident	4 Å²	4	63 Å²	63	2%	0.016	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-17.5	175.8	-61.4	-73.6	0	0	0	113	N66 I70 F443 Y448 F455 Y464 S465 L473 P474 F475	N66-Y68 PolarHBondContact O-N 3.41Å; N66-Y68 VanDerWaalsContact O-N 3.08Å; N66-Y68 PolarHBondContact OD1-N 3.14Å; Y68-I70 PolarHBondContact O-N 2.97Å; Y68-F443 WeakPolarHBondContact O-CE1 3.39Å; Y68-Y448 AromaticContact CD1-CD1 3.7Å; Y68-Y448 HydrophobicContact CD1-CD1 3.7Å; Y68-Y448 HydrophobicContact CD1-CD2 4.17Å; Y68-Y448 AromaticContact CD1-CE1 3.38Å; Y68-Y448 HydrophobicContact CD1-CE1 3.38Å; Y68-Y448 AromaticContact CD1-CE2 3.89Å; Y68-Y448 HydrophobicContact CD1-CE2 3.89Å; Y68-Y448 HydrophobicContact CD1-CG 4.1Å; Y68-Y448 AromaticContact CD1-CZ 3.49Å; Y68-Y448 VanDerWaalsContact CD1-CZ 3.49Å; Y68-Y448 AromaticContact CE1-CD1 3.67Å; Y68-Y448 HydrophobicContact CE1-CD1 3.67Å; Y68-Y448 AromaticContact CE1-CD2 3.99Å; Y68-Y448 HydrophobicContact CE1-CD2 3.99Å; Y68-Y448 AromaticContact CE1-CE1 3.87Å; Y68-Y448 HydrophobicContact CE1-CE1 3.87Å; Y68-Y448 HydrophobicContact CE1-CE2 4.18Å; Y68-Y448 AromaticContact CE1-CG 3.74Å; Y68-Y448 HydrophobicContact CE1-CG 3.74Å; Y68-Y448 HydrophobicContact CG-CE1 4.3Å; Y68-F455 HydrophobicContact CE1-CD1 4.38Å; Y68-F455 AromaticContact CE1-CE1 3.81Å; Y68-F455 HydrophobicContact CE1-CE1 3.81Å; Y68-Y464 AromaticContact CD2-CE1 3.92Å; Y68-Y464 HydrophobicContact CD2-CE1 3.92Å; Y68-Y464 AromaticContact CD2-CZ 3.82Å; Y68-Y464 WeakPolarHBondContact CD2-OH 3.37Å; Y68-Y464 HydrophobicContact CE2-CE1 4.34Å; Y68-S465 PolarHBondContact OH-OG 3.02Å; Y68-L473 WeakPolarHBondContact OH-CB 3.23Å; Y68-P474 WeakPolarHBondContact CE2-O 3.32Å; Y68-F475 AromaticContact CD1-CD2 3.88Å; Y68-F475 HydrophobicContact CD1-CD2 3.88Å; Y68-F475 AromaticContact CD1-CE2 3.89Å; Y68-F475 HydrophobicContact CD1-CE2 3.89Å; Y68-F475 HydrophobicContact CD2-CD2 4.15Å; Y68-F475 HydrophobicContact CD2-CE2 4.49Å; Y68-F475 AromaticContact CE1-CD2 3.92Å; Y68-F475 HydrophobicContact CE1-CD2 3.92Å; Y68-F475 HydrophobicContact CE1-CE2 4.36Å; Y68-F475 HydrophobicContact CE2-CD2 4.14Å; Y68-F475 HydrophobicContact CG-CD2 4.03Å; Y68-F475 AromaticContact CG-CE2 3.99Å; Y68-F475 HydrophobicContact CG-CE2 3.99Å
69	G	95.8	Very high	75.8	Confident	7 Å²	7	66.2 Å²	66.2	7%	0.072	37%	0.373	C	S	.	.			trans	69.4	15	-172.3	0	0	0	0	0	113.9	N66 Y71 W200 M201	N66-G69 PolarHBondContact O-N 2.99Å; G69-Y71 WeakPolarHBondContact O-CD2 3.5Å; G69-Y71 WeakPolarHBondContact O-CE2 3.24Å; G69-W200 CarbonylContact O-C 3.57Å; G69-W200 VanDerWaalsContact O-CA 3.29Å; G69-W200 WeakPolarHBondContact O-CA 3.46Å; G69-M201 PolarHBondContact O-N 2.72Å
70	I	96.9	Very high	78.5	Confident	10 Å²	10	62 Å²	62	5%	0.051	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	134.8	-178.2	-166.3	174.7	0	0	0	112.2	N66 Y68 I199 F410 F443 F475 P476	N66-I70 PolarHBondContact ND2-O 3.19Å; Y68-I70 PolarHBondContact O-N 2.97Å; I70-I199 CarbonylContact C-O 3.6Å; I70-I199 WeakPolarHBondContact CA-O 3.44Å; I70-F410 HydrophobicContact CD1-CD1 3.95Å; I70-F410 HydrophobicContact CD1-CE1 3.6Å; I70-F443 HydrophobicContact CB-CE1 4.33Å; I70-F443 HydrophobicContact CB-CZ 3.97Å; I70-F443 HydrophobicContact CD1-CE2 3.99Å; I70-F443 HydrophobicContact CD1-CZ 4.04Å; I70-F443 HydrophobicContact CG1-CZ 4.27Å; I70-F475 HydrophobicContact CD1-CE1 4.22Å; I70-F475 HydrophobicContact CD1-CZ 3.91Å; I70-F475 HydrophobicContact CG2-CZ 4.33Å; I70-P476 HydrophobicContact CG2-CG 3.55Å
71	Y	97.2	Very high	81.1	Confident	28 Å²	28	55.5 Å²	55.5	11%	0.11	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	155.3	-178	-53.2	-95.4	0	0	0	110.4	N66 G69 P84 I86 I199 M201	N66-Y71 HydrophobicContact CB-CE1 3.83Å; N66-Y71 HydrophobicContact CB-CE2 4.22Å; N66-Y71 VanDerWaalsContact CB-CZ 3.48Å; N66-Y71 WeakPolarHBondContact CB-OH 3.47Å; N66-Y71 PolarHBondContact N-OH 3.5Å; G69-Y71 WeakPolarHBondContact O-CD2 3.5Å; G69-Y71 WeakPolarHBondContact O-CE2 3.24Å; Y71-P84 CarbonylContact C-O 3.58Å; Y71-P84 WeakPolarHBondContact CA-O 3.29Å; Y71-P84 HydrophobicContact CD1-CB 3.61Å; Y71-P84 HydrophobicContact CE1-CB 4.04Å; Y71-P84 HydrophobicContact CG-CB 4.43Å; Y71-I86 HydrophobicContact CD1-CB 4.19Å; Y71-I86 HydrophobicContact CD1-CG2 4.46Å; Y71-I86 HydrophobicContact CD2-CG2 4.44Å; Y71-I86 HydrophobicContact CG-CB 4.19Å; Y71-I86 HydrophobicContact CG-CG2 3.95Å; Y71-I199 PolarHBondContact N-O 2.73Å; Y71-I199 PolarHBondContact O-N 3.24Å; Y71-M201 HydrophobicContact CD2-CG 4.34Å; Y71-M201 HydrophobicContact CD2-SD 4.26Å; Y71-M201 HydrophobicContact CE2-CB 4.31Å; Y71-M201 HydrophobicContact CE2-CG 4.17Å; Y71-M201 HydrophobicContact CE2-SD 3.94Å
72	L	97.2	Very high	83.4	Confident	9 Å²	9	55.8 Å²	55.8	5%	0.047	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	154.5	157.2	-57.9	-173.8	0	0	0	110.6	R74 Y80 I83 P84 T85 I86 T196 Q197 I394 P478	L72-R74 PolarHBondContact O-N 2.85Å; L72-Y80 HydrophobicContact CB-CE1 4.26Å; L72-Y80 HydrophobicContact CD1-CD1 4.07Å; L72-Y80 HydrophobicContact CD1-CE1 3.98Å; L72-I83 HydrophobicContact CB-CG2 4.45Å; L72-I83 HydrophobicContact CD1-CG2 3.72Å; L72-I83 HydrophobicContact CG-CG2 3.74Å; L72-P84 PolarHBondContact N-O 3.02Å; L72-T85 HydrophobicContact CB-CG2 4.41Å; L72-T85 CarbonylContact O-C 3.49Å; L72-T85 WeakPolarHBondContact O-CA 3.07Å; L72-I86 PolarHBondContact O-N 2.85Å; L72-T196 HydrophobicContact CD1-CG2 4.45Å; L72-Q197 CarbonylContact C-O 3.55Å; L72-Q197 VanDerWaalsContact CA-O 3.28Å; L72-Q197 WeakPolarHBondContact CA-O 3.48Å; L72-I394 HydrophobicContact CD2-CD1 4.07Å; L72-P478 HydrophobicContact CD1-CB 4.3Å; L72-P478 HydrophobicContact CD2-CB 3.88Å
73	F	97.5	Very high	86.1	Confident	13 Å²	13	53 Å²	53	6%	0.057	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	131.7	167.6	175	-111.7	0	0	0	110.2	V75 Y80 I86 T87 W192 D193 Q197 I199	F73-V75 HydrophobicContact CD1-CG2 4.04Å; F73-V75 HydrophobicContact CE1-CG2 4.23Å; F73-V75 PolarHBondContact O-N 2.79Å; F73-Y80 PolarHBondContact O-OH 3.35Å; F73-I86 WeakPolarHBondContact CA-O 3.27Å; F73-I86 WeakPolarHBondContact CD2-O 3.4Å; F73-T87 HydrophobicContact CE2-CG2 4.4Å; F73-W192 AromaticContact CD2-CE3 3.45Å; F73-W192 HydrophobicContact CD2-CE3 3.45Å; F73-W192 VanDerWaalsContact CD2-CE3 3.45Å; F73-W192 AromaticContact CD2-CZ3 3.83Å; F73-W192 HydrophobicContact CD2-CZ3 3.83Å; F73-W192 WeakPolarHBondContact CE1-O 3.4Å; F73-W192 AromaticContact CE2-CE3 3.75Å; F73-W192 HydrophobicContact CE2-CE3 3.75Å; F73-W192 HydrophobicContact CE2-CZ3 4.45Å; F73-W192 HydrophobicContact CG-CE3 4.07Å; F73-W192 HydrophobicContact CG-CZ3 4.47Å; F73-W192 VanDerWaalsContact CZ-C 3.43Å; F73-W192 HydrophobicContact CZ-CB 4.41Å; F73-W192 WeakPolarHBondContact CZ-O 3.31Å; F73-D193 WeakPolarHBondContact CE1-O 3.44Å; F73-Q197 HydrophobicContact CB-CB 3.83Å; F73-Q197 HydrophobicContact CB-CG 4.25Å; F73-Q197 PolarHBondContact N-O 3.24Å; F73-I199 HydrophobicContact CB-CD1 3.99Å
74	R	95.8	Very high	88.4	Confident	67 Å²	67	50.4 Å²	50.4	25%	0.253	28%	0.282	S	S	.	.			trans	-80	99.4	179	-165.6	-176.8	-54.7	143.6	12.9	110.5	L72 T85 I86 T87 E90	L72-R74 PolarHBondContact O-N 2.85Å; R74-T85 PolarHBondContact NE-OG1 3.16Å; R74-T85 PolarHBondContact NH2-O 3.12Å; R74-I86 PolarHBondContact N-O 3.47Å; R74-T87 HydrophobicContact CB-CG2 3.94Å; R74-E90 IonicContact CZ-OE1 3.7Å; R74-E90 IonicContact CZ-OE2 2.77Å; R74-E90 IonicContact NH1-OE1 2.69Å; R74-E90 PolarHBondContact NH1-OE1 3.24Å; R74-E90 IonicContact NH1-OE2 3.72Å; R74-E90 PolarHBondContact NH1-OE2 2.89Å; R74-E90 IonicContact NH2-OE1 2.85Å; R74-E90 PolarHBondContact NH2-OE1 3.23Å; R74-E90 IonicContact NH2-OE2 3.14Å; R74-E90 PolarHBondContact NH2-OE2 3.05Å; R74-E90 VanDerWaalsContact NH2-OE2 3.13Å
75	V	93.6	Very high	90.7	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.024	26%	0.258	C	S	.	.			trans	-72.7	130.3	170.3	177.7	0	0	0	0	109.6	F73 G77 V78 Y80 L353 A390	F73-V75 HydrophobicContact CD1-CG2 4.04Å; F73-V75 HydrophobicContact CE1-CG2 4.23Å; F73-V75 PolarHBondContact O-N 2.79Å; V75-G77 PolarHBondContact O-N 3.06Å; V75-V78 HydrophobicContact CB-CB 4.26Å; V75-V78 HydrophobicContact CB-CG2 3.91Å; V75-V78 HydrophobicContact CG1-CG2 3.71Å; V75-V78 PolarHBondContact O-N 3.03Å; V75-Y80 WeakPolarHBondContact CB-OH 3.44Å; V75-Y80 VanDerWaalsContact CG2-OH 3.31Å; V75-Y80 WeakPolarHBondContact CG2-OH 3.36Å; V75-Y80 PolarHBondContact N-OH 3.03Å; V75-L353 HydrophobicContact CG1-CD1 3.86Å; V75-A390 HydrophobicContact CG2-CB 4.25Å
76	S	90.1	Very high	92.4	Very high	103 Å²	103	40.2 Å²	40.2	72%	0.72	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	134	179.7	-173.9	0	0	0	0	111.7	V78	S76-V78 VanDerWaalsContact C-N 3.27Å; S76-V78 PolarHBondContact O-N 3.47Å
77	G	89.1	Confident	93	Very high	65 Å²	65	40.8 Å²	40.8	67%	0.67	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	77	1.2	179.9	0	0	0	0	0	115.8	V75	V75-G77 PolarHBondContact O-N 3.06Å
78	V	89.2	Confident	93.3	Very high	29 Å²	29	39 Å²	39	18%	0.176	23%	0.229	C	C	.	.			trans	-100.4	131.9	179.1	179.8	0	0	0	0	111	V75 S76 Y80 L353 H387	V75-V78 HydrophobicContact CB-CB 4.26Å; V75-V78 HydrophobicContact CB-CG2 3.91Å; V75-V78 HydrophobicContact CG1-CG2 3.71Å; V75-V78 PolarHBondContact O-N 3.03Å; S76-V78 VanDerWaalsContact C-N 3.27Å; S76-V78 PolarHBondContact O-N 3.47Å; V78-Y80 HydrophobicContact CB-CD2 4.29Å; V78-Y80 HydrophobicContact CB-CE2 3.68Å; V78-Y80 HydrophobicContact CG1-CD2 3.95Å; V78-Y80 HydrophobicContact CG1-CE1 4.48Å; V78-Y80 HydrophobicContact CG1-CE2 3.53Å; V78-Y80 WeakPolarHBondContact O-CD2 3.3Å; V78-L353 HydrophobicContact CG2-CD1 4.17Å; V78-H387 HydrophobicContact CG1-CB 3.56Å
79	K	88.9	Confident	93.3	Very high	172 Å²	172	44.7 Å²	44.7	75%	0.748	25%	0.254	S	S	*	.			trans	-99	97.9	-178.2	-65.5	-176.8	-179.4	180	0	111.7	G81 N386	K79-G81 VanDerWaalsContact C-N 3.25Å; K79-G81 PolarHBondContact O-N 3.32Å; K79-N386 WeakPolarHBondContact O-CB 3.29Å; K79-N386 PolarHBondContact O-ND2 3.3Å
80	Y	90.2	Very high	93.3	Very high	14 Å²	14	46.9 Å²	46.9	6%	0.055	26%	0.262	C	S	.	.			trans	-78	1.2	-175.7	-71.5	-95.8	0	0	0	115.6	L72 F73 V75 V78 K82 I83 T85 H387	L72-Y80 HydrophobicContact CB-CE1 4.26Å; L72-Y80 HydrophobicContact CD1-CD1 4.07Å; L72-Y80 HydrophobicContact CD1-CE1 3.98Å; F73-Y80 PolarHBondContact O-OH 3.35Å; V75-Y80 WeakPolarHBondContact CB-OH 3.44Å; V75-Y80 VanDerWaalsContact CG2-OH 3.31Å; V75-Y80 WeakPolarHBondContact CG2-OH 3.36Å; V75-Y80 PolarHBondContact N-OH 3.03Å; V78-Y80 HydrophobicContact CB-CD2 4.29Å; V78-Y80 HydrophobicContact CB-CE2 3.68Å; V78-Y80 HydrophobicContact CG1-CD2 3.95Å; V78-Y80 HydrophobicContact CG1-CE1 4.48Å; V78-Y80 HydrophobicContact CG1-CE2 3.53Å; V78-Y80 WeakPolarHBondContact O-CD2 3.3Å; Y80-K82 PolarHBondContact O-N 3.29Å; Y80-I83 PolarHBondContact O-N 3.12Å; Y80-T85 HydrophobicContact CD1-CG2 3.78Å; Y80-T85 HydrophobicContact CD2-CG2 3.61Å; Y80-T85 HydrophobicContact CE1-CG2 4.34Å; Y80-T85 HydrophobicContact CE2-CG2 4.19Å; Y80-T85 HydrophobicContact CG-CG2 3.36Å; Y80-H387 HydrophobicContact CD1-CB 4.12Å; Y80-H387 AromaticContact CD1-CG 3.83Å; Y80-H387 AromaticContact CD1-ND1 3.46Å; Y80-H387 WeakPolarHBondContact CD1-ND1 3.38Å; Y80-H387 HydrophobicContact CE1-CB 3.54Å; Y80-H387 AromaticContact CE1-CD2 3.96Å; Y80-H387 AromaticContact CE1-CG 3.43Å; Y80-H387 VanDerWaalsContact CE1-CG 3.43Å; Y80-H387 AromaticContact CE1-ND1 3.59Å
81	G	87.1	Confident	93.3	Very high	57 Å²	57	46.4 Å²	46.4	59%	0.588	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	-119.6	-178.4	0	0	0	0	0	111.4	K79	K79-G81 VanDerWaalsContact C-N 3.25Å; K79-G81 PolarHBondContact O-N 3.32Å
82	K	87	Confident	93.2	Very high	119 Å²	119	45.2 Å²	45.2	52%	0.517	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-6.5	-179.4	-63.5	-62.3	-175.3	-177.4	0	114.2	Y80 P84 L458 N460	Y80-K82 PolarHBondContact O-N 3.29Å; K82-P84 WeakPolarHBondContact O-CD 3.43Å; K82-L458 HydrophobicContact CB-CD2 3.99Å; K82-L458 HydrophobicContact CB-CG 4.42Å; K82-N460 VanDerWaalsContact CG-O 3.28Å; K82-N460 WeakPolarHBondContact CG-O 3.44Å
83	I	91.1	Very high	92.9	Very high	18 Å²	18	48.4 Å²	48.4	9%	0.092	27%	0.272	C	S	.	.	S	Bend	trans	-68.3	123.4	177.8	-63	171.6	0	0	0	108.3	L72 Y80 T85 F385 P476	L72-I83 HydrophobicContact CB-CG2 4.45Å; L72-I83 HydrophobicContact CD1-CG2 3.72Å; L72-I83 HydrophobicContact CG-CG2 3.74Å; Y80-I83 PolarHBondContact O-N 3.12Å; I83-T85 PolarHBondContact O-N 3.2Å; I83-F385 HydrophobicContact CD1-CD2 4.19Å; I83-F385 HydrophobicContact CD1-CE2 4.36Å; I83-P476 HydrophobicContact CG1-CB 4.48Å; I83-P476 HydrophobicContact CG2-CB 4.32Å
84	P	93.1	Very high	92.1	Very high	25 Å²	25	48.8 Å²	48.8	16%	0.162	28%	0.276	C	S	.	.			trans	-61.7	134.9	177.3	-24.5	36.5	0	0	0	110.8	N66 Y71 L72 K82 Y464	N66-P84 WeakPolarHBondContact ND2-CB 3.35Å; N66-P84 VanDerWaalsContact ND2-CG 3.3Å; N66-P84 WeakPolarHBondContact ND2-CG 3.34Å; Y71-P84 CarbonylContact C-O 3.58Å; Y71-P84 WeakPolarHBondContact CA-O 3.29Å; Y71-P84 HydrophobicContact CD1-CB 3.61Å; Y71-P84 HydrophobicContact CE1-CB 4.04Å; Y71-P84 HydrophobicContact CG-CB 4.43Å; L72-P84 PolarHBondContact N-O 3.02Å; K82-P84 WeakPolarHBondContact O-CD 3.43Å; P84-Y464 HydrophobicContact CG-CD2 4.21Å; P84-Y464 HydrophobicContact CG-CE1 4.4Å; P84-Y464 HydrophobicContact CG-CE2 3.55Å
85	T	95.5	Very high	91.3	Very high	29 Å²	29	50.9 Å²	50.9	18%	0.178	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	151.2	179.1	63.8	0	0	0	0	112.6	L72 R74 Y80 I83	L72-T85 HydrophobicContact CB-CG2 4.41Å; L72-T85 CarbonylContact O-C 3.49Å; L72-T85 WeakPolarHBondContact O-CA 3.07Å; R74-T85 PolarHBondContact NE-OG1 3.16Å; R74-T85 PolarHBondContact NH2-O 3.12Å; Y80-T85 HydrophobicContact CD1-CG2 3.78Å; Y80-T85 HydrophobicContact CD2-CG2 3.61Å; Y80-T85 HydrophobicContact CE1-CG2 4.34Å; Y80-T85 HydrophobicContact CE2-CG2 4.19Å; Y80-T85 HydrophobicContact CG-CG2 3.36Å; I83-T85 PolarHBondContact O-N 3.2Å
86	I	96.5	Very high	90.5	Very high	8 Å²	8	52 Å²	52	4%	0.041	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	152.4	179.5	-160.9	167.8	0	0	0	110.9	Y71 L72 F73 R74 E90 I91 I199 M201	Y71-I86 HydrophobicContact CD1-CB 4.19Å; Y71-I86 HydrophobicContact CD1-CG2 4.46Å; Y71-I86 HydrophobicContact CD2-CG2 4.44Å; Y71-I86 HydrophobicContact CG-CB 4.19Å; Y71-I86 HydrophobicContact CG-CG2 3.95Å; L72-I86 PolarHBondContact O-N 2.85Å; F73-I86 WeakPolarHBondContact CA-O 3.27Å; F73-I86 WeakPolarHBondContact CD2-O 3.4Å; R74-I86 PolarHBondContact N-O 3.47Å; I86-E90 HydrophobicContact CD1-CB 4.35Å; I86-E90 HydrophobicContact CG1-CB 3.78Å; I86-I91 HydrophobicContact CD1-CG1 3.58Å; I86-I91 HydrophobicContact CG1-CG1 3.93Å; I86-I91 HydrophobicContact CG2-CD1 4.01Å; I86-I91 HydrophobicContact CG2-CG1 4.18Å; I86-I199 HydrophobicContact CG2-CB 4.44Å; I86-I199 HydrophobicContact CG2-CD1 4.22Å; I86-I199 HydrophobicContact CG2-CG1 4.44Å; I86-M201 HydrophobicContact CD1-CE 4.38Å; I86-M201 HydrophobicContact CD1-SD 3.54Å; I86-M201 VanDerWaalsContact CD1-SD 3.54Å
87	T	96.3	Very high	90.1	Very high	34 Å²	34	48.9 Å²	48.9	21%	0.209	29%	0.291	C	S	.	.			trans	-102.5	158	172.9	63.4	0	0	0	0	111	F73 R74 K89 E90 I91	F73-T87 HydrophobicContact CE2-CG2 4.4Å; R74-T87 HydrophobicContact CB-CG2 3.94Å; T87-K89 PolarHBondContact O-N 2.74Å; T87-E90 WeakPolarHBondContact CB-OE2 3.36Å; T87-E90 WeakPolarHBondContact CG2-OE2 3.1Å; T87-E90 PolarHBondContact N-OE2 3.41Å; T87-E90 PolarHBondContact O-N 2.83Å; T87-E90 WeakPolarHBondContact OG1-CB 3.2Å; T87-E90 VanDerWaalsContact OG1-CD 3.28Å; T87-E90 WeakPolarHBondContact OG1-CG 3.15Å; T87-E90 PolarHBondContact OG1-N 2.78Å; T87-E90 VanDerWaalsContact OG1-N 3.14Å; T87-E90 PolarHBondContact OG1-OE2 3.24Å; T87-I91 WeakPolarHBondContact O-CG1 3.37Å; T87-I91 PolarHBondContact O-N 3.33Å
88	L	96.9	Very high	90.2	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-58.9	-38.3	174.2	-178.6	56.1	0	0	0	112	E90 I91 L92 W113 Q117 M170 M187 W192	L88-E90 PolarHBondContact O-N 3.44Å; L88-I91 WeakPolarHBondContact O-CB 3.42Å; L88-I91 PolarHBondContact O-N 2.74Å; L88-L92 HydrophobicContact CD1-CD1 3.88Å; L88-L92 HydrophobicContact CD1-CG 3.97Å; L88-L92 HydrophobicContact CG-CD1 3.92Å; L88-L92 HydrophobicContact CG-CG 4.37Å; L88-L92 WeakPolarHBondContact O-CG 3.47Å; L88-L92 PolarHBondContact O-N 3.02Å; L88-W113 HydrophobicContact CD2-CH2 3.57Å; L88-W113 HydrophobicContact CD2-CZ2 4.32Å; L88-W113 HydrophobicContact CD2-CZ3 4.2Å; L88-Q117 HydrophobicContact CD2-CB 4Å; L88-Q117 HydrophobicContact CD2-CG 3.79Å; L88-Q117 HydrophobicContact CG-CB 4.19Å; L88-Q117 HydrophobicContact CG-CG 4.46Å; L88-M170 HydrophobicContact CD1-CE 3.9Å; L88-M187 HydrophobicContact CD1-CE 4.17Å; L88-M187 HydrophobicContact CD2-CE 3.81Å; L88-W192 HydrophobicContact CB-CD2 3.99Å; L88-W192 HydrophobicContact CB-CE3 3.69Å; L88-W192 HydrophobicContact CB-CH2 4.41Å; L88-W192 HydrophobicContact CB-CZ3 3.93Å; L88-W192 HydrophobicContact CD1-CH2 4.12Å; L88-W192 HydrophobicContact CD1-CZ2 4.08Å; L88-W192 HydrophobicContact CD1-CZ3 4.47Å; L88-W192 HydrophobicContact CD2-CD2 4Å; L88-W192 HydrophobicContact CD2-CG 4.14Å; L88-W192 HydrophobicContact CD2-CZ2 4.46Å; L88-W192 HydrophobicContact CG-CD2 4.47Å
89	K	95.3	Very high	90.6	Very high	123 Å²	123	49.4 Å²	49.4	54%	0.535	28%	0.275	S	S	.	.	H	α-helix	trans	-64.3	-39.4	176.8	-69.7	-175	178.6	177.8	0	112.4	T87 L92 N93 Q117	T87-K89 PolarHBondContact O-N 2.74Å; K89-L92 PolarHBondContact O-N 3.41Å; K89-N93 WeakPolarHBondContact O-CB 3.47Å; K89-N93 PolarHBondContact O-N 3.23Å; K89-Q117 VanDerWaalsContact CE-OE1 3.22Å
90	E	95.2	Very high	91	Very high	53 Å²	53	43.7 Å²	43.7	25%	0.248	25%	0.254	C	S	.	.	H	α-helix	trans	-65.6	-37.9	173.8	-74	162.6	143.2	0	0	111.9	R74 I86 T87 L88 N93 S94	R74-E90 IonicContact CZ-OE1 3.7Å; R74-E90 IonicContact CZ-OE2 2.77Å; R74-E90 IonicContact NH1-OE1 2.69Å; R74-E90 PolarHBondContact NH1-OE1 3.24Å; R74-E90 IonicContact NH1-OE2 3.72Å; R74-E90 PolarHBondContact NH1-OE2 2.89Å; R74-E90 IonicContact NH2-OE1 2.85Å; R74-E90 PolarHBondContact NH2-OE1 3.23Å; R74-E90 IonicContact NH2-OE2 3.14Å; R74-E90 PolarHBondContact NH2-OE2 3.05Å; R74-E90 VanDerWaalsContact NH2-OE2 3.13Å; I86-E90 HydrophobicContact CD1-CB 4.35Å; I86-E90 HydrophobicContact CG1-CB 3.78Å; T87-E90 WeakPolarHBondContact CB-OE2 3.36Å; T87-E90 WeakPolarHBondContact CG2-OE2 3.1Å; T87-E90 PolarHBondContact N-OE2 3.41Å; T87-E90 PolarHBondContact O-N 2.83Å; T87-E90 WeakPolarHBondContact OG1-CB 3.2Å; T87-E90 VanDerWaalsContact OG1-CD 3.28Å; T87-E90 WeakPolarHBondContact OG1-CG 3.15Å; T87-E90 PolarHBondContact OG1-N 2.78Å; T87-E90 VanDerWaalsContact OG1-N 3.14Å; T87-E90 PolarHBondContact OG1-OE2 3.24Å; L88-E90 PolarHBondContact O-N 3.44Å; E90-N93 CarbonylContact O-C 3.57Å; E90-S94 PolarHBondContact O-N 2.98Å
91	I	96	Very high	91.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-46.3	174.6	-65	167.2	0	0	0	110.8	I86 T87 L88 M170 L172 I181 W192 I199 M201	I86-I91 HydrophobicContact CD1-CG1 3.58Å; I86-I91 HydrophobicContact CG1-CG1 3.93Å; I86-I91 HydrophobicContact CG2-CD1 4.01Å; I86-I91 HydrophobicContact CG2-CG1 4.18Å; T87-I91 WeakPolarHBondContact O-CG1 3.37Å; T87-I91 PolarHBondContact O-N 3.33Å; L88-I91 WeakPolarHBondContact O-CB 3.42Å; L88-I91 PolarHBondContact O-N 2.74Å; I91-M170 HydrophobicContact CG2-SD 3.95Å; I91-L172 HydrophobicContact CG2-CD1 4.15Å; I91-I181 HydrophobicContact CG2-CD1 4.37Å; I91-I181 HydrophobicContact CG2-CG1 4.23Å; I91-W192 HydrophobicContact CD1-CH2 4.32Å; I91-W192 HydrophobicContact CD1-CZ3 4.44Å; I91-I199 HydrophobicContact CD1-CG1 4.42Å; I91-I199 HydrophobicContact CD1-CG2 4.03Å; I91-M201 HydrophobicContact CG1-CE 4.36Å; I91-M201 HydrophobicContact CG1-SD 4.1Å; I91-M201 HydrophobicContact CG2-CE 4.29Å
92	L	95.8	Very high	91.9	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-83.2	-12.2	-175.6	-61.6	177.9	0	0	0	114	L88 K89 Q117 Y118 M170 L172	L88-L92 HydrophobicContact CD1-CD1 3.88Å; L88-L92 HydrophobicContact CD1-CG 3.97Å; L88-L92 HydrophobicContact CG-CD1 3.92Å; L88-L92 HydrophobicContact CG-CG 4.37Å; L88-L92 WeakPolarHBondContact O-CG 3.47Å; L88-L92 PolarHBondContact O-N 3.02Å; K89-L92 PolarHBondContact O-N 3.41Å; L92-Q117 HydrophobicContact CD1-CB 3.79Å; L92-Y118 HydrophobicContact CB-CD1 4.34Å; L92-Y118 HydrophobicContact CD1-CD1 4.31Å; L92-Y118 HydrophobicContact CD1-CD2 3.88Å; L92-Y118 HydrophobicContact CD1-CE1 4.29Å; L92-Y118 HydrophobicContact CD1-CE2 3.84Å; L92-Y118 HydrophobicContact CD1-CG 4.11Å; L92-Y118 HydrophobicContact CD2-CD1 4.32Å; L92-Y118 HydrophobicContact CD2-CE1 3.71Å; L92-Y118 HydrophobicContact CD2-CE2 4.37Å; L92-Y118 HydrophobicContact CG-CE1 4.4Å; L92-M170 HydrophobicContact CD2-SD 4.01Å; L92-L172 HydrophobicContact CD2-CD1 4.41Å; L92-L172 HydrophobicContact CD2-CD2 4.02Å
93	N	90.9	Very high	92.5	Very high	76 Å²	76	35.7 Å²	35.7	41%	0.406	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	38.3	178.2	-168.1	33.7	0	0	0	111.3	K89 E90 P119 R121	K89-N93 WeakPolarHBondContact O-CB 3.47Å; K89-N93 PolarHBondContact O-N 3.23Å; E90-N93 CarbonylContact O-C 3.57Å; N93-P119 HydrophobicContact CB-CG 3.48Å; N93-P119 VanDerWaalsContact CB-CG 3.48Å; N93-P119 VanDerWaalsContact CG-CG 3.48Å; N93-P119 WeakPolarHBondContact OD1-CG 3.28Å; N93-R121 PolarHBondContact OD1-NH2 2.89Å
94	S	80	Confident	92.8	Very high	21 Å²	21	34.9 Å²	34.9	15%	0.147	20%	0.202	C	C	.	.			trans	-67.2	153.5	179.7	72.6	0	0	0	0	110.9	E90 D96 Y174	E90-S94 PolarHBondContact O-N 2.98Å; S94-D96 WeakPolarHBondContact CB-OD2 3.44Å; S94-D96 PolarHBondContact O-N 3.35Å; S94-D96 VanDerWaalsContact OG-CB 3.32Å; S94-D96 WeakPolarHBondContact OG-CB 3.28Å; S94-D96 VanDerWaalsContact OG-CG 3.22Å; S94-D96 PolarHBondContact OG-N 3.32Å; S94-D96 PolarHBondContact OG-OD2 3.3Å; S94-Y174 PolarHBondContact OG-OH 2.92Å; S94-Y174 VanDerWaalsContact OG-OH 3.05Å
95	S	78.6	Confident	93.1	Very high	111 Å²	111	33.7 Å²	33.7	78%	0.776	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	13.1	172.3	57.7	0	0	0	0	113.1	G97	S95-G97 PolarHBondContact O-N 3.29Å; S95-G97 VanDerWaalsContact O-N 3.11Å
96	D	77.1	Confident	93.2	Very high	27 Å²	27	32.3 Å²	32.3	14%	0.144	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	0.8	-177.5	-64.6	-56.5	0	0	0	113	S94 Y174 K179 K204	S94-D96 WeakPolarHBondContact CB-OD2 3.44Å; S94-D96 PolarHBondContact O-N 3.35Å; S94-D96 VanDerWaalsContact OG-CB 3.32Å; S94-D96 WeakPolarHBondContact OG-CB 3.28Å; S94-D96 VanDerWaalsContact OG-CG 3.22Å; S94-D96 PolarHBondContact OG-N 3.32Å; S94-D96 PolarHBondContact OG-OD2 3.3Å; D96-Y174 HydrophobicContact CB-CD1 4.31Å; D96-Y174 HydrophobicContact CB-CD2 4.47Å; D96-Y174 HydrophobicContact CB-CE1 4.04Å; D96-Y174 HydrophobicContact CB-CE2 4.19Å; D96-K179 VanDerWaalsContact OD1-CE 3.28Å; D96-K179 WeakPolarHBondContact OD1-CE 3.49Å; D96-K179 IonicContact OD1-NZ 3.75Å; D96-K179 PolarHBondContact OD1-NZ 3.37Å; D96-K179 VanDerWaalsContact OD2-CD 3.27Å; D96-K179 WeakPolarHBondContact OD2-CD 3.32Å; D96-K179 WeakPolarHBondContact OD2-CE 3.29Å; D96-K179 IonicContact OD2-NZ 3.32Å; D96-K179 PolarHBondContact OD2-NZ 2.83Å; D96-K204 HydrophobicContact CB-CD 4.23Å; D96-K204 WeakPolarHBondContact O-CE 3.33Å; D96-K204 PolarHBondContact O-NZ 3.1Å
97	G	82.6	Confident	93.2	Very high	38 Å²	38	32.6 Å²	32.6	39%	0.392	19%	0.187	S	C	.	.			trans	114.3	-157.5	176.3	0	0	0	0	0	112.6	S95 L99	S95-G97 PolarHBondContact O-N 3.29Å; S95-G97 VanDerWaalsContact O-N 3.11Å; G97-L99 PolarHBondContact O-N 3.47Å
98	E	91.8	Very high	93.1	Very high	102 Å²	102	31.8 Å²	31.8	48%	0.477	18%	0.181	S	C	.	.			trans	-88.3	113.7	-173.8	-164	178.4	149.9	0	0	110.5	F122 Y174 K175	E98-F122 HydrophobicContact CG-CE1 4.44Å; E98-Y174 CarbonylContact O-C 3.45Å; E98-Y174 VanDerWaalsContact O-CA 3.29Å; E98-Y174 WeakPolarHBondContact O-CA 3.39Å; E98-K175 HydrophobicContact CB-CD 4.03Å; E98-K175 HydrophobicContact CB-CG 4.21Å; E98-K175 HydrophobicContact CG-CD 4.41Å; E98-K175 PolarHBondContact O-N 3.28Å; E98-K175 VanDerWaalsContact OE1-CE 3.23Å; E98-K175 WeakPolarHBondContact OE1-CE 3.21Å; E98-K175 IonicContact OE1-NZ 3.16Å; E98-K175 PolarHBondContact OE1-NZ 2.97Å; E98-K175 VanDerWaalsContact OE2-CE 3.23Å; E98-K175 WeakPolarHBondContact OE2-CE 3.43Å; E98-K175 IonicContact OE2-NZ 2.7Å; E98-K175 PolarHBondContact OE2-NZ 3.42Å
99	L	96.7	Very high	93.1	Very high	4 Å²	4	32 Å²	32	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	138.5	173.1	-170.7	71.3	0	0	0	109.3	G97 Y118 F122 L125 L172 K173 Y174	G97-L99 PolarHBondContact O-N 3.47Å; L99-Y118 HydrophobicContact CD2-CD1 4.13Å; L99-Y118 HydrophobicContact CD2-CE1 3.96Å; L99-F122 HydrophobicContact CB-CD1 4.14Å; L99-F122 HydrophobicContact CB-CD2 4.02Å; L99-F122 HydrophobicContact CB-CE1 4.12Å; L99-F122 HydrophobicContact CB-CE2 4Å; L99-F122 HydrophobicContact CB-CG 4.11Å; L99-F122 HydrophobicContact CB-CZ 4.05Å; L99-F122 HydrophobicContact CD2-CB 4.24Å; L99-F122 HydrophobicContact CD2-CD2 4.18Å; L99-F122 HydrophobicContact CD2-CG 4.26Å; L99-L125 HydrophobicContact CB-CD1 4.02Å; L99-L125 HydrophobicContact CD2-CD1 4.25Å; L99-L125 HydrophobicContact CG-CD1 4.14Å; L99-L125 WeakPolarHBondContact O-CD1 3.28Å; L99-L172 HydrophobicContact CD1-CB 3.86Å; L99-L172 HydrophobicContact CD1-CD2 4.33Å; L99-K173 WeakPolarHBondContact CD1-O 3.35Å; L99-Y174 HydrophobicContact CB-CD1 4.33Å; L99-Y174 HydrophobicContact CB-CE1 4.3Å; L99-Y174 HydrophobicContact CD1-CD1 4.27Å; L99-Y174 HydrophobicContact CD1-CE1 3.99Å
100	V	97	Very high	93.1	Very high	51 Å²	51	26.6 Å²	26.6	31%	0.309	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	-44.6	179.2	174.8	0	0	0	0	110.5	P126 K173 K175	V100-P126 WeakPolarHBondContact O-CD 3.42Å; V100-K173 HydrophobicContact CB-CG 4.46Å; V100-K173 PolarHBondContact N-O 2.8Å; V100-K175 HydrophobicContact CG2-CB 4.27Å; V100-K175 HydrophobicContact CG2-CG 3.52Å
101	S	97.9	Very high	93.2	Very high	19 Å²	19	24.2 Å²	24.2	13%	0.133	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	161.5	177.3	61	0	0	0	0	111	P126 K173	S101-P126 WeakPolarHBondContact CA-O 3.32Å; S101-P126 WeakPolarHBondContact CB-O 3.38Å; S101-K173 PolarHBondContact N-O 2.87Å; S101-K173 WeakPolarHBondContact O-CB 3.31Å; S101-K173 PolarHBondContact O-N 2.77Å
102	S	98.5	Very high	93.3	Very high	4 Å²	4	25.6 Å²	25.6	3%	0.028	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	158.5	174.6	62.6	0	0	0	0	112.7	Y118 P126 L127 T128 M171	S102-Y118 PolarHBondContact OG-OH 3.39Å; S102-P126 PolarHBondContact N-O 3.22Å; S102-L127 CarbonylContact O-C 3.55Å; S102-L127 WeakPolarHBondContact O-CA 3.45Å; S102-L127 WeakPolarHBondContact OG-CD1 3.46Å; S102-T128 PolarHBondContact O-N 2.94Å; S102-M171 VanDerWaalsContact CA-O 3.28Å; S102-M171 WeakPolarHBondContact CA-O 3.38Å
103	I	98.7	Very high	93.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	139.7	171.3	-178.5	166.5	0	0	0	109.3	F105 T128 V130 M170 M171 L248 W251	I103-F105 HydrophobicContact CB-CE2 4.31Å; I103-F105 HydrophobicContact CD1-CE1 4.5Å; I103-F105 HydrophobicContact CD1-CE2 3.6Å; I103-F105 HydrophobicContact CD1-CZ 3.55Å; I103-F105 HydrophobicContact CG1-CD2 4.1Å; I103-F105 HydrophobicContact CG1-CE2 3.5Å; I103-F105 VanDerWaalsContact CG1-CE2 3.5Å; I103-F105 HydrophobicContact CG1-CZ 3.99Å; I103-F105 HydrophobicContact CG2-CE2 3.92Å; I103-T128 CarbonylContact C-O 3.48Å; I103-T128 VanDerWaalsContact CA-O 3.3Å; I103-T128 WeakPolarHBondContact CA-O 3.49Å; I103-T128 HydrophobicContact CD1-CG2 3.66Å; I103-T128 HydrophobicContact CG1-CG2 3.82Å; I103-V130 HydrophobicContact CD1-CG2 3.64Å; I103-V130 HydrophobicContact CG1-CG2 3.79Å; I103-M170 CarbonylContact O-C 3.4Å; I103-M170 WeakPolarHBondContact O-CA 3.31Å; I103-M170 WeakPolarHBondContact O-CB 3.07Å; I103-M171 HydrophobicContact CG2-CB 3.65Å; I103-M171 HydrophobicContact CG2-CE 3.51Å; I103-M171 HydrophobicContact CG2-CG 4.17Å; I103-M171 PolarHBondContact N-O 3.17Å; I103-M171 PolarHBondContact O-N 3.44Å; I103-L248 HydrophobicContact CD1-CD1 4.35Å; I103-W251 HydrophobicContact CB-CD2 4.03Å; I103-W251 HydrophobicContact CB-CG 4.33Å; I103-W251 HydrophobicContact CB-CZ2 3.88Å; I103-W251 HydrophobicContact CD1-CB 4.41Å; I103-W251 HydrophobicContact CD1-CD2 4.48Å; I103-W251 HydrophobicContact CD1-CG 3.9Å; I103-W251 HydrophobicContact CG2-CD2 3.48Å; I103-W251 VanDerWaalsContact CG2-CD2 3.48Å; I103-W251 VanDerWaalsContact CG2-CE2 3.46Å; I103-W251 HydrophobicContact CG2-CE3 3.74Å; I103-W251 HydrophobicContact CG2-CG 4.01Å; I103-W251 HydrophobicContact CG2-CH2 3.94Å; I103-W251 HydrophobicContact CG2-CZ2 3.72Å; I103-W251 HydrophobicContact CG2-CZ3 3.95Å
104	Q	98.6	Very high	93.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	122.3	-175	-60	-74	-27.3	0	0	108.6	F109 L114 Y118 L127 T128 I129 V130 M170	Q104-F109 HydrophobicContact CB-CE1 3.83Å; Q104-F109 HydrophobicContact CB-CZ 4.27Å; Q104-L114 HydrophobicContact CG-CD2 4.3Å; Q104-Y118 PolarHBondContact NE2-OH 2.85Å; Q104-L127 HydrophobicContact CB-CD1 4.47Å; Q104-L127 HydrophobicContact CG-CD1 3.61Å; Q104-T128 PolarHBondContact N-O 2.54Å; Q104-I129 HydrophobicContact CB-CD1 4.17Å; Q104-V130 PolarHBondContact O-N 2.88Å; Q104-M170 VanDerWaalsContact CD-CB 3.48Å; Q104-M170 VanDerWaalsContact NE2-CB 3.33Å; Q104-M170 VanDerWaalsContact OE1-CB 3.29Å
105	F	98.7	Very high	94.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.1	174.5	-62.1	-105.8	0	0	0	106.9	I103 V130 T167 K168 M169 M171 L233 Y236 L248	I103-F105 HydrophobicContact CB-CE2 4.31Å; I103-F105 HydrophobicContact CD1-CE1 4.5Å; I103-F105 HydrophobicContact CD1-CE2 3.6Å; I103-F105 HydrophobicContact CD1-CZ 3.55Å; I103-F105 HydrophobicContact CG1-CD2 4.1Å; I103-F105 HydrophobicContact CG1-CE2 3.5Å; I103-F105 VanDerWaalsContact CG1-CE2 3.5Å; I103-F105 HydrophobicContact CG1-CZ 3.99Å; I103-F105 HydrophobicContact CG2-CE2 3.92Å; F105-V130 HydrophobicContact CB-CB 4.45Å; F105-V130 HydrophobicContact CD1-CB 3.55Å; F105-V130 HydrophobicContact CD1-CG1 3.63Å; F105-V130 HydrophobicContact CD1-CG2 3.75Å; F105-V130 HydrophobicContact CD2-CG2 4.42Å; F105-V130 HydrophobicContact CE1-CB 3.92Å; F105-V130 HydrophobicContact CE1-CG1 3.86Å; F105-V130 HydrophobicContact CE1-CG2 3.63Å; F105-V130 HydrophobicContact CE2-CG2 4.29Å; F105-V130 HydrophobicContact CG-CB 3.99Å; F105-V130 HydrophobicContact CG-CG2 4.15Å; F105-V130 HydrophobicContact CZ-CG2 3.91Å; F105-T167 CarbonylContact C-O 3.51Å; F105-T167 VanDerWaalsContact C-O 3.32Å; F105-T167 HydrophobicContact CB-CG2 3.9Å; F105-T167 VanDerWaalsContact O-O 3.07Å; F105-K168 VanDerWaalsContact O-CA 3.31Å; F105-K168 WeakPolarHBondContact O-CA 3.23Å; F105-M169 HydrophobicContact CB-CB 4.18Å; F105-M169 WeakPolarHBondContact CB-O 3.36Å; F105-M169 HydrophobicContact CD1-CE 4.32Å; F105-M169 HydrophobicContact CD2-CB 4.24Å; F105-M169 HydrophobicContact CD2-CE 3.37Å; F105-M169 HydrophobicContact CE1-CE 4.19Å; F105-M169 HydrophobicContact CE2-CE 3.23Å; F105-M169 HydrophobicContact CG-CB 4.44Å; F105-M169 HydrophobicContact CG-CE 3.94Å; F105-M169 HydrophobicContact CZ-CE 3.68Å; F105-M169 PolarHBondContact N-O 3.19Å; F105-M169 PolarHBondContact O-N 3.29Å; F105-M169 VanDerWaalsContact O-N 3.09Å; F105-M171 HydrophobicContact CE2-CE 3.99Å; F105-M171 HydrophobicContact CZ-CE 4.31Å; F105-L233 HydrophobicContact CE1-CD2 3.61Å; F105-L233 HydrophobicContact CZ-CD2 3.56Å; F105-Y236 HydrophobicContact CD1-CE1 4.26Å; F105-Y236 WeakPolarHBondContact CD1-OH 3.4Å; F105-Y236 HydrophobicContact CE1-CE1 4.24Å; F105-L248 HydrophobicContact CE1-CD1 4.28Å; F105-L248 HydrophobicContact CZ-CD1 4.07Å
106	N	98.2	Very high	95.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.			trans	-156.5	159.3	-178.1	-146.2	-76.7	0	0	0	113.6	M108 F109 V130 H165 T167 A185 N186 M187	N106-M108 PolarHBondContact OD1-N 3Å; N106-M108 PolarHBondContact OD1-O 3.38Å; N106-M108 VanDerWaalsContact OD1-O 3.13Å; N106-F109 HydrophobicContact CB-CD1 4.38Å; N106-F109 HydrophobicContact CB-CD2 4.24Å; N106-F109 HydrophobicContact CB-CE1 3.7Å; N106-F109 HydrophobicContact CB-CE2 3.54Å; N106-F109 HydrophobicContact CB-CZ 3.23Å; N106-F109 VanDerWaalsContact O-CE2 3.29Å; N106-F109 WeakPolarHBondContact O-CE2 3.21Å; N106-V130 PolarHBondContact N-O 2.88Å; N106-H165 PolarHBondContact O-ND1 2.8Å; N106-T167 WeakPolarHBondContact CA-O 3.23Å; N106-T167 PolarHBondContact N-O 3.39Å; N106-A185 PolarHBondContact ND2-O 2.77Å; N106-N186 WeakPolarHBondContact OD1-CA 3.25Å; N106-N186 PolarHBondContact OD1-OD1 2.97Å; N106-M187 HydrophobicContact CB-CB 4.5Å; N106-M187 HydrophobicContact CB-CG 3.84Å; N106-M187 WeakPolarHBondContact ND2-CG 3.39Å; N106-M187 PolarHBondContact OD1-N 3.3Å
107	F	96.1	Very high	96.3	Very high	15 Å²	15	25.2 Å²	25.2	7%	0.066	13%	0.132	C	C	.	.	S	Bend	trans	-82.4	-28.8	173.4	-178.7	-125.3	0	0	0	113.1	N30 P31 F133 V164 H165 H166	N30-F107 WeakPolarHBondContact OD1-CZ 3.38Å; P31-F107 HydrophobicContact CG-CE1 4.42Å; P31-F107 HydrophobicContact CG-CE2 4.15Å; P31-F107 HydrophobicContact CG-CZ 4Å; F107-F133 WeakPolarHBondContact O-CE1 3.41Å; F107-V164 HydrophobicContact CD2-CB 4.24Å; F107-V164 HydrophobicContact CE2-CB 3.85Å; F107-V164 HydrophobicContact CE2-CG1 3.81Å; F107-V164 HydrophobicContact CE2-CG2 4.31Å; F107-V164 HydrophobicContact CZ-CG1 4.47Å; F107-H165 WeakPolarHBondContact CA-O 3.29Å; F107-H165 WeakPolarHBondContact CD2-O 3.44Å; F107-H166 AromaticContact CD1-CD2 3.83Å; F107-H166 AromaticContact CG-CD2 3.7Å
108	M	95.2	Very high	97	Very high	17 Å²	17	23.8 Å²	23.8	8%	0.084	12%	0.115	C	C	.	.			trans	-136.5	144.1	174.8	-42.4	-177.2	-168.7	0	0	111	K29 N30 P31 N106 N186 M187 I188	K29-M108 HydrophobicContact CB-SD 4.15Å; N30-M108 VanDerWaalsContact CA-CE 3.44Å; N30-M108 HydrophobicContact CB-CE 3.97Å; P31-M108 HydrophobicContact CG-CG 4.45Å; N106-M108 PolarHBondContact OD1-N 3Å; N106-M108 PolarHBondContact OD1-O 3.38Å; N106-M108 VanDerWaalsContact OD1-O 3.13Å; M108-N186 HydrophobicContact CB-CB 3.93Å; M108-N186 HydrophobicContact CG-CB 4.1Å; M108-N186 HydrophobicContact SD-CB 4.41Å; M108-M187 WeakPolarHBondContact O-CA 3.37Å; M108-M187 WeakPolarHBondContact O-CB 3.23Å; M108-M187 PolarHBondContact O-N 3.23Å; M108-I188 HydrophobicContact CB-CG2 4.06Å; M108-I188 HydrophobicContact SD-CD1 4.09Å
109	F	95.8	Very high	97.1	Very high	8 Å²	8	20 Å²	20	4%	0.035	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-135.2	124.9	179.7	-71.7	-81	0	0	0	110.8	L45 Q104 N106 I111 L114 I129 V130 H131 F133 M187	L45-F109 WeakPolarHBondContact CD1-O 3.15Å; Q104-F109 HydrophobicContact CB-CE1 3.83Å; Q104-F109 HydrophobicContact CB-CZ 4.27Å; N106-F109 HydrophobicContact CB-CD1 4.38Å; N106-F109 HydrophobicContact CB-CD2 4.24Å; N106-F109 HydrophobicContact CB-CE1 3.7Å; N106-F109 HydrophobicContact CB-CE2 3.54Å; N106-F109 HydrophobicContact CB-CZ 3.23Å; N106-F109 VanDerWaalsContact O-CE2 3.29Å; N106-F109 WeakPolarHBondContact O-CE2 3.21Å; F109-I111 HydrophobicContact CB-CD1 3.91Å; F109-I111 HydrophobicContact CB-CG1 4.43Å; F109-I111 HydrophobicContact CD1-CD1 4.22Å; F109-I111 HydrophobicContact CG-CD1 4.3Å; F109-L114 HydrophobicContact CD1-CD2 4.1Å; F109-L114 HydrophobicContact CE1-CD2 4.36Å; F109-I129 HydrophobicContact CD1-CD1 4.13Å; F109-I129 HydrophobicContact CD1-CG2 4.01Å; F109-I129 HydrophobicContact CD2-CG2 3.79Å; F109-I129 HydrophobicContact CE1-CD1 3.9Å; F109-I129 HydrophobicContact CE1-CG2 3.85Å; F109-I129 HydrophobicContact CE2-CG2 3.62Å; F109-I129 HydrophobicContact CG-CG2 3.97Å; F109-I129 HydrophobicContact CZ-CG2 3.64Å; F109-V130 WeakPolarHBondContact CE2-O 3.44Å; F109-H131 HydrophobicContact CD2-CB 4.25Å; F109-H131 HydrophobicContact CE2-CB 3.99Å; F109-F133 HydrophobicContact CB-CE2 4.48Å; F109-F133 HydrophobicContact CD2-CE2 4.38Å; F109-F133 HydrophobicContact CD2-CZ 4.27Å; F109-M187 HydrophobicContact CD1-CB 3.81Å; F109-M187 HydrophobicContact CD1-CG 4.09Å; F109-M187 HydrophobicContact CE1-CB 4.14Å; F109-M187 HydrophobicContact CE1-CG 3.89Å
110	D	96.4	Very high	97	Very high	10 Å²	10	27.2 Å²	27.2	5%	0.053	13%	0.133	C	C	.	.			trans	-102.7	102.3	153.7	-178.6	-15.4	0	0	0	107.9	L45 P112 W113 L114 M187 I188	L45-D110 HydrophobicContact CB-CB 3.98Å; L45-D110 HydrophobicContact CD1-CB 4.01Å; D110-P112 VanDerWaalsContact OD1-CD 3.25Å; D110-P112 WeakPolarHBondContact OD1-CD 3.3Å; D110-W113 HydrophobicContact CB-CB 3.9Å; D110-W113 PolarHBondContact OD1-N 3.08Å; D110-W113 WeakPolarHBondContact OD2-CB 3.08Å; D110-L114 WeakPolarHBondContact O-CB 3.49Å; D110-L114 PolarHBondContact O-N 3.34Å; D110-M187 PolarHBondContact N-O 2.64Å; D110-I188 HydrophobicContact CB-CG2 4.07Å
111	I	97.6	Very high	96.9	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-67.1	-49	-173.1	-60.1	-61.4	0	0	0	112.5	F109 W113 L114 R115 I129 L141 V145 Y148 I151	F109-I111 HydrophobicContact CB-CD1 3.91Å; F109-I111 HydrophobicContact CB-CG1 4.43Å; F109-I111 HydrophobicContact CD1-CD1 4.22Å; F109-I111 HydrophobicContact CG-CD1 4.3Å; I111-W113 PolarHBondContact O-N 2.83Å; I111-L114 PolarHBondContact O-N 2.91Å; I111-R115 WeakPolarHBondContact O-CB 3.39Å; I111-R115 PolarHBondContact O-N 2.85Å; I111-I129 HydrophobicContact CD1-CD1 3.86Å; I111-I129 HydrophobicContact CD1-CG1 3.84Å; I111-I129 HydrophobicContact CD1-CG2 4.35Å; I111-L141 HydrophobicContact CD1-CD1 3.9Å; I111-L141 HydrophobicContact CG1-CD1 3.63Å; I111-V145 HydrophobicContact CG1-CG2 4.21Å; I111-Y148 HydrophobicContact CG2-CD2 3.9Å; I111-Y148 HydrophobicContact CG2-CE2 3.89Å; I111-I151 HydrophobicContact CG2-CD1 3.65Å
112	P	97.1	Very high	96.8	Very high	28 Å²	28	32.4 Å²	32.4	18%	0.182	15%	0.145	C	C	.	.	H	α-helix	trans	-54.2	-50.1	173.8	-28.5	34.1	0	0	0	112.5	V44 D110 L114 R115 E116 S144	V44-P112 HydrophobicContact CG1-CG 4.43Å; D110-P112 VanDerWaalsContact OD1-CD 3.25Å; D110-P112 WeakPolarHBondContact OD1-CD 3.3Å; P112-L114 PolarHBondContact O-N 2.71Å; P112-R115 PolarHBondContact O-N 3.46Å; P112-E116 WeakPolarHBondContact O-CG 3.47Å; P112-E116 PolarHBondContact O-N 3.15Å; P112-S144 WeakPolarHBondContact CD-OG 3.44Å
113	W	97.3	Very high	96.6	Very high	30 Å²	30	35.3 Å²	35.3	11%	0.114	16%	0.155	C	C	.	.	H	α-helix	trans	-62.2	-45.3	179.7	171.2	85.6	0	0	0	112.1	L88 D110 I111 R115 E116 Q117 M187 S189 W192	L88-W113 HydrophobicContact CD2-CH2 3.57Å; L88-W113 HydrophobicContact CD2-CZ2 4.32Å; L88-W113 HydrophobicContact CD2-CZ3 4.2Å; D110-W113 HydrophobicContact CB-CB 3.9Å; D110-W113 PolarHBondContact OD1-N 3.08Å; D110-W113 WeakPolarHBondContact OD2-CB 3.08Å; I111-W113 PolarHBondContact O-N 2.83Å; W113-R115 VanDerWaalsContact C-N 3.32Å; W113-R115 PolarHBondContact O-N 2.96Å; W113-E116 WeakPolarHBondContact O-CB 3.5Å; W113-E116 PolarHBondContact O-N 3.38Å; W113-E116 VanDerWaalsContact O-N 3.12Å; W113-Q117 HydrophobicContact CD2-CG 4.28Å; W113-Q117 HydrophobicContact CE3-CG 4.45Å; W113-Q117 HydrophobicContact CH2-CG 4.03Å; W113-Q117 HydrophobicContact CZ2-CG 3.87Å; W113-Q117 HydrophobicContact CZ3-CG 4.32Å; W113-Q117 WeakPolarHBondContact O-CG 3.3Å; W113-Q117 PolarHBondContact O-N 2.96Å; W113-Q117 PolarHBondContact O-NE2 3.13Å; W113-M187 HydrophobicContact CZ3-CB 4.47Å; W113-S189 VanDerWaalsContact CE2-CA 3.43Å; W113-S189 VanDerWaalsContact NE1-CB 3.32Å; W113-S189 PolarHBondContact NE1-OG 2.92Å; W113-W192 HydrophobicContact CH2-CB 3.91Å; W113-W192 AromaticContact CH2-CD1 3.39Å; W113-W192 AromaticContact CH2-CG 3.8Å; W113-W192 HydrophobicContact CH2-CG 3.8Å; W113-W192 HydrophobicContact CZ2-CB 3.93Å; W113-W192 HydrophobicContact CZ2-CG 4.33Å
114	L	97.9	Very high	96.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.3	-45.9	178.4	171.1	54.4	0	0	0	110.9	Q104 F109 D110 I111 P112 E116 Q117 Y118 L127 I129 M187	Q104-L114 HydrophobicContact CG-CD2 4.3Å; F109-L114 HydrophobicContact CD1-CD2 4.1Å; F109-L114 HydrophobicContact CE1-CD2 4.36Å; D110-L114 WeakPolarHBondContact O-CB 3.49Å; D110-L114 PolarHBondContact O-N 3.34Å; I111-L114 PolarHBondContact O-N 2.91Å; P112-L114 PolarHBondContact O-N 2.71Å; L114-E116 PolarHBondContact O-N 3.14Å; L114-Q117 WeakPolarHBondContact O-CB 3.4Å; L114-Q117 PolarHBondContact O-N 2.95Å; L114-Y118 HydrophobicContact CD1-CE2 3.88Å; L114-Y118 HydrophobicContact CG-CE2 4.22Å; L114-Y118 WeakPolarHBondContact O-CD2 3.16Å; L114-L127 HydrophobicContact CD2-CD2 4.46Å; L114-I129 HydrophobicContact CD2-CD1 4.06Å; L114-M187 HydrophobicContact CD1-CE 3.31Å; L114-M187 HydrophobicContact CD2-CB 4.44Å; L114-M187 HydrophobicContact CD2-CE 4.5Å; L114-M187 HydrophobicContact CG-CE 4.47Å
115	R	96.6	Very high	96.5	Very high	76 Å²	76	41.6 Å²	41.6	29%	0.287	20%	0.195	S	C	.	.	H	α-helix	trans	-58.4	-37.7	178	-177.6	-177.4	164.6	-80.3	0.6	111.6	I111 P112 W113 Q117 Y118 R123 Y148	I111-R115 WeakPolarHBondContact O-CB 3.39Å; I111-R115 PolarHBondContact O-N 2.85Å; P112-R115 PolarHBondContact O-N 3.46Å; W113-R115 VanDerWaalsContact C-N 3.32Å; W113-R115 PolarHBondContact O-N 2.96Å; R115-Q117 PolarHBondContact O-N 2.94Å; R115-Y118 PolarHBondContact O-N 3.02Å; R115-R123 HydrophobicContact CG-CB 4.15Å; R115-R123 HydrophobicContact CG-CG 4.18Å; R115-R123 WeakPolarHBondContact O-CG 3.36Å; R115-R123 PolarHBondContact O-NE 3.31Å; R115-Y148 VanDerWaalsContact CD-CE1 3.47Å
116	E	96.4	Very high	96.5	Very high	98 Å²	98	44.6 Å²	44.6	46%	0.458	22%	0.215	S	C	.	.	H	α-helix	trans	-68	-22.5	178.3	-70.5	176	180	0	0	113.6	P112 W113 L114 Y118 R123	P112-E116 WeakPolarHBondContact O-CG 3.47Å; P112-E116 PolarHBondContact O-N 3.15Å; W113-E116 WeakPolarHBondContact O-CB 3.5Å; W113-E116 PolarHBondContact O-N 3.38Å; W113-E116 VanDerWaalsContact O-N 3.12Å; L114-E116 PolarHBondContact O-N 3.14Å; E116-Y118 VanDerWaalsContact C-N 3.3Å; E116-R123 PolarHBondContact O-NH2 3.27Å
117	Q	96.8	Very high	96.5	Very high	25 Å²	25	45 Å²	45	12%	0.117	22%	0.217	C	C	.	.	H	α-helix	trans	-73	-23.1	175.5	-50.4	-44	-52.7	0	0	112.7	L88 K89 L92 W113 L114 R115	L88-Q117 HydrophobicContact CD2-CB 4Å; L88-Q117 HydrophobicContact CD2-CG 3.79Å; L88-Q117 HydrophobicContact CG-CB 4.19Å; L88-Q117 HydrophobicContact CG-CG 4.46Å; K89-Q117 VanDerWaalsContact CE-OE1 3.22Å; L92-Q117 HydrophobicContact CD1-CB 3.79Å; W113-Q117 HydrophobicContact CD2-CG 4.28Å; W113-Q117 HydrophobicContact CE3-CG 4.45Å; W113-Q117 HydrophobicContact CH2-CG 4.03Å; W113-Q117 HydrophobicContact CZ2-CG 3.87Å; W113-Q117 HydrophobicContact CZ3-CG 4.32Å; W113-Q117 WeakPolarHBondContact O-CG 3.3Å; W113-Q117 PolarHBondContact O-N 2.96Å; W113-Q117 PolarHBondContact O-NE2 3.13Å; L114-Q117 WeakPolarHBondContact O-CB 3.4Å; L114-Q117 PolarHBondContact O-N 2.95Å; R115-Q117 PolarHBondContact O-N 2.94Å
118	Y	96.9	Very high	96.6	Very high	8 Å²	8	44.4 Å²	44.4	3%	0.031	22%	0.215	C	C	.	.	S	Bend	trans	-73.8	140.9	170.3	-71.7	-97.4	0	0	0	110.4	L92 L99 S102 Q104 L114 R115 E116 F122 R123 L127	L92-Y118 HydrophobicContact CB-CD1 4.34Å; L92-Y118 HydrophobicContact CD1-CD1 4.31Å; L92-Y118 HydrophobicContact CD1-CD2 3.88Å; L92-Y118 HydrophobicContact CD1-CE1 4.29Å; L92-Y118 HydrophobicContact CD1-CE2 3.84Å; L92-Y118 HydrophobicContact CD1-CG 4.11Å; L92-Y118 HydrophobicContact CD2-CD1 4.32Å; L92-Y118 HydrophobicContact CD2-CE1 3.71Å; L92-Y118 HydrophobicContact CD2-CE2 4.37Å; L92-Y118 HydrophobicContact CG-CE1 4.4Å; L99-Y118 HydrophobicContact CD2-CD1 4.13Å; L99-Y118 HydrophobicContact CD2-CE1 3.96Å; S102-Y118 PolarHBondContact OG-OH 3.39Å; Q104-Y118 PolarHBondContact NE2-OH 2.85Å; L114-Y118 HydrophobicContact CD1-CE2 3.88Å; L114-Y118 HydrophobicContact CG-CE2 4.22Å; L114-Y118 WeakPolarHBondContact O-CD2 3.16Å; R115-Y118 PolarHBondContact O-N 3.02Å; E116-Y118 VanDerWaalsContact C-N 3.3Å; Y118-F122 HydrophobicContact CD1-CB 4.4Å; Y118-R123 PolarHBondContact O-NE 3.42Å; Y118-R123 PolarHBondContact O-NH2 3.05Å; Y118-L127 HydrophobicContact CE2-CD2 4.49Å
119	P	94.7	Very high	96.7	Very high	23 Å²	23	43.6 Å²	43.6	15%	0.149	21%	0.211	C	C	.	.			trans	-49.6	142.2	164.6	-27.1	35.5	0	0	0	110.8	N93 R121 F122 R123	N93-P119 HydrophobicContact CB-CG 3.48Å; N93-P119 VanDerWaalsContact CB-CG 3.48Å; N93-P119 VanDerWaalsContact CG-CG 3.48Å; N93-P119 WeakPolarHBondContact OD1-CG 3.28Å; P119-R121 HydrophobicContact CB-CG 4.11Å; P119-R121 PolarHBondContact O-N 2.84Å; P119-R121 VanDerWaalsContact O-N 3.13Å; P119-F122 HydrophobicContact CB-CD2 3.99Å; P119-F122 HydrophobicContact CB-CG 4.44Å; P119-F122 HydrophobicContact CG-CD2 3.77Å; P119-F122 HydrophobicContact CG-CE2 4.19Å; P119-F122 WeakPolarHBondContact O-CA 3.33Å; P119-F122 PolarHBondContact O-N 2.87Å; P119-R123 WeakPolarHBondContact O-CG 3.38Å; P119-R123 PolarHBondContact O-N 2.98Å
120	E	95	Very high	96.8	Very high	156 Å²	156	43.2 Å²	43.2	73%	0.729	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-51.4	-43.5	-174.8	-173	172.2	-173.5	0	0	113.1	F122 R123	E120-F122 PolarHBondContact O-N 2.9Å; E120-F122 VanDerWaalsContact O-N 3.1Å; E120-R123 WeakPolarHBondContact O-CB 3.39Å; E120-R123 PolarHBondContact O-N 3.19Å; E120-R123 VanDerWaalsContact O-N 3.13Å
121	R	94.1	Very high	96.9	Very high	164 Å²	164	42.8 Å²	42.8	62%	0.619	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-59	-18.9	176	62.7	173.8	-175.8	-110.3	-1.5	115.4	N93 P119	N93-R121 PolarHBondContact OD1-NH2 2.89Å; P119-R121 HydrophobicContact CB-CG 4.11Å; P119-R121 PolarHBondContact O-N 2.84Å; P119-R121 VanDerWaalsContact O-N 3.13Å
122	F	95.4	Very high	96.7	Very high	15 Å²	15	43.3 Å²	43.3	7%	0.066	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-105	-7.1	-179.1	-62.2	-24.2	0	0	0	113	E98 L99 Y118 P119 E120 S124 L125	E98-F122 HydrophobicContact CG-CE1 4.44Å; L99-F122 HydrophobicContact CB-CD1 4.14Å; L99-F122 HydrophobicContact CB-CD2 4.02Å; L99-F122 HydrophobicContact CB-CE1 4.12Å; L99-F122 HydrophobicContact CB-CE2 4Å; L99-F122 HydrophobicContact CB-CG 4.11Å; L99-F122 HydrophobicContact CB-CZ 4.05Å; L99-F122 HydrophobicContact CD2-CB 4.24Å; L99-F122 HydrophobicContact CD2-CD2 4.18Å; L99-F122 HydrophobicContact CD2-CG 4.26Å; Y118-F122 HydrophobicContact CD1-CB 4.4Å; P119-F122 HydrophobicContact CB-CD2 3.99Å; P119-F122 HydrophobicContact CB-CG 4.44Å; P119-F122 HydrophobicContact CG-CD2 3.77Å; P119-F122 HydrophobicContact CG-CE2 4.19Å; P119-F122 WeakPolarHBondContact O-CA 3.33Å; P119-F122 PolarHBondContact O-N 2.87Å; E120-F122 PolarHBondContact O-N 2.9Å; E120-F122 VanDerWaalsContact O-N 3.1Å; F122-S124 VanDerWaalsContact C-N 3.28Å; F122-S124 PolarHBondContact O-N 3.29Å; F122-L125 HydrophobicContact CB-CD1 3.87Å; F122-L125 HydrophobicContact CD1-CD1 3.71Å; F122-L125 HydrophobicContact CG-CD1 4.05Å; F122-L125 WeakPolarHBondContact O-CB 3.47Å; F122-L125 WeakPolarHBondContact O-CG 3.16Å; F122-L125 PolarHBondContact O-N 3.41Å; F122-L125 VanDerWaalsContact O-N 3.15Å
123	R	96	Very high	96.5	Very high	64 Å²	64	42.3 Å²	42.3	24%	0.242	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-20.3	-173	-67.3	-179.1	-175.7	165	-8.5	114.8	R115 E116 Y118 P119 E120 N150	R115-R123 HydrophobicContact CG-CB 4.15Å; R115-R123 HydrophobicContact CG-CG 4.18Å; R115-R123 WeakPolarHBondContact O-CG 3.36Å; R115-R123 PolarHBondContact O-NE 3.31Å; E116-R123 PolarHBondContact O-NH2 3.27Å; Y118-R123 PolarHBondContact O-NE 3.42Å; Y118-R123 PolarHBondContact O-NH2 3.05Å; P119-R123 WeakPolarHBondContact O-CG 3.38Å; P119-R123 PolarHBondContact O-N 2.98Å; E120-R123 WeakPolarHBondContact O-CB 3.39Å; E120-R123 PolarHBondContact O-N 3.19Å; E120-R123 VanDerWaalsContact O-N 3.13Å; R123-N150 PolarHBondContact O-ND2 3.07Å
124	S	96.3	Very high	96.2	Very high	90 Å²	90	46.4 Å²	46.4	63%	0.629	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-5.8	176.3	54.8	0	0	0	0	113.3	F122 N150	F122-S124 VanDerWaalsContact C-N 3.28Å; F122-S124 PolarHBondContact O-N 3.29Å; S124-N150 VanDerWaalsContact O-CB 3.24Å; S124-N150 WeakPolarHBondContact O-CB 3.08Å
125	L	97.5	Very high	95.9	Very high	42 Å²	42	49.3 Å²	49.3	22%	0.22	25%	0.252	C	S	.	.	S	Bend	trans	-71.6	154.3	-179.3	-62.9	177.6	0	0	0	111.6	L99 F122 L127 N150	L99-L125 HydrophobicContact CB-CD1 4.02Å; L99-L125 HydrophobicContact CD2-CD1 4.25Å; L99-L125 HydrophobicContact CG-CD1 4.14Å; L99-L125 WeakPolarHBondContact O-CD1 3.28Å; F122-L125 HydrophobicContact CB-CD1 3.87Å; F122-L125 HydrophobicContact CD1-CD1 3.71Å; F122-L125 HydrophobicContact CG-CD1 4.05Å; F122-L125 WeakPolarHBondContact O-CB 3.47Å; F122-L125 WeakPolarHBondContact O-CG 3.16Å; F122-L125 PolarHBondContact O-N 3.41Å; F122-L125 VanDerWaalsContact O-N 3.15Å; L125-L127 PolarHBondContact O-N 3.03Å; L125-N150 PolarHBondContact O-ND2 3.41Å
126	P	98.3	Very high	95.5	Very high	63 Å²	63	49 Å²	49	41%	0.409	25%	0.254	S	S	.	.			trans	-55.6	123.7	177.3	-25.9	34.2	0	0	0	112.9	V100 S101 S102 N150	V100-P126 WeakPolarHBondContact O-CD 3.42Å; S101-P126 WeakPolarHBondContact CA-O 3.32Å; S101-P126 WeakPolarHBondContact CB-O 3.38Å; S102-P126 PolarHBondContact N-O 3.22Å; P126-N150 WeakPolarHBondContact CA-O 3.47Å
127	L	98.6	Very high	95.2	Very high	10 Å²	10	45.6 Å²	45.6	5%	0.052	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.6	176.7	168.4	60.3	0	0	0	109.5	S102 Q104 L114 Y118 L125 I129 N150 I151 R152	S102-L127 CarbonylContact O-C 3.55Å; S102-L127 WeakPolarHBondContact O-CA 3.45Å; S102-L127 WeakPolarHBondContact OG-CD1 3.46Å; Q104-L127 HydrophobicContact CB-CD1 4.47Å; Q104-L127 HydrophobicContact CG-CD1 3.61Å; L114-L127 HydrophobicContact CD2-CD2 4.46Å; Y118-L127 HydrophobicContact CE2-CD2 4.49Å; L125-L127 PolarHBondContact O-N 3.03Å; L127-I129 HydrophobicContact CD1-CD1 4Å; L127-I129 HydrophobicContact CD2-CD1 4.02Å; L127-I129 HydrophobicContact CG-CD1 3.89Å; L127-I129 HydrophobicContact CG-CG1 4.45Å; L127-N150 PolarHBondContact N-O 2.95Å; L127-I151 HydrophobicContact CB-CG1 4.26Å; L127-I151 HydrophobicContact CD2-CD1 4.08Å; L127-I151 HydrophobicContact CD2-CG1 4.26Å; L127-I151 CarbonylContact O-C 3.51Å; L127-I151 VanDerWaalsContact O-CA 3.3Å; L127-I151 WeakPolarHBondContact O-CA 2.98Å; L127-R152 PolarHBondContact O-N 3.33Å
128	T	98.5	Very high	95	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.012	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	131.4	173.5	-55.9	0	0	0	0	110.7	S102 I103 Q104 V130 R152 P247	S102-T128 PolarHBondContact O-N 2.94Å; I103-T128 CarbonylContact C-O 3.48Å; I103-T128 VanDerWaalsContact CA-O 3.3Å; I103-T128 WeakPolarHBondContact CA-O 3.49Å; I103-T128 HydrophobicContact CD1-CG2 3.66Å; I103-T128 HydrophobicContact CG1-CG2 3.82Å; Q104-T128 PolarHBondContact N-O 2.54Å; T128-V130 HydrophobicContact CG2-CG2 4.34Å; T128-R152 CarbonylContact C-O 3.56Å; T128-R152 VanDerWaalsContact CA-O 3.31Å; T128-R152 WeakPolarHBondContact CA-O 3.32Å; T128-P247 HydrophobicContact CG2-CB 3.72Å; T128-P247 HydrophobicContact CG2-CG 4.05Å
129	I	98.4	Very high	94.8	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	119.1	177.9	-58	-59.3	0	0	0	109.2	Q104 F109 I111 L114 L127 I151 R152 T153 C154	Q104-I129 HydrophobicContact CB-CD1 4.17Å; F109-I129 HydrophobicContact CD1-CD1 4.13Å; F109-I129 HydrophobicContact CD1-CG2 4.01Å; F109-I129 HydrophobicContact CD2-CG2 3.79Å; F109-I129 HydrophobicContact CE1-CD1 3.9Å; F109-I129 HydrophobicContact CE1-CG2 3.85Å; F109-I129 HydrophobicContact CE2-CG2 3.62Å; F109-I129 HydrophobicContact CG-CG2 3.97Å; F109-I129 HydrophobicContact CZ-CG2 3.64Å; I111-I129 HydrophobicContact CD1-CD1 3.86Å; I111-I129 HydrophobicContact CD1-CG1 3.84Å; I111-I129 HydrophobicContact CD1-CG2 4.35Å; L114-I129 HydrophobicContact CD2-CD1 4.06Å; L127-I129 HydrophobicContact CD1-CD1 4Å; L127-I129 HydrophobicContact CD2-CD1 4.02Å; L127-I129 HydrophobicContact CG-CD1 3.89Å; L127-I129 HydrophobicContact CG-CG1 4.45Å; I129-I151 HydrophobicContact CG1-CG2 3.72Å; I129-R152 PolarHBondContact N-O 3.04Å; I129-T153 HydrophobicContact CB-CG2 4.27Å; I129-T153 CarbonylContact O-C 3.58Å; I129-T153 VanDerWaalsContact O-CA 3.27Å; I129-T153 WeakPolarHBondContact O-CA 3.34Å; I129-C154 PolarHBondContact O-N 2.93Å
130	V	98.1	Very high	94.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.5	176.7	-168.5	0	0	0	0	109.5	I103 Q104 F105 N106 F109 T128 C154 Y236	I103-V130 HydrophobicContact CD1-CG2 3.64Å; I103-V130 HydrophobicContact CG1-CG2 3.79Å; Q104-V130 PolarHBondContact O-N 2.88Å; F105-V130 HydrophobicContact CB-CB 4.45Å; F105-V130 HydrophobicContact CD1-CB 3.55Å; F105-V130 HydrophobicContact CD1-CG1 3.63Å; F105-V130 HydrophobicContact CD1-CG2 3.75Å; F105-V130 HydrophobicContact CD2-CG2 4.42Å; F105-V130 HydrophobicContact CE1-CB 3.92Å; F105-V130 HydrophobicContact CE1-CG1 3.86Å; F105-V130 HydrophobicContact CE1-CG2 3.63Å; F105-V130 HydrophobicContact CE2-CG2 4.29Å; F105-V130 HydrophobicContact CG-CB 3.99Å; F105-V130 HydrophobicContact CG-CG2 4.15Å; F105-V130 HydrophobicContact CZ-CG2 3.91Å; N106-V130 PolarHBondContact N-O 2.88Å; F109-V130 WeakPolarHBondContact CE2-O 3.44Å; T128-V130 HydrophobicContact CG2-CG2 4.34Å; V130-C154 WeakPolarHBondContact CA-O 3.37Å; V130-C154 HydrophobicContact CG1-CB 4.34Å; V130-C154 HydrophobicContact CG2-CB 4.2Å; V130-Y236 HydrophobicContact CG1-CD1 4.02Å; V130-Y236 HydrophobicContact CG1-CE1 3.48Å; V130-Y236 VanDerWaalsContact CG1-CE1 3.48Å
131	H	96.9	Very high	94.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	173.5	-171.8	68.5	86.6	0	0	0	110.6	F109 F133 L141 C154 Q155 A156	F109-H131 HydrophobicContact CD2-CB 4.25Å; F109-H131 HydrophobicContact CE2-CB 3.99Å; H131-F133 HydrophobicContact CB-CD2 4.4Å; H131-F133 HydrophobicContact CB-CG 4.39Å; H131-F133 AromaticContact ND1-CG 3.9Å; H131-F133 PolarHBondContact ND1-N 3.22Å; H131-F133 VanDerWaalsContact ND1-N 3.14Å; H131-L141 HydrophobicContact CB-CD2 4.42Å; H131-L141 WeakPolarHBondContact CD2-CD2 3.18Å; H131-L141 VanDerWaalsContact NE2-CD2 3.35Å; H131-L141 WeakPolarHBondContact NE2-CD2 3.3Å; H131-C154 PolarHBondContact N-O 3.43Å; H131-C154 VanDerWaalsContact N-O 3.08Å; H131-Q155 CarbonylContact O-C 3.34Å; H131-Q155 VanDerWaalsContact O-CA 3.26Å; H131-Q155 WeakPolarHBondContact O-CA 3.45Å; H131-A156 PolarHBondContact O-N 2.99Å
132	D	94.3	Very high	94.9	Very high	15 Å²	15	39.3 Å²	39.3	8%	0.08	22%	0.217	C	C	.	.			trans	-120.1	4.9	170.1	66.4	-17.4	0	0	0	114.4	Q134 I158 V164 H165	D132-Q134 WeakPolarHBondContact O-CG 3.48Å; D132-Q134 PolarHBondContact O-N 3.31Å; D132-I158 HydrophobicContact CB-CD1 3.92Å; D132-I158 HydrophobicContact CB-CG1 3.61Å; D132-V164 WeakPolarHBondContact OD2-CA 3.37Å; D132-H165 HydrophobicContact CB-CB 3.56Å; D132-H165 PolarHBondContact OD2-N 2.95Å
133	F	93.3	Very high	94.9	Very high	8 Å²	8	44 Å²	44	4%	0.035	24%	0.239	C	C	.	.			trans	-44.1	136.3	-176.2	-62.1	-19.4	0	0	0	114.5	P31 F107 F109 H131 M137 K138 L141 Q155	P31-F133 HydrophobicContact CG-CD1 4.31Å; P31-F133 HydrophobicContact CG-CE1 3.79Å; F107-F133 WeakPolarHBondContact O-CE1 3.41Å; F109-F133 HydrophobicContact CB-CE2 4.48Å; F109-F133 HydrophobicContact CD2-CE2 4.38Å; F109-F133 HydrophobicContact CD2-CZ 4.27Å; H131-F133 HydrophobicContact CB-CD2 4.4Å; H131-F133 HydrophobicContact CB-CG 4.39Å; H131-F133 AromaticContact ND1-CG 3.9Å; H131-F133 PolarHBondContact ND1-N 3.22Å; H131-F133 VanDerWaalsContact ND1-N 3.14Å; F133-M137 HydrophobicContact CB-CB 3.95Å; F133-M137 HydrophobicContact CD1-CB 4.41Å; F133-M137 HydrophobicContact CD2-CB 4.49Å; F133-M137 HydrophobicContact CE1-CE 4.5Å; F133-M137 HydrophobicContact CG-CB 4.07Å; F133-M137 HydrophobicContact CZ-CE 4.43Å; F133-K138 HydrophobicContact CB-CB 4.41Å; F133-K138 WeakPolarHBondContact O-CB 3.32Å; F133-L141 HydrophobicContact CD2-CB 3.81Å; F133-L141 HydrophobicContact CD2-CD2 3.69Å; F133-L141 HydrophobicContact CD2-CG 4.22Å; F133-L141 HydrophobicContact CE2-CB 4.24Å; F133-L141 HydrophobicContact CE2-CD1 4.35Å; F133-L141 HydrophobicContact CE2-CD2 4.15Å; F133-L141 HydrophobicContact CE2-CG 4.48Å; F133-Q155 PolarHBondContact O-NE2 3.33Å
134	Q	90.4	Very high	94.9	Very high	115 Å²	115	41.2 Å²	41.2	54%	0.537	23%	0.23	S	C	.	.			trans	-123.8	168	176.4	-55.8	-170.9	10.1	0	0	110.8	D132 K136 M137 K138	D132-Q134 WeakPolarHBondContact O-CG 3.48Å; D132-Q134 PolarHBondContact O-N 3.31Å; Q134-K136 PolarHBondContact O-N 3.14Å; Q134-M137 PolarHBondContact O-N 3.26Å; Q134-M137 VanDerWaalsContact O-N 3.13Å; Q134-K138 PolarHBondContact O-N 3.02Å; Q134-K138 VanDerWaalsContact O-N 3.17Å
135	G	91.1	Very high	94.9	Very high	61 Å²	61	37.7 Å²	37.7	63%	0.629	20%	0.204	S	C	*	.	H	α-helix	trans	50.9	-127.6	173.2	0	0	0	0	0	114.1	M137 K138 K139	G135-M137 VanDerWaalsContact C-N 3.28Å; G135-M137 PolarHBondContact O-N 3.18Å; G135-K138 PolarHBondContact O-N 2.91Å; G135-K139 PolarHBondContact O-N 3Å; G135-K139 VanDerWaalsContact O-N 3.09Å
136	K	89.4	Confident	94.9	Very high	71 Å²	71	39.9 Å²	39.9	31%	0.309	23%	0.228	S	C	.	.	H	α-helix	trans	-60.5	-35.6	-178.4	-67	179.9	-177.8	172.5	0	112.8	Q134 K139 S140	Q134-K136 PolarHBondContact O-N 3.14Å; K136-K139 PolarHBondContact O-N 3.41Å; K136-S140 WeakPolarHBondContact O-CB 3.34Å; K136-S140 PolarHBondContact O-N 3.33Å
137	M	88.5	Confident	94.8	Very high	25 Å²	25	43.6 Å²	43.6	12%	0.123	24%	0.238	C	C	.	.	H	α-helix	trans	-69.1	-40.3	179.1	-66.6	-59.7	-62.4	0	0	111.3	P31 F34 F133 Q134 G135 S140 L141	P31-M137 HydrophobicContact CB-CE 4.35Å; P31-M137 HydrophobicContact CB-CG 4.26Å; P31-M137 HydrophobicContact CG-CE 4.32Å; F34-M137 HydrophobicContact CB-SD 4.04Å; F34-M137 HydrophobicContact CD2-SD 4.19Å; F34-M137 HydrophobicContact CG-SD 4.25Å; F133-M137 HydrophobicContact CB-CB 3.95Å; F133-M137 HydrophobicContact CD1-CB 4.41Å; F133-M137 HydrophobicContact CD2-CB 4.49Å; F133-M137 HydrophobicContact CE1-CE 4.5Å; F133-M137 HydrophobicContact CG-CB 4.07Å; F133-M137 HydrophobicContact CZ-CE 4.43Å; Q134-M137 PolarHBondContact O-N 3.26Å; Q134-M137 VanDerWaalsContact O-N 3.13Å; G135-M137 VanDerWaalsContact C-N 3.28Å; G135-M137 PolarHBondContact O-N 3.18Å; M137-S140 PolarHBondContact O-N 3.39Å; M137-L141 WeakPolarHBondContact O-CB 3.45Å; M137-L141 PolarHBondContact O-N 2.98Å
138	K	93.3	Very high	94.7	Very high	46 Å²	46	45.3 Å²	45.3	20%	0.2	24%	0.244	C	C	.	.	H	α-helix	trans	-60.7	-48.6	174.1	-178.3	58	167.8	73.8	0	110.9	F133 Q134 G135 S140 L141 D142	F133-K138 HydrophobicContact CB-CB 4.41Å; F133-K138 WeakPolarHBondContact O-CB 3.32Å; Q134-K138 PolarHBondContact O-N 3.02Å; Q134-K138 VanDerWaalsContact O-N 3.17Å; G135-K138 PolarHBondContact O-N 2.91Å; K138-S140 VanDerWaalsContact C-N 3.34Å; K138-S140 PolarHBondContact O-N 2.82Å; K138-L141 PolarHBondContact O-N 2.88Å; K138-D142 IonicContact NZ-OD1 3.61Å; K138-D142 PolarHBondContact NZ-OD1 2.98Å; K138-D142 IonicContact NZ-OD2 3.16Å; K138-D142 PolarHBondContact NZ-OD2 3.44Å; K138-D142 PolarHBondContact O-N 3.09Å
139	K	94	Very high	94.6	Very high	100 Å²	100	51.4 Å²	51.4	44%	0.435	29%	0.287	S	S	.	.	H	α-helix	trans	-58.2	-45.6	177.4	-173.3	178.6	-179.3	175.5	0	111.9	G135 K136 L141 D142 E143	G135-K139 PolarHBondContact O-N 3Å; G135-K139 VanDerWaalsContact O-N 3.09Å; K136-K139 PolarHBondContact O-N 3.41Å; K139-L141 PolarHBondContact O-N 3.48Å; K139-D142 PolarHBondContact O-N 3.17Å; K139-E143 VanDerWaalsContact CE-OE1 3.23Å; K139-E143 WeakPolarHBondContact CE-OE1 3.4Å; K139-E143 WeakPolarHBondContact O-CG 3.41Å; K139-E143 PolarHBondContact O-N 2.85Å
140	S	93.9	Very high	94.6	Very high	32 Å²	32	53 Å²	53	22%	0.224	30%	0.296	C	S	.	.	H	α-helix	trans	-62.8	-41.1	177.9	-176.6	0	0	0	0	112.4	K136 M137 K138 S144	K136-S140 WeakPolarHBondContact O-CB 3.34Å; K136-S140 PolarHBondContact O-N 3.33Å; M137-S140 PolarHBondContact O-N 3.39Å; K138-S140 VanDerWaalsContact C-N 3.34Å; K138-S140 PolarHBondContact O-N 2.82Å; S140-S144 WeakPolarHBondContact O-CB 3.12Å; S140-S144 PolarHBondContact O-N 2.8Å; S140-S144 VanDerWaalsContact O-N 3.07Å
141	L	94.8	Very high	94.6	Very high	7 Å²	7	53.6 Å²	53.6	4%	0.037	30%	0.298	C	S	.	.	H	α-helix	trans	-62.9	-46	173.7	178.5	68.8	0	0	0	111.2	I111 H131 F133 M137 K138 K139 E143 S144 V145 T153	I111-L141 HydrophobicContact CD1-CD1 3.9Å; I111-L141 HydrophobicContact CG1-CD1 3.63Å; H131-L141 HydrophobicContact CB-CD2 4.42Å; H131-L141 WeakPolarHBondContact CD2-CD2 3.18Å; H131-L141 VanDerWaalsContact NE2-CD2 3.35Å; H131-L141 WeakPolarHBondContact NE2-CD2 3.3Å; F133-L141 HydrophobicContact CD2-CB 3.81Å; F133-L141 HydrophobicContact CD2-CD2 3.69Å; F133-L141 HydrophobicContact CD2-CG 4.22Å; F133-L141 HydrophobicContact CE2-CB 4.24Å; F133-L141 HydrophobicContact CE2-CD1 4.35Å; F133-L141 HydrophobicContact CE2-CD2 4.15Å; F133-L141 HydrophobicContact CE2-CG 4.48Å; M137-L141 WeakPolarHBondContact O-CB 3.45Å; M137-L141 PolarHBondContact O-N 2.98Å; K138-L141 PolarHBondContact O-N 2.88Å; K139-L141 PolarHBondContact O-N 3.48Å; L141-E143 PolarHBondContact O-N 3.35Å; L141-S144 WeakPolarHBondContact O-CB 3.32Å; L141-S144 PolarHBondContact O-N 3.45Å; L141-S144 VanDerWaalsContact O-N 3.13Å; L141-V145 HydrophobicContact CD1-CG2 3.96Å; L141-V145 HydrophobicContact CG-CG2 4.18Å; L141-V145 WeakPolarHBondContact O-CB 3.31Å; L141-V145 WeakPolarHBondContact O-CG2 3.3Å; L141-V145 PolarHBondContact O-N 2.93Å; L141-T153 HydrophobicContact CD2-CG2 4.25Å
142	D	95.9	Very high	94.6	Very high	60 Å²	60	57.8 Å²	57.8	32%	0.321	31%	0.314	S	S	.	.	H	α-helix	trans	-61.1	-45.3	-179.5	-68.3	-20.9	0	0	0	111.9	K138 K139 S144 V145 A146	K138-D142 IonicContact NZ-OD1 3.61Å; K138-D142 PolarHBondContact NZ-OD1 2.98Å; K138-D142 IonicContact NZ-OD2 3.16Å; K138-D142 PolarHBondContact NZ-OD2 3.44Å; K138-D142 PolarHBondContact O-N 3.09Å; K139-D142 PolarHBondContact O-N 3.17Å; D142-S144 VanDerWaalsContact C-N 3.26Å; D142-S144 PolarHBondContact O-N 2.85Å; D142-V145 PolarHBondContact O-N 2.95Å; D142-A146 VanDerWaalsContact O-CB 3.25Å; D142-A146 WeakPolarHBondContact O-CB 3.39Å; D142-A146 PolarHBondContact O-N 3.03Å
143	E	96.5	Very high	94.7	Very high	112 Å²	112	59.2 Å²	59.2	52%	0.523	32%	0.324	S	S	.	.	H	α-helix	trans	-61.7	-34.9	175.1	-72.7	170.8	-176.6	0	0	112.2	K139 L141	K139-E143 VanDerWaalsContact CE-OE1 3.23Å; K139-E143 WeakPolarHBondContact CE-OE1 3.4Å; K139-E143 WeakPolarHBondContact O-CG 3.41Å; K139-E143 PolarHBondContact O-N 2.85Å; L141-E143 PolarHBondContact O-N 3.35Å
144	S	95.7	Very high	94.8	Very high	7 Å²	7	59 Å²	59	5%	0.049	32%	0.323	C	S	.	.	H	α-helix	trans	-73	-45.5	177.5	-161.1	0	0	0	0	111.9	P112 S140 L141 D142 K147 Y148	P112-S144 WeakPolarHBondContact CD-OG 3.44Å; S140-S144 WeakPolarHBondContact O-CB 3.12Å; S140-S144 PolarHBondContact O-N 2.8Å; S140-S144 VanDerWaalsContact O-N 3.07Å; L141-S144 WeakPolarHBondContact O-CB 3.32Å; L141-S144 PolarHBondContact O-N 3.45Å; L141-S144 VanDerWaalsContact O-N 3.13Å; D142-S144 VanDerWaalsContact C-N 3.26Å; D142-S144 PolarHBondContact O-N 2.85Å; S144-K147 WeakPolarHBondContact O-CB 3.37Å; S144-K147 PolarHBondContact O-N 3.34Å; S144-Y148 VanDerWaalsContact O-CD2 3.29Å; S144-Y148 WeakPolarHBondContact O-CD2 3.37Å; S144-Y148 WeakPolarHBondContact O-CE2 3.16Å
145	V	96.5	Very high	95	Very high	16 Å²	16	57.3 Å²	57.3	10%	0.097	32%	0.315	C	S	.	.	H	α-helix	trans	-67.6	-36	178.5	168.5	0	0	0	0	111.8	I111 L141 D142 K147 Y148 I151 T153	I111-V145 HydrophobicContact CG1-CG2 4.21Å; L141-V145 HydrophobicContact CD1-CG2 3.96Å; L141-V145 HydrophobicContact CG-CG2 4.18Å; L141-V145 WeakPolarHBondContact O-CB 3.31Å; L141-V145 WeakPolarHBondContact O-CG2 3.3Å; L141-V145 PolarHBondContact O-N 2.93Å; D142-V145 PolarHBondContact O-N 2.95Å; V145-K147 PolarHBondContact O-N 3.41Å; V145-Y148 CarbonylContact O-C 3.51Å; V145-Y148 PolarHBondContact O-N 2.96Å; V145-I151 HydrophobicContact CG1-CB 4.08Å; V145-I151 HydrophobicContact CG1-CG2 3.92Å; V145-I151 HydrophobicContact CG2-CG2 4.02Å; V145-T153 HydrophobicContact CG1-CG2 4.23Å; V145-T153 HydrophobicContact CG2-CG2 3.93Å
146	A	96.3	Very high	95.1	Very high	87 Å²	87	54.6 Å²	54.6	72%	0.719	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.7	179.4	0	0	0	0	0	114	D142 Y148	D142-A146 VanDerWaalsContact O-CB 3.25Å; D142-A146 WeakPolarHBondContact O-CB 3.39Å; D142-A146 PolarHBondContact O-N 3.03Å; A146-Y148 VanDerWaalsContact C-N 3.26Å; A146-Y148 PolarHBondContact O-N 2.76Å
147	K	96.7	Very high	95.1	Very high	141 Å²	141	55 Å²	55	61%	0.613	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-11.4	174.5	-60.8	172.5	-177.4	174.4	0	113.3	S144 V145	S144-K147 WeakPolarHBondContact O-CB 3.37Å; S144-K147 PolarHBondContact O-N 3.34Å; V145-K147 PolarHBondContact O-N 3.41Å
148	Y	97.2	Very high	95.2	Very high	47 Å²	47	55.2 Å²	55.2	18%	0.184	29%	0.294	C	S	.	.			trans	-134.7	101.3	-171.6	-49.9	-72	0	0	0	110.9	I111 R115 S144 V145 A146 N150 I151	I111-Y148 HydrophobicContact CG2-CD2 3.9Å; I111-Y148 HydrophobicContact CG2-CE2 3.89Å; R115-Y148 VanDerWaalsContact CD-CE1 3.47Å; S144-Y148 VanDerWaalsContact O-CD2 3.29Å; S144-Y148 WeakPolarHBondContact O-CD2 3.37Å; S144-Y148 WeakPolarHBondContact O-CE2 3.16Å; V145-Y148 CarbonylContact O-C 3.51Å; V145-Y148 PolarHBondContact O-N 2.96Å; A146-Y148 VanDerWaalsContact C-N 3.26Å; A146-Y148 PolarHBondContact O-N 2.76Å; Y148-N150 PolarHBondContact O-N 2.69Å; Y148-N150 VanDerWaalsContact O-N 3.16Å; Y148-I151 HydrophobicContact CD2-CD1 3.85Å; Y148-I151 HydrophobicContact CG-CD1 3.88Å; Y148-I151 PolarHBondContact O-N 2.74Å; Y148-I151 VanDerWaalsContact O-N 3.12Å
149	S	96	Very high	94.9	Very high	130 Å²	130	58.7 Å²	58.7	91%	0.909	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.4	-176	55.7	0	0	0	0	114.8	I151	S149-I151 VanDerWaalsContact C-N 3.34Å
150	N	97.8	Very high	94.8	Very high	34 Å²	34	54.8 Å²	54.8	18%	0.182	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-4.5	178.2	62.2	-60	0	0	0	113.9	R123 S124 L125 P126 L127 Y148	R123-N150 PolarHBondContact O-ND2 3.07Å; S124-N150 VanDerWaalsContact O-CB 3.24Å; S124-N150 WeakPolarHBondContact O-CB 3.08Å; L125-N150 PolarHBondContact O-ND2 3.41Å; P126-N150 WeakPolarHBondContact CA-O 3.47Å; L127-N150 PolarHBondContact N-O 2.95Å; Y148-N150 PolarHBondContact O-N 2.69Å; Y148-N150 VanDerWaalsContact O-N 3.16Å
151	I	98.4	Very high	94.7	Very high	12 Å²	12	57.5 Å²	57.5	6%	0.062	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.9	-178.3	-55.2	-175	0	0	0	110.1	I111 L127 I129 V145 Y148 S149	I111-I151 HydrophobicContact CG2-CD1 3.65Å; L127-I151 HydrophobicContact CB-CG1 4.26Å; L127-I151 HydrophobicContact CD2-CD1 4.08Å; L127-I151 HydrophobicContact CD2-CG1 4.26Å; L127-I151 CarbonylContact O-C 3.51Å; L127-I151 VanDerWaalsContact O-CA 3.3Å; L127-I151 WeakPolarHBondContact O-CA 2.98Å; I129-I151 HydrophobicContact CG1-CG2 3.72Å; V145-I151 HydrophobicContact CG1-CB 4.08Å; V145-I151 HydrophobicContact CG1-CG2 3.92Å; V145-I151 HydrophobicContact CG2-CG2 4.02Å; Y148-I151 HydrophobicContact CD2-CD1 3.85Å; Y148-I151 HydrophobicContact CG-CD1 3.88Å; Y148-I151 PolarHBondContact O-N 2.74Å; Y148-I151 VanDerWaalsContact O-N 3.12Å; S149-I151 VanDerWaalsContact C-N 3.34Å
152	R	97.3	Very high	94.3	Very high	87 Å²	87	65.4 Å²	65.4	33%	0.328	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	152.6	173.2	-63.6	-172	-69.3	168.4	-4.9	110.5	L127 T128 I129 P247 E250	L127-R152 PolarHBondContact O-N 3.33Å; T128-R152 CarbonylContact C-O 3.56Å; T128-R152 VanDerWaalsContact CA-O 3.31Å; T128-R152 WeakPolarHBondContact CA-O 3.32Å; I129-R152 PolarHBondContact N-O 3.04Å; R152-P247 HydrophobicContact CB-CG 3.91Å; R152-E250 IonicContact CZ-OE1 3.65Å; R152-E250 IonicContact CZ-OE2 2.84Å; R152-E250 IonicContact NH1-OE1 3.22Å; R152-E250 PolarHBondContact NH1-OE1 3.09Å; R152-E250 IonicContact NH1-OE2 2.71Å; R152-E250 VanDerWaalsContact NH2-CD 3.33Å; R152-E250 IonicContact NH2-OE1 3.22Å; R152-E250 PolarHBondContact NH2-OE1 3.46Å; R152-E250 IonicContact NH2-OE2 3.5Å; R152-E250 PolarHBondContact NH2-OE2 3.43Å
153	T	96.5	Very high	94.2	Very high	46 Å²	46	63.1 Å²	63.1	28%	0.282	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.1	-178.8	55.9	0	0	0	0	112.2	I129 L141 V145	I129-T153 HydrophobicContact CB-CG2 4.27Å; I129-T153 CarbonylContact O-C 3.58Å; I129-T153 VanDerWaalsContact O-CA 3.27Å; I129-T153 WeakPolarHBondContact O-CA 3.34Å; L141-T153 HydrophobicContact CD2-CG2 4.25Å; V145-T153 HydrophobicContact CG1-CG2 4.23Å; V145-T153 HydrophobicContact CG2-CG2 3.93Å
154	C	95.4	Very high	94.1	Very high	2 Å²	2	60 Å²	60	1%	0.014	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	123.1	166.2	-69.3	0	0	0	0	109.3	I129 V130 H131 L240 P247	I129-C154 PolarHBondContact O-N 2.93Å; V130-C154 WeakPolarHBondContact CA-O 3.37Å; V130-C154 HydrophobicContact CG1-CB 4.34Å; V130-C154 HydrophobicContact CG2-CB 4.2Å; H131-C154 PolarHBondContact N-O 3.43Å; H131-C154 VanDerWaalsContact N-O 3.08Å; C154-L240 HydrophobicContact CB-CD1 4.26Å; C154-L240 HydrophobicContact CB-CD2 4.29Å; C154-P247 VanDerWaalsContact SG-CG 3.55Å
155	Q	94.7	Very high	94.2	Very high	81 Å²	81	59.6 Å²	59.6	38%	0.379	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	108.9	177.8	-173.2	176.1	-3.1	0	0	110.6	H131 F133 L240	H131-Q155 CarbonylContact O-C 3.34Å; H131-Q155 VanDerWaalsContact O-CA 3.26Å; H131-Q155 WeakPolarHBondContact O-CA 3.45Å; F133-Q155 PolarHBondContact O-NE2 3.33Å; Q155-L240 VanDerWaalsContact O-CD1 3.3Å; Q155-L240 WeakPolarHBondContact O-CD1 3.37Å
156	A	93.4	Very high	94.2	Very high	4 Å²	4	59.6 Å²	59.6	3%	0.033	31%	0.312	C	S	.	.			trans	-62	134.8	178.7	0	0	0	0	0	111.9	H131 I158 H165 Y236	H131-A156 PolarHBondContact O-N 2.99Å; A156-I158 PolarHBondContact O-N 3.01Å; A156-H165 HydrophobicContact CB-CB 4.24Å; A156-Y236 HydrophobicContact CB-CD1 3.54Å; A156-Y236 HydrophobicContact CB-CE1 3.59Å
157	D	89	Confident	94.3	Very high	80 Å²	80	55.4 Å²	55.4	43%	0.428	28%	0.277	S	S	.	.			trans	-76.9	104.5	176.8	175.8	24.9	0	0	0	111.9	R159 Y437	D157-R159 PolarHBondContact O-N 3.35Å; D157-Y437 WeakPolarHBondContact O-CE2 3.41Å; D157-Y437 PolarHBondContact O-OH 2.88Å
158	I	91.1	Very high	94.4	Very high	29 Å²	29	48.7 Å²	48.7	15%	0.149	25%	0.248	C	C	.	.			trans	-84.5	97.4	172.7	-54.3	-55.2	0	0	0	110.1	D132 A156 L160 G163 V164 H165 Y437	D132-I158 HydrophobicContact CB-CD1 3.92Å; D132-I158 HydrophobicContact CB-CG1 3.61Å; A156-I158 PolarHBondContact O-N 3.01Å; I158-L160 VanDerWaalsContact C-N 3.28Å; I158-L160 WeakPolarHBondContact CG2-O 3.35Å; I158-L160 PolarHBondContact O-N 2.92Å; I158-G163 WeakPolarHBondContact CG2-O 3.25Å; I158-V164 VanDerWaalsContact CD1-C 3.49Å; I158-H165 HydrophobicContact CD1-CB 4.06Å; I158-Y437 HydrophobicContact CD1-CD2 3.61Å; I158-Y437 HydrophobicContact CD1-CE2 3.77Å
159	R	86.9	Confident	94.5	Very high	119 Å²	119	46.5 Å²	46.5	45%	0.449	24%	0.239	S	C	.	.			trans	-70.1	-13.6	-173.4	-52	-173.3	-166.6	173.8	3.6	116.2	D157 S235 S272	D157-R159 PolarHBondContact O-N 3.35Å; R159-S235 PolarHBondContact NH2-O 2.85Å; R159-S272 WeakPolarHBondContact CD-O 3.46Å; R159-S272 PolarHBondContact N-OG 3.33Å
160	L	91.8	Very high	94.6	Very high	18 Å²	18	40.3 Å²	40.3	9%	0.094	20%	0.196	C	C	.	.	S	Bend	trans	-135.2	142	-173	-66	178.8	0	0	0	112	I158 G163 M433 I434 R435	I158-L160 VanDerWaalsContact C-N 3.28Å; I158-L160 WeakPolarHBondContact CG2-O 3.35Å; I158-L160 PolarHBondContact O-N 2.92Å; L160-G163 PolarHBondContact O-N 2.89Å; L160-G163 VanDerWaalsContact O-N 3.12Å; L160-M433 HydrophobicContact CD1-CG 3.6Å; L160-M433 HydrophobicContact CD1-SD 4.22Å; L160-I434 WeakPolarHBondContact CD1-O 3.24Å; L160-R435 HydrophobicContact CB-CG 4.34Å; L160-R435 HydrophobicContact CD1-CG 4.31Å
161	P	90	Very high	94.7	Very high	88 Å²	88	38.7 Å²	38.7	57%	0.571	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	147.5	174.4	-25.5	33.8	0	0	0	112.6	G163 R435	P161-G163 PolarHBondContact O-N 3.26Å; P161-G163 VanDerWaalsContact O-N 3.09Å; P161-R435 PolarHBondContact O-NH1 3.01Å
162	Y	87	Confident	94.7	Very high	174 Å²	174	38.1 Å²	38.1	68%	0.682	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	9.6	-176.2	-43.4	-71.1	0	0	0	114.7
163	G	93.1	Very high	94.7	Very high	12 Å²	12	37.1 Å²	37.1	12%	0.124	18%	0.183	C	C	.	.			trans	-78.2	154.4	166.2	0	0	0	0	0	111.3	I158 L160 P161 R435	I158-G163 WeakPolarHBondContact CG2-O 3.25Å; L160-G163 PolarHBondContact O-N 2.89Å; L160-G163 VanDerWaalsContact O-N 3.12Å; P161-G163 PolarHBondContact O-N 3.26Å; P161-G163 VanDerWaalsContact O-N 3.09Å; G163-R435 WeakPolarHBondContact CA-O 3.44Å
164	V	95.3	Very high	94.7	Very high	45 Å²	45	35.1 Å²	35.1	27%	0.273	17%	0.17	S	C	.	.			trans	-141.2	159.8	172.7	-69.2	0	0	0	0	110.9	F107 D132 I158 H166 S436 Y437	F107-V164 HydrophobicContact CD2-CB 4.24Å; F107-V164 HydrophobicContact CE2-CB 3.85Å; F107-V164 HydrophobicContact CE2-CG1 3.81Å; F107-V164 HydrophobicContact CE2-CG2 4.31Å; F107-V164 HydrophobicContact CZ-CG1 4.47Å; D132-V164 WeakPolarHBondContact OD2-CA 3.37Å; I158-V164 VanDerWaalsContact CD1-C 3.49Å; V164-H166 HydrophobicContact CG2-CB 3.94Å; V164-H166 PolarHBondContact O-N 3.05Å; V164-S436 PolarHBondContact N-OG 3.12Å; V164-S436 CarbonylContact O-C 3.57Å; V164-S436 WeakPolarHBondContact O-CA 3.43Å; V164-S436 VanDerWaalsContact O-CB 3.24Å; V164-S436 WeakPolarHBondContact O-CB 3.18Å; V164-Y437 PolarHBondContact O-N 2.91Å
165	H	97	Very high	94.6	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-86.4	98.9	165.1	-178.4	-90	0	0	0	108.3	N106 F107 D132 A156 I158 Y236	N106-H165 PolarHBondContact O-ND1 2.8Å; F107-H165 WeakPolarHBondContact CA-O 3.29Å; F107-H165 WeakPolarHBondContact CD2-O 3.44Å; D132-H165 HydrophobicContact CB-CB 3.56Å; D132-H165 PolarHBondContact OD2-N 2.95Å; A156-H165 HydrophobicContact CB-CB 4.24Å; I158-H165 HydrophobicContact CD1-CB 4.06Å; H165-Y236 AromaticContact CD2-CE1 3.68Å; H165-Y236 AromaticContact CD2-CZ 3.85Å; H165-Y236 PolarHBondContact CD2-OH 2.76Å; H165-Y236 AromaticContact NE2-CE1 3.44Å; H165-Y236 WeakPolarHBondContact NE2-CE1 3.5Å; H165-Y236 AromaticContact NE2-CZ 3.47Å; H165-Y236 PolarHBondContact NE2-OH 2.79Å
166	H	97.8	Very high	94.5	Very high	15 Å²	15	41.4 Å²	41.4	7%	0.069	20%	0.2	C	C	.	.			trans	-112.2	4.9	-172.7	-166.1	-105.2	0	0	0	113.4	F107 V164 K168 S414 N416 Y437 E438	F107-H166 AromaticContact CD1-CD2 3.83Å; F107-H166 AromaticContact CG-CD2 3.7Å; V164-H166 HydrophobicContact CG2-CB 3.94Å; V164-H166 PolarHBondContact O-N 3.05Å; H166-K168 PolarHBondContact CD2-NZ 2.95Å; H166-K168 PolarHBondContact CE1-NZ 3.28Å; H166-K168 PolarHBondContact NE2-NZ 3.48Å; H166-K168 PolarHBondContact O-NZ 3.35Å; H166-S414 PolarHBondContact CE1-O 2.8Å; H166-S414 PolarHBondContact ND1-O 2.82Å; H166-S414 WeakPolarHBondContact O-CB 3.44Å; H166-S414 PolarHBondContact O-OG 2.8Å; H166-N416 PolarHBondContact CE1-ND2 3.15Å; H166-Y437 CarbonylContact C-O 3.51Å; H166-Y437 WeakPolarHBondContact CA-O 3.37Å; H166-Y437 PolarHBondContact N-O 2.95Å; H166-E438 WeakPolarHBondContact CB-OE2 3.38Å; H166-E438 IonicContact CG-OE1 2.73Å; H166-E438 IonicContact CG-OE2 3.64Å; H166-E438 IonicContact ND1-OE1 2.72Å; H166-E438 PolarHBondContact ND1-OE1 2.98Å; H166-E438 IonicContact ND1-OE2 3.98Å; H166-E438 PolarHBondContact ND1-OE2 2.75Å
167	T	98.6	Very high	94.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.199	C	C	.	.			trans	-61.3	140.9	174.2	-67.6	0	0	0	0	111.5	F105 N106 M169 Y232 Y437 E438 L439	F105-T167 CarbonylContact C-O 3.51Å; F105-T167 VanDerWaalsContact C-O 3.32Å; F105-T167 HydrophobicContact CB-CG2 3.9Å; F105-T167 VanDerWaalsContact O-O 3.07Å; N106-T167 WeakPolarHBondContact CA-O 3.23Å; N106-T167 PolarHBondContact N-O 3.39Å; T167-M169 HydrophobicContact CG2-CB 4.09Å; T167-Y232 VanDerWaalsContact CB-OH 3.23Å; T167-Y232 WeakPolarHBondContact CB-OH 3.18Å; T167-Y232 HydrophobicContact CG2-CE1 4.44Å; T167-Y232 WeakPolarHBondContact CG2-OH 3.3Å; T167-Y232 PolarHBondContact OG1-OH 2.74Å; T167-Y437 PolarHBondContact N-O 2.76Å; T167-Y437 VanDerWaalsContact N-O 3.09Å; T167-Y437 PolarHBondContact OG1-O 3.37Å; T167-E438 WeakPolarHBondContact OG1-CA 3.31Å; T167-E438 PolarHBondContact OG1-N 3.1Å; T167-L439 HydrophobicContact CG2-CB 3.68Å; T167-L439 HydrophobicContact CG2-CD2 4.13Å
168	K	98.6	Very high	95	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.178	C	C	.	.			trans	-132.7	89.3	-177.3	-71.1	167.8	-178.6	54.9	0	108.1	F105 H166 H183 T184 A185 N186	F105-K168 VanDerWaalsContact O-CA 3.31Å; F105-K168 WeakPolarHBondContact O-CA 3.23Å; H166-K168 PolarHBondContact CD2-NZ 2.95Å; H166-K168 PolarHBondContact CE1-NZ 3.28Å; H166-K168 PolarHBondContact NE2-NZ 3.48Å; H166-K168 PolarHBondContact O-NZ 3.35Å; K168-H183 WeakPolarHBondContact CB-O 3.46Å; K168-H183 PolarHBondContact O-N 3.15Å; K168-T184 WeakPolarHBondContact CD-O 3.32Å; K168-T184 WeakPolarHBondContact CE-O 3.28Å; K168-A185 WeakPolarHBondContact CD-O 3.33Å; K168-A185 WeakPolarHBondContact CG-O 3.5Å; K168-N186 VanDerWaalsContact CE-OD1 3.26Å; K168-N186 WeakPolarHBondContact CE-OD1 3.31Å; K168-N186 PolarHBondContact NZ-OD1 2.87Å
169	M	98.8	Very high	95.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	145.4	-174.6	-178.6	-179.1	71.3	0	0	109	F105 T167 M171 I180 I181 I182 L229 L233 L439	F105-M169 HydrophobicContact CB-CB 4.18Å; F105-M169 WeakPolarHBondContact CB-O 3.36Å; F105-M169 HydrophobicContact CD1-CE 4.32Å; F105-M169 HydrophobicContact CD2-CB 4.24Å; F105-M169 HydrophobicContact CD2-CE 3.37Å; F105-M169 HydrophobicContact CE1-CE 4.19Å; F105-M169 HydrophobicContact CE2-CE 3.23Å; F105-M169 HydrophobicContact CG-CB 4.44Å; F105-M169 HydrophobicContact CG-CE 3.94Å; F105-M169 HydrophobicContact CZ-CE 3.68Å; F105-M169 PolarHBondContact N-O 3.19Å; F105-M169 PolarHBondContact O-N 3.29Å; F105-M169 VanDerWaalsContact O-N 3.09Å; T167-M169 HydrophobicContact CG2-CB 4.09Å; M169-M171 HydrophobicContact CE-CE 4.3Å; M169-M171 HydrophobicContact CE-CG 4.31Å; M169-M171 HydrophobicContact CE-SD 4.25Å; M169-I180 HydrophobicContact CG-CG2 4.38Å; M169-I180 HydrophobicContact SD-CG2 4.17Å; M169-I181 CarbonylContact C-O 3.54Å; M169-I181 VanDerWaalsContact CA-O 3.23Å; M169-I181 WeakPolarHBondContact CA-O 3.36Å; M169-I181 WeakPolarHBondContact CG-O 3.09Å; M169-I182 HydrophobicContact CB-CG1 4.34Å; M169-I182 HydrophobicContact CG-CG1 3.96Å; M169-I182 HydrophobicContact SD-CG1 4.34Å; M169-L229 HydrophobicContact CE-CD1 4.22Å; M169-L229 HydrophobicContact SD-CD1 3.96Å; M169-L233 HydrophobicContact CE-CD2 4.2Å; M169-L439 HydrophobicContact CB-CD2 4.07Å; M169-L439 HydrophobicContact CE-CD2 4.38Å; M169-L439 HydrophobicContact CG-CD2 4.19Å; M169-L439 HydrophobicContact SD-CD2 3.39Å; M169-L439 WeakPolarHBondContact SD-CD2 3.25Å
170	M	98.5	Very high	95.9	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	147.5	164.1	64.4	-177.7	77.9	0	0	111.2	L88 I91 L92 I103 Q104 I181 M187	L88-M170 HydrophobicContact CD1-CE 3.9Å; I91-M170 HydrophobicContact CG2-SD 3.95Å; L92-M170 HydrophobicContact CD2-SD 4.01Å; I103-M170 CarbonylContact O-C 3.4Å; I103-M170 WeakPolarHBondContact O-CA 3.31Å; I103-M170 WeakPolarHBondContact O-CB 3.07Å; Q104-M170 VanDerWaalsContact CD-CB 3.48Å; Q104-M170 VanDerWaalsContact NE2-CB 3.33Å; Q104-M170 VanDerWaalsContact OE1-CB 3.29Å; M170-I181 HydrophobicContact CG-CB 3.66Å; M170-I181 HydrophobicContact CG-CD1 3.99Å; M170-I181 HydrophobicContact CG-CG1 4.29Å; M170-I181 HydrophobicContact CG-CG2 4.21Å; M170-I181 PolarHBondContact N-O 3.42Å; M170-I181 PolarHBondContact O-N 3.21Å; M170-M187 HydrophobicContact CE-CE 4.15Å; M170-M187 HydrophobicContact CE-SD 4.3Å
171	M	98.6	Very high	96.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.8	172.3	-55.5	-173.6	-70.7	0	0	108.6	S102 I103 F105 M169 L178 K179 I180 L229 L233 W251 L255	S102-M171 VanDerWaalsContact CA-O 3.28Å; S102-M171 WeakPolarHBondContact CA-O 3.38Å; I103-M171 HydrophobicContact CG2-CB 3.65Å; I103-M171 HydrophobicContact CG2-CE 3.51Å; I103-M171 HydrophobicContact CG2-CG 4.17Å; I103-M171 PolarHBondContact N-O 3.17Å; I103-M171 PolarHBondContact O-N 3.44Å; F105-M171 HydrophobicContact CE2-CE 3.99Å; F105-M171 HydrophobicContact CZ-CE 4.31Å; M169-M171 HydrophobicContact CE-CE 4.3Å; M169-M171 HydrophobicContact CE-CG 4.31Å; M169-M171 HydrophobicContact CE-SD 4.25Å; M171-L178 HydrophobicContact CB-CD1 4.33Å; M171-K179 WeakPolarHBondContact CA-O 3.41Å; M171-I180 HydrophobicContact CG-CG1 4.19Å; M171-I180 HydrophobicContact CG-CG2 4.33Å; M171-I180 HydrophobicContact SD-CG1 4.35Å; M171-L229 HydrophobicContact SD-CD2 4.38Å; M171-L233 HydrophobicContact CE-CD1 4.38Å; M171-W251 HydrophobicContact CB-CE3 4.26Å; M171-W251 HydrophobicContact CB-CH2 4.44Å; M171-W251 HydrophobicContact CB-CZ3 3.83Å; M171-W251 HydrophobicContact CE-CB 4.29Å; M171-W251 HydrophobicContact CE-CD2 4.28Å; M171-W251 HydrophobicContact CE-CE3 3.86Å; M171-W251 HydrophobicContact CE-CG 4.47Å; M171-L255 HydrophobicContact SD-CD2 3.88Å
172	L	98.3	Very high	96.7	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	107.8	-175.6	-57.5	-178.5	0	0	0	108.1	I91 L92 L99 Y174 L178 K179 I181	I91-L172 HydrophobicContact CG2-CD1 4.15Å; L92-L172 HydrophobicContact CD2-CD1 4.41Å; L92-L172 HydrophobicContact CD2-CD2 4.02Å; L99-L172 HydrophobicContact CD1-CB 3.86Å; L99-L172 HydrophobicContact CD1-CD2 4.33Å; L172-Y174 HydrophobicContact CB-CE2 3.69Å; L172-Y174 WeakPolarHBondContact CD1-OH 3.35Å; L172-Y174 WeakPolarHBondContact O-CD2 3.34Å; L172-Y174 WeakPolarHBondContact O-CE2 3.39Å; L172-L178 WeakPolarHBondContact O-CA 3.29Å; L172-K179 PolarHBondContact N-O 2.83Å; L172-K179 PolarHBondContact O-N 2.92Å; L172-I181 HydrophobicContact CD1-CD1 3.75Å; L172-I181 HydrophobicContact CG-CD1 3.85Å
173	K	97.9	Very high	97.2	Very high	67 Å²	67	17.8 Å²	17.8	29%	0.291	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	116.7	177.7	-179.2	-178.8	-179.1	175.3	0	108.7	L99 V100 S101 L178 W251	L99-K173 WeakPolarHBondContact CD1-O 3.35Å; V100-K173 HydrophobicContact CB-CG 4.46Å; V100-K173 PolarHBondContact N-O 2.8Å; S101-K173 PolarHBondContact N-O 2.87Å; S101-K173 WeakPolarHBondContact O-CB 3.31Å; S101-K173 PolarHBondContact O-N 2.77Å; K173-L178 HydrophobicContact CB-CD1 4.26Å; K173-W251 HydrophobicContact CB-CH2 3.71Å; K173-W251 HydrophobicContact CB-CZ3 4.03Å
174	Y	96.6	Very high	97.5	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.016	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	166.7	172	-57.3	-87.5	0	0	0	109.9	S94 D96 E98 L99 L172 D176 G177 K179	S94-Y174 PolarHBondContact OG-OH 2.92Å; S94-Y174 VanDerWaalsContact OG-OH 3.05Å; D96-Y174 HydrophobicContact CB-CD1 4.31Å; D96-Y174 HydrophobicContact CB-CD2 4.47Å; D96-Y174 HydrophobicContact CB-CE1 4.04Å; D96-Y174 HydrophobicContact CB-CE2 4.19Å; E98-Y174 CarbonylContact O-C 3.45Å; E98-Y174 VanDerWaalsContact O-CA 3.29Å; E98-Y174 WeakPolarHBondContact O-CA 3.39Å; L99-Y174 HydrophobicContact CB-CD1 4.33Å; L99-Y174 HydrophobicContact CB-CE1 4.3Å; L99-Y174 HydrophobicContact CD1-CD1 4.27Å; L99-Y174 HydrophobicContact CD1-CE1 3.99Å; L172-Y174 HydrophobicContact CB-CE2 3.69Å; L172-Y174 WeakPolarHBondContact CD1-OH 3.35Å; L172-Y174 WeakPolarHBondContact O-CD2 3.34Å; L172-Y174 WeakPolarHBondContact O-CE2 3.39Å; Y174-D176 PolarHBondContact O-N 3.41Å; Y174-G177 WeakPolarHBondContact CA-O 3.28Å; Y174-G177 WeakPolarHBondContact CB-O 3.4Å; Y174-G177 PolarHBondContact N-O 3.24Å; Y174-K179 HydrophobicContact CE2-CB 4.18Å; Y174-K179 HydrophobicContact CE2-CG 4.19Å
175	K	94.3	Very high	97.6	Very high	125 Å²	125	15.1 Å²	15.1	54%	0.543	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-34	177.1	-77.3	-172.5	174.9	170.6	0	113.3	E98 V100	E98-K175 HydrophobicContact CB-CD 4.03Å; E98-K175 HydrophobicContact CB-CG 4.21Å; E98-K175 HydrophobicContact CG-CD 4.41Å; E98-K175 PolarHBondContact O-N 3.28Å; E98-K175 VanDerWaalsContact OE1-CE 3.23Å; E98-K175 WeakPolarHBondContact OE1-CE 3.21Å; E98-K175 IonicContact OE1-NZ 3.16Å; E98-K175 PolarHBondContact OE1-NZ 2.97Å; E98-K175 VanDerWaalsContact OE2-CE 3.23Å; E98-K175 WeakPolarHBondContact OE2-CE 3.43Å; E98-K175 IonicContact OE2-NZ 2.7Å; E98-K175 PolarHBondContact OE2-NZ 3.42Å; V100-K175 HydrophobicContact CG2-CB 4.27Å; V100-K175 HydrophobicContact CG2-CG 3.52Å
176	D	91.8	Very high	97.6	Very high	90 Å²	90	15.3 Å²	15.3	48%	0.481	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.6	11.7	-171.2	66	-34.7	0	0	0	113.2	Y174 K204	Y174-D176 PolarHBondContact O-N 3.41Å; D176-K204 WeakPolarHBondContact OD1-CE 3.43Å; D176-K204 IonicContact OD1-NZ 3.13Å; D176-K204 PolarHBondContact OD1-NZ 2.85Å; D176-K204 IonicContact OD2-NZ 2.67Å; D176-K204 PolarHBondContact OD2-NZ 2.79Å
177	G	96.2	Very high	97.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179	-179.6	177.9	0	0	0	0	0	115.3	Y174 L205 Y258	Y174-G177 WeakPolarHBondContact CA-O 3.28Å; Y174-G177 WeakPolarHBondContact CB-O 3.4Å; Y174-G177 PolarHBondContact N-O 3.24Å; G177-L205 CarbonylContact C-O 3.45Å; G177-L205 WeakPolarHBondContact CA-O 3.29Å; G177-Y258 VanDerWaalsContact C-CE1 3.45Å
178	L	97.5	Very high	97.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	138.5	179.2	178.8	74.7	0	0	0	109.8	M171 L172 K173 I180 L205 W251 L255 Y258	M171-L178 HydrophobicContact CB-CD1 4.33Å; L172-L178 WeakPolarHBondContact O-CA 3.29Å; K173-L178 HydrophobicContact CB-CD1 4.26Å; L178-I180 HydrophobicContact CD2-CD1 4.47Å; L178-I180 HydrophobicContact CD2-CG1 4.3Å; L178-I180 HydrophobicContact CG-CG1 4.49Å; L178-L205 HydrophobicContact CB-CB 4.34Å; L178-L205 HydrophobicContact CD2-CD1 4.36Å; L178-L205 PolarHBondContact N-O 3.07Å; L178-L205 WeakPolarHBondContact O-CB 3.27Å; L178-L205 WeakPolarHBondContact O-CG 3.35Å; L178-L205 PolarHBondContact O-N 3.24Å; L178-W251 HydrophobicContact CD1-CZ3 3.95Å; L178-L255 HydrophobicContact CD2-CD2 3.63Å; L178-Y258 HydrophobicContact CB-CD1 3.64Å; L178-Y258 HydrophobicContact CB-CD2 3.96Å; L178-Y258 HydrophobicContact CB-CE1 3.62Å; L178-Y258 HydrophobicContact CB-CE2 3.94Å; L178-Y258 HydrophobicContact CB-CG 3.83Å; L178-Y258 HydrophobicContact CD2-CD2 3.8Å; L178-Y258 HydrophobicContact CD2-CE2 4.11Å; L178-Y258 HydrophobicContact CD2-CG 4.19Å; L178-Y258 HydrophobicContact CG-CD2 4.47Å; L178-Y258 HydrophobicContact CG-CE2 4.47Å
179	K	97.5	Very high	97.3	Very high	14 Å²	14	16.8 Å²	16.8	6%	0.061	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	141.6	163.7	-74.7	-167.6	170.1	179.6	0	111	D96 M171 L172 Y174 I181 M201 K204	D96-K179 VanDerWaalsContact OD1-CE 3.28Å; D96-K179 WeakPolarHBondContact OD1-CE 3.49Å; D96-K179 IonicContact OD1-NZ 3.75Å; D96-K179 PolarHBondContact OD1-NZ 3.37Å; D96-K179 VanDerWaalsContact OD2-CD 3.27Å; D96-K179 WeakPolarHBondContact OD2-CD 3.32Å; D96-K179 WeakPolarHBondContact OD2-CE 3.29Å; D96-K179 IonicContact OD2-NZ 3.32Å; D96-K179 PolarHBondContact OD2-NZ 2.83Å; M171-K179 WeakPolarHBondContact CA-O 3.41Å; L172-K179 PolarHBondContact N-O 2.83Å; L172-K179 PolarHBondContact O-N 2.92Å; Y174-K179 HydrophobicContact CE2-CB 4.18Å; Y174-K179 HydrophobicContact CE2-CG 4.19Å; K179-I181 HydrophobicContact CB-CD1 4Å; K179-M201 HydrophobicContact CD-CE 4.44Å; K179-K204 HydrophobicContact CG-CB 4.34Å
180	I	98.6	Very high	97	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130	174.2	-56.2	174.7	0	0	0	107.2	M169 M171 L178 W200 S202 L205 F225 L229 L255 F260	M169-I180 HydrophobicContact CG-CG2 4.38Å; M169-I180 HydrophobicContact SD-CG2 4.17Å; M171-I180 HydrophobicContact CG-CG1 4.19Å; M171-I180 HydrophobicContact CG-CG2 4.33Å; M171-I180 HydrophobicContact SD-CG1 4.35Å; L178-I180 HydrophobicContact CD2-CD1 4.47Å; L178-I180 HydrophobicContact CD2-CG1 4.3Å; L178-I180 HydrophobicContact CG-CG1 4.49Å; I180-W200 HydrophobicContact CG2-CZ3 4.26Å; I180-S202 PolarHBondContact N-OG 3.41Å; I180-S202 PolarHBondContact O-N 3.35Å; I180-S202 PolarHBondContact O-OG 3.36Å; I180-L205 HydrophobicContact CD1-CD1 4.06Å; I180-L205 HydrophobicContact CG1-CD1 4.47Å; I180-F225 HydrophobicContact CD1-CE1 4Å; I180-L229 HydrophobicContact CD1-CD2 3.76Å; I180-L255 HydrophobicContact CD1-CD2 4.48Å; I180-F260 HydrophobicContact CD1-CE1 3.57Å; I180-F260 HydrophobicContact CD1-CZ 3.81Å
181	I	98.7	Very high	96.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	124.9	-178.4	-58.7	93	0	0	0	107.9	I91 M169 M170 L172 K179 I199 W200 M201	I91-I181 HydrophobicContact CG2-CD1 4.37Å; I91-I181 HydrophobicContact CG2-CG1 4.23Å; M169-I181 CarbonylContact C-O 3.54Å; M169-I181 VanDerWaalsContact CA-O 3.23Å; M169-I181 WeakPolarHBondContact CA-O 3.36Å; M169-I181 WeakPolarHBondContact CG-O 3.09Å; M170-I181 HydrophobicContact CG-CB 3.66Å; M170-I181 HydrophobicContact CG-CD1 3.99Å; M170-I181 HydrophobicContact CG-CG1 4.29Å; M170-I181 HydrophobicContact CG-CG2 4.21Å; M170-I181 PolarHBondContact N-O 3.42Å; M170-I181 PolarHBondContact O-N 3.21Å; L172-I181 HydrophobicContact CD1-CD1 3.75Å; L172-I181 HydrophobicContact CG-CD1 3.85Å; K179-I181 HydrophobicContact CB-CD1 4Å; I181-I199 HydrophobicContact CG2-CG2 3.52Å; I181-W200 CarbonylContact C-O 3.52Å; I181-W200 VanDerWaalsContact CA-O 3.25Å; I181-W200 WeakPolarHBondContact CA-O 3.43Å; I181-W200 WeakPolarHBondContact CG2-O 3.46Å; I181-M201 HydrophobicContact CG1-CB 4.28Å; I181-M201 HydrophobicContact CG1-CE 4.15Å; I181-M201 HydrophobicContact CG1-CG 3.83Å; I181-M201 HydrophobicContact CG2-CG 4.1Å
182	I	98.9	Very high	96.8	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127	175.4	-64.8	169.6	0	0	0	107.4	M169 W200 F225 L267 L439 V441	M169-I182 HydrophobicContact CB-CG1 4.34Å; M169-I182 HydrophobicContact CG-CG1 3.96Å; M169-I182 HydrophobicContact SD-CG1 4.34Å; I182-W200 HydrophobicContact CB-CE3 4.08Å; I182-W200 HydrophobicContact CD1-CE3 4.07Å; I182-W200 HydrophobicContact CD1-CZ3 3.94Å; I182-W200 HydrophobicContact CG1-CE3 4.14Å; I182-W200 HydrophobicContact CG1-CZ3 4.28Å; I182-W200 PolarHBondContact N-O 2.88Å; I182-W200 PolarHBondContact O-N 2.94Å; I182-F225 HydrophobicContact CD1-CZ 4.25Å; I182-L267 HydrophobicContact CD1-CD1 3.62Å; I182-L439 HydrophobicContact CD1-CD2 3.81Å; I182-L439 HydrophobicContact CD1-CG 4.11Å; I182-L439 HydrophobicContact CG1-CD2 4.08Å; I182-V441 HydrophobicContact CB-CG1 4.43Å; I182-V441 HydrophobicContact CD1-CG1 3.52Å
183	H	98.8	Very high	96.6	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	-178.2	-170.8	62.7	90.5	0	0	0	112.5	K168 A185 W192 G198 I199	K168-H183 WeakPolarHBondContact CB-O 3.46Å; K168-H183 PolarHBondContact O-N 3.15Å; H183-A185 PolarHBondContact CE1-O 3.13Å; H183-A185 PolarHBondContact ND1-N 3.44Å; H183-A185 PolarHBondContact ND1-O 3.23Å; H183-A185 VanDerWaalsContact ND1-O 3.17Å; H183-W192 AromaticContact CE1-CZ2 3.94Å; H183-W192 AromaticContact ND1-CZ2 3.79Å; H183-G198 CarbonylContact C-O 3.55Å; H183-G198 WeakPolarHBondContact CA-O 2.98Å; H183-G198 WeakPolarHBondContact CB-O 3.39Å; H183-I199 HydrophobicContact CB-CB 4.4Å; H183-I199 HydrophobicContact CB-CG1 3.96Å; H183-I199 HydrophobicContact CB-CG2 4.41Å
184	T	98.5	Very high	96.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-115.3	-7.7	-176.1	65.3	0	0	0	0	115.3	K168 Q197 G198 H393 I394 L412 T413	K168-T184 WeakPolarHBondContact CD-O 3.32Å; K168-T184 WeakPolarHBondContact CE-O 3.28Å; T184-Q197 PolarHBondContact O-OE1 3.48Å; T184-Q197 VanDerWaalsContact OG1-CA 3.31Å; T184-Q197 WeakPolarHBondContact OG1-CA 3.1Å; T184-Q197 PolarHBondContact OG1-OE1 2.61Å; T184-G198 PolarHBondContact N-O 3.07Å; T184-G198 PolarHBondContact OG1-N 2.55Å; T184-H393 PolarHBondContact O-CE1 3.42Å; T184-H393 PolarHBondContact O-ND1 3.17Å; T184-I394 HydrophobicContact CG2-CG1 4.14Å; T184-L412 HydrophobicContact CG2-CD1 3.7Å; T184-L412 HydrophobicContact CG2-CG 4.22Å; T184-T413 WeakPolarHBondContact CG2-O 3.48Å
185	A	98.2	Very high	96.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.12	C	C	.	.			trans	-81.1	144.7	-179.7	0	0	0	0	0	114.3	N106 K168 H183 D191 W192 Q197	N106-A185 PolarHBondContact ND2-O 2.77Å; K168-A185 WeakPolarHBondContact CD-O 3.33Å; K168-A185 WeakPolarHBondContact CG-O 3.5Å; H183-A185 PolarHBondContact CE1-O 3.13Å; H183-A185 PolarHBondContact ND1-N 3.44Å; H183-A185 PolarHBondContact ND1-O 3.23Å; H183-A185 VanDerWaalsContact ND1-O 3.17Å; A185-D191 HydrophobicContact CB-CB 4.27Å; A185-W192 HydrophobicContact CB-CD2 3.96Å; A185-W192 HydrophobicContact CB-CG 4.4Å; A185-W192 HydrophobicContact CB-CH2 4.28Å; A185-W192 HydrophobicContact CB-CZ2 3.57Å; A185-Q197 VanDerWaalsContact CA-CD 3.42Å; A185-Q197 HydrophobicContact CB-CB 4.27Å; A185-Q197 VanDerWaalsContact CB-CD 3.43Å; A185-Q197 HydrophobicContact CB-CG 3.7Å; A185-Q197 VanDerWaalsContact N-OE1 3.17Å
186	N	97.5	Very high	96.5	Very high	5 Å²	5	19 Å²	19	3%	0.027	9%	0.094	C	C	.	.			trans	-74.5	157.6	161.5	-56.7	-59.9	0	0	0	111.2	N106 M108 K168 I188 D191 W192 H393	N106-N186 WeakPolarHBondContact OD1-CA 3.25Å; N106-N186 PolarHBondContact OD1-OD1 2.97Å; M108-N186 HydrophobicContact CB-CB 3.93Å; M108-N186 HydrophobicContact CG-CB 4.1Å; M108-N186 HydrophobicContact SD-CB 4.41Å; K168-N186 VanDerWaalsContact CE-OD1 3.26Å; K168-N186 WeakPolarHBondContact CE-OD1 3.31Å; K168-N186 PolarHBondContact NZ-OD1 2.87Å; N186-I188 HydrophobicContact CB-CG1 4.18Å; N186-I188 PolarHBondContact O-N 2.84Å; N186-D191 WeakPolarHBondContact CA-OD2 3.33Å; N186-D191 HydrophobicContact CB-CB 4.43Å; N186-D191 WeakPolarHBondContact CB-OD2 3.38Å; N186-D191 VanDerWaalsContact CG-OD2 3.28Å; N186-D191 PolarHBondContact N-OD2 2.79Å; N186-D191 PolarHBondContact ND2-OD2 2.8Å; N186-W192 PolarHBondContact O-NE1 3.27Å; N186-H393 PolarHBondContact ND2-CE1 3.43Å
187	M	97.6	Very high	96.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.071	C	C	.	.	B	Isolated β-bridge	trans	-85.2	60.4	178.9	-60.3	-46.9	-70.8	0	0	111.9	L88 N106 M108 F109 D110 W113 L114 M170 W192	L88-M187 HydrophobicContact CD1-CE 4.17Å; L88-M187 HydrophobicContact CD2-CE 3.81Å; N106-M187 HydrophobicContact CB-CB 4.5Å; N106-M187 HydrophobicContact CB-CG 3.84Å; N106-M187 WeakPolarHBondContact ND2-CG 3.39Å; N106-M187 PolarHBondContact OD1-N 3.3Å; M108-M187 WeakPolarHBondContact O-CA 3.37Å; M108-M187 WeakPolarHBondContact O-CB 3.23Å; M108-M187 PolarHBondContact O-N 3.23Å; F109-M187 HydrophobicContact CD1-CB 3.81Å; F109-M187 HydrophobicContact CD1-CG 4.09Å; F109-M187 HydrophobicContact CE1-CB 4.14Å; F109-M187 HydrophobicContact CE1-CG 3.89Å; D110-M187 PolarHBondContact N-O 2.64Å; W113-M187 HydrophobicContact CZ3-CB 4.47Å; L114-M187 HydrophobicContact CD1-CE 3.31Å; L114-M187 HydrophobicContact CD2-CB 4.44Å; L114-M187 HydrophobicContact CD2-CE 4.5Å; L114-M187 HydrophobicContact CG-CE 4.47Å; M170-M187 HydrophobicContact CE-CE 4.15Å; M170-M187 HydrophobicContact CE-SD 4.3Å; M187-W192 HydrophobicContact SD-CZ2 4.28Å
188	I	96.1	Very high	96.9	Very high	6 Å²	6	14.7 Å²	14.7	3%	0.031	7%	0.072	C	C	.	.	S	Bend	trans	-136.8	156.1	175.6	62.3	174.1	0	0	0	110.1	K29 L45 M108 D110 N186 D190 D191	K29-I188 HydrophobicContact CB-CD1 4.04Å; K29-I188 HydrophobicContact CG-CD1 4.32Å; L45-I188 HydrophobicContact CD1-CG2 3.98Å; M108-I188 HydrophobicContact CB-CG2 4.06Å; M108-I188 HydrophobicContact SD-CD1 4.09Å; D110-I188 HydrophobicContact CB-CG2 4.07Å; N186-I188 HydrophobicContact CB-CG1 4.18Å; N186-I188 PolarHBondContact O-N 2.84Å; I188-D190 VanDerWaalsContact C-N 3.35Å; I188-D190 HydrophobicContact CD1-CB 4.45Å; I188-D190 PolarHBondContact O-N 3.24Å; I188-D191 HydrophobicContact CG1-CB 4.09Å; I188-D191 PolarHBondContact O-N 3.03Å
189	S	95	Very high	97	Very high	40 Å²	40	14.7 Å²	14.7	28%	0.28	7%	0.072	S	C	.	.	G	3₁₀ helix	trans	-55.3	-46.5	-176.4	-164.3	0	0	0	0	113.4	W113 D191 W192 D193	W113-S189 VanDerWaalsContact CE2-CA 3.43Å; W113-S189 VanDerWaalsContact NE1-CB 3.32Å; W113-S189 PolarHBondContact NE1-OG 2.92Å; S189-D191 PolarHBondContact O-N 3.23Å; S189-D191 VanDerWaalsContact O-N 3.14Å; S189-W192 CarbonylContact O-C 3.57Å; S189-W192 PolarHBondContact O-N 3.14Å; S189-D193 PolarHBondContact O-N 3.32Å
190	D	92.8	Very high	97.1	Very high	40 Å²	40	14.3 Å²	14.3	21%	0.214	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-57.7	-33.7	-174.6	-58.2	-6.1	0	0	0	112.8	I188 R195	I188-D190 VanDerWaalsContact C-N 3.35Å; I188-D190 HydrophobicContact CD1-CB 4.45Å; I188-D190 PolarHBondContact O-N 3.24Å; D190-R195 WeakPolarHBondContact O-CD 3.47Å
191	D	95.8	Very high	97	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-80	-18.6	-179.3	-90.2	20	0	0	0	113.6	A185 N186 I188 S189 R195 Q197 H393	A185-D191 HydrophobicContact CB-CB 4.27Å; N186-D191 WeakPolarHBondContact CA-OD2 3.33Å; N186-D191 HydrophobicContact CB-CB 4.43Å; N186-D191 WeakPolarHBondContact CB-OD2 3.38Å; N186-D191 VanDerWaalsContact CG-OD2 3.28Å; N186-D191 PolarHBondContact N-OD2 2.79Å; N186-D191 PolarHBondContact ND2-OD2 2.8Å; I188-D191 HydrophobicContact CG1-CB 4.09Å; I188-D191 PolarHBondContact O-N 3.03Å; S189-D191 PolarHBondContact O-N 3.23Å; S189-D191 VanDerWaalsContact O-N 3.14Å; D191-R195 IonicContact OD1-CZ 3.05Å; D191-R195 IonicContact OD1-NH1 2.69Å; D191-R195 PolarHBondContact OD1-NH1 2.98Å; D191-Q197 WeakPolarHBondContact O-CG 3.42Å; D191-Q197 PolarHBondContact O-NE2 2.89Å; D191-H393 IonicContact OD2-CE1 2.7Å; D191-H393 PolarHBondContact OD2-CE1 3.33Å; D191-H393 IonicContact OD2-ND1 3.3Å; D191-H393 PolarHBondContact OD2-ND1 2.81Å; D191-H393 IonicContact OD2-NE2 3.36Å
192	W	96.7	Very high	97	Very high	18 Å²	18	15.2 Å²	15.2	7%	0.068	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-115.4	31.9	179.2	-66.5	94.5	0	0	0	111.8	F73 L88 I91 W113 H183 A185 N186 M187 S189 I199	F73-W192 AromaticContact CD2-CE3 3.45Å; F73-W192 HydrophobicContact CD2-CE3 3.45Å; F73-W192 VanDerWaalsContact CD2-CE3 3.45Å; F73-W192 AromaticContact CD2-CZ3 3.83Å; F73-W192 HydrophobicContact CD2-CZ3 3.83Å; F73-W192 WeakPolarHBondContact CE1-O 3.4Å; F73-W192 AromaticContact CE2-CE3 3.75Å; F73-W192 HydrophobicContact CE2-CE3 3.75Å; F73-W192 HydrophobicContact CE2-CZ3 4.45Å; F73-W192 HydrophobicContact CG-CE3 4.07Å; F73-W192 HydrophobicContact CG-CZ3 4.47Å; F73-W192 VanDerWaalsContact CZ-C 3.43Å; F73-W192 HydrophobicContact CZ-CB 4.41Å; F73-W192 WeakPolarHBondContact CZ-O 3.31Å; L88-W192 HydrophobicContact CB-CD2 3.99Å; L88-W192 HydrophobicContact CB-CE3 3.69Å; L88-W192 HydrophobicContact CB-CH2 4.41Å; L88-W192 HydrophobicContact CB-CZ3 3.93Å; L88-W192 HydrophobicContact CD1-CH2 4.12Å; L88-W192 HydrophobicContact CD1-CZ2 4.08Å; L88-W192 HydrophobicContact CD1-CZ3 4.47Å; L88-W192 HydrophobicContact CD2-CD2 4Å; L88-W192 HydrophobicContact CD2-CG 4.14Å; L88-W192 HydrophobicContact CD2-CZ2 4.46Å; L88-W192 HydrophobicContact CG-CD2 4.47Å; I91-W192 HydrophobicContact CD1-CH2 4.32Å; I91-W192 HydrophobicContact CD1-CZ3 4.44Å; W113-W192 HydrophobicContact CH2-CB 3.91Å; W113-W192 AromaticContact CH2-CD1 3.39Å; W113-W192 AromaticContact CH2-CG 3.8Å; W113-W192 HydrophobicContact CH2-CG 3.8Å; W113-W192 HydrophobicContact CZ2-CB 3.93Å; W113-W192 HydrophobicContact CZ2-CG 4.33Å; H183-W192 AromaticContact CE1-CZ2 3.94Å; H183-W192 AromaticContact ND1-CZ2 3.79Å; A185-W192 HydrophobicContact CB-CD2 3.96Å; A185-W192 HydrophobicContact CB-CG 4.4Å; A185-W192 HydrophobicContact CB-CH2 4.28Å; A185-W192 HydrophobicContact CB-CZ2 3.57Å; N186-W192 PolarHBondContact O-NE1 3.27Å; M187-W192 HydrophobicContact SD-CZ2 4.28Å; S189-W192 CarbonylContact O-C 3.57Å; S189-W192 PolarHBondContact O-N 3.14Å; W192-I199 HydrophobicContact CH2-CG1 4.29Å; W192-I199 HydrophobicContact CZ3-CD1 4.44Å; W192-I199 HydrophobicContact CZ3-CG1 4.44Å
193	D	94.2	Very high	96.8	Very high	73 Å²	73	17.3 Å²	17.3	39%	0.39	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-73.4	175.5	-176.6	34	0	0	0	112.5	F73 S189	F73-D193 WeakPolarHBondContact CE1-O 3.44Å; S189-D193 PolarHBondContact O-N 3.32Å
194	R	93.1	Very high	96.6	Very high	96 Å²	96	19.2 Å²	19.2	36%	0.362	10%	0.096	S	C	.	.	S	Bend	trans	-116.1	5.8	-170.1	-71.3	173.1	-168.4	-137.3	-0.4	115.3	L353 E354 A390	R194-L353 HydrophobicContact CB-CB 4.21Å; R194-L353 HydrophobicContact CB-CD1 4.5Å; R194-L353 HydrophobicContact CG-CB 4.39Å; R194-L353 PolarHBondContact NH1-O 3.09Å; R194-E354 HydrophobicContact CB-CG 3.85Å; R194-E354 HydrophobicContact CG-CG 4.49Å; R194-A390 WeakPolarHBondContact O-CA 3.4Å; R194-A390 WeakPolarHBondContact O-CB 3.2Å
195	R	95.9	Very high	96.6	Very high	13 Å²	13	19.2 Å²	19.2	5%	0.049	10%	0.096	C	C	.	.	S	Bend	trans	-102.7	144.6	-173.1	-62.2	177.1	-173.9	162.9	5.9	111.5	D190 D191 Q197 E354 H393	D190-R195 WeakPolarHBondContact O-CD 3.47Å; D191-R195 IonicContact OD1-CZ 3.05Å; D191-R195 IonicContact OD1-NH1 2.69Å; D191-R195 PolarHBondContact OD1-NH1 2.98Å; R195-Q197 PolarHBondContact O-N 3.37Å; R195-E354 VanDerWaalsContact CG-OE2 3.23Å; R195-E354 WeakPolarHBondContact CG-OE2 3.49Å; R195-E354 IonicContact CZ-OE1 2.68Å; R195-E354 IonicContact NE-OE1 3.32Å; R195-E354 PolarHBondContact NE-OE1 3.21Å; R195-E354 IonicContact NE-OE2 3.07Å; R195-E354 PolarHBondContact NE-OE2 2.8Å; R195-E354 IonicContact NH2-OE1 3.07Å; R195-E354 PolarHBondContact NH2-OE1 3.16Å; R195-H393 HydrophobicContact CB-CB 4.12Å
196	T	97.9	Very high	96.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-73.7	119.6	171.8	-58.5	0	0	0	0	109.1	L72 W382 A390 A391 H393 I394	L72-T196 HydrophobicContact CD1-CG2 4.45Å; T196-W382 HydrophobicContact CG2-CH2 4.07Å; T196-W382 HydrophobicContact CG2-CZ2 4.33Å; T196-A390 WeakPolarHBondContact OG1-CB 3.47Å; T196-A390 PolarHBondContact OG1-O 2.81Å; T196-A391 PolarHBondContact N-O 2.9Å; T196-H393 CarbonylContact O-C 3.59Å; T196-H393 WeakPolarHBondContact O-CA 3.18Å; T196-H393 PolarHBondContact O-N 3.16Å; T196-I394 HydrophobicContact CG2-CG2 4Å; T196-I394 PolarHBondContact O-N 2.9Å; T196-I394 VanDerWaalsContact O-N 3.11Å
197	Q	98.1	Very high	96.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.149	C	C	.	.			trans	-124.9	149.8	174.1	-53	-73.4	5.7	0	0	109.4	L72 F73 T184 A185 D191 R195 I199 H393	L72-Q197 CarbonylContact C-O 3.55Å; L72-Q197 VanDerWaalsContact CA-O 3.28Å; L72-Q197 WeakPolarHBondContact CA-O 3.48Å; F73-Q197 HydrophobicContact CB-CB 3.83Å; F73-Q197 HydrophobicContact CB-CG 4.25Å; F73-Q197 PolarHBondContact N-O 3.24Å; T184-Q197 PolarHBondContact O-OE1 3.48Å; T184-Q197 VanDerWaalsContact OG1-CA 3.31Å; T184-Q197 WeakPolarHBondContact OG1-CA 3.1Å; T184-Q197 PolarHBondContact OG1-OE1 2.61Å; A185-Q197 VanDerWaalsContact CA-CD 3.42Å; A185-Q197 HydrophobicContact CB-CB 4.27Å; A185-Q197 VanDerWaalsContact CB-CD 3.43Å; A185-Q197 HydrophobicContact CB-CG 3.7Å; A185-Q197 VanDerWaalsContact N-OE1 3.17Å; D191-Q197 WeakPolarHBondContact O-CG 3.42Å; D191-Q197 PolarHBondContact O-NE2 2.89Å; R195-Q197 PolarHBondContact O-N 3.37Å; Q197-I199 HydrophobicContact CB-CD1 4.47Å; Q197-H393 PolarHBondContact NE2-ND1 3.13Å; Q197-H393 PolarHBondContact OE1-ND1 3.17Å; Q197-H393 VanDerWaalsContact OE1-ND1 3.09Å; Q197-H393 PolarHBondContact OE1-O 3.37Å
198	G	98.4	Very high	96.3	Very high	1 Å²	1	31 Å²	31	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	145.9	169.9	0	0	0	0	0	110.7	H183 T184	H183-G198 CarbonylContact C-O 3.55Å; H183-G198 WeakPolarHBondContact CA-O 2.98Å; H183-G198 WeakPolarHBondContact CB-O 3.39Å; T184-G198 PolarHBondContact N-O 3.07Å; T184-G198 PolarHBondContact OG1-N 2.55Å
199	I	98.7	Very high	96.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	130.4	178.3	-57	91.2	0	0	0	107.8	I70 Y71 F73 I86 I91 I181 H183 W192 Q197 M201	I70-I199 CarbonylContact C-O 3.6Å; I70-I199 WeakPolarHBondContact CA-O 3.44Å; Y71-I199 PolarHBondContact N-O 2.73Å; Y71-I199 PolarHBondContact O-N 3.24Å; F73-I199 HydrophobicContact CB-CD1 3.99Å; I86-I199 HydrophobicContact CG2-CB 4.44Å; I86-I199 HydrophobicContact CG2-CD1 4.22Å; I86-I199 HydrophobicContact CG2-CG1 4.44Å; I91-I199 HydrophobicContact CD1-CG1 4.42Å; I91-I199 HydrophobicContact CD1-CG2 4.03Å; I181-I199 HydrophobicContact CG2-CG2 3.52Å; H183-I199 HydrophobicContact CB-CB 4.4Å; H183-I199 HydrophobicContact CB-CG1 3.96Å; H183-I199 HydrophobicContact CB-CG2 4.41Å; W192-I199 HydrophobicContact CH2-CG1 4.29Å; W192-I199 HydrophobicContact CZ3-CD1 4.44Å; W192-I199 HydrophobicContact CZ3-CG1 4.44Å; Q197-I199 HydrophobicContact CB-CD1 4.47Å; I199-M201 HydrophobicContact CG2-CG 3.9Å
200	W	98.6	Very high	96.1	Very high	6 Å²	6	36.3 Å²	36.3	2%	0.023	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135.9	160.3	170	76	0	0	0	109.3	G69 I180 I181 I182 F225 I263 V265 L412 V441 F443	G69-W200 CarbonylContact O-C 3.57Å; G69-W200 VanDerWaalsContact O-CA 3.29Å; G69-W200 WeakPolarHBondContact O-CA 3.46Å; I180-W200 HydrophobicContact CG2-CZ3 4.26Å; I181-W200 CarbonylContact C-O 3.52Å; I181-W200 VanDerWaalsContact CA-O 3.25Å; I181-W200 WeakPolarHBondContact CA-O 3.43Å; I181-W200 WeakPolarHBondContact CG2-O 3.46Å; I182-W200 HydrophobicContact CB-CE3 4.08Å; I182-W200 HydrophobicContact CD1-CE3 4.07Å; I182-W200 HydrophobicContact CD1-CZ3 3.94Å; I182-W200 HydrophobicContact CG1-CE3 4.14Å; I182-W200 HydrophobicContact CG1-CZ3 4.28Å; I182-W200 PolarHBondContact N-O 2.88Å; I182-W200 PolarHBondContact O-N 2.94Å; W200-F225 HydrophobicContact CH2-CE1 4.36Å; W200-F225 AromaticContact CH2-CE2 3.68Å; W200-F225 HydrophobicContact CH2-CE2 3.68Å; W200-F225 AromaticContact CH2-CZ 3.54Å; W200-F225 HydrophobicContact CH2-CZ 3.54Å; W200-F225 AromaticContact CZ3-CE2 3.99Å; W200-F225 HydrophobicContact CZ3-CE2 3.99Å; W200-F225 AromaticContact CZ3-CZ 3.65Å; W200-F225 HydrophobicContact CZ3-CZ 3.65Å; W200-I263 HydrophobicContact CH2-CG2 4.36Å; W200-I263 HydrophobicContact CZ2-CG2 4.23Å; W200-V265 HydrophobicContact CD2-CG2 4.23Å; W200-V265 HydrophobicContact CH2-CG2 3.76Å; W200-V265 HydrophobicContact CZ2-CG2 3.29Å; W200-V265 HydrophobicContact CZ3-CG2 4.42Å; W200-L412 HydrophobicContact CB-CD2 4.42Å; W200-V441 HydrophobicContact CB-CG2 3.58Å; W200-V441 HydrophobicContact CD2-CB 4.4Å; W200-V441 HydrophobicContact CD2-CG1 3.95Å; W200-V441 HydrophobicContact CD2-CG2 4.05Å; W200-V441 HydrophobicContact CE3-CG1 3.63Å; W200-V441 HydrophobicContact CE3-CG2 4.35Å; W200-V441 HydrophobicContact CG-CG2 3.73Å; W200-V441 HydrophobicContact CZ3-CG1 3.94Å; W200-F443 HydrophobicContact CB-CZ 4.31Å; W200-F443 AromaticContact CD1-CE1 3.91Å; W200-F443 AromaticContact CD1-CZ 3.55Å; W200-F443 HydrophobicContact CG-CZ 4.11Å
201	M	97.9	Very high	96	Very high	16 Å²	16	40.1 Å²	40.1	8%	0.079	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.2	174.9	-58.8	179.7	67.4	0	0	109.4	G69 Y71 I86 I91 K179 I181 I199	G69-M201 PolarHBondContact O-N 2.72Å; Y71-M201 HydrophobicContact CD2-CG 4.34Å; Y71-M201 HydrophobicContact CD2-SD 4.26Å; Y71-M201 HydrophobicContact CE2-CB 4.31Å; Y71-M201 HydrophobicContact CE2-CG 4.17Å; Y71-M201 HydrophobicContact CE2-SD 3.94Å; I86-M201 HydrophobicContact CD1-CE 4.38Å; I86-M201 HydrophobicContact CD1-SD 3.54Å; I86-M201 VanDerWaalsContact CD1-SD 3.54Å; I91-M201 HydrophobicContact CG1-CE 4.36Å; I91-M201 HydrophobicContact CG1-SD 4.1Å; I91-M201 HydrophobicContact CG2-CE 4.29Å; K179-M201 HydrophobicContact CD-CE 4.44Å; I181-M201 HydrophobicContact CG1-CB 4.28Å; I181-M201 HydrophobicContact CG1-CE 4.15Å; I181-M201 HydrophobicContact CG1-CG 3.83Å; I181-M201 HydrophobicContact CG2-CG 4.1Å; I199-M201 HydrophobicContact CG2-CG 3.9Å
202	S	97.5	Very high	95.8	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.021	22%	0.218	C	C	.	.			trans	-65	156.5	168.9	76.3	0	0	0	0	110.7	I180	I180-S202 PolarHBondContact N-OG 3.41Å; I180-S202 PolarHBondContact O-N 3.35Å; I180-S202 PolarHBondContact O-OG 3.36Å
203	P	95.2	Very high	95.5	Very high	44 Å²	44	46 Å²	46	29%	0.286	23%	0.23	S	C	.	.			trans	-53.6	161.4	156.6	-20.9	33	0	0	0	110.4	L205 P262	P203-L205 PolarHBondContact O-N 3.19Å; P203-L205 VanDerWaalsContact O-N 3.1Å; P203-P262 HydrophobicContact CB-CB 4.41Å; P203-P262 HydrophobicContact CG-CB 4.28Å
204	K	95.3	Very high	95.3	Very high	41 Å²	41	50 Å²	50	18%	0.178	24%	0.243	C	C	.	.			trans	-67.7	109.4	171.2	-168.5	-177.7	-179.9	-176.6	0	110.1	E65 D96 D176 K179	E65-K204 PolarHBondContact OE1-N 3.23Å; D96-K204 HydrophobicContact CB-CD 4.23Å; D96-K204 WeakPolarHBondContact O-CE 3.33Å; D96-K204 PolarHBondContact O-NZ 3.1Å; D176-K204 WeakPolarHBondContact OD1-CE 3.43Å; D176-K204 IonicContact OD1-NZ 3.13Å; D176-K204 PolarHBondContact OD1-NZ 2.85Å; D176-K204 IonicContact OD2-NZ 2.67Å; D176-K204 PolarHBondContact OD2-NZ 2.79Å; K179-K204 HydrophobicContact CG-CB 4.34Å
205	L	97.1	Very high	95.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	126.1	178.2	-48.8	-177.1	0	0	0	108.9	G177 L178 I180 P203 Y258 F260 I263	G177-L205 CarbonylContact C-O 3.45Å; G177-L205 WeakPolarHBondContact CA-O 3.29Å; L178-L205 HydrophobicContact CB-CB 4.34Å; L178-L205 HydrophobicContact CD2-CD1 4.36Å; L178-L205 PolarHBondContact N-O 3.07Å; L178-L205 WeakPolarHBondContact O-CB 3.27Å; L178-L205 WeakPolarHBondContact O-CG 3.35Å; L178-L205 PolarHBondContact O-N 3.24Å; I180-L205 HydrophobicContact CD1-CD1 4.06Å; I180-L205 HydrophobicContact CG1-CD1 4.47Å; P203-L205 PolarHBondContact O-N 3.19Å; P203-L205 VanDerWaalsContact O-N 3.1Å; L205-Y258 HydrophobicContact CB-CD1 4.47Å; L205-Y258 WeakPolarHBondContact O-CD1 3.33Å; L205-F260 HydrophobicContact CD1-CD1 4.02Å; L205-F260 HydrophobicContact CD1-CD2 3.99Å; L205-F260 HydrophobicContact CD1-CE1 3.79Å; L205-F260 HydrophobicContact CD1-CE2 3.77Å; L205-F260 HydrophobicContact CD1-CG 4.11Å; L205-F260 HydrophobicContact CD1-CZ 3.65Å; L205-I263 HydrophobicContact CD1-CD1 3.99Å; L205-I263 HydrophobicContact CD2-CD1 3.83Å; L205-I263 HydrophobicContact CD2-CG1 3.97Å
206	K	96.4	Very high	95	Very high	153 Å²	153	50.3 Å²	50.3	67%	0.665	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	154.1	-176.8	-64.6	-177	-180	179.8	0	110.9	Y258 D259	K206-Y258 CarbonylContact O-C 3.53Å; K206-Y258 VanDerWaalsContact O-CA 3.29Å; K206-Y258 WeakPolarHBondContact O-CA 3.19Å; K206-D259 PolarHBondContact O-N 2.77Å
207	L	96.1	Very high	94.8	Very high	90 Å²	90	56.4 Å²	56.4	47%	0.471	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-64.6	137.4	172	-72.4	167.6	0	0	0	110.7	S257 Y258	L207-S257 WeakPolarHBondContact CA-O 3.41Å; L207-Y258 HydrophobicContact CD2-CD1 3.95Å; L207-Y258 HydrophobicContact CD2-CE1 3.43Å; L207-Y258 VanDerWaalsContact CD2-CE1 3.43Å; L207-Y258 HydrophobicContact CD2-CE2 4.41Å; L207-Y258 HydrophobicContact CG-CD1 4.32Å; L207-Y258 HydrophobicContact CG-CE1 3.88Å
208	L	96.3	Very high	94.6	Very high	9 Å²	9	61.7 Å²	61.7	5%	0.047	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-81.6	146.3	172.9	-68.4	174.7	0	0	0	110.7	Q212 Q213 T219 S257 Y258 D259	L208-Q212 HydrophobicContact CB-CB 4Å; L208-Q212 HydrophobicContact CD2-CB 3.9Å; L208-Q212 HydrophobicContact CG-CB 4.39Å; L208-Q213 HydrophobicContact CB-CG 3.65Å; L208-Q213 HydrophobicContact CD1-CG 4.16Å; L208-Q213 PolarHBondContact O-NE2 2.77Å; L208-T219 HydrophobicContact CD1-CG2 3.87Å; L208-T219 HydrophobicContact CD2-CG2 3.65Å; L208-T219 HydrophobicContact CG-CG2 4.42Å; L208-S257 PolarHBondContact N-O 3.07Å; L208-Y258 WeakPolarHBondContact CD1-O 3.4Å; L208-D259 HydrophobicContact CD2-CB 3.53Å; L208-D259 HydrophobicContact CG-CB 4.24Å
209	S	94	Very high	94.5	Very high	54 Å²	54	61.8 Å²	61.8	38%	0.378	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-64.7	161.6	165.4	74	0	0	0	0	111.1	E211 Q212 Q213	S209-E211 PolarHBondContact O-N 3.21Å; S209-Q212 PolarHBondContact O-N 2.9Å; S209-Q212 VanDerWaalsContact O-N 3.09Å; S209-Q212 WeakPolarHBondContact OG-CG 3.25Å; S209-Q212 PolarHBondContact OG-N 3.02Å; S209-Q212 PolarHBondContact OG-OE1 2.94Å; S209-Q213 WeakPolarHBondContact O-CG 3.34Å; S209-Q213 PolarHBondContact O-N 3.34Å; S209-Q213 VanDerWaalsContact O-N 3.1Å
210	V	91.1	Very high	94.5	Very high	104 Å²	104	62.4 Å²	62.4	63%	0.63	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-40.7	177	176.1	0	0	0	0	111	Q213	V210-Q213 PolarHBondContact O-N 3.34Å
211	E	92	Very high	94.4	Very high	121 Å²	121	62.3 Å²	62.3	57%	0.565	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-44.3	175.5	-80.8	53.9	-125.9	0	0	112.5	S209 Q213 K214	S209-E211 PolarHBondContact O-N 3.21Å; E211-Q213 VanDerWaalsContact C-N 3.27Å; E211-Q213 PolarHBondContact O-N 2.82Å; E211-K214 WeakPolarHBondContact O-CB 3Å; E211-K214 PolarHBondContact O-N 2.94Å; E211-K214 IonicContact OE1-NZ 2.74Å; E211-K214 PolarHBondContact OE1-NZ 2.95Å
212	Q	91.7	Very high	94.3	Very high	74 Å²	74	71.7 Å²	71.7	35%	0.346	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-69.7	-25.3	-178.8	-71.1	172.6	-37.4	0	0	112.8	L208 S209 K214 T219	L208-Q212 HydrophobicContact CB-CB 4Å; L208-Q212 HydrophobicContact CD2-CB 3.9Å; L208-Q212 HydrophobicContact CG-CB 4.39Å; S209-Q212 PolarHBondContact O-N 2.9Å; S209-Q212 VanDerWaalsContact O-N 3.09Å; S209-Q212 WeakPolarHBondContact OG-CG 3.25Å; S209-Q212 PolarHBondContact OG-N 3.02Å; S209-Q212 PolarHBondContact OG-OE1 2.94Å; Q212-K214 PolarHBondContact O-N 2.76Å; Q212-T219 HydrophobicContact CB-CG2 4.12Å
213	Q	90	Very high	94.3	Very high	69 Å²	69	72.1 Å²	72.1	32%	0.322	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-72.6	-14.5	176.2	-68	177.3	48.9	0	0	113.2	L208 S209 V210 E211	L208-Q213 HydrophobicContact CB-CG 3.65Å; L208-Q213 HydrophobicContact CD1-CG 4.16Å; L208-Q213 PolarHBondContact O-NE2 2.77Å; S209-Q213 WeakPolarHBondContact O-CG 3.34Å; S209-Q213 PolarHBondContact O-N 3.34Å; S209-Q213 VanDerWaalsContact O-N 3.1Å; V210-Q213 PolarHBondContact O-N 3.34Å; E211-Q213 VanDerWaalsContact C-N 3.27Å; E211-Q213 PolarHBondContact O-N 2.82Å
214	K	90.5	Very high	94.4	Very high	155 Å²	155	74.3 Å²	74.3	67%	0.674	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-67.1	-36.2	-179.3	-66.8	176.7	-177.1	165.7	0	113	E211 Q212	E211-K214 WeakPolarHBondContact O-CB 3Å; E211-K214 PolarHBondContact O-N 2.94Å; E211-K214 IonicContact OE1-NZ 2.74Å; E211-K214 PolarHBondContact OE1-NZ 2.95Å; Q212-K214 PolarHBondContact O-N 2.76Å
215	N	91.4	Very high	94.6	Very high	71 Å²	71	72.4 Å²	72.4	38%	0.38	36%	0.362	S	S	.	.			trans	-122.9	94.7	175.4	-170.8	2.1	0	0	0	109.9	N217 D218	N215-N217 VanDerWaalsContact C-N 3.3Å; N215-N217 PolarHBondContact O-N 3.31Å; N215-N217 PolarHBondContact OD1-N 2.92Å; N215-D218 PolarHBondContact ND2-OD1 2.88Å; N215-D218 PolarHBondContact ND2-OD2 3.35Å; N215-D218 PolarHBondContact O-N 3.04Å
216	L	90.9	Very high	94.6	Very high	45 Å²	45	72.5 Å²	72.5	24%	0.236	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-59.8	-42.3	-180	-65	-179.9	0	0	0	110.4	D218 T219 D220 R226 H256	L216-D218 PolarHBondContact O-N 2.8Å; L216-T219 CarbonylContact O-C 3.51Å; L216-T219 WeakPolarHBondContact O-CA 3.35Å; L216-T219 PolarHBondContact O-N 2.95Å; L216-T219 PolarHBondContact O-OG1 3.45Å; L216-D220 PolarHBondContact O-N 3.39Å; L216-R226 PolarHBondContact O-NH2 2.72Å; L216-H256 HydrophobicContact CD1-CB 4.18Å; L216-H256 VanDerWaalsContact CD1-CD2 3.47Å; L216-H256 WeakPolarHBondContact CD1-CD2 3.34Å; L216-H256 HydrophobicContact CD2-CB 4.17Å; L216-H256 WeakPolarHBondContact CD2-O 3.31Å
217	N	92.8	Very high	94.7	Very high	129 Å²	129	67.1 Å²	67.1	69%	0.69	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-54.1	-33.6	-176.2	-66.3	-13	0	0	0	113.6	N215 T219 D220	N215-N217 VanDerWaalsContact C-N 3.3Å; N215-N217 PolarHBondContact O-N 3.31Å; N215-N217 PolarHBondContact OD1-N 2.92Å; N217-T219 PolarHBondContact O-N 3.45Å; N217-D220 PolarHBondContact O-N 3.22Å
218	D	94.8	Very high	94.8	Very high	110 Å²	110	64.2 Å²	64.2	59%	0.588	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-72	-16.3	178.5	-61.5	-12.3	0	0	0	113.8	N215 L216 R261	N215-D218 PolarHBondContact ND2-OD1 2.88Å; N215-D218 PolarHBondContact ND2-OD2 3.35Å; N215-D218 PolarHBondContact O-N 3.04Å; L216-D218 PolarHBondContact O-N 2.8Å; D218-R261 WeakPolarHBondContact O-CD 3.35Å
219	T	96.9	Very high	94.9	Very high	4 Å²	4	63.8 Å²	63.8	3%	0.025	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-111.8	8.7	-179.5	59.8	0	0	0	0	112.7	L208 Q212 L216 N217 R226 F260 R261	L208-T219 HydrophobicContact CD1-CG2 3.87Å; L208-T219 HydrophobicContact CD2-CG2 3.65Å; L208-T219 HydrophobicContact CG-CG2 4.42Å; Q212-T219 HydrophobicContact CB-CG2 4.12Å; L216-T219 CarbonylContact O-C 3.51Å; L216-T219 WeakPolarHBondContact O-CA 3.35Å; L216-T219 PolarHBondContact O-N 2.95Å; L216-T219 PolarHBondContact O-OG1 3.45Å; N217-T219 PolarHBondContact O-N 3.45Å; T219-R226 PolarHBondContact OG1-NH1 2.92Å; T219-R226 PolarHBondContact OG1-NH2 3.36Å; T219-F260 PolarHBondContact O-N 3.35Å; T219-R261 PolarHBondContact O-N 2.52Å
220	D	97.9	Very high	95.1	Very high	13 Å²	13	61.8 Å²	61.8	7%	0.07	31%	0.314	C	S	.	.	S	Bend	trans	-85.4	164	170.2	-145.1	-27.3	0	0	0	111.1	L216 N217 F225 R226 A227 R261	L216-D220 PolarHBondContact O-N 3.39Å; N217-D220 PolarHBondContact O-N 3.22Å; D220-F225 PolarHBondContact OD1-N 2.86Å; D220-R226 WeakPolarHBondContact OD1-CB 3.29Å; D220-R226 PolarHBondContact OD1-N 3.34Å; D220-R226 WeakPolarHBondContact OD2-CB 3.33Å; D220-R226 IonicContact OD2-NH2 3.76Å; D220-A227 PolarHBondContact OD2-N 2.86Å; D220-R261 VanDerWaalsContact O-CG 3.3Å; D220-R261 WeakPolarHBondContact O-CG 3.29Å
221	S	97.3	Very high	95.4	Very high	4 Å²	4	60.2 Å²	60.2	3%	0.028	30%	0.3	C	S	.	.			trans	-70.4	160.1	169.5	63.2	0	0	0	0	111.4	T223 N224 F225 F260 I263	S221-T223 PolarHBondContact O-N 2.93Å; S221-T223 PolarHBondContact OG-N 3.04Å; S221-T223 PolarHBondContact OG-OG1 2.93Å; S221-N224 PolarHBondContact O-N 3.49Å; S221-N224 PolarHBondContact OG-N 3.13Å; S221-F225 VanDerWaalsContact OG-CB 3.31Å; S221-F225 WeakPolarHBondContact OG-CB 3.42Å; S221-F225 PolarHBondContact OG-N 2.99Å; S221-F260 WeakPolarHBondContact CB-O 3.49Å; S221-I263 WeakPolarHBondContact CB-O 3.3Å
222	K	95.9	Very high	95.7	Very high	212 Å²	212	54.4 Å²	54.4	92%	0.922	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-16.5	167.3	-65.5	-174.4	177.7	-175.7	0	113.1
223	T	96.6	Very high	96	Very high	13 Å²	13	50.9 Å²	50.9	8%	0.08	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	0.8	177.7	61	0	0	0	0	113.6	S221 F225 V265 V266 N447	S221-T223 PolarHBondContact O-N 2.93Å; S221-T223 PolarHBondContact OG-N 3.04Å; S221-T223 PolarHBondContact OG-OG1 2.93Å; T223-F225 PolarHBondContact O-N 2.93Å; T223-V265 VanDerWaalsContact CB-O 3.29Å; T223-V265 WeakPolarHBondContact CB-O 3.49Å; T223-V265 PolarHBondContact OG1-O 2.62Å; T223-V266 HydrophobicContact CG2-CG2 3.75Å; T223-N447 WeakPolarHBondContact CG2-ND2 3.38Å
224	N	97.3	Very high	96.3	Very high	90 Å²	90	52.9 Å²	52.9	48%	0.481	26%	0.264	S	S	.	.			trans	55.6	34.9	-174.5	-57	-48.1	0	0	0	113	S221 R226 A227 D228	S221-N224 PolarHBondContact O-N 3.49Å; S221-N224 PolarHBondContact OG-N 3.13Å; N224-R226 VanDerWaalsContact C-N 3.34Å; N224-R226 PolarHBondContact O-N 3.29Å; N224-A227 HydrophobicContact CB-CB 4.31Å; N224-A227 PolarHBondContact O-N 2.98Å; N224-D228 PolarHBondContact O-N 2.65Å
225	F	98.6	Very high	96.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.6	-41.7	-170.7	-173.5	-79.3	0	0	0	111.9	I180 I182 W200 D220 S221 T223 L229 F260 I263 V265 L267 V441	I180-F225 HydrophobicContact CD1-CE1 4Å; I182-F225 HydrophobicContact CD1-CZ 4.25Å; W200-F225 HydrophobicContact CH2-CE1 4.36Å; W200-F225 AromaticContact CH2-CE2 3.68Å; W200-F225 HydrophobicContact CH2-CE2 3.68Å; W200-F225 AromaticContact CH2-CZ 3.54Å; W200-F225 HydrophobicContact CH2-CZ 3.54Å; W200-F225 AromaticContact CZ3-CE2 3.99Å; W200-F225 HydrophobicContact CZ3-CE2 3.99Å; W200-F225 AromaticContact CZ3-CZ 3.65Å; W200-F225 HydrophobicContact CZ3-CZ 3.65Å; D220-F225 PolarHBondContact OD1-N 2.86Å; S221-F225 VanDerWaalsContact OG-CB 3.31Å; S221-F225 WeakPolarHBondContact OG-CB 3.42Å; S221-F225 PolarHBondContact OG-N 2.99Å; T223-F225 PolarHBondContact O-N 2.93Å; F225-L229 HydrophobicContact CE1-CB 4.49Å; F225-L229 HydrophobicContact CE1-CD2 4.15Å; F225-L229 VanDerWaalsContact O-CB 3.29Å; F225-L229 WeakPolarHBondContact O-CB 3.26Å; F225-L229 PolarHBondContact O-N 3.41Å; F225-F260 AromaticContact CD1-CD1 3.83Å; F225-F260 HydrophobicContact CD1-CD1 3.83Å; F225-F260 AromaticContact CD1-CE1 3.89Å; F225-F260 HydrophobicContact CD1-CE1 3.89Å; F225-F260 HydrophobicContact CE1-CE1 4.26Å; F225-I263 HydrophobicContact CB-CB 4.41Å; F225-I263 HydrophobicContact CB-CG2 3.81Å; F225-I263 HydrophobicContact CD1-CD1 3.76Å; F225-I263 HydrophobicContact CD1-CG2 4.31Å; F225-I263 HydrophobicContact CD2-CG2 3.55Å; F225-I263 HydrophobicContact CE1-CD1 4.08Å; F225-I263 HydrophobicContact CE2-CG2 4.16Å; F225-I263 HydrophobicContact CG-CB 4.47Å; F225-I263 HydrophobicContact CG-CD1 4.16Å; F225-I263 HydrophobicContact CG-CG2 3.63Å; F225-V265 HydrophobicContact CD2-CG2 4.02Å; F225-V265 HydrophobicContact CE2-CG2 3.78Å; F225-L267 HydrophobicContact CD2-CB 4Å; F225-L267 HydrophobicContact CD2-CD1 4.47Å; F225-L267 HydrophobicContact CE2-CB 4.06Å; F225-L267 HydrophobicContact CE2-CD1 3.71Å; F225-L267 HydrophobicContact CE2-CG 4.44Å; F225-L267 HydrophobicContact CZ-CD1 3.81Å; F225-V441 HydrophobicContact CE2-CG1 4.17Å
226	R	98.5	Very high	96.7	Very high	3 Å²	3	42.8 Å²	42.8	1%	0.011	22%	0.218	C	C	.	.	H	α-helix	trans	-67.2	-45.6	179.2	-171.3	-178.3	51.4	-147.1	-24.8	110.5	L216 T219 D220 N224 D228 L229 L230 L255 Y258 F260	L216-R226 PolarHBondContact O-NH2 2.72Å; T219-R226 PolarHBondContact OG1-NH1 2.92Å; T219-R226 PolarHBondContact OG1-NH2 3.36Å; D220-R226 WeakPolarHBondContact OD1-CB 3.29Å; D220-R226 PolarHBondContact OD1-N 3.34Å; D220-R226 WeakPolarHBondContact OD2-CB 3.33Å; D220-R226 IonicContact OD2-NH2 3.76Å; N224-R226 VanDerWaalsContact C-N 3.34Å; N224-R226 PolarHBondContact O-N 3.29Å; R226-D228 PolarHBondContact O-N 3.17Å; R226-L229 PolarHBondContact O-N 2.56Å; R226-L230 HydrophobicContact CG-CD1 3.87Å; R226-L230 HydrophobicContact CG-CG 4.27Å; R226-L230 WeakPolarHBondContact O-CB 3.49Å; R226-L230 VanDerWaalsContact O-CG 3.29Å; R226-L230 WeakPolarHBondContact O-CG 3.36Å; R226-L230 PolarHBondContact O-N 3.09Å; R226-L255 WeakPolarHBondContact CD-O 3.29Å; R226-Y258 PolarHBondContact NH1-O 2.89Å; R226-F260 HydrophobicContact CB-CB 4.05Å; R226-F260 HydrophobicContact CB-CD1 3.53Å; R226-F260 HydrophobicContact CB-CD2 3.96Å; R226-F260 HydrophobicContact CB-CE1 3.89Å; R226-F260 HydrophobicContact CB-CE2 4.27Å; R226-F260 HydrophobicContact CB-CG 3.59Å; R226-F260 HydrophobicContact CB-CZ 4.25Å; R226-F260 HydrophobicContact CG-CD1 4.14Å; R226-F260 HydrophobicContact CG-CD2 3.93Å; R226-F260 HydrophobicContact CG-CE1 4.08Å; R226-F260 HydrophobicContact CG-CE2 3.85Å; R226-F260 HydrophobicContact CG-CG 4.09Å; R226-F260 HydrophobicContact CG-CZ 3.94Å
227	A	98	Very high	96.6	Very high	40 Å²	40	41.5 Å²	41.5	33%	0.331	22%	0.215	S	C	.	.	H	α-helix	trans	-56.5	-49.2	177.2	0	0	0	0	0	111.8	D220 N224 L229 L230 E231	D220-A227 PolarHBondContact OD2-N 2.86Å; N224-A227 HydrophobicContact CB-CB 4.31Å; N224-A227 PolarHBondContact O-N 2.98Å; A227-L229 PolarHBondContact O-N 3.35Å; A227-L230 PolarHBondContact O-N 3Å; A227-E231 PolarHBondContact O-N 3.11Å
228	D	98.3	Very high	96.4	Very high	28 Å²	28	44.1 Å²	44.1	15%	0.15	22%	0.216	C	C	.	.	H	α-helix	trans	-62.9	-40.9	178.6	-75.1	-0.7	0	0	0	111.4	N224 R226 E231 Y232 L267 R287	N224-D228 PolarHBondContact O-N 2.65Å; R226-D228 PolarHBondContact O-N 3.17Å; D228-E231 PolarHBondContact O-N 3.09Å; D228-Y232 WeakPolarHBondContact O-CB 3.36Å; D228-Y232 PolarHBondContact O-N 3.34Å; D228-L267 HydrophobicContact CB-CB 4.03Å; D228-L267 HydrophobicContact CB-CD2 3.94Å; D228-R287 IonicContact OD1-NH2 3.73Å; D228-R287 IonicContact OD2-CZ 3.48Å; D228-R287 IonicContact OD2-NE 3.4Å; D228-R287 IonicContact OD2-NH2 3.33Å; D228-R287 PolarHBondContact OD2-NH2 3.4Å
229	L	98.7	Very high	96.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.4	-43.5	177	179.9	60.6	0	0	0	111.8	M169 M171 I180 F225 R226 A227 Y232 L233 L255 F260 L267	M169-L229 HydrophobicContact CE-CD1 4.22Å; M169-L229 HydrophobicContact SD-CD1 3.96Å; M171-L229 HydrophobicContact SD-CD2 4.38Å; I180-L229 HydrophobicContact CD1-CD2 3.76Å; F225-L229 HydrophobicContact CE1-CB 4.49Å; F225-L229 HydrophobicContact CE1-CD2 4.15Å; F225-L229 VanDerWaalsContact O-CB 3.29Å; F225-L229 WeakPolarHBondContact O-CB 3.26Å; F225-L229 PolarHBondContact O-N 3.41Å; R226-L229 PolarHBondContact O-N 2.56Å; A227-L229 PolarHBondContact O-N 3.35Å; L229-Y232 HydrophobicContact CD1-CD1 4.38Å; L229-Y232 WeakPolarHBondContact O-CB 3.49Å; L229-Y232 PolarHBondContact O-N 3.27Å; L229-L233 HydrophobicContact CD1-CD1 4.23Å; L229-L233 HydrophobicContact CD1-CG 4.15Å; L229-L233 HydrophobicContact CG-CD1 4.12Å; L229-L233 HydrophobicContact CG-CG 4.41Å; L229-L233 VanDerWaalsContact O-CG 3.3Å; L229-L233 WeakPolarHBondContact O-CG 3.35Å; L229-L233 PolarHBondContact O-N 2.83Å; L229-L255 HydrophobicContact CD2-CD1 4Å; L229-L255 HydrophobicContact CD2-CD2 4.25Å; L229-L255 HydrophobicContact CG-CD1 4.27Å; L229-F260 HydrophobicContact CD2-CE1 4.5Å; L229-L267 VanDerWaalsContact CA-CD2 3.48Å; L229-L267 HydrophobicContact CB-CD2 3.86Å; L229-L267 HydrophobicContact CD1-CD2 4.28Å
230	L	98	Very high	95.9	Very high	13 Å²	13	47 Å²	47	7%	0.068	23%	0.231	C	C	.	.	H	α-helix	trans	-64.5	-41.8	177.2	-73.6	169.8	0	0	0	111.4	R226 A227 Y232 L233 K234 I252 L255	R226-L230 HydrophobicContact CG-CD1 3.87Å; R226-L230 HydrophobicContact CG-CG 4.27Å; R226-L230 WeakPolarHBondContact O-CB 3.49Å; R226-L230 VanDerWaalsContact O-CG 3.29Å; R226-L230 WeakPolarHBondContact O-CG 3.36Å; R226-L230 PolarHBondContact O-N 3.09Å; A227-L230 PolarHBondContact O-N 3Å; L230-Y232 VanDerWaalsContact C-N 3.33Å; L230-L233 PolarHBondContact O-N 2.75Å; L230-K234 VanDerWaalsContact O-CB 3.3Å; L230-K234 WeakPolarHBondContact O-CB 3.35Å; L230-K234 WeakPolarHBondContact O-CD 3.46Å; L230-K234 WeakPolarHBondContact O-CG 3.45Å; L230-K234 PolarHBondContact O-N 3.01Å; L230-I252 HydrophobicContact CD2-CG2 3.97Å; L230-L255 HydrophobicContact CD2-CB 4.12Å; L230-L255 HydrophobicContact CD2-CD1 3.88Å
231	E	97.4	Very high	95.6	Very high	70 Å²	70	47 Å²	47	33%	0.327	23%	0.231	S	C	.	.	H	α-helix	trans	-62	-43.2	175.8	-170.6	171.5	-147.7	0	0	111	A227 D228 S235 K282 F283	A227-E231 PolarHBondContact O-N 3.11Å; D228-E231 PolarHBondContact O-N 3.09Å; E231-S235 PolarHBondContact O-N 3.26Å; E231-K282 WeakPolarHBondContact OE1-CD 3.32Å; E231-K282 IonicContact OE1-NZ 3.68Å; E231-K282 PolarHBondContact OE1-NZ 3.33Å; E231-F283 HydrophobicContact CG-CZ 4.16Å
232	Y	98.2	Very high	95.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.2	-50.7	173.2	171.6	-98	0	0	0	112.5	T167 D228 L229 L230 K234 S235 Y236 A269 V271 Y437 L439	T167-Y232 VanDerWaalsContact CB-OH 3.23Å; T167-Y232 WeakPolarHBondContact CB-OH 3.18Å; T167-Y232 HydrophobicContact CG2-CE1 4.44Å; T167-Y232 WeakPolarHBondContact CG2-OH 3.3Å; T167-Y232 PolarHBondContact OG1-OH 2.74Å; D228-Y232 WeakPolarHBondContact O-CB 3.36Å; D228-Y232 PolarHBondContact O-N 3.34Å; L229-Y232 HydrophobicContact CD1-CD1 4.38Å; L229-Y232 WeakPolarHBondContact O-CB 3.49Å; L229-Y232 PolarHBondContact O-N 3.27Å; L230-Y232 VanDerWaalsContact C-N 3.33Å; Y232-K234 VanDerWaalsContact C-N 3.35Å; Y232-K234 PolarHBondContact O-N 3.43Å; Y232-S235 VanDerWaalsContact O-CB 3.31Å; Y232-S235 WeakPolarHBondContact O-CB 3.37Å; Y232-S235 PolarHBondContact O-N 3.09Å; Y232-S235 VanDerWaalsContact O-N 3.09Å; Y232-S235 PolarHBondContact O-OG 3.38Å; Y232-Y236 HydrophobicContact CD1-CE2 4.26Å; Y232-Y236 AromaticContact CE1-CE2 3.65Å; Y232-Y236 HydrophobicContact CE1-CE2 3.65Å; Y232-Y236 WeakPolarHBondContact CE1-OH 3.47Å; Y232-Y236 HydrophobicContact CE2-CE2 4.36Å; Y232-Y236 AromaticContact CZ-CE2 3.71Å; Y232-Y236 AromaticContact CZ-CZ 3.99Å; Y232-Y236 PolarHBondContact OH-OH 3.44Å; Y232-A269 HydrophobicContact CD2-CB 3.57Å; Y232-A269 HydrophobicContact CE2-CB 4.21Å; Y232-A269 HydrophobicContact CG-CB 4.16Å; Y232-V271 HydrophobicContact CD2-CG2 3.74Å; Y232-V271 HydrophobicContact CE2-CG2 4.24Å; Y232-Y437 HydrophobicContact CE2-CD1 4.02Å; Y232-L439 HydrophobicContact CD1-CD1 4.08Å; Y232-L439 HydrophobicContact CD2-CD1 4.14Å; Y232-L439 HydrophobicContact CE1-CD1 4.18Å; Y232-L439 HydrophobicContact CE1-CD2 4.35Å; Y232-L439 HydrophobicContact CE2-CD1 4.18Å; Y232-L439 HydrophobicContact CG-CD1 4.06Å
233	L	97.8	Very high	95.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.5	-36.7	-178.7	-67	176.6	0	0	0	112.5	F105 M169 M171 L229 L230 S235 Y236 T241 L248 I252 L255	F105-L233 HydrophobicContact CE1-CD2 3.61Å; F105-L233 HydrophobicContact CZ-CD2 3.56Å; M169-L233 HydrophobicContact CE-CD2 4.2Å; M171-L233 HydrophobicContact CE-CD1 4.38Å; L229-L233 HydrophobicContact CD1-CD1 4.23Å; L229-L233 HydrophobicContact CD1-CG 4.15Å; L229-L233 HydrophobicContact CG-CD1 4.12Å; L229-L233 HydrophobicContact CG-CG 4.41Å; L229-L233 VanDerWaalsContact O-CG 3.3Å; L229-L233 WeakPolarHBondContact O-CG 3.35Å; L229-L233 PolarHBondContact O-N 2.83Å; L230-L233 PolarHBondContact O-N 2.75Å; L233-S235 PolarHBondContact O-N 3.4Å; L233-S235 VanDerWaalsContact O-N 3.17Å; L233-Y236 WeakPolarHBondContact O-CD2 3.3Å; L233-Y236 PolarHBondContact O-N 3.23Å; L233-T241 WeakPolarHBondContact O-CG2 3.41Å; L233-L248 HydrophobicContact CD2-CD1 4.2Å; L233-I252 HydrophobicContact CB-CD1 4.1Å; L233-I252 HydrophobicContact CB-CG1 3.94Å; L233-I252 HydrophobicContact CD1-CG1 4.25Å; L233-L255 HydrophobicContact CD1-CD1 3.52Å
234	K	96	Very high	94.8	Very high	110 Å²	110	49.5 Å²	49.5	48%	0.478	26%	0.257	S	S	.	.	H	α-helix	trans	-64.5	-16.8	175.4	-74.4	169.9	-175.8	173.8	0	113.1	L230 Y232 Y236 I252	L230-K234 VanDerWaalsContact O-CB 3.3Å; L230-K234 WeakPolarHBondContact O-CB 3.35Å; L230-K234 WeakPolarHBondContact O-CD 3.46Å; L230-K234 WeakPolarHBondContact O-CG 3.45Å; L230-K234 PolarHBondContact O-N 3.01Å; Y232-K234 VanDerWaalsContact C-N 3.35Å; Y232-K234 PolarHBondContact O-N 3.43Å; K234-Y236 PolarHBondContact O-N 3.2Å; K234-I252 HydrophobicContact CG-CD1 4.32Å
235	S	95.6	Very high	94.5	Very high	13 Å²	13	49.5 Å²	49.5	9%	0.091	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-8	178.7	77	0	0	0	0	114.5	R159 E231 Y232 L233 G237 V271 Y437	R159-S235 PolarHBondContact NH2-O 2.85Å; E231-S235 PolarHBondContact O-N 3.26Å; Y232-S235 VanDerWaalsContact O-CB 3.31Å; Y232-S235 WeakPolarHBondContact O-CB 3.37Å; Y232-S235 PolarHBondContact O-N 3.09Å; Y232-S235 VanDerWaalsContact O-N 3.09Å; Y232-S235 PolarHBondContact O-OG 3.38Å; L233-S235 PolarHBondContact O-N 3.4Å; L233-S235 VanDerWaalsContact O-N 3.17Å; S235-G237 PolarHBondContact O-N 3Å; S235-G237 VanDerWaalsContact O-N 3.09Å; S235-V271 WeakPolarHBondContact OG-CG1 3.38Å; S235-V271 WeakPolarHBondContact OG-CG2 3.34Å; S235-Y437 PolarHBondContact O-OH 2.96Å; S235-Y437 WeakPolarHBondContact OG-CE1 3.41Å
236	Y	94.6	Very high	94.3	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.008	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-0.6	-176.7	-80.6	-118.9	0	0	0	114.7	F105 V130 A156 H165 Y232 L233 K234 L248 Y437	F105-Y236 HydrophobicContact CD1-CE1 4.26Å; F105-Y236 WeakPolarHBondContact CD1-OH 3.4Å; F105-Y236 HydrophobicContact CE1-CE1 4.24Å; V130-Y236 HydrophobicContact CG1-CD1 4.02Å; V130-Y236 HydrophobicContact CG1-CE1 3.48Å; V130-Y236 VanDerWaalsContact CG1-CE1 3.48Å; A156-Y236 HydrophobicContact CB-CD1 3.54Å; A156-Y236 HydrophobicContact CB-CE1 3.59Å; H165-Y236 AromaticContact CD2-CE1 3.68Å; H165-Y236 AromaticContact CD2-CZ 3.85Å; H165-Y236 PolarHBondContact CD2-OH 2.76Å; H165-Y236 AromaticContact NE2-CE1 3.44Å; H165-Y236 WeakPolarHBondContact NE2-CE1 3.5Å; H165-Y236 AromaticContact NE2-CZ 3.47Å; H165-Y236 PolarHBondContact NE2-OH 2.79Å; Y232-Y236 HydrophobicContact CD1-CE2 4.26Å; Y232-Y236 AromaticContact CE1-CE2 3.65Å; Y232-Y236 HydrophobicContact CE1-CE2 3.65Å; Y232-Y236 WeakPolarHBondContact CE1-OH 3.47Å; Y232-Y236 HydrophobicContact CE2-CE2 4.36Å; Y232-Y236 AromaticContact CZ-CE2 3.71Å; Y232-Y236 AromaticContact CZ-CZ 3.99Å; Y232-Y236 PolarHBondContact OH-OH 3.44Å; L233-Y236 WeakPolarHBondContact O-CD2 3.3Å; L233-Y236 PolarHBondContact O-N 3.23Å; K234-Y236 PolarHBondContact O-N 3.2Å; Y236-L248 HydrophobicContact CD1-CD2 4.17Å; Y236-L248 HydrophobicContact CG-CD2 3.95Å; Y236-Y437 HydrophobicContact CD2-CE1 4.39Å; Y236-Y437 HydrophobicContact CE2-CD1 4.22Å; Y236-Y437 HydrophobicContact CE2-CE1 4.34Å
237	G	89.9	Confident	94.2	Very high	17 Å²	17	50.2 Å²	50.2	18%	0.175	27%	0.27	C	S	.	.			trans	109.3	150.1	-178.9	0	0	0	0	0	111.9	S235 D239 L240 T241	S235-G237 PolarHBondContact O-N 3Å; S235-G237 VanDerWaalsContact O-N 3.09Å; G237-D239 VanDerWaalsContact C-N 3.33Å; G237-D239 PolarHBondContact O-N 2.72Å; G237-L240 PolarHBondContact O-N 2.96Å; G237-T241 WeakPolarHBondContact O-CB 3.17Å; G237-T241 WeakPolarHBondContact O-CG2 3.37Å; G237-T241 PolarHBondContact O-N 3Å; G237-T241 PolarHBondContact O-OG1 3.05Å
238	R	88.8	Confident	94.2	Very high	184 Å²	184	48.3 Å²	48.3	69%	0.694	25%	0.254	S	S	*	.	H	α-helix	trans	-64.3	-38.9	-174.6	-67.8	-172.1	-180	-178.4	0.1	112	L240 T241 Q242	R238-L240 PolarHBondContact O-N 3.29Å; R238-T241 PolarHBondContact O-N 3.01Å; R238-Q242 WeakPolarHBondContact O-CB 3.07Å; R238-Q242 PolarHBondContact O-N 3.13Å
239	D	89.3	Confident	94.1	Very high	142 Å²	142	49.4 Å²	49.4	76%	0.759	26%	0.258	S	S	*	.	H	α-helix	trans	-60.2	-36.1	-177.8	-59.3	-14.6	0	0	0	112.1	G237 S243	G237-D239 VanDerWaalsContact C-N 3.33Å; G237-D239 PolarHBondContact O-N 2.72Å; D239-S243 WeakPolarHBondContact O-CB 3.33Å
240	L	92.3	Very high	94	Very high	32 Å²	32	53.3 Å²	53.3	17%	0.168	28%	0.276	C	S	.	.	H	α-helix	trans	-82.5	-23.8	176.6	-64.3	-176.1	0	0	0	113.8	C154 Q155 G237 R238 S246 L248 F249	C154-L240 HydrophobicContact CB-CD1 4.26Å; C154-L240 HydrophobicContact CB-CD2 4.29Å; Q155-L240 VanDerWaalsContact O-CD1 3.3Å; Q155-L240 WeakPolarHBondContact O-CD1 3.37Å; G237-L240 PolarHBondContact O-N 2.96Å; R238-L240 PolarHBondContact O-N 3.29Å; L240-S246 WeakPolarHBondContact CA-OG 3.32Å; L240-S246 WeakPolarHBondContact O-CB 3.46Å; L240-S246 PolarHBondContact O-OG 3.14Å; L240-L248 HydrophobicContact CB-CD2 3.96Å; L240-L248 HydrophobicContact CD1-CD2 4.42Å; L240-F249 PolarHBondContact O-N 3.38Å
241	T	91.5	Very high	94	Very high	14 Å²	14	53.1 Å²	53.1	9%	0.086	27%	0.274	C	S	.	.	H	α-helix	trans	-113.3	-5.6	-165.7	61.4	0	0	0	0	113.6	L233 G237 R238 L248 F249 I252	L233-T241 WeakPolarHBondContact O-CG2 3.41Å; G237-T241 WeakPolarHBondContact O-CB 3.17Å; G237-T241 WeakPolarHBondContact O-CG2 3.37Å; G237-T241 PolarHBondContact O-N 3Å; G237-T241 PolarHBondContact O-OG1 3.05Å; R238-T241 PolarHBondContact O-N 3.01Å; T241-L248 HydrophobicContact CG2-CD2 3.99Å; T241-F249 WeakPolarHBondContact O-CD2 3.43Å; T241-I252 HydrophobicContact CG2-CD1 3.81Å
242	Q	90	Very high	94	Very high	125 Å²	125	50 Å²	50	58%	0.584	26%	0.26	S	S	*	.	H	α-helix	trans	-127.1	-15.9	178.1	-59.2	-177	3.8	0	0	112.8	R238	R238-Q242 WeakPolarHBondContact O-CB 3.07Å; R238-Q242 PolarHBondContact O-N 3.13Å
243	S	92	Very high	93.9	Very high	43 Å²	43	53.1 Å²	53.1	30%	0.301	28%	0.276	S	S	.	.			trans	-77.9	125.4	175.4	-175.8	0	0	0	0	111.2	D239 S245 S246 F249	D239-S243 WeakPolarHBondContact O-CB 3.33Å; S243-S245 PolarHBondContact O-N 3.47Å; S243-S245 PolarHBondContact OG-N 3.2Å; S243-S245 PolarHBondContact OG-OG 3.08Å; S243-S246 WeakPolarHBondContact O-CB 3.23Å; S243-S246 PolarHBondContact O-N 3.49Å; S243-F249 WeakPolarHBondContact O-CB 3.31Å; S243-F249 WeakPolarHBondContact O-CG 3.42Å
244	T	90.2	Very high	93.7	Very high	113 Å²	113	54 Å²	54	69%	0.693	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.1	175.3	54.3	0	0	0	0	113.5	F249	T244-F249 HydrophobicContact CG2-CD1 4.48Å; T244-F249 HydrophobicContact CG2-CE1 3.78Å; T244-F249 HydrophobicContact CG2-CZ 4.15Å
245	S	91.2	Very high	93.8	Very high	91 Å²	91	48.7 Å²	48.7	64%	0.636	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-12.1	174.3	64	0	0	0	0	113.7	S243	S243-S245 PolarHBondContact O-N 3.47Å; S243-S245 PolarHBondContact OG-N 3.2Å; S243-S245 PolarHBondContact OG-OG 3.08Å
246	S	95.2	Very high	93.8	Very high	7 Å²	7	50.4 Å²	50.4	5%	0.049	27%	0.266	C	S	.	.			trans	-79.1	129.2	-178.7	175.3	0	0	0	0	110.9	L240 S243 L248 F249 E250	L240-S246 WeakPolarHBondContact CA-OG 3.32Å; L240-S246 WeakPolarHBondContact O-CB 3.46Å; L240-S246 PolarHBondContact O-OG 3.14Å; S243-S246 WeakPolarHBondContact O-CB 3.23Å; S243-S246 PolarHBondContact O-N 3.49Å; S246-L248 PolarHBondContact O-N 2.75Å; S246-L248 PolarHBondContact OG-N 3.24Å; S246-F249 WeakPolarHBondContact O-CB 3.22Å; S246-F249 PolarHBondContact O-N 3.02Å; S246-F249 VanDerWaalsContact O-N 3.14Å; S246-E250 PolarHBondContact O-N 2.67Å
247	P	95.8	Very high	93.9	Very high	11 Å²	11	52 Å²	52	7%	0.071	28%	0.277	C	S	.	.	H	α-helix	trans	-60.8	-32.7	172.5	4.8	-4.8	0	0	0	112	T128 R152 C154 F249 E250 W251	T128-P247 HydrophobicContact CG2-CB 3.72Å; T128-P247 HydrophobicContact CG2-CG 4.05Å; R152-P247 HydrophobicContact CB-CG 3.91Å; C154-P247 VanDerWaalsContact SG-CG 3.55Å; P247-F249 VanDerWaalsContact C-N 3.31Å; P247-F249 PolarHBondContact O-N 2.95Å; P247-E250 WeakPolarHBondContact O-CB 3.33Å; P247-E250 PolarHBondContact O-N 3.48Å; P247-W251 PolarHBondContact O-N 2.85Å; P247-W251 VanDerWaalsContact O-N 3.07Å
248	L	96.8	Very high	94.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.4	-35.7	178.5	-176.8	62.5	0	0	0	111.9	I103 F105 L233 Y236 L240 T241 S246 W251 I252	I103-L248 HydrophobicContact CD1-CD1 4.35Å; F105-L248 HydrophobicContact CE1-CD1 4.28Å; F105-L248 HydrophobicContact CZ-CD1 4.07Å; L233-L248 HydrophobicContact CD2-CD1 4.2Å; Y236-L248 HydrophobicContact CD1-CD2 4.17Å; Y236-L248 HydrophobicContact CG-CD2 3.95Å; L240-L248 HydrophobicContact CB-CD2 3.96Å; L240-L248 HydrophobicContact CD1-CD2 4.42Å; T241-L248 HydrophobicContact CG2-CD2 3.99Å; S246-L248 PolarHBondContact O-N 2.75Å; S246-L248 PolarHBondContact OG-N 3.24Å; L248-W251 PolarHBondContact O-N 2.93Å; L248-I252 HydrophobicContact CG-CD1 4.14Å; L248-I252 WeakPolarHBondContact O-CG1 3.41Å; L248-I252 PolarHBondContact O-N 3.16Å
249	F	96.7	Very high	94.7	Very high	50 Å²	50	43.8 Å²	43.8	22%	0.219	24%	0.243	C	C	.	.	H	α-helix	trans	-62.2	-43.3	173.3	174.6	-98.1	0	0	0	111.5	L240 T241 S243 T244 S246 P247 W251 I252 N253	L240-F249 PolarHBondContact O-N 3.38Å; T241-F249 WeakPolarHBondContact O-CD2 3.43Å; S243-F249 WeakPolarHBondContact O-CB 3.31Å; S243-F249 WeakPolarHBondContact O-CG 3.42Å; T244-F249 HydrophobicContact CG2-CD1 4.48Å; T244-F249 HydrophobicContact CG2-CE1 3.78Å; T244-F249 HydrophobicContact CG2-CZ 4.15Å; S246-F249 WeakPolarHBondContact O-CB 3.22Å; S246-F249 PolarHBondContact O-N 3.02Å; S246-F249 VanDerWaalsContact O-N 3.14Å; P247-F249 VanDerWaalsContact C-N 3.31Å; P247-F249 PolarHBondContact O-N 2.95Å; F249-W251 VanDerWaalsContact C-N 3.32Å; F249-W251 PolarHBondContact O-N 2.84Å; F249-I252 PolarHBondContact O-N 2.74Å; F249-N253 VanDerWaalsContact CD1-ND2 3.32Å; F249-N253 WeakPolarHBondContact CD1-ND2 3.32Å; F249-N253 WeakPolarHBondContact CE1-ND2 3.31Å; F249-N253 WeakPolarHBondContact CE2-ND2 3.46Å; F249-N253 WeakPolarHBondContact CZ-ND2 3.32Å; F249-N253 PolarHBondContact O-N 3.06Å; F249-N253 PolarHBondContact O-ND2 2.92Å
250	E	96.4	Very high	95.2	Very high	82 Å²	82	37 Å²	37	38%	0.383	21%	0.207	S	C	.	.	H	α-helix	trans	-58.4	-44.3	175.1	-62.3	169.2	-152.5	0	0	111.5	R152 S246 P247 N253 C254	R152-E250 IonicContact CZ-OE1 3.65Å; R152-E250 IonicContact CZ-OE2 2.84Å; R152-E250 IonicContact NH1-OE1 3.22Å; R152-E250 PolarHBondContact NH1-OE1 3.09Å; R152-E250 IonicContact NH1-OE2 2.71Å; R152-E250 VanDerWaalsContact NH2-CD 3.33Å; R152-E250 IonicContact NH2-OE1 3.22Å; R152-E250 PolarHBondContact NH2-OE1 3.46Å; R152-E250 IonicContact NH2-OE2 3.5Å; R152-E250 PolarHBondContact NH2-OE2 3.43Å; S246-E250 PolarHBondContact O-N 2.67Å; P247-E250 WeakPolarHBondContact O-CB 3.33Å; P247-E250 PolarHBondContact O-N 3.48Å; E250-N253 PolarHBondContact O-N 3.46Å; E250-C254 VanDerWaalsContact O-CB 3.28Å; E250-C254 WeakPolarHBondContact O-CB 3.1Å; E250-C254 PolarHBondContact O-N 3.49Å
251	W	97.9	Very high	95.4	Very high	9 Å²	9	41.4 Å²	41.4	3%	0.034	22%	0.221	C	C	.	.	H	α-helix	trans	-66.2	-41.6	177	-79.6	100.1	0	0	0	112.8	I103 M171 K173 L178 P247 L248 F249 N253 C254 L255	I103-W251 HydrophobicContact CB-CD2 4.03Å; I103-W251 HydrophobicContact CB-CG 4.33Å; I103-W251 HydrophobicContact CB-CZ2 3.88Å; I103-W251 HydrophobicContact CD1-CB 4.41Å; I103-W251 HydrophobicContact CD1-CD2 4.48Å; I103-W251 HydrophobicContact CD1-CG 3.9Å; I103-W251 HydrophobicContact CG2-CD2 3.48Å; I103-W251 VanDerWaalsContact CG2-CD2 3.48Å; I103-W251 VanDerWaalsContact CG2-CE2 3.46Å; I103-W251 HydrophobicContact CG2-CE3 3.74Å; I103-W251 HydrophobicContact CG2-CG 4.01Å; I103-W251 HydrophobicContact CG2-CH2 3.94Å; I103-W251 HydrophobicContact CG2-CZ2 3.72Å; I103-W251 HydrophobicContact CG2-CZ3 3.95Å; M171-W251 HydrophobicContact CB-CE3 4.26Å; M171-W251 HydrophobicContact CB-CH2 4.44Å; M171-W251 HydrophobicContact CB-CZ3 3.83Å; M171-W251 HydrophobicContact CE-CB 4.29Å; M171-W251 HydrophobicContact CE-CD2 4.28Å; M171-W251 HydrophobicContact CE-CE3 3.86Å; M171-W251 HydrophobicContact CE-CG 4.47Å; K173-W251 HydrophobicContact CB-CH2 3.71Å; K173-W251 HydrophobicContact CB-CZ3 4.03Å; L178-W251 HydrophobicContact CD1-CZ3 3.95Å; P247-W251 PolarHBondContact O-N 2.85Å; P247-W251 VanDerWaalsContact O-N 3.07Å; L248-W251 PolarHBondContact O-N 2.93Å; F249-W251 VanDerWaalsContact C-N 3.32Å; F249-W251 PolarHBondContact O-N 2.84Å; W251-N253 VanDerWaalsContact C-N 3.3Å; W251-N253 PolarHBondContact O-N 2.7Å; W251-C254 VanDerWaalsContact O-CB 3.28Å; W251-C254 WeakPolarHBondContact O-CB 3.19Å; W251-C254 PolarHBondContact O-N 3.47Å; W251-L255 WeakPolarHBondContact O-CG 3.36Å; W251-L255 PolarHBondContact O-N 3.21Å; W251-L255 VanDerWaalsContact O-N 3.14Å
252	I	97.4	Very high	95.7	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-57.2	-46.1	175.2	-75.2	168.6	0	0	0	110.5	L230 L233 K234 T241 L248 F249 L255	L230-I252 HydrophobicContact CD2-CG2 3.97Å; L233-I252 HydrophobicContact CB-CD1 4.1Å; L233-I252 HydrophobicContact CB-CG1 3.94Å; L233-I252 HydrophobicContact CD1-CG1 4.25Å; K234-I252 HydrophobicContact CG-CD1 4.32Å; T241-I252 HydrophobicContact CG2-CD1 3.81Å; L248-I252 HydrophobicContact CG-CD1 4.14Å; L248-I252 WeakPolarHBondContact O-CG1 3.41Å; L248-I252 PolarHBondContact O-N 3.16Å; F249-I252 PolarHBondContact O-N 2.74Å; I252-L255 PolarHBondContact O-N 2.96Å
253	N	95.8	Very high	96.1	Very high	65 Å²	65	38 Å²	38	35%	0.348	21%	0.209	S	C	.	.	H	α-helix	trans	-68.4	-37.1	177.7	-68.4	-44	0	0	0	112.5	F249 E250 W251 L255 H256	F249-N253 VanDerWaalsContact CD1-ND2 3.32Å; F249-N253 WeakPolarHBondContact CD1-ND2 3.32Å; F249-N253 WeakPolarHBondContact CE1-ND2 3.31Å; F249-N253 WeakPolarHBondContact CE2-ND2 3.46Å; F249-N253 WeakPolarHBondContact CZ-ND2 3.32Å; F249-N253 PolarHBondContact O-N 3.06Å; F249-N253 PolarHBondContact O-ND2 2.92Å; E250-N253 PolarHBondContact O-N 3.46Å; W251-N253 VanDerWaalsContact C-N 3.3Å; W251-N253 PolarHBondContact O-N 2.7Å; N253-L255 PolarHBondContact O-N 2.95Å; N253-H256 WeakPolarHBondContact O-CB 3.5Å; N253-H256 PolarHBondContact O-N 2.78Å; N253-H256 VanDerWaalsContact O-N 3.15Å
254	C	95.7	Very high	96.3	Very high	18 Å²	18	39.6 Å²	39.6	12%	0.122	21%	0.211	C	C	.	.	H	α-helix	trans	-55.4	-38.5	175.9	-168.3	0	0	0	0	111.6	E250 W251 H256 S257 Y258	E250-C254 VanDerWaalsContact O-CB 3.28Å; E250-C254 WeakPolarHBondContact O-CB 3.1Å; E250-C254 PolarHBondContact O-N 3.49Å; W251-C254 VanDerWaalsContact O-CB 3.28Å; W251-C254 WeakPolarHBondContact O-CB 3.19Å; W251-C254 PolarHBondContact O-N 3.47Å; C254-H256 PolarHBondContact O-N 2.9Å; C254-S257 PolarHBondContact O-N 2.82Å; C254-S257 VanDerWaalsContact O-N 3.11Å; C254-Y258 WeakPolarHBondContact O-CD2 3.47Å; C254-Y258 WeakPolarHBondContact O-CE2 3.38Å
255	L	97.5	Very high	96.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-64.6	-23.5	-178.8	-65.1	170.1	0	0	0	113.9	M171 L178 I180 R226 L229 L230 L233 W251 I252 N253 S257 F260	M171-L255 HydrophobicContact SD-CD2 3.88Å; L178-L255 HydrophobicContact CD2-CD2 3.63Å; I180-L255 HydrophobicContact CD1-CD2 4.48Å; R226-L255 WeakPolarHBondContact CD-O 3.29Å; L229-L255 HydrophobicContact CD2-CD1 4Å; L229-L255 HydrophobicContact CD2-CD2 4.25Å; L229-L255 HydrophobicContact CG-CD1 4.27Å; L230-L255 HydrophobicContact CD2-CB 4.12Å; L230-L255 HydrophobicContact CD2-CD1 3.88Å; L233-L255 HydrophobicContact CD1-CD1 3.52Å; W251-L255 WeakPolarHBondContact O-CG 3.36Å; W251-L255 PolarHBondContact O-N 3.21Å; W251-L255 VanDerWaalsContact O-N 3.14Å; I252-L255 PolarHBondContact O-N 2.96Å; N253-L255 PolarHBondContact O-N 2.95Å; L255-S257 PolarHBondContact O-N 3.07Å; L255-F260 HydrophobicContact CD2-CZ 3.86Å; L255-F260 WeakPolarHBondContact O-CE2 3.14Å
256	H	95.9	Very high	97	Very high	49 Å²	49	30.3 Å²	30.3	23%	0.227	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-69.3	-20.3	176.1	-60.7	153.1	0	0	0	112.8	L216 N253 C254	L216-H256 HydrophobicContact CD1-CB 4.18Å; L216-H256 VanDerWaalsContact CD1-CD2 3.47Å; L216-H256 WeakPolarHBondContact CD1-CD2 3.34Å; L216-H256 HydrophobicContact CD2-CB 4.17Å; L216-H256 WeakPolarHBondContact CD2-O 3.31Å; N253-H256 WeakPolarHBondContact O-CB 3.5Å; N253-H256 PolarHBondContact O-N 2.78Å; N253-H256 VanDerWaalsContact O-N 3.15Å; C254-H256 PolarHBondContact O-N 2.9Å
257	S	96.3	Very high	97.2	Very high	34 Å²	34	30.1 Å²	30.1	24%	0.238	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-87.5	-0.4	-174.8	-54.4	0	0	0	0	114.3	L207 L208 C254 L255	L207-S257 WeakPolarHBondContact CA-O 3.41Å; L208-S257 PolarHBondContact N-O 3.07Å; C254-S257 PolarHBondContact O-N 2.82Å; C254-S257 VanDerWaalsContact O-N 3.11Å; L255-S257 PolarHBondContact O-N 3.07Å
258	Y	97.9	Very high	97.4	Very high	5 Å²	5	29.8 Å²	29.8	2%	0.02	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-117.6	150.9	-175.5	-60.3	-86	0	0	0	113.3	G177 L178 L205 K206 L207 L208 R226 C254 F260	G177-Y258 VanDerWaalsContact C-CE1 3.45Å; L178-Y258 HydrophobicContact CB-CD1 3.64Å; L178-Y258 HydrophobicContact CB-CD2 3.96Å; L178-Y258 HydrophobicContact CB-CE1 3.62Å; L178-Y258 HydrophobicContact CB-CE2 3.94Å; L178-Y258 HydrophobicContact CB-CG 3.83Å; L178-Y258 HydrophobicContact CD2-CD2 3.8Å; L178-Y258 HydrophobicContact CD2-CE2 4.11Å; L178-Y258 HydrophobicContact CD2-CG 4.19Å; L178-Y258 HydrophobicContact CG-CD2 4.47Å; L178-Y258 HydrophobicContact CG-CE2 4.47Å; L205-Y258 HydrophobicContact CB-CD1 4.47Å; L205-Y258 WeakPolarHBondContact O-CD1 3.33Å; K206-Y258 CarbonylContact O-C 3.53Å; K206-Y258 VanDerWaalsContact O-CA 3.29Å; K206-Y258 WeakPolarHBondContact O-CA 3.19Å; L207-Y258 HydrophobicContact CD2-CD1 3.95Å; L207-Y258 HydrophobicContact CD2-CE1 3.43Å; L207-Y258 VanDerWaalsContact CD2-CE1 3.43Å; L207-Y258 HydrophobicContact CD2-CE2 4.41Å; L207-Y258 HydrophobicContact CG-CD1 4.32Å; L207-Y258 HydrophobicContact CG-CE1 3.88Å; L208-Y258 WeakPolarHBondContact CD1-O 3.4Å; R226-Y258 PolarHBondContact NH1-O 2.89Å; C254-Y258 WeakPolarHBondContact O-CD2 3.47Å; C254-Y258 WeakPolarHBondContact O-CE2 3.38Å; Y258-F260 WeakPolarHBondContact O-CD2 3.44Å
259	D	98	Very high	97.4	Very high	25 Å²	25	30.1 Å²	30.1	13%	0.134	15%	0.149	C	C	.	.			trans	-82.5	113	176.1	-170.3	-2.5	0	0	0	110.9	K206 L208 R261	K206-D259 PolarHBondContact O-N 2.77Å; L208-D259 HydrophobicContact CD2-CB 3.53Å; L208-D259 HydrophobicContact CG-CB 4.24Å; D259-R261 VanDerWaalsContact OD1-CB 3.29Å; D259-R261 WeakPolarHBondContact OD1-CB 3.23Å; D259-R261 VanDerWaalsContact OD1-CG 3.3Å; D259-R261 WeakPolarHBondContact OD1-CG 3.18Å; D259-R261 IonicContact OD1-CZ 2.66Å; D259-R261 PolarHBondContact OD1-N 2.84Å; D259-R261 VanDerWaalsContact OD1-N 3.09Å; D259-R261 IonicContact OD1-NE 2.79Å; D259-R261 PolarHBondContact OD1-NE 2.71Å; D259-R261 IonicContact OD1-NH2 2.86Å; D259-R261 IonicContact OD2-CZ 2.66Å; D259-R261 IonicContact OD2-NE 3.37Å; D259-R261 PolarHBondContact OD2-NE 2.87Å; D259-R261 VanDerWaalsContact OD2-NE 3.14Å; D259-R261 IonicContact OD2-NH2 2.64Å; D259-R261 PolarHBondContact OD2-NH2 3.46Å
260	F	98.5	Very high	97.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.139	C	C	.	.			trans	-95.9	-6.2	-179.1	-82.3	-114.5	0	0	0	113.2	I180 L205 T219 S221 F225 R226 L229 L255 Y258 I263	I180-F260 HydrophobicContact CD1-CE1 3.57Å; I180-F260 HydrophobicContact CD1-CZ 3.81Å; L205-F260 HydrophobicContact CD1-CD1 4.02Å; L205-F260 HydrophobicContact CD1-CD2 3.99Å; L205-F260 HydrophobicContact CD1-CE1 3.79Å; L205-F260 HydrophobicContact CD1-CE2 3.77Å; L205-F260 HydrophobicContact CD1-CG 4.11Å; L205-F260 HydrophobicContact CD1-CZ 3.65Å; T219-F260 PolarHBondContact O-N 3.35Å; S221-F260 WeakPolarHBondContact CB-O 3.49Å; F225-F260 AromaticContact CD1-CD1 3.83Å; F225-F260 HydrophobicContact CD1-CD1 3.83Å; F225-F260 AromaticContact CD1-CE1 3.89Å; F225-F260 HydrophobicContact CD1-CE1 3.89Å; F225-F260 HydrophobicContact CE1-CE1 4.26Å; R226-F260 HydrophobicContact CB-CB 4.05Å; R226-F260 HydrophobicContact CB-CD1 3.53Å; R226-F260 HydrophobicContact CB-CD2 3.96Å; R226-F260 HydrophobicContact CB-CE1 3.89Å; R226-F260 HydrophobicContact CB-CE2 4.27Å; R226-F260 HydrophobicContact CB-CG 3.59Å; R226-F260 HydrophobicContact CB-CZ 4.25Å; R226-F260 HydrophobicContact CG-CD1 4.14Å; R226-F260 HydrophobicContact CG-CD2 3.93Å; R226-F260 HydrophobicContact CG-CE1 4.08Å; R226-F260 HydrophobicContact CG-CE2 3.85Å; R226-F260 HydrophobicContact CG-CG 4.09Å; R226-F260 HydrophobicContact CG-CZ 3.94Å; L229-F260 HydrophobicContact CD2-CE1 4.5Å; L255-F260 HydrophobicContact CD2-CZ 3.86Å; L255-F260 WeakPolarHBondContact O-CE2 3.14Å; Y258-F260 WeakPolarHBondContact O-CD2 3.44Å; F260-I263 HydrophobicContact CB-CD1 4.47Å; F260-I263 HydrophobicContact CD1-CD1 3.46Å; F260-I263 VanDerWaalsContact CD1-CD1 3.46Å; F260-I263 HydrophobicContact CE1-CD1 4.01Å; F260-I263 HydrophobicContact CG-CD1 4.2Å; F260-I263 PolarHBondContact O-N 2.84Å
261	R	97.8	Very high	97.6	Very high	123 Å²	123	24 Å²	24	46%	0.464	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-36.4	179.4	-69.4	176	-67.4	-176.2	2.3	114.8	D218 T219 D220 D259 I263	D218-R261 WeakPolarHBondContact O-CD 3.35Å; T219-R261 PolarHBondContact O-N 2.52Å; D220-R261 VanDerWaalsContact O-CG 3.3Å; D220-R261 WeakPolarHBondContact O-CG 3.29Å; D259-R261 VanDerWaalsContact OD1-CB 3.29Å; D259-R261 WeakPolarHBondContact OD1-CB 3.23Å; D259-R261 VanDerWaalsContact OD1-CG 3.3Å; D259-R261 WeakPolarHBondContact OD1-CG 3.18Å; D259-R261 IonicContact OD1-CZ 2.66Å; D259-R261 PolarHBondContact OD1-N 2.84Å; D259-R261 VanDerWaalsContact OD1-N 3.09Å; D259-R261 IonicContact OD1-NE 2.79Å; D259-R261 PolarHBondContact OD1-NE 2.71Å; D259-R261 IonicContact OD1-NH2 2.86Å; D259-R261 IonicContact OD2-CZ 2.66Å; D259-R261 IonicContact OD2-NE 3.37Å; D259-R261 PolarHBondContact OD2-NE 2.87Å; D259-R261 VanDerWaalsContact OD2-NE 3.14Å; D259-R261 IonicContact OD2-NH2 2.64Å; D259-R261 PolarHBondContact OD2-NH2 3.46Å; R261-I263 PolarHBondContact O-N 2.84Å
262	P	96.8	Very high	97.6	Very high	62 Å²	62	23.6 Å²	23.6	40%	0.403	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-14.7	179.3	-23.6	36.1	0	0	0	115.6	P203 K264	P203-P262 HydrophobicContact CB-CB 4.41Å; P203-P262 HydrophobicContact CG-CB 4.28Å; P262-K264 PolarHBondContact O-N 2.97Å
263	I	98.2	Very high	97.6	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.026	12%	0.121	C	C	.	.			trans	-74.8	127	-177.3	-70.1	165.2	0	0	0	110.6	W200 L205 S221 F225 F260 R261 V265	W200-I263 HydrophobicContact CH2-CG2 4.36Å; W200-I263 HydrophobicContact CZ2-CG2 4.23Å; L205-I263 HydrophobicContact CD1-CD1 3.99Å; L205-I263 HydrophobicContact CD2-CD1 3.83Å; L205-I263 HydrophobicContact CD2-CG1 3.97Å; S221-I263 WeakPolarHBondContact CB-O 3.3Å; F225-I263 HydrophobicContact CB-CB 4.41Å; F225-I263 HydrophobicContact CB-CG2 3.81Å; F225-I263 HydrophobicContact CD1-CD1 3.76Å; F225-I263 HydrophobicContact CD1-CG2 4.31Å; F225-I263 HydrophobicContact CD2-CG2 3.55Å; F225-I263 HydrophobicContact CE1-CD1 4.08Å; F225-I263 HydrophobicContact CE2-CG2 4.16Å; F225-I263 HydrophobicContact CG-CB 4.47Å; F225-I263 HydrophobicContact CG-CD1 4.16Å; F225-I263 HydrophobicContact CG-CG2 3.63Å; F260-I263 HydrophobicContact CB-CD1 4.47Å; F260-I263 HydrophobicContact CD1-CD1 3.46Å; F260-I263 VanDerWaalsContact CD1-CD1 3.46Å; F260-I263 HydrophobicContact CE1-CD1 4.01Å; F260-I263 HydrophobicContact CG-CD1 4.2Å; F260-I263 PolarHBondContact O-N 2.84Å; R261-I263 PolarHBondContact O-N 2.84Å; I263-V265 HydrophobicContact CG2-CG2 3.93Å
264	K	96.9	Very high	97.7	Very high	77 Å²	77	26.6 Å²	26.6	34%	0.335	13%	0.128	S	C	.	.			trans	-105.7	-15.8	-177.8	-66.1	-179.6	177.4	-178.3	0	114.6	P262 N447 Y448	P262-K264 PolarHBondContact O-N 2.97Å; K264-N447 HydrophobicContact CB-CB 4.38Å; K264-N447 VanDerWaalsContact O-CB 3.25Å; K264-N447 WeakPolarHBondContact O-CB 3.26Å; K264-N447 PolarHBondContact O-ND2 2.94Å; K264-Y448 HydrophobicContact CB-CE1 4.11Å; K264-Y448 HydrophobicContact CB-CE2 4.34Å; K264-Y448 HydrophobicContact CD-CD1 3.69Å; K264-Y448 HydrophobicContact CD-CE1 3.63Å; K264-Y448 HydrophobicContact CD-CG 4.38Å
265	V	98.2	Very high	97.8	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	13%	0.125	C	C	.	.	S	Bend	trans	-83	155.3	179.8	-61.4	0	0	0	0	111.1	W200 T223 F225 I263 V441 L442 F443	W200-V265 HydrophobicContact CD2-CG2 4.23Å; W200-V265 HydrophobicContact CH2-CG2 3.76Å; W200-V265 HydrophobicContact CZ2-CG2 3.29Å; W200-V265 HydrophobicContact CZ3-CG2 4.42Å; T223-V265 VanDerWaalsContact CB-O 3.29Å; T223-V265 WeakPolarHBondContact CB-O 3.49Å; T223-V265 PolarHBondContact OG1-O 2.62Å; F225-V265 HydrophobicContact CD2-CG2 4.02Å; F225-V265 HydrophobicContact CE2-CG2 3.78Å; I263-V265 HydrophobicContact CG2-CG2 3.93Å; V265-V441 HydrophobicContact CB-CB 4.01Å; V265-V441 HydrophobicContact CB-CG1 4.42Å; V265-V441 HydrophobicContact CG1-CB 4.41Å; V265-V441 HydrophobicContact CG2-CB 3.88Å; V265-V441 HydrophobicContact CG2-CG1 3.75Å; V265-L442 WeakPolarHBondContact CA-O 3.32Å; V265-F443 HydrophobicContact CG1-CD1 3.65Å; V265-F443 HydrophobicContact CG1-CE1 3.48Å; V265-F443 VanDerWaalsContact CG1-CE1 3.48Å; V265-F443 HydrophobicContact CG1-CE2 4.4Å; V265-F443 HydrophobicContact CG1-CG 4.18Å; V265-F443 HydrophobicContact CG1-CZ 3.9Å
266	V	98.5	Very high	97.8	Very high	9 Å²	9	28.7 Å²	28.7	6%	0.055	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	133.5	171	-175.6	0	0	0	0	108.9	T223 I268 V291 V441 L442 L444	T223-V266 HydrophobicContact CG2-CG2 3.75Å; V266-I268 HydrophobicContact CG1-CD1 4.28Å; V266-V291 HydrophobicContact CB-CG1 4.46Å; V266-V291 HydrophobicContact CG1-CG1 4.09Å; V266-V291 HydrophobicContact CG1-CG2 4.02Å; V266-V291 HydrophobicContact CG2-CG1 4.27Å; V266-V441 WeakPolarHBondContact O-CA 3.17Å; V266-L442 HydrophobicContact CB-CB 4.24Å; V266-L442 PolarHBondContact N-O 2.85Å; V266-L442 PolarHBondContact O-N 3.26Å; V266-L444 HydrophobicContact CG2-CD1 3.8Å
267	L	98.8	Very high	97.8	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	127.6	177	-166.4	72.5	0	0	0	110	I182 F225 D228 L229 L439 V441	I182-L267 HydrophobicContact CD1-CD1 3.62Å; F225-L267 HydrophobicContact CD2-CB 4Å; F225-L267 HydrophobicContact CD2-CD1 4.47Å; F225-L267 HydrophobicContact CE2-CB 4.06Å; F225-L267 HydrophobicContact CE2-CD1 3.71Å; F225-L267 HydrophobicContact CE2-CG 4.44Å; F225-L267 HydrophobicContact CZ-CD1 3.81Å; D228-L267 HydrophobicContact CB-CB 4.03Å; D228-L267 HydrophobicContact CB-CD2 3.94Å; L229-L267 VanDerWaalsContact CA-CD2 3.48Å; L229-L267 HydrophobicContact CB-CD2 3.86Å; L229-L267 HydrophobicContact CD1-CD2 4.28Å; L267-L439 HydrophobicContact CD1-CD1 3.81Å; L267-L439 HydrophobicContact CD1-CD2 4.31Å; L267-L439 HydrophobicContact CD1-CG 3.98Å; L267-L439 HydrophobicContact CD2-CD1 4.07Å; L267-L439 HydrophobicContact CG-CD1 3.96Å; L267-V441 HydrophobicContact CD1-CG1 4.44Å
268	I	98.7	Very high	97.6	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	108.4	174.5	-55.7	-62	0	0	0	107.7	V266 R287 L288 V291 L411 G440 L442	V266-I268 HydrophobicContact CG1-CD1 4.28Å; I268-R287 HydrophobicContact CD1-CG 4.1Å; I268-L288 HydrophobicContact CD1-CD1 4.37Å; I268-L288 HydrophobicContact CG1-CD1 4.45Å; I268-L288 HydrophobicContact CG2-CB 4.36Å; I268-V291 HydrophobicContact CD1-CG2 4.23Å; I268-L411 HydrophobicContact CB-CD1 4.11Å; I268-L411 HydrophobicContact CG1-CD1 4.06Å; I268-G440 PolarHBondContact N-O 2.63Å; I268-G440 PolarHBondContact O-N 2.62Å; I268-L442 HydrophobicContact CD1-CB 4.38Å; I268-L442 HydrophobicContact CD1-CD2 4.34Å; I268-L442 HydrophobicContact CG1-CB 3.79Å
269	A	98.7	Very high	97.5	Very high	7 Å²	7	37.8 Å²	37.8	6%	0.058	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	151.8	-176.5	0	0	0	0	0	112	Y232 F283 G284 E438 L439	Y232-A269 HydrophobicContact CD2-CB 3.57Å; Y232-A269 HydrophobicContact CE2-CB 4.21Å; Y232-A269 HydrophobicContact CG-CB 4.16Å; A269-F283 HydrophobicContact CB-CD1 4.1Å; A269-F283 HydrophobicContact CB-CE1 4.43Å; A269-F283 CarbonylContact O-C 3.5Å; A269-F283 VanDerWaalsContact O-CA 3.24Å; A269-F283 WeakPolarHBondContact O-CA 3.35Å; A269-F283 WeakPolarHBondContact O-CB 3.49Å; A269-G284 PolarHBondContact O-N 2.72Å; A269-E438 WeakPolarHBondContact CA-O 3.27Å; A269-L439 HydrophobicContact CB-CD1 3.58Å
270	S	98.7	Very high	97.5	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	135	163.8	-63.8	0	0	0	0	108.7	A421 Y437 E438	S270-A421 WeakPolarHBondContact CB-O 3.22Å; S270-A421 PolarHBondContact OG-O 3.07Å; S270-Y437 VanDerWaalsContact O-CA 3.27Å; S270-Y437 WeakPolarHBondContact O-CA 3.42Å; S270-E438 PolarHBondContact N-O 2.84Å; S270-E438 PolarHBondContact O-N 2.87Å
271	V	98.1	Very high	97.3	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.012	23%	0.225	C	C	.	.			trans	-122.9	128.4	179.8	166	0	0	0	0	108.7	Y232 S235 G273 H275 F283 I434 Y437	Y232-V271 HydrophobicContact CD2-CG2 3.74Å; Y232-V271 HydrophobicContact CE2-CG2 4.24Å; S235-V271 WeakPolarHBondContact OG-CG1 3.38Å; S235-V271 WeakPolarHBondContact OG-CG2 3.34Å; V271-G273 PolarHBondContact O-N 3.29Å; V271-H275 PolarHBondContact O-NE2 3.01Å; V271-F283 HydrophobicContact CB-CD1 4.06Å; V271-F283 HydrophobicContact CB-CD2 4.04Å; V271-F283 HydrophobicContact CB-CE1 4.23Å; V271-F283 HydrophobicContact CB-CE2 4.19Å; V271-F283 HydrophobicContact CB-CG 3.96Å; V271-F283 HydrophobicContact CB-CZ 4.29Å; V271-F283 HydrophobicContact CG2-CD1 3.55Å; V271-F283 HydrophobicContact CG2-CD2 4.27Å; V271-F283 HydrophobicContact CG2-CE1 3.41Å; V271-F283 VanDerWaalsContact CG2-CE1 3.41Å; V271-F283 HydrophobicContact CG2-CE2 4.14Å; V271-F283 HydrophobicContact CG2-CG 3.98Å; V271-F283 HydrophobicContact CG2-CZ 3.72Å; V271-I434 WeakPolarHBondContact O-CB 3.23Å; V271-I434 WeakPolarHBondContact O-CG2 3.35Å; V271-Y437 HydrophobicContact CB-CD1 4.45Å; V271-Y437 HydrophobicContact CB-CE1 4.24Å; V271-Y437 HydrophobicContact CG1-CE1 3.84Å; V271-Y437 HydrophobicContact CG2-CD1 4.33Å; V271-Y437 HydrophobicContact CG2-CE1 4.29Å
272	S	97.3	Very high	97.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-59.9	125.1	177.3	177.9	0	0	0	0	111.1	R159 I434 R435 Y437	R159-S272 WeakPolarHBondContact CD-O 3.46Å; R159-S272 PolarHBondContact N-OG 3.33Å; S272-I434 CarbonylContact C-O 3.47Å; S272-I434 WeakPolarHBondContact CA-O 3.19Å; S272-R435 WeakPolarHBondContact CB-O 3.18Å; S272-R435 PolarHBondContact OG-O 3.28Å; S272-R435 VanDerWaalsContact OG-O 3.07Å; S272-Y437 VanDerWaalsContact CB-CE2 3.46Å
273	G	97.1	Very high	97.4	Very high	5 Å²	5	38 Å²	38	5%	0.052	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.9	-171.7	177.7	0	0	0	0	0	113.5	V271 I434	V271-G273 PolarHBondContact O-N 3.29Å; G273-I434 PolarHBondContact N-O 3.38Å; G273-I434 PolarHBondContact O-N 2.86Å; G273-I434 VanDerWaalsContact O-O 3.07Å
274	R	97.3	Very high	97.4	Very high	127 Å²	127	37.8 Å²	37.8	48%	0.479	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	118.8	173.1	-71.9	-177.3	171.8	94.4	-1.3	109.2	E426 Q431 L432 M433	R274-E426 IonicContact CZ-OE2 2.68Å; R274-E426 IonicContact NE-OE2 3.52Å; R274-E426 PolarHBondContact NE-OE2 3.26Å; R274-E426 IonicContact NH2-OE2 2.85Å; R274-Q431 HydrophobicContact CB-CG 4.01Å; R274-Q431 HydrophobicContact CG-CG 4.47Å; R274-L432 CarbonylContact C-O 3.49Å; R274-L432 WeakPolarHBondContact CA-O 3.21Å; R274-M433 HydrophobicContact CG-CB 4.34Å; R274-M433 HydrophobicContact CG-CG 4.14Å
275	H	97.8	Very high	97.5	Very high	16 Å²	16	34.1 Å²	34.1	7%	0.074	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	130	-174.8	-54.8	-77.8	0	0	0	109.7	V271 L280 F283 Q431 L432	V271-H275 PolarHBondContact O-NE2 3.01Å; H275-L280 WeakPolarHBondContact O-CD1 3.22Å; H275-F283 AromaticContact CE1-CD2 3.4Å; H275-F283 WeakPolarHBondContact CE1-CD2 3.15Å; H275-F283 AromaticContact CE1-CE2 3.91Å; H275-F283 AromaticContact ND1-CD2 3.6Å; H275-F283 AromaticContact NE2-CD2 3.98Å; H275-Q431 CarbonylContact O-C 3.39Å; H275-Q431 VanDerWaalsContact O-CA 3.31Å; H275-Q431 WeakPolarHBondContact O-CA 3.36Å; H275-L432 PolarHBondContact N-O 3.32Å; H275-L432 PolarHBondContact O-N 3.27Å
276	A	97.4	Very high	97.4	Very high	47 Å²	47	34.4 Å²	34.4	39%	0.388	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	168.2	-179.2	0	0	0	0	0	110	E278 S279	A276-E278 PolarHBondContact O-N 2.86Å; A276-S279 PolarHBondContact O-N 2.81Å; A276-S279 VanDerWaalsContact O-N 3.16Å
277	G	95.9	Very high	97.4	Very high	61 Å²	61	36.3 Å²	36.3	63%	0.629	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	58.1	-132	-178.3	0	0	0	0	0	111.7	S279 L280	G277-S279 PolarHBondContact O-N 3.07Å; G277-L280 WeakPolarHBondContact O-CB 3.43Å; G277-L280 PolarHBondContact O-N 3.33Å; G277-L280 VanDerWaalsContact O-N 3.09Å
278	E	93.2	Very high	97.3	Very high	177 Å²	177	36.1 Å²	36.1	83%	0.827	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-60.4	-27.2	179.1	-63	-179	177.3	0	0	113.3	A276 L280	A276-E278 PolarHBondContact O-N 2.86Å; E278-L280 VanDerWaalsContact C-N 3.28Å; E278-L280 PolarHBondContact O-N 2.88Å
279	S	95.4	Very high	97.1	Very high	41 Å²	41	36.7 Å²	36.7	29%	0.287	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-78.3	-10.6	179.1	-60.7	0	0	0	0	113.7	A276 G277 K281 K282	A276-S279 PolarHBondContact O-N 2.81Å; A276-S279 VanDerWaalsContact O-N 3.16Å; G277-S279 PolarHBondContact O-N 3.07Å; S279-K281 PolarHBondContact O-N 3.1Å; S279-K282 PolarHBondContact O-N 2.98Å; S279-K282 VanDerWaalsContact O-N 3.09Å
280	L	97.2	Very high	96.9	Very high	31 Å²	31	39 Å²	39	16%	0.162	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-58.4	-26.9	-175	-168.9	71.2	0	0	0	113.1	H275 G277 E278 T286 Y425 L432	H275-L280 WeakPolarHBondContact O-CD1 3.22Å; G277-L280 WeakPolarHBondContact O-CB 3.43Å; G277-L280 PolarHBondContact O-N 3.33Å; G277-L280 VanDerWaalsContact O-N 3.09Å; E278-L280 VanDerWaalsContact C-N 3.28Å; E278-L280 PolarHBondContact O-N 2.88Å; L280-T286 WeakPolarHBondContact O-CB 3.36Å; L280-T286 PolarHBondContact O-OG1 2.53Å; L280-Y425 HydrophobicContact CD1-CD1 4.45Å; L280-Y425 HydrophobicContact CD1-CE1 4.1Å; L280-Y425 HydrophobicContact CD2-CE1 4.39Å; L280-Y425 HydrophobicContact CG-CE1 4.29Å; L280-L432 HydrophobicContact CD1-CB 3.87Å
281	K	96	Very high	96.8	Very high	98 Å²	98	39.2 Å²	39.2	43%	0.426	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-111.1	9.2	-178.3	-60.7	-179.7	171.3	-166.2	0	113.9	S279 R287 E290	S279-K281 PolarHBondContact O-N 3.1Å; K281-R287 WeakPolarHBondContact O-CA 3.48Å; K281-R287 WeakPolarHBondContact O-CB 3.19Å; K281-R287 WeakPolarHBondContact O-CD 3.36Å; K281-E290 HydrophobicContact CB-CB 4.39Å; K281-E290 HydrophobicContact CD-CB 4.44Å; K281-E290 HydrophobicContact CD-CG 4.25Å; K281-E290 WeakPolarHBondContact CD-OE2 3.34Å; K281-E290 WeakPolarHBondContact CE-OE2 3.29Å; K281-E290 IonicContact NZ-OE1 3.93Å; K281-E290 PolarHBondContact NZ-OE1 2.87Å; K281-E290 IonicContact NZ-OE2 2.95Å; K281-E290 PolarHBondContact NZ-OE2 2.81Å
282	K	97.3	Very high	96.5	Very high	71 Å²	71	39.8 Å²	39.8	31%	0.309	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-27.5	-176.6	-71.5	-171.6	175.1	-170.3	0	113.9	E231 S279 R287	E231-K282 WeakPolarHBondContact OE1-CD 3.32Å; E231-K282 IonicContact OE1-NZ 3.68Å; E231-K282 PolarHBondContact OE1-NZ 3.33Å; S279-K282 PolarHBondContact O-N 2.98Å; S279-K282 VanDerWaalsContact O-N 3.09Å; K282-R287 WeakPolarHBondContact O-CB 3.48Å; K282-R287 WeakPolarHBondContact O-CG 3.11Å
283	F	98.4	Very high	96.2	Very high	15 Å²	15	46.6 Å²	46.6	7%	0.066	24%	0.244	C	C	.	.	S	Bend	trans	-136.2	162.7	-173.7	-56.8	-66	0	0	0	113	E231 A269 V271 H275 T286 I434	E231-F283 HydrophobicContact CG-CZ 4.16Å; A269-F283 HydrophobicContact CB-CD1 4.1Å; A269-F283 HydrophobicContact CB-CE1 4.43Å; A269-F283 CarbonylContact O-C 3.5Å; A269-F283 VanDerWaalsContact O-CA 3.24Å; A269-F283 WeakPolarHBondContact O-CA 3.35Å; A269-F283 WeakPolarHBondContact O-CB 3.49Å; V271-F283 HydrophobicContact CB-CD1 4.06Å; V271-F283 HydrophobicContact CB-CD2 4.04Å; V271-F283 HydrophobicContact CB-CE1 4.23Å; V271-F283 HydrophobicContact CB-CE2 4.19Å; V271-F283 HydrophobicContact CB-CG 3.96Å; V271-F283 HydrophobicContact CB-CZ 4.29Å; V271-F283 HydrophobicContact CG2-CD1 3.55Å; V271-F283 HydrophobicContact CG2-CD2 4.27Å; V271-F283 HydrophobicContact CG2-CE1 3.41Å; V271-F283 VanDerWaalsContact CG2-CE1 3.41Å; V271-F283 HydrophobicContact CG2-CE2 4.14Å; V271-F283 HydrophobicContact CG2-CG 3.98Å; V271-F283 HydrophobicContact CG2-CZ 3.72Å; H275-F283 AromaticContact CE1-CD2 3.4Å; H275-F283 WeakPolarHBondContact CE1-CD2 3.15Å; H275-F283 AromaticContact CE1-CE2 3.91Å; H275-F283 AromaticContact ND1-CD2 3.6Å; H275-F283 AromaticContact NE2-CD2 3.98Å; F283-T286 PolarHBondContact O-OG1 3.29Å; F283-I434 HydrophobicContact CB-CD1 3.65Å
284	G	98.5	Very high	95.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	68.1	-152.5	173.9	0	0	0	0	0	113.6	A269 T286 R287 L288 W422	A269-G284 PolarHBondContact O-N 2.72Å; G284-T286 PolarHBondContact O-N 2.88Å; G284-R287 PolarHBondContact O-N 3.03Å; G284-L288 PolarHBondContact O-N 2.71Å; G284-W422 CarbonylContact C-O 3.51Å; G284-W422 VanDerWaalsContact CA-O 3.26Å; G284-W422 WeakPolarHBondContact CA-O 3.26Å
285	H	98	Very high	94.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.3	-29.2	-174.7	71.7	81.9	0	0	0	111.8	L288 G289 E326 S330 W422 G423 L432	H285-L288 WeakPolarHBondContact O-CB 3.38Å; H285-L288 PolarHBondContact O-N 3.09Å; H285-G289 PolarHBondContact O-N 3.19Å; H285-E326 IonicContact CE1-OE1 3.24Å; H285-E326 IonicContact NE2-OE1 3.45Å; H285-E326 PolarHBondContact NE2-OE1 3.02Å; H285-E326 VanDerWaalsContact NE2-OE1 3.16Å; H285-S330 PolarHBondContact ND1-OG 3.25Å; H285-S330 WeakPolarHBondContact O-CB 3.36Å; H285-W422 HydrophobicContact CB-CB 4.33Å; H285-W422 HydrophobicContact CB-CD2 4.48Å; H285-W422 HydrophobicContact CB-CE3 3.76Å; H285-W422 HydrophobicContact CB-CZ3 4.43Å; H285-W422 PolarHBondContact CD2-O 3.07Å; H285-W422 PolarHBondContact N-O 3.17Å; H285-G423 PolarHBondContact CD2-O 3.38Å; H285-L432 WeakPolarHBondContact NE2-CD1 3.5Å
286	T	97.4	Very high	93.3	Very high	6 Å²	6	47.7 Å²	47.7	4%	0.037	27%	0.266	C	S	.	.	H	α-helix	trans	-69.7	-33.9	179.8	59.4	0	0	0	0	112.2	L280 F283 G284 G289 E290 Y425 L432	L280-T286 WeakPolarHBondContact O-CB 3.36Å; L280-T286 PolarHBondContact O-OG1 2.53Å; F283-T286 PolarHBondContact O-OG1 3.29Å; G284-T286 PolarHBondContact O-N 2.88Å; T286-G289 PolarHBondContact O-N 3.05Å; T286-E290 PolarHBondContact O-N 3.24Å; T286-Y425 HydrophobicContact CG2-CE1 3.94Å; T286-Y425 VanDerWaalsContact CG2-OH 3.24Å; T286-Y425 WeakPolarHBondContact CG2-OH 3.36Å; T286-L432 HydrophobicContact CG2-CD1 4.1Å; T286-L432 HydrophobicContact CG2-CD2 3.86Å; T286-L432 WeakPolarHBondContact OG1-CD2 3.42Å
287	R	97.6	Very high	91.6	Very high	49 Å²	49	50.5 Å²	50.5	19%	0.185	28%	0.282	C	S	.	.	H	α-helix	trans	-62.4	-46.6	170.7	177.5	56.8	177.9	161.8	-5.4	111.6	D228 I268 K281 K282 G284 G289 E290 V291	D228-R287 IonicContact OD1-NH2 3.73Å; D228-R287 IonicContact OD2-CZ 3.48Å; D228-R287 IonicContact OD2-NE 3.4Å; D228-R287 IonicContact OD2-NH2 3.33Å; D228-R287 PolarHBondContact OD2-NH2 3.4Å; I268-R287 HydrophobicContact CD1-CG 4.1Å; K281-R287 WeakPolarHBondContact O-CA 3.48Å; K281-R287 WeakPolarHBondContact O-CB 3.19Å; K281-R287 WeakPolarHBondContact O-CD 3.36Å; K282-R287 WeakPolarHBondContact O-CB 3.48Å; K282-R287 WeakPolarHBondContact O-CG 3.11Å; G284-R287 PolarHBondContact O-N 3.03Å; R287-G289 VanDerWaalsContact C-N 3.3Å; R287-G289 PolarHBondContact O-N 2.91Å; R287-E290 PolarHBondContact O-N 2.9Å; R287-V291 WeakPolarHBondContact O-CG2 3.33Å; R287-V291 PolarHBondContact O-N 3.13Å
288	L	97.1	Very high	90.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58.7	-45.4	175.2	178.7	60.9	0	0	0	110.9	I268 G284 H285 E290 V291 L292 L331 L411 W422 L442	I268-L288 HydrophobicContact CD1-CD1 4.37Å; I268-L288 HydrophobicContact CG1-CD1 4.45Å; I268-L288 HydrophobicContact CG2-CB 4.36Å; G284-L288 PolarHBondContact O-N 2.71Å; H285-L288 WeakPolarHBondContact O-CB 3.38Å; H285-L288 PolarHBondContact O-N 3.09Å; L288-E290 PolarHBondContact O-N 3.15Å; L288-V291 PolarHBondContact O-N 3.34Å; L288-L292 HydrophobicContact CD1-CD1 3.78Å; L288-L292 HydrophobicContact CD1-CD2 4.5Å; L288-L292 HydrophobicContact CD1-CG 3.9Å; L288-L292 HydrophobicContact CG-CD1 3.82Å; L288-L292 HydrophobicContact CG-CG 4.31Å; L288-L292 WeakPolarHBondContact O-CB 3.34Å; L288-L292 VanDerWaalsContact O-CG 3.28Å; L288-L292 WeakPolarHBondContact O-CG 3.32Å; L288-L292 PolarHBondContact O-N 3.45Å; L288-L331 HydrophobicContact CD2-CD1 3.97Å; L288-L331 HydrophobicContact CD2-CG 3.78Å; L288-L411 HydrophobicContact CD1-CD2 4.37Å; L288-L411 HydrophobicContact CD2-CD2 3.89Å; L288-W422 HydrophobicContact CB-CZ3 4.5Å; L288-W422 HydrophobicContact CD2-CH2 3.99Å; L288-W422 HydrophobicContact CD2-CZ3 4.05Å; L288-L442 HydrophobicContact CD1-CD1 3.94Å; L288-L442 HydrophobicContact CD1-CD2 3.89Å; L288-L442 HydrophobicContact CD1-CG 4.49Å
289	G	95.2	Very high	90.4	Very high	14 Å²	14	45.5 Å²	45.5	14%	0.144	24%	0.243	C	C	.	.	H	α-helix	trans	-58.9	-43.4	176.4	0	0	0	0	0	113.6	H285 T286 R287 L292 Q293 S330	H285-G289 PolarHBondContact O-N 3.19Å; T286-G289 PolarHBondContact O-N 3.05Å; R287-G289 VanDerWaalsContact C-N 3.3Å; R287-G289 PolarHBondContact O-N 2.91Å; G289-L292 PolarHBondContact O-N 3.03Å; G289-Q293 VanDerWaalsContact O-CB 3.27Å; G289-Q293 WeakPolarHBondContact O-CB 3.09Å; G289-Q293 PolarHBondContact O-N 2.97Å; G289-S330 WeakPolarHBondContact CA-O 3.47Å
290	E	94.7	Very high	90	Very high	55 Å²	55	46.4 Å²	46.4	26%	0.257	25%	0.248	S	C	.	.	H	α-helix	trans	-63.3	-45.4	177.9	-173.6	68.7	169.1	0	0	112.2	K281 T286 R287 L288 Q293 T294	K281-E290 HydrophobicContact CB-CB 4.39Å; K281-E290 HydrophobicContact CD-CB 4.44Å; K281-E290 HydrophobicContact CD-CG 4.25Å; K281-E290 WeakPolarHBondContact CD-OE2 3.34Å; K281-E290 WeakPolarHBondContact CE-OE2 3.29Å; K281-E290 IonicContact NZ-OE1 3.93Å; K281-E290 PolarHBondContact NZ-OE1 2.87Å; K281-E290 IonicContact NZ-OE2 2.95Å; K281-E290 PolarHBondContact NZ-OE2 2.81Å; T286-E290 PolarHBondContact O-N 3.24Å; R287-E290 PolarHBondContact O-N 2.9Å; L288-E290 PolarHBondContact O-N 3.15Å; E290-Q293 PolarHBondContact O-N 3.22Å; E290-T294 PolarHBondContact O-N 3.23Å; E290-T294 VanDerWaalsContact O-N 3.12Å; E290-T294 PolarHBondContact O-OG1 3.46Å
291	V	94.8	Very high	89.5	Confident	9 Å²	9	48.9 Å²	48.9	6%	0.055	27%	0.268	C	S	.	.	H	α-helix	trans	-64.3	-46.1	178.5	175	0	0	0	0	110.5	V266 I268 R287 L288 Q293 T294 C295 L442 L444	V266-V291 HydrophobicContact CB-CG1 4.46Å; V266-V291 HydrophobicContact CG1-CG1 4.09Å; V266-V291 HydrophobicContact CG1-CG2 4.02Å; V266-V291 HydrophobicContact CG2-CG1 4.27Å; I268-V291 HydrophobicContact CD1-CG2 4.23Å; R287-V291 WeakPolarHBondContact O-CG2 3.33Å; R287-V291 PolarHBondContact O-N 3.13Å; L288-V291 PolarHBondContact O-N 3.34Å; V291-Q293 PolarHBondContact O-N 3.45Å; V291-T294 PolarHBondContact O-N 2.91Å; V291-C295 WeakPolarHBondContact O-CB 3.01Å; V291-C295 PolarHBondContact O-N 2.84Å; V291-C295 PolarHBondContact O-SG 3.09Å; V291-L442 HydrophobicContact CB-CD2 4.34Å; V291-L442 HydrophobicContact CG1-CD2 3.58Å; V291-L444 HydrophobicContact CG1-CD1 4.07Å
292	L	93.5	Very high	89.2	Confident	14 Å²	14	47.5 Å²	47.5	7%	0.073	27%	0.27	C	S	.	.	H	α-helix	trans	-67.3	-35.1	179.9	-68.7	178.4	0	0	0	112.8	L288 G289 T294 N296 W409 L442 L444	L288-L292 HydrophobicContact CD1-CD1 3.78Å; L288-L292 HydrophobicContact CD1-CD2 4.5Å; L288-L292 HydrophobicContact CD1-CG 3.9Å; L288-L292 HydrophobicContact CG-CD1 3.82Å; L288-L292 HydrophobicContact CG-CG 4.31Å; L288-L292 WeakPolarHBondContact O-CB 3.34Å; L288-L292 VanDerWaalsContact O-CG 3.28Å; L288-L292 WeakPolarHBondContact O-CG 3.32Å; L288-L292 PolarHBondContact O-N 3.45Å; G289-L292 PolarHBondContact O-N 3.03Å; L292-T294 VanDerWaalsContact C-N 3.3Å; L292-T294 PolarHBondContact O-N 3.02Å; L292-N296 HydrophobicContact CD2-CB 4.37Å; L292-N296 CarbonylContact O-C 3.47Å; L292-N296 WeakPolarHBondContact O-CA 3.49Å; L292-N296 WeakPolarHBondContact O-CB 3.24Å; L292-N296 PolarHBondContact O-N 2.88Å; L292-W409 HydrophobicContact CD1-CD2 4.25Å; L292-W409 HydrophobicContact CD1-CH2 4.46Å; L292-W409 HydrophobicContact CD1-CZ2 3.85Å; L292-W409 HydrophobicContact CD2-CB 4.2Å; L292-W409 HydrophobicContact CD2-CD2 3.92Å; L292-W409 HydrophobicContact CD2-CG 3.65Å; L292-L442 HydrophobicContact CD2-CD2 4.2Å; L292-L444 HydrophobicContact CD2-CD2 4.19Å
293	Q	89.7	Confident	89	Confident	143 Å²	143	45.2 Å²	45.2	67%	0.668	26%	0.26	S	S	*	.	H	α-helix	trans	-64	-38.3	174.6	-177.3	174	2.9	0	0	111.6	G289 E290 V291	G289-Q293 VanDerWaalsContact O-CB 3.27Å; G289-Q293 WeakPolarHBondContact O-CB 3.09Å; G289-Q293 PolarHBondContact O-N 2.97Å; E290-Q293 PolarHBondContact O-N 3.22Å; V291-Q293 PolarHBondContact O-N 3.45Å
294	T	85.2	Confident	88.8	Confident	104 Å²	104	44.7 Å²	44.7	64%	0.638	26%	0.258	S	S	*	.	H	α-helix	trans	-78.4	-39.6	-178	-52.4	0	0	0	0	111.9	E290 V291 L292	E290-T294 PolarHBondContact O-N 3.23Å; E290-T294 VanDerWaalsContact O-N 3.12Å; E290-T294 PolarHBondContact O-OG1 3.46Å; V291-T294 PolarHBondContact O-N 2.91Å; L292-T294 VanDerWaalsContact C-N 3.3Å; L292-T294 PolarHBondContact O-N 3.02Å
295	C	77.5	Confident	88.7	Confident	49 Å²	49	44.7 Å²	44.7	33%	0.331	26%	0.258	S	S	.	.	H	α-helix	trans	-103.9	-14.5	-168.8	-59.2	0	0	0	0	114.8	V291 L444	V291-C295 WeakPolarHBondContact O-CB 3.01Å; V291-C295 PolarHBondContact O-N 2.84Å; V291-C295 PolarHBondContact O-SG 3.09Å; C295-L444 HydrophobicContact CB-CD1 3.69Å; C295-L444 HydrophobicContact CB-CD2 4.43Å
296	N	68.9	Low	88.7	Confident	18 Å²	18	44.7 Å²	44.7	10%	0.096	26%	0.258	C	S	.	.			trans	-139.4	37.1	-166.3	-141.1	2.1	0	0	0	114.8	L292 Q298 I299 G408	L292-N296 HydrophobicContact CD2-CB 4.37Å; L292-N296 CarbonylContact O-C 3.47Å; L292-N296 WeakPolarHBondContact O-CA 3.49Å; L292-N296 WeakPolarHBondContact O-CB 3.24Å; L292-N296 PolarHBondContact O-N 2.88Å; N296-Q298 PolarHBondContact O-N 3.31Å; N296-I299 HydrophobicContact CB-CG1 4.4Å; N296-I299 WeakPolarHBondContact ND2-CG1 3.13Å; N296-I299 PolarHBondContact O-N 3.22Å; N296-I299 VanDerWaalsContact OD1-CD1 3.27Å; N296-I299 WeakPolarHBondContact OD1-CD1 3.2Å; N296-I299 VanDerWaalsContact OD1-CG1 3.23Å; N296-I299 WeakPolarHBondContact OD1-CG1 3.5Å; N296-G408 PolarHBondContact ND2-O 2.87Å
297	S	61.6	Low	88.7	Confident	106 Å²	106	44.4 Å²	44.4	74%	0.741	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-7.1	-179	56.4	0	0	0	0	114.9
298	Q	77.1	Confident	88.8	Confident	117 Å²	117	42 Å²	42	55%	0.547	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-6	-173.6	-59.8	-167.8	14.2	0	0	115.4	N296 P300 H453	N296-Q298 PolarHBondContact O-N 3.31Å; Q298-P300 VanDerWaalsContact O-CD 3.25Å; Q298-P300 WeakPolarHBondContact O-CD 3.45Å; Q298-H453 VanDerWaalsContact CD-CD2 3.41Å; Q298-H453 PolarHBondContact NE2-NE2 3.47Å; Q298-H453 PolarHBondContact OE1-CD2 3.46Å; Q298-H453 PolarHBondContact OE1-NE2 2.74Å
299	I	87.5	Confident	88.8	Confident	15 Å²	15	42 Å²	42	8%	0.077	25%	0.247	C	C	.	.	S	Bend	trans	-68.3	117.7	-179	-54.7	-56.2	0	0	0	110.1	N296 S301 W303 R399 H453	N296-I299 HydrophobicContact CB-CG1 4.4Å; N296-I299 WeakPolarHBondContact ND2-CG1 3.13Å; N296-I299 PolarHBondContact O-N 3.22Å; N296-I299 VanDerWaalsContact OD1-CD1 3.27Å; N296-I299 WeakPolarHBondContact OD1-CD1 3.2Å; N296-I299 VanDerWaalsContact OD1-CG1 3.23Å; N296-I299 WeakPolarHBondContact OD1-CG1 3.5Å; I299-S301 PolarHBondContact O-N 2.83Å; I299-W303 HydrophobicContact CG2-CB 3.91Å; I299-W303 HydrophobicContact CG2-CD2 3.86Å; I299-W303 HydrophobicContact CG2-CE3 3.67Å; I299-W303 HydrophobicContact CG2-CG 4Å; I299-W303 HydrophobicContact CG2-CZ3 4.45Å; I299-R399 VanDerWaalsContact CB-NH1 3.29Å; I299-R399 HydrophobicContact CG2-CB 4.15Å; I299-R399 VanDerWaalsContact CG2-CZ 3.46Å; I299-R399 PolarHBondContact O-NH1 3.42Å; I299-H453 WeakPolarHBondContact CD1-O 3.46Å
300	P	87.9	Confident	88.9	Confident	61 Å²	61	41.4 Å²	41.4	40%	0.396	24%	0.241	S	C	.	.			trans	-55.6	137.6	-174.5	-25.7	34.2	0	0	0	111.9	Q298 S302 W303 R399	Q298-P300 VanDerWaalsContact O-CD 3.25Å; Q298-P300 WeakPolarHBondContact O-CD 3.45Å; P300-S302 PolarHBondContact O-N 2.9Å; P300-W303 WeakPolarHBondContact O-CB 3.31Å; P300-W303 PolarHBondContact O-N 3.34Å; P300-R399 PolarHBondContact O-NH2 3.02Å
301	S	86.3	Confident	89.1	Confident	83 Å²	83	40 Å²	40	58%	0.58	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-19.6	-178.3	57.4	0	0	0	0	114.3	I299 W303	I299-S301 PolarHBondContact O-N 2.83Å; S301-W303 VanDerWaalsContact C-N 3.28Å; S301-W303 PolarHBondContact O-N 3.27Å
302	S	88.7	Confident	89.2	Confident	68 Å²	68	39.9 Å²	39.9	48%	0.476	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-15.6	174.5	57.1	0	0	0	0	114.5	P300 P304	P300-S302 PolarHBondContact O-N 2.9Å; S302-P304 WeakPolarHBondContact O-CD 3.26Å
303	W	93.1	Very high	89.4	Confident	23 Å²	23	40.1 Å²	40.1	9%	0.087	24%	0.241	C	C	.	.	S	Bend	trans	-77.6	112	-178.5	-73.7	33.3	0	0	0	110.4	I299 P300 S301 R399 M400 Q406	I299-W303 HydrophobicContact CG2-CB 3.91Å; I299-W303 HydrophobicContact CG2-CD2 3.86Å; I299-W303 HydrophobicContact CG2-CE3 3.67Å; I299-W303 HydrophobicContact CG2-CG 4Å; I299-W303 HydrophobicContact CG2-CZ3 4.45Å; P300-W303 WeakPolarHBondContact O-CB 3.31Å; P300-W303 PolarHBondContact O-N 3.34Å; S301-W303 VanDerWaalsContact C-N 3.28Å; S301-W303 PolarHBondContact O-N 3.27Å; W303-R399 HydrophobicContact CB-CB 4.48Å; W303-R399 PolarHBondContact O-NE 3.03Å; W303-R399 VanDerWaalsContact O-NE 3.12Å; W303-R399 PolarHBondContact O-NH2 3.46Å; W303-M400 CarbonylContact C-O 3.49Å; W303-M400 WeakPolarHBondContact CA-O 3.46Å; W303-M400 WeakPolarHBondContact CB-O 3.42Å; W303-M400 VanDerWaalsContact CG-O 3.31Å; W303-Q406 HydrophobicContact CH2-CB 3.56Å; W303-Q406 HydrophobicContact CZ2-CB 4.34Å; W303-Q406 HydrophobicContact CZ3-CB 4.11Å
304	P	95.2	Very high	89.8	Confident	4 Å²	4	36 Å²	36	3%	0.026	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-64.2	152.9	179.9	26.5	-38.5	0	0	0	112.6	S302 I306 G338 R340 R399 M400	S302-P304 WeakPolarHBondContact O-CD 3.26Å; P304-I306 HydrophobicContact CB-CD1 4.44Å; P304-I306 HydrophobicContact CG-CD1 4.25Å; P304-G338 CarbonylContact C-O 3.45Å; P304-G338 WeakPolarHBondContact CA-O 3.45Å; P304-G338 VanDerWaalsContact CB-O 3.23Å; P304-G338 WeakPolarHBondContact CB-O 3.39Å; P304-R340 HydrophobicContact CB-CG 4.19Å; P304-R399 VanDerWaalsContact O-CA 3.3Å; P304-R399 WeakPolarHBondContact O-CA 3.49Å; P304-M400 WeakPolarHBondContact CD-O 3.14Å; P304-M400 HydrophobicContact CG-CE 3.95Å; P304-M400 PolarHBondContact O-N 3.32Å
305	V	96	Very high	90.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	128.3	164.6	178.6	0	0	0	0	108.6	L331 A332 G338 L339 R340 M341 T398 R399	V305-L331 HydrophobicContact CG1-CB 4.21Å; V305-L331 HydrophobicContact CG1-CD2 3.71Å; V305-L331 HydrophobicContact CG2-CB 4.17Å; V305-A332 HydrophobicContact CG2-CB 3.35Å; V305-G338 PolarHBondContact N-O 3.18Å; V305-L339 HydrophobicContact CB-CD2 3.78Å; V305-L339 HydrophobicContact CG1-CD2 4.49Å; V305-L339 HydrophobicContact CG2-CD2 4.07Å; V305-R340 PolarHBondContact O-N 3.36Å; V305-M341 HydrophobicContact CG1-CE 4.3Å; V305-T398 WeakPolarHBondContact CA-O 3.42Å; V305-R399 HydrophobicContact CG2-CG 4.23Å
306	I	97.4	Very high	91.2	Very high	0 Å²	0	29 Å²	29	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.7	168.7	-43.4	-58	0	0	0	107.7	P304 R340 I342 Y397 T398 M400 Y479 L481 P483	P304-I306 HydrophobicContact CB-CD1 4.44Å; P304-I306 HydrophobicContact CG-CD1 4.25Å; I306-R340 WeakPolarHBondContact CA-O 3.44Å; I306-R340 HydrophobicContact CD1-CB 3.65Å; I306-R340 HydrophobicContact CD1-CG 3.97Å; I306-I342 HydrophobicContact CG2-CD1 3.79Å; I306-I342 HydrophobicContact CG2-CG1 4.25Å; I306-Y397 CarbonylContact O-C 3.59Å; I306-Y397 WeakPolarHBondContact O-CA 3.13Å; I306-T398 HydrophobicContact CB-CG2 3.75Å; I306-T398 HydrophobicContact CG1-CG2 4.05Å; I306-T398 PolarHBondContact N-O 2.85Å; I306-T398 PolarHBondContact O-N 2.87Å; I306-M400 HydrophobicContact CD1-CB 4.14Å; I306-M400 HydrophobicContact CD1-CE 4.19Å; I306-M400 HydrophobicContact CD1-SD 4.13Å; I306-M400 HydrophobicContact CG1-CB 3.72Å; I306-M400 HydrophobicContact CG1-SD 4.28Å; I306-Y479 HydrophobicContact CG2-CE2 3.85Å; I306-L481 HydrophobicContact CG1-CD2 4.4Å; I306-L481 HydrophobicContact CG2-CD2 4.48Å; I306-P483 HydrophobicContact CD1-CG 4.22Å
307	G	98.2	Very high	92.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	133.7	172.8	0	0	0	0	0	109.3	R340 M341 I342	G307-R340 PolarHBondContact N-O 3.49Å; G307-R340 VanDerWaalsContact N-O 3.1Å; G307-M341 CarbonylContact O-C 3.56Å; G307-M341 VanDerWaalsContact O-CA 3.32Å; G307-M341 WeakPolarHBondContact O-CA 3.4Å; G307-I342 PolarHBondContact O-N 3.25Å
308	Q	98.5	Very high	94.3	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.1	172	-177.6	-75.5	-46.4	0	0	107	I342 W382 I394 K395 S396 Y479	Q308-I342 HydrophobicContact CB-CB 4Å; Q308-I342 HydrophobicContact CB-CG2 4.47Å; Q308-I342 HydrophobicContact CG-CB 4.04Å; Q308-I342 HydrophobicContact CG-CG2 3.97Å; Q308-W382 HydrophobicContact CG-CE3 4.47Å; Q308-W382 HydrophobicContact CG-CZ3 4.26Å; Q308-I394 PolarHBondContact NE2-O 3.41Å; Q308-I394 PolarHBondContact OE1-O 2.71Å; Q308-K395 CarbonylContact O-C 3.53Å; Q308-K395 VanDerWaalsContact O-CA 3.26Å; Q308-K395 WeakPolarHBondContact O-CA 3.01Å; Q308-S396 PolarHBondContact N-O 2.94Å; Q308-S396 PolarHBondContact O-N 3.43Å; Q308-S396 VanDerWaalsContact O-O 3.13Å; Q308-Y479 HydrophobicContact CB-CD1 4.04Å; Q308-Y479 HydrophobicContact CB-CE1 3.43Å; Q308-Y479 VanDerWaalsContact CB-CE1 3.43Å; Q308-Y479 HydrophobicContact CG-CD1 3.97Å; Q308-Y479 HydrophobicContact CG-CE1 3.85Å
309	F	98.6	Very high	95.2	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.187	C	C	.	.			trans	-154.5	161.6	-177.8	39.6	-93.7	0	0	0	109.2	S311 I312 M341 Y343 K395 Y397 L417	F309-S311 WeakPolarHBondContact CD2-O 3.39Å; F309-I312 HydrophobicContact CD2-CG1 3.81Å; F309-I312 HydrophobicContact CE2-CD1 3.77Å; F309-I312 HydrophobicContact CE2-CG1 3.38Å; F309-I312 HydrophobicContact CZ-CG1 4.43Å; F309-M341 HydrophobicContact CE1-CB 4.14Å; F309-M341 HydrophobicContact CE1-CG 4.3Å; F309-M341 HydrophobicContact CE1-SD 3.68Å; F309-M341 HydrophobicContact CZ-CB 3.88Å; F309-M341 HydrophobicContact CZ-CG 4.28Å; F309-M341 HydrophobicContact CZ-SD 4.23Å; F309-Y343 HydrophobicContact CD2-CD2 4.12Å; F309-Y343 AromaticContact CE2-CD2 3.96Å; F309-Y343 HydrophobicContact CE2-CD2 3.96Å; F309-K395 HydrophobicContact CB-CG 4.16Å; F309-Y397 HydrophobicContact CD1-CE1 4.08Å; F309-L417 HydrophobicContact CD1-CB 3.63Å; F309-L417 HydrophobicContact CD2-CB 3.84Å; F309-L417 HydrophobicContact CE1-CB 3.63Å; F309-L417 HydrophobicContact CE1-CD2 3.66Å; F309-L417 HydrophobicContact CE1-CG 4.13Å; F309-L417 HydrophobicContact CE2-CB 3.87Å; F309-L417 HydrophobicContact CE2-CD2 4.03Å; F309-L417 HydrophobicContact CG-CB 3.72Å; F309-L417 HydrophobicContact CZ-CB 3.74Å; F309-L417 HydrophobicContact CZ-CD2 3.35Å; F309-L417 HydrophobicContact CZ-CG 4.14Å
310	S	97.5	Very high	95.5	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.007	21%	0.207	C	C	.	.	S	Bend	trans	-101.1	-13.7	-178.8	80.9	0	0	0	0	112.5	C361 L362 P363 P392 H393 K395 N416	S310-C361 WeakPolarHBondContact CB-O 3.49Å; S310-C361 PolarHBondContact OG-O 3.24Å; S310-L362 CarbonylContact O-C 3.46Å; S310-L362 WeakPolarHBondContact O-CA 3.27Å; S310-P363 WeakPolarHBondContact O-CD 3.23Å; S310-P392 VanDerWaalsContact CB-O 3.3Å; S310-P392 WeakPolarHBondContact CB-O 3.17Å; S310-H393 PolarHBondContact OG-CD2 3.1Å; S310-K395 VanDerWaalsContact OG-CE 3.29Å; S310-K395 WeakPolarHBondContact OG-CE 3.46Å; S310-K395 PolarHBondContact OG-NZ 2.97Å; S310-N416 PolarHBondContact N-OD1 3.39Å; S310-N416 VanDerWaalsContact N-OD1 3.11Å
311	S	97.7	Very high	95.9	Very high	26 Å²	26	33.3 Å²	33.3	18%	0.182	21%	0.205	C	C	.	.			trans	-136.5	153.3	177.5	-175	0	0	0	0	112	F309 P363 N416 L417	F309-S311 WeakPolarHBondContact CD2-O 3.39Å; S311-P363 VanDerWaalsContact CA-O 3.22Å; S311-P363 WeakPolarHBondContact CA-O 3.49Å; S311-P363 WeakPolarHBondContact CB-O 3.35Å; S311-P363 PolarHBondContact OG-O 2.91Å; S311-N416 PolarHBondContact N-OD1 2.88Å; S311-N416 WeakPolarHBondContact O-CB 3.4Å; S311-L417 PolarHBondContact O-N 3.05Å
312	I	98.3	Very high	96.4	Very high	6 Å²	6	29.5 Å²	29.5	3%	0.031	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-127.2	126.5	179.2	-60.8	169.5	0	0	0	109.4	F309 Y343 P363 Y364 L375 F379	F309-I312 HydrophobicContact CD2-CG1 3.81Å; F309-I312 HydrophobicContact CE2-CD1 3.77Å; F309-I312 HydrophobicContact CE2-CG1 3.38Å; F309-I312 HydrophobicContact CZ-CG1 4.43Å; I312-Y343 HydrophobicContact CD1-CD1 4.25Å; I312-Y343 HydrophobicContact CD1-CD2 3.88Å; I312-Y343 HydrophobicContact CD1-CE1 4.28Å; I312-Y343 HydrophobicContact CD1-CE2 3.92Å; I312-Y343 HydrophobicContact CD1-CG 4.05Å; I312-Y343 HydrophobicContact CG1-CD2 4.3Å; I312-Y343 HydrophobicContact CG1-CE2 4.17Å; I312-P363 PolarHBondContact N-O 3.12Å; I312-Y364 HydrophobicContact CB-CD2 3.66Å; I312-Y364 HydrophobicContact CB-CE2 3.99Å; I312-Y364 HydrophobicContact CB-CG 3.97Å; I312-Y364 HydrophobicContact CD1-CD1 3.73Å; I312-Y364 HydrophobicContact CD1-CD2 4.35Å; I312-Y364 HydrophobicContact CD1-CE1 3.86Å; I312-Y364 HydrophobicContact CD1-CE2 4.47Å; I312-Y364 HydrophobicContact CD1-CG 3.98Å; I312-Y364 HydrophobicContact CG1-CG 4.42Å; I312-Y364 HydrophobicContact CG2-CD2 3.95Å; I312-Y364 HydrophobicContact CG2-CE2 3.74Å; I312-L375 HydrophobicContact CD1-CD2 4.19Å; I312-L375 HydrophobicContact CG2-CD2 3.83Å; I312-F379 HydrophobicContact CD1-CE1 3.86Å; I312-F379 HydrophobicContact CD1-CZ 3.64Å
313	G	97.1	Very high	96.7	Very high	18 Å²	18	26.3 Å²	26.3	19%	0.186	16%	0.155	C	C	.	.			trans	-92.5	-178.7	171	0	0	0	0	0	113.2	L315 Q372 L417	G313-L315 WeakPolarHBondContact O-CD2 3.4Å; G313-L315 WeakPolarHBondContact O-CG 3.27Å; G313-L315 PolarHBondContact O-N 3.22Å; G313-Q372 PolarHBondContact O-NE2 3.2Å; G313-Q372 PolarHBondContact O-OE1 3.33Å; G313-L417 PolarHBondContact N-O 3.49Å
314	S	96.6	Very high	96.8	Very high	58 Å²	58	27.4 Å²	27.4	41%	0.406	17%	0.165	S	C	.	.			trans	-72.9	119	172.3	-176.1	0	0	0	0	111
315	L	97.7	Very high	96.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.179	C	C	.	.			trans	-100.7	-25.9	-175.7	-50	-173.7	0	0	0	111.8	G313 W322 F323 W374 L375 L417 K419	G313-L315 WeakPolarHBondContact O-CD2 3.4Å; G313-L315 WeakPolarHBondContact O-CG 3.27Å; G313-L315 PolarHBondContact O-N 3.22Å; L315-W322 HydrophobicContact CB-CE3 4.44Å; L315-W322 HydrophobicContact CD2-CE3 3.94Å; L315-W322 HydrophobicContact CD2-CZ3 3.7Å; L315-F323 HydrophobicContact CD1-CB 4.5Å; L315-F323 HydrophobicContact CD1-CD2 4.21Å; L315-F323 HydrophobicContact CD1-CG 4.46Å; L315-W374 HydrophobicContact CB-CH2 4.02Å; L315-W374 HydrophobicContact CB-CZ2 4.02Å; L315-W374 HydrophobicContact CD1-CH2 4.02Å; L315-L375 HydrophobicContact CD1-CD1 4.04Å; L315-L375 HydrophobicContact CD1-CD2 3.97Å; L315-L417 HydrophobicContact CD1-CD2 3.83Å; L315-L417 HydrophobicContact CD1-CG 4.15Å; L315-L417 HydrophobicContact CD2-CG 4.22Å; L315-K419 WeakPolarHBondContact O-CE 3.18Å; L315-K419 PolarHBondContact O-NZ 3.14Å
316	G	96.4	Very high	96.7	Very high	6 Å²	6	31.2 Å²	31.2	6%	0.062	19%	0.186	C	C	.	.			trans	128.6	159.8	178.8	0	0	0	0	0	112.3	K318 W374	G316-K318 PolarHBondContact O-N 3.38Å; G316-W374 WeakPolarHBondContact O-CZ2 3.43Å; G316-W374 PolarHBondContact O-NE1 2.86Å
317	P	97	Very high	96.7	Very high	99 Å²	99	31.2 Å²	31.2	64%	0.643	19%	0.186	S	C	*	.	S	Bend	trans	-64.2	-22.4	179.9	26.2	-35.8	0	0	0	113.8	D321 K371 W374	P317-D321 WeakPolarHBondContact CD-OD2 3.49Å; P317-D321 VanDerWaalsContact CG-OD2 3.28Å; P317-D321 WeakPolarHBondContact CG-OD2 3.49Å; P317-K371 WeakPolarHBondContact CA-O 3.33Å; P317-W374 VanDerWaalsContact C-NE1 3.34Å; P317-W374 PolarHBondContact O-NE1 2.96Å; P317-W374 VanDerWaalsContact O-NE1 3.16Å
318	K	97.4	Very high	96.5	Very high	130 Å²	130	31.6 Å²	31.6	57%	0.565	19%	0.188	S	C	*	.	S	Bend	trans	-123.3	148.6	177.2	-61.2	175.3	-178	177.2	0	111.4	G316 T320 D321	G316-K318 PolarHBondContact O-N 3.38Å; K318-T320 PolarHBondContact O-N 2.97Å; K318-T320 VanDerWaalsContact O-N 3.11Å; K318-D321 PolarHBondContact N-OD2 3.16Å; K318-D321 WeakPolarHBondContact O-CB 3.37Å; K318-D321 PolarHBondContact O-N 2.79Å; K318-D321 VanDerWaalsContact O-N 3.11Å
319	P	95.7	Very high	96.2	Very high	32 Å²	32	34.5 Å²	34.5	21%	0.208	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-54.5	-33.8	175.7	-20.7	28	0	0	0	113	D321 F323 T324 W374 F378	P319-D321 VanDerWaalsContact C-N 3.31Å; P319-D321 PolarHBondContact O-N 3.07Å; P319-F323 PolarHBondContact O-N 3.44Å; P319-T324 HydrophobicContact CB-CG2 3.54Å; P319-T324 PolarHBondContact O-N 3Å; P319-T324 PolarHBondContact O-OG1 2.85Å; P319-T324 VanDerWaalsContact O-OG1 3.13Å; P319-W374 HydrophobicContact CB-CD2 4.17Å; P319-W374 HydrophobicContact CB-CE3 3.87Å; P319-W374 HydrophobicContact CB-CZ3 4.08Å; P319-W374 HydrophobicContact CG-CB 4.1Å; P319-W374 HydrophobicContact CG-CD2 3.62Å; P319-W374 HydrophobicContact CG-CE3 3.66Å; P319-W374 HydrophobicContact CG-CG 3.82Å; P319-W374 HydrophobicContact CG-CZ3 4.37Å; P319-F378 HydrophobicContact CB-CE2 4.39Å
320	T	95	Very high	96	Very high	80 Å²	80	35.2 Å²	35.2	49%	0.491	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-76.6	-10	-176.1	51.2	0	0	0	0	114.8	K318 W322 T324 T325	K318-T320 PolarHBondContact O-N 2.97Å; K318-T320 VanDerWaalsContact O-N 3.11Å; T320-W322 VanDerWaalsContact C-N 3.28Å; T320-W322 PolarHBondContact O-N 3.22Å; T320-T324 WeakPolarHBondContact CA-OG1 3.3Å; T320-T325 HydrophobicContact CG2-CG2 4.41Å; T320-T325 VanDerWaalsContact O-CG2 3.24Å; T320-T325 WeakPolarHBondContact O-CG2 3.19Å; T320-T325 PolarHBondContact O-OG1 3.22Å
321	D	95.2	Very high	95.8	Very high	66 Å²	66	35.2 Å²	35.2	35%	0.353	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-71.5	-26.4	-175.6	-63.6	-22.6	0	0	0	112.4	P317 K318 P319	P317-D321 WeakPolarHBondContact CD-OD2 3.49Å; P317-D321 VanDerWaalsContact CG-OD2 3.28Å; P317-D321 WeakPolarHBondContact CG-OD2 3.49Å; K318-D321 PolarHBondContact N-OD2 3.16Å; K318-D321 WeakPolarHBondContact O-CB 3.37Å; K318-D321 PolarHBondContact O-N 2.79Å; K318-D321 VanDerWaalsContact O-N 3.11Å; P319-D321 VanDerWaalsContact C-N 3.31Å; P319-D321 PolarHBondContact O-N 3.07Å
322	W	96.5	Very high	95.4	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.008	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-162	-45	-179.5	-177.1	77	0	0	0	112.7	L315 T320 E326 W327 L417 K419 W422 G423	L315-W322 HydrophobicContact CB-CE3 4.44Å; L315-W322 HydrophobicContact CD2-CE3 3.94Å; L315-W322 HydrophobicContact CD2-CZ3 3.7Å; T320-W322 VanDerWaalsContact C-N 3.28Å; T320-W322 PolarHBondContact O-N 3.22Å; W322-E326 PolarHBondContact NE1-OE1 3.12Å; W322-E326 PolarHBondContact O-N 3.3Å; W322-E326 VanDerWaalsContact O-N 3.12Å; W322-W327 HydrophobicContact CD2-CB 3.92Å; W322-W327 HydrophobicContact CE3-CB 4Å; W322-W327 HydrophobicContact CE3-CG 4.43Å; W322-W327 HydrophobicContact CH2-CB 3.8Å; W322-W327 AromaticContact CH2-CD1 3.42Å; W322-W327 VanDerWaalsContact CH2-CD1 3.42Å; W322-W327 HydrophobicContact CH2-CD2 4.28Å; W322-W327 AromaticContact CH2-CG 3.55Å; W322-W327 HydrophobicContact CH2-CG 3.55Å; W322-W327 HydrophobicContact CZ2-CB 3.72Å; W322-W327 AromaticContact CZ2-CD1 3.62Å; W322-W327 AromaticContact CZ2-CG 3.84Å; W322-W327 HydrophobicContact CZ2-CG 3.84Å; W322-W327 HydrophobicContact CZ3-CB 3.92Å; W322-W327 HydrophobicContact CZ3-CD2 4.33Å; W322-W327 AromaticContact CZ3-CG 3.86Å; W322-W327 HydrophobicContact CZ3-CG 3.86Å; W322-W327 PolarHBondContact O-N 2.94Å; W322-L417 HydrophobicContact CH2-CD1 4.4Å; W322-L417 HydrophobicContact CZ3-CD1 4.03Å; W322-K419 VanDerWaalsContact CB-CE 3.45Å; W322-K419 HydrophobicContact CD2-CG 3.81Å; W322-K419 HydrophobicContact CE3-CG 4.32Å; W322-K419 HydrophobicContact CG-CD 4.34Å; W322-K419 VanDerWaalsContact CG-CE 3.5Å; W322-K419 HydrophobicContact CG-CG 4.04Å; W322-K419 HydrophobicContact CZ2-CG 4.24Å; W322-W422 HydrophobicContact CH2-CB 4.02Å; W322-W422 HydrophobicContact CH2-CG 4.41Å; W322-W422 HydrophobicContact CZ2-CB 3.74Å; W322-G423 WeakPolarHBondContact CZ2-O 3.22Å; W322-G423 PolarHBondContact NE1-O 3.4Å
323	F	96.7	Very high	94.7	Very high	1 Å²	1	36 Å²	36	0%	0.004	23%	0.227	C	C	.	.	I	π-helix	trans	-67.5	-56.7	-168.7	177.6	-111.9	0	0	0	113	L315 P319 T325 W327 S328 L339 M341 W374 L375 F378 L417	L315-F323 HydrophobicContact CD1-CB 4.5Å; L315-F323 HydrophobicContact CD1-CD2 4.21Å; L315-F323 HydrophobicContact CD1-CG 4.46Å; P319-F323 PolarHBondContact O-N 3.44Å; F323-T325 VanDerWaalsContact C-N 3.28Å; F323-T325 PolarHBondContact O-N 3.01Å; F323-W327 AromaticContact CD2-CE3 3.72Å; F323-W327 HydrophobicContact CD2-CE3 3.72Å; F323-W327 AromaticContact CD2-CZ3 3.84Å; F323-W327 HydrophobicContact CD2-CZ3 3.84Å; F323-W327 AromaticContact CE2-CE3 3.87Å; F323-W327 HydrophobicContact CE2-CE3 3.87Å; F323-W327 HydrophobicContact CE2-CH2 4.32Å; F323-W327 AromaticContact CE2-CZ3 3.47Å; F323-W327 HydrophobicContact CE2-CZ3 3.47Å; F323-W327 VanDerWaalsContact CE2-CZ3 3.47Å; F323-W327 HydrophobicContact CZ-CZ3 4.36Å; F323-S328 WeakPolarHBondContact O-CB 3.13Å; F323-S328 PolarHBondContact O-N 3.33Å; F323-S328 PolarHBondContact O-OG 3.33Å; F323-L339 HydrophobicContact CD1-CD1 3.87Å; F323-L339 HydrophobicContact CE1-CB 4.27Å; F323-L339 HydrophobicContact CE1-CD1 3.37Å; F323-L339 HydrophobicContact CE1-CG 4.45Å; F323-L339 HydrophobicContact CE2-CD1 4.28Å; F323-L339 HydrophobicContact CG-CD1 4.5Å; F323-L339 HydrophobicContact CZ-CB 4.07Å; F323-L339 HydrophobicContact CZ-CD1 3.6Å; F323-L339 HydrophobicContact CZ-CG 4.44Å; F323-M341 HydrophobicContact CE2-CG 4.05Å; F323-M341 HydrophobicContact CE2-SD 4.01Å; F323-M341 HydrophobicContact CZ-CG 3.68Å; F323-M341 HydrophobicContact CZ-SD 4.12Å; F323-W374 HydrophobicContact CB-CH2 3.69Å; F323-W374 HydrophobicContact CB-CZ3 4.23Å; F323-W374 AromaticContact CD1-CH2 3.89Å; F323-W374 HydrophobicContact CD1-CH2 3.89Å; F323-W374 AromaticContact CD1-CZ3 3.52Å; F323-W374 HydrophobicContact CD1-CZ3 3.52Å; F323-W374 HydrophobicContact CE1-CZ3 4.14Å; F323-W374 AromaticContact CG-CH2 3.95Å; F323-W374 HydrophobicContact CG-CH2 3.95Å; F323-W374 HydrophobicContact CG-CZ3 4.05Å; F323-L375 HydrophobicContact CE1-CD1 4.32Å; F323-L375 HydrophobicContact CZ-CD1 4.28Å; F323-F378 HydrophobicContact CD1-CD2 4.34Å; F323-F378 HydrophobicContact CD1-CE2 4.22Å; F323-F378 HydrophobicContact CE1-CB 4.28Å; F323-F378 AromaticContact CE1-CD1 3.96Å; F323-F378 HydrophobicContact CE1-CD1 3.96Å; F323-F378 AromaticContact CE1-CD2 3.64Å; F323-F378 HydrophobicContact CE1-CD2 3.64Å; F323-F378 HydrophobicContact CE1-CE1 4.16Å; F323-F378 AromaticContact CE1-CE2 3.86Å; F323-F378 HydrophobicContact CE1-CE2 3.86Å; F323-F378 AromaticContact CE1-CG 3.7Å; F323-F378 HydrophobicContact CE1-CG 3.7Å; F323-F378 HydrophobicContact CE1-CZ 4.12Å; F323-F378 HydrophobicContact CZ-CB 4.39Å; F323-F378 HydrophobicContact CZ-CG 4.26Å; F323-L417 HydrophobicContact CD2-CD1 4.26Å; F323-L417 HydrophobicContact CD2-CD2 4.32Å; F323-L417 HydrophobicContact CE2-CD1 4.22Å; F323-L417 HydrophobicContact CE2-CD2 3.95Å
324	T	94.7	Very high	93.3	Very high	47 Å²	47	45.6 Å²	45.6	29%	0.288	26%	0.263	S	S	.	.	I	π-helix	trans	-87.3	5.9	-177.5	70.6	0	0	0	0	113.8	P319 T320 S328 L339 F378	P319-T324 HydrophobicContact CB-CG2 3.54Å; P319-T324 PolarHBondContact O-N 3Å; P319-T324 PolarHBondContact O-OG1 2.85Å; P319-T324 VanDerWaalsContact O-OG1 3.13Å; T320-T324 WeakPolarHBondContact CA-OG1 3.3Å; T324-S328 VanDerWaalsContact CA-OG 3.23Å; T324-S328 WeakPolarHBondContact CA-OG 3.26Å; T324-S328 PolarHBondContact O-OG 3.49Å; T324-L339 HydrophobicContact CG2-CD1 4.02Å; T324-F378 HydrophobicContact CG2-CE1 4.44Å; T324-F378 HydrophobicContact CG2-CE2 4.43Å; T324-F378 HydrophobicContact CG2-CZ 3.83Å
325	T	93.5	Very high	91.4	Very high	53 Å²	53	44.9 Å²	44.9	33%	0.325	27%	0.265	S	S	.	.	I	π-helix	trans	-124.4	-84.7	-177.6	50.6	0	0	0	0	109.5	T320 F323 S328 S329	T320-T325 HydrophobicContact CG2-CG2 4.41Å; T320-T325 VanDerWaalsContact O-CG2 3.24Å; T320-T325 WeakPolarHBondContact O-CG2 3.19Å; T320-T325 PolarHBondContact O-OG1 3.22Å; F323-T325 VanDerWaalsContact C-N 3.28Å; F323-T325 PolarHBondContact O-N 3.01Å; T325-S328 PolarHBondContact N-OG 2.8Å; T325-S329 WeakPolarHBondContact O-CB 3.41Å; T325-S329 PolarHBondContact O-N 3.31Å; T325-S329 PolarHBondContact O-OG 3.35Å
326	E	95.1	Very high	89.5	Confident	30 Å²	30	46 Å²	46	14%	0.14	27%	0.274	C	S	.	.	I	π-helix	trans	-64.9	-57.2	-171.2	-179.8	175.7	137	0	0	113.6	H285 W322 S330 A424 Y425	H285-E326 IonicContact CE1-OE1 3.24Å; H285-E326 IonicContact NE2-OE1 3.45Å; H285-E326 PolarHBondContact NE2-OE1 3.02Å; H285-E326 VanDerWaalsContact NE2-OE1 3.16Å; W322-E326 PolarHBondContact NE1-OE1 3.12Å; W322-E326 PolarHBondContact O-N 3.3Å; W322-E326 VanDerWaalsContact O-N 3.12Å; E326-S330 PolarHBondContact O-N 3.45Å; E326-S330 PolarHBondContact O-OG 3.44Å; E326-A424 WeakPolarHBondContact OE1-CA 3.29Å; E326-Y425 HydrophobicContact CG-CD2 3.53Å; E326-Y425 HydrophobicContact CG-CE2 3.82Å; E326-Y425 PolarHBondContact OE1-N 3.17Å; E326-Y425 WeakPolarHBondContact OE2-CB 3.42Å; E326-Y425 VanDerWaalsContact OE2-CD2 3.32Å; E326-Y425 WeakPolarHBondContact OE2-CD2 3.21Å; E326-Y425 PolarHBondContact OE2-N 3.22Å
327	W	96.3	Very high	88.2	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.312	C	S	.	.	I	π-helix	trans	-65.2	-54.8	-176.2	175.8	76.9	0	0	0	110.7	W322 F323 S329 S330 L331 M341 Y397 L417 W422	W322-W327 HydrophobicContact CD2-CB 3.92Å; W322-W327 HydrophobicContact CE3-CB 4Å; W322-W327 HydrophobicContact CE3-CG 4.43Å; W322-W327 HydrophobicContact CH2-CB 3.8Å; W322-W327 AromaticContact CH2-CD1 3.42Å; W322-W327 VanDerWaalsContact CH2-CD1 3.42Å; W322-W327 HydrophobicContact CH2-CD2 4.28Å; W322-W327 AromaticContact CH2-CG 3.55Å; W322-W327 HydrophobicContact CH2-CG 3.55Å; W322-W327 HydrophobicContact CZ2-CB 3.72Å; W322-W327 AromaticContact CZ2-CD1 3.62Å; W322-W327 AromaticContact CZ2-CG 3.84Å; W322-W327 HydrophobicContact CZ2-CG 3.84Å; W322-W327 HydrophobicContact CZ3-CB 3.92Å; W322-W327 HydrophobicContact CZ3-CD2 4.33Å; W322-W327 AromaticContact CZ3-CG 3.86Å; W322-W327 HydrophobicContact CZ3-CG 3.86Å; W322-W327 PolarHBondContact O-N 2.94Å; F323-W327 AromaticContact CD2-CE3 3.72Å; F323-W327 HydrophobicContact CD2-CE3 3.72Å; F323-W327 AromaticContact CD2-CZ3 3.84Å; F323-W327 HydrophobicContact CD2-CZ3 3.84Å; F323-W327 AromaticContact CE2-CE3 3.87Å; F323-W327 HydrophobicContact CE2-CE3 3.87Å; F323-W327 HydrophobicContact CE2-CH2 4.32Å; F323-W327 AromaticContact CE2-CZ3 3.47Å; F323-W327 HydrophobicContact CE2-CZ3 3.47Å; F323-W327 VanDerWaalsContact CE2-CZ3 3.47Å; F323-W327 HydrophobicContact CZ-CZ3 4.36Å; W327-S329 VanDerWaalsContact C-N 3.33Å; W327-S329 PolarHBondContact O-N 3.13Å; W327-S330 WeakPolarHBondContact O-CB 3.17Å; W327-S330 PolarHBondContact O-N 2.93Å; W327-L331 HydrophobicContact CD2-CD1 4.08Å; W327-L331 HydrophobicContact CG-CD1 4.25Å; W327-L331 HydrophobicContact CH2-CD2 3.7Å; W327-L331 HydrophobicContact CZ2-CD1 4.09Å; W327-L331 HydrophobicContact CZ2-CD2 3.36Å; W327-L331 HydrophobicContact CZ2-CG 4.4Å; W327-L331 HydrophobicContact CZ3-CD2 4.44Å; W327-L331 WeakPolarHBondContact O-CD1 3.23Å; W327-L331 PolarHBondContact O-N 3.18Å; W327-M341 HydrophobicContact CH2-CE 4.07Å; W327-M341 HydrophobicContact CH2-SD 3.93Å; W327-M341 HydrophobicContact CZ3-CE 4.27Å; W327-M341 HydrophobicContact CZ3-SD 4.26Å; W327-Y397 HydrophobicContact CH2-CD1 4.18Å; W327-Y397 HydrophobicContact CH2-CE1 4.05Å; W327-Y397 AromaticContact CZ2-CD1 3.77Å; W327-Y397 HydrophobicContact CZ2-CD1 3.77Å; W327-Y397 AromaticContact CZ2-CE1 3.52Å; W327-Y397 HydrophobicContact CZ2-CE1 3.52Å; W327-L417 HydrophobicContact CD2-CD1 4.14Å; W327-L417 HydrophobicContact CE3-CD1 4.27Å; W327-L417 HydrophobicContact CH2-CD1 3.85Å; W327-L417 HydrophobicContact CZ2-CD1 3.7Å; W327-L417 HydrophobicContact CZ3-CD1 4.13Å; W327-W422 AromaticContact CD1-CG 3.86Å; W327-W422 AromaticContact NE1-CD1 3.69Å; W327-W422 AromaticContact NE1-CD2 3.7Å; W327-W422 AromaticContact NE1-CE2 3.81Å; W327-W422 AromaticContact NE1-CG 3.61Å; W327-W422 AromaticContact NE1-NE1 3.81Å
328	S	95	Very high	87.9	Confident	8 Å²	8	53.1 Å²	53.1	6%	0.056	30%	0.296	C	S	.	.	H	α-helix	trans	-62.6	-33.9	-179.8	49.7	0	0	0	0	113.7	F323 T324 T325 S330 L331 A332	F323-S328 WeakPolarHBondContact O-CB 3.13Å; F323-S328 PolarHBondContact O-N 3.33Å; F323-S328 PolarHBondContact O-OG 3.33Å; T324-S328 VanDerWaalsContact CA-OG 3.23Å; T324-S328 WeakPolarHBondContact CA-OG 3.26Å; T324-S328 PolarHBondContact O-OG 3.49Å; T325-S328 PolarHBondContact N-OG 2.8Å; S328-S330 PolarHBondContact O-N 3.13Å; S328-L331 PolarHBondContact O-N 3.25Å; S328-A332 WeakPolarHBondContact O-CB 3.37Å; S328-A332 PolarHBondContact O-N 3.05Å
329	S	92.7	Very high	87.8	Confident	62 Å²	62	47.7 Å²	47.7	43%	0.434	27%	0.273	S	S	.	.	H	α-helix	trans	-60.7	-29.7	174.6	-66.8	0	0	0	0	112.4	T325 W327 G333	T325-S329 WeakPolarHBondContact O-CB 3.41Å; T325-S329 PolarHBondContact O-N 3.31Å; T325-S329 PolarHBondContact O-OG 3.35Å; W327-S329 VanDerWaalsContact C-N 3.33Å; W327-S329 PolarHBondContact O-N 3.13Å; S329-G333 CarbonylContact O-C 3.34Å; S329-G333 WeakPolarHBondContact O-CA 3.19Å; S329-G333 PolarHBondContact O-N 2.96Å
330	S	94.2	Very high	87.9	Confident	15 Å²	15	48.9 Å²	48.9	11%	0.105	27%	0.274	C	S	.	.	H	α-helix	trans	-76.7	-37.4	177.7	-54	0	0	0	0	112.1	H285 G289 E326 W327 S328 A332	H285-S330 PolarHBondContact ND1-OG 3.25Å; H285-S330 WeakPolarHBondContact O-CB 3.36Å; G289-S330 WeakPolarHBondContact CA-O 3.47Å; E326-S330 PolarHBondContact O-N 3.45Å; E326-S330 PolarHBondContact O-OG 3.44Å; W327-S330 WeakPolarHBondContact O-CB 3.17Å; W327-S330 PolarHBondContact O-N 2.93Å; S328-S330 PolarHBondContact O-N 3.13Å; S330-A332 VanDerWaalsContact C-N 3.29Å; S330-A332 PolarHBondContact O-N 3.08Å
331	L	93.9	Very high	88	Confident	1 Å²	1	45 Å²	45	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-75.3	-23.1	178.4	-80.9	74.3	0	0	0	112.5	L288 V305 W327 S328 Y397 W409	L288-L331 HydrophobicContact CD2-CD1 3.97Å; L288-L331 HydrophobicContact CD2-CG 3.78Å; V305-L331 HydrophobicContact CG1-CB 4.21Å; V305-L331 HydrophobicContact CG1-CD2 3.71Å; V305-L331 HydrophobicContact CG2-CB 4.17Å; W327-L331 HydrophobicContact CD2-CD1 4.08Å; W327-L331 HydrophobicContact CG-CD1 4.25Å; W327-L331 HydrophobicContact CH2-CD2 3.7Å; W327-L331 HydrophobicContact CZ2-CD1 4.09Å; W327-L331 HydrophobicContact CZ2-CD2 3.36Å; W327-L331 HydrophobicContact CZ2-CG 4.4Å; W327-L331 HydrophobicContact CZ3-CD2 4.44Å; W327-L331 WeakPolarHBondContact O-CD1 3.23Å; W327-L331 PolarHBondContact O-N 3.18Å; S328-L331 PolarHBondContact O-N 3.25Å; L331-Y397 HydrophobicContact CD2-CD1 3.96Å; L331-Y397 HydrophobicContact CD2-CG 4.33Å; L331-W409 HydrophobicContact CB-CH2 4.39Å; L331-W409 HydrophobicContact CB-CZ2 4.3Å; L331-W409 HydrophobicContact CD2-CH2 4.26Å; L331-W409 HydrophobicContact CG-CH2 4.25Å; L331-W409 VanDerWaalsContact O-CZ2 3.25Å; L331-W409 WeakPolarHBondContact O-CZ2 3.21Å
332	A	89.4	Confident	88.2	Confident	10 Å²	10	42 Å²	42	8%	0.083	23%	0.234	C	C	.	.	H	α-helix	trans	-133.9	-1.9	-158.6	0	0	0	0	0	114.3	V305 S328 S330 A336	V305-A332 HydrophobicContact CG2-CB 3.35Å; S328-A332 WeakPolarHBondContact O-CB 3.37Å; S328-A332 PolarHBondContact O-N 3.05Å; S330-A332 VanDerWaalsContact C-N 3.29Å; S330-A332 PolarHBondContact O-N 3.08Å; A332-A336 HydrophobicContact CB-CB 2.98Å
333	G	82.1	Confident	88.3	Confident	39 Å²	39	41.9 Å²	41.9	40%	0.402	23%	0.234	S	C	.	.			trans	69.3	-165.9	-174.8	0	0	0	0	0	112.7	S329 G335	S329-G333 CarbonylContact O-C 3.34Å; S329-G333 WeakPolarHBondContact O-CA 3.19Å; S329-G333 PolarHBondContact O-N 2.96Å; G333-G335 PolarHBondContact O-N 3.44Å; G333-G335 VanDerWaalsContact O-N 3.08Å
334	K	67.3	Low	88.4	Confident	218 Å²	218	41.9 Å²	41.9	95%	0.948	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	104.8	175	-68.2	-176.5	-179.2	178.1	0	109.3
335	G	56.9	Low	88.5	Confident	44 Å²	44	39.7 Å²	39.7	45%	0.454	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	104.1	31.3	163.6	0	0	0	0	0	117.3	G333 R337	G333-G335 PolarHBondContact O-N 3.44Å; G333-G335 VanDerWaalsContact O-N 3.08Å; G335-R337 PolarHBondContact O-N 2.94Å
336	A	57.8	Low	88.7	Confident	23 Å²	23	38 Å²	38	19%	0.19	21%	0.21	C	C	.	.			trans	-73.3	113.8	170.6	0	0	0	0	0	112.6	A332	A332-A336 HydrophobicContact CB-CB 2.98Å
337	R	70.8	Confident	88.8	Confident	224 Å²	224	40.1 Å²	40.1	85%	0.845	22%	0.22	S	C	*	.			trans	-101	99	175.4	-59.1	-178.2	-170.7	-177	2.3	106.7	G335	G335-R337 PolarHBondContact O-N 2.94Å
338	G	89.5	Confident	88.9	Confident	31 Å²	31	41.3 Å²	41.3	32%	0.32	23%	0.226	S	C	.	.			trans	136.8	100.4	178	0	0	0	0	0	111.4	P304 V305	P304-G338 CarbonylContact C-O 3.45Å; P304-G338 WeakPolarHBondContact CA-O 3.45Å; P304-G338 VanDerWaalsContact CB-O 3.23Å; P304-G338 WeakPolarHBondContact CB-O 3.39Å; V305-G338 PolarHBondContact N-O 3.18Å
339	L	95.7	Very high	89	Confident	16 Å²	16	41 Å²	41	8%	0.084	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.4	171	-57.8	179.7	0	0	0	107.1	V305 F323 T324 M341 F378	V305-L339 HydrophobicContact CB-CD2 3.78Å; V305-L339 HydrophobicContact CG1-CD2 4.49Å; V305-L339 HydrophobicContact CG2-CD2 4.07Å; F323-L339 HydrophobicContact CD1-CD1 3.87Å; F323-L339 HydrophobicContact CE1-CB 4.27Å; F323-L339 HydrophobicContact CE1-CD1 3.37Å; F323-L339 HydrophobicContact CE1-CG 4.45Å; F323-L339 HydrophobicContact CE2-CD1 4.28Å; F323-L339 HydrophobicContact CG-CD1 4.5Å; F323-L339 HydrophobicContact CZ-CB 4.07Å; F323-L339 HydrophobicContact CZ-CD1 3.6Å; F323-L339 HydrophobicContact CZ-CG 4.44Å; T324-L339 HydrophobicContact CG2-CD1 4.02Å; L339-M341 HydrophobicContact CB-CE 4.15Å; L339-F378 HydrophobicContact CB-CD1 3.86Å; L339-F378 HydrophobicContact CB-CE1 4.25Å; L339-F378 HydrophobicContact CD1-CE1 4.45Å
340	R	97.3	Very high	89.2	Confident	56 Å²	56	40.7 Å²	40.7	21%	0.211	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	100.7	179.1	-51.7	-170.6	-178.3	-175.6	4.5	109.3	P304 V305 I306 G307 Y380 P483	P304-R340 HydrophobicContact CB-CG 4.19Å; V305-R340 PolarHBondContact O-N 3.36Å; I306-R340 WeakPolarHBondContact CA-O 3.44Å; I306-R340 HydrophobicContact CD1-CB 3.65Å; I306-R340 HydrophobicContact CD1-CG 3.97Å; G307-R340 PolarHBondContact N-O 3.49Å; G307-R340 VanDerWaalsContact N-O 3.1Å; R340-Y380 VanDerWaalsContact CA-CE2 3.49Å; R340-Y380 HydrophobicContact CB-CD1 4.38Å; R340-Y380 HydrophobicContact CB-CD2 3.57Å; R340-Y380 HydrophobicContact CB-CE1 4.25Å; R340-Y380 HydrophobicContact CB-CE2 3.43Å; R340-Y380 VanDerWaalsContact CB-CE2 3.43Å; R340-Y380 HydrophobicContact CB-CG 4.08Å; R340-Y380 HydrophobicContact CG-CD2 4.22Å; R340-Y380 HydrophobicContact CG-CE1 4.11Å; R340-Y380 HydrophobicContact CG-CE2 3.57Å; R340-Y380 VanDerWaalsContact CG-CZ 3.5Å; R340-P483 HydrophobicContact CB-CG 4.1Å
341	M	98.2	Very high	89.3	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	108.3	-172.9	-61.4	-60.8	108.4	0	0	109.5	V305 G307 F309 F323 W327 L339 Y343 F378 F379 Y380 L417	V305-M341 HydrophobicContact CG1-CE 4.3Å; G307-M341 CarbonylContact O-C 3.56Å; G307-M341 VanDerWaalsContact O-CA 3.32Å; G307-M341 WeakPolarHBondContact O-CA 3.4Å; F309-M341 HydrophobicContact CE1-CB 4.14Å; F309-M341 HydrophobicContact CE1-CG 4.3Å; F309-M341 HydrophobicContact CE1-SD 3.68Å; F309-M341 HydrophobicContact CZ-CB 3.88Å; F309-M341 HydrophobicContact CZ-CG 4.28Å; F309-M341 HydrophobicContact CZ-SD 4.23Å; F323-M341 HydrophobicContact CE2-CG 4.05Å; F323-M341 HydrophobicContact CE2-SD 4.01Å; F323-M341 HydrophobicContact CZ-CG 3.68Å; F323-M341 HydrophobicContact CZ-SD 4.12Å; W327-M341 HydrophobicContact CH2-CE 4.07Å; W327-M341 HydrophobicContact CH2-SD 3.93Å; W327-M341 HydrophobicContact CZ3-CE 4.27Å; W327-M341 HydrophobicContact CZ3-SD 4.26Å; L339-M341 HydrophobicContact CB-CE 4.15Å; M341-Y343 PolarHBondContact O-N 3.12Å; M341-F378 HydrophobicContact CG-CB 4.38Å; M341-F378 PolarHBondContact N-O 2.85Å; M341-F379 HydrophobicContact CB-CD1 4.2Å; M341-F379 CarbonylContact O-C 3.35Å; M341-F379 WeakPolarHBondContact O-CA 3.39Å; M341-Y380 PolarHBondContact O-N 3.2Å; M341-L417 HydrophobicContact SD-CD2 4.49Å
342	I	98.7	Very high	89.5	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	115.3	177	-60.6	171.9	0	0	0	108.3	I306 G307 Q308 Y380 W382 Y479 P483	I306-I342 HydrophobicContact CG2-CD1 3.79Å; I306-I342 HydrophobicContact CG2-CG1 4.25Å; G307-I342 PolarHBondContact O-N 3.25Å; Q308-I342 HydrophobicContact CB-CB 4Å; Q308-I342 HydrophobicContact CB-CG2 4.47Å; Q308-I342 HydrophobicContact CG-CB 4.04Å; Q308-I342 HydrophobicContact CG-CG2 3.97Å; I342-Y380 WeakPolarHBondContact CA-O 3.4Å; I342-W382 HydrophobicContact CG2-CE3 4.01Å; I342-Y479 HydrophobicContact CD1-CD1 4Å; I342-Y479 HydrophobicContact CD1-CD2 3.32Å; I342-Y479 HydrophobicContact CD1-CE1 4.16Å; I342-Y479 HydrophobicContact CD1-CE2 3.51Å; I342-Y479 HydrophobicContact CD1-CG 3.58Å; I342-P483 HydrophobicContact CD1-CB 3.89Å; I342-P483 HydrophobicContact CD1-CG 4.47Å; I342-P483 HydrophobicContact CG1-CB 3.91Å; I342-P483 HydrophobicContact CG1-CG 4.45Å
343	Y	98.5	Very high	89.6	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.228	C	C	.	.			trans	-142.5	142.2	176	-170.6	-102.6	0	0	0	108.7	F309 I312 M341 L362 Y364 F379 Y380 Y486 P492 W493	F309-Y343 HydrophobicContact CD2-CD2 4.12Å; F309-Y343 AromaticContact CE2-CD2 3.96Å; F309-Y343 HydrophobicContact CE2-CD2 3.96Å; I312-Y343 HydrophobicContact CD1-CD1 4.25Å; I312-Y343 HydrophobicContact CD1-CD2 3.88Å; I312-Y343 HydrophobicContact CD1-CE1 4.28Å; I312-Y343 HydrophobicContact CD1-CE2 3.92Å; I312-Y343 HydrophobicContact CD1-CG 4.05Å; I312-Y343 HydrophobicContact CG1-CD2 4.3Å; I312-Y343 HydrophobicContact CG1-CE2 4.17Å; M341-Y343 PolarHBondContact O-N 3.12Å; Y343-L362 PolarHBondContact OH-O 3.47Å; Y343-Y364 HydrophobicContact CE1-CD1 4.07Å; Y343-Y364 WeakPolarHBondContact OH-CB 3.17Å; Y343-F379 HydrophobicContact CD1-CZ 4.49Å; Y343-F379 HydrophobicContact CG-CE1 4.42Å; Y343-Y380 PolarHBondContact N-O 2.8Å; Y343-Y380 VanDerWaalsContact O-O 3.11Å; Y343-Y486 PolarHBondContact O-OH 2.69Å; Y343-P492 HydrophobicContact CD1-CB 4.21Å; Y343-P492 HydrophobicContact CE1-CB 4.38Å; Y343-W493 HydrophobicContact CE1-CB 4.22Å; Y343-W493 WeakPolarHBondContact CE1-O 3.48Å; Y343-W493 PolarHBondContact OH-O 3.47Å
344	P	98.1	Very high	90.2	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	22%	0.215	C	C	.	.			trans	-65.1	137.4	-177.4	-26.8	38.5	0	0	0	113.3	D348 V349 L362 W382 P392 Y486 W493	P344-D348 HydrophobicContact CB-CB 4.06Å; P344-V349 HydrophobicContact CB-CG2 3.89Å; P344-L362 HydrophobicContact CB-CD1 3.9Å; P344-L362 HydrophobicContact CG-CD1 3.68Å; P344-L362 HydrophobicContact CG-CD2 3.92Å; P344-L362 HydrophobicContact CG-CG 4.46Å; P344-W382 HydrophobicContact CB-CB 4.44Å; P344-W382 HydrophobicContact CG-CB 4.2Å; P344-P392 HydrophobicContact CG-CG 3.35Å; P344-Y486 PolarHBondContact O-OH 2.88Å; P344-Y486 VanDerWaalsContact O-OH 3.13Å; P344-W493 WeakPolarHBondContact O-CB 2.99Å; P344-W493 PolarHBondContact O-N 3.09Å
345	S	97.8	Very high	91.6	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.007	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-78.1	169.1	165.9	79.2	0	0	0	0	111.2	E347 D348 V349 R381 Y486 E491	S345-E347 PolarHBondContact O-N 2.89Å; S345-E347 PolarHBondContact OG-N 3.36Å; S345-D348 PolarHBondContact N-OD2 2.88Å; S345-D348 PolarHBondContact O-N 3.18Å; S345-D348 VanDerWaalsContact OG-CG 3.27Å; S345-D348 PolarHBondContact OG-N 2.96Å; S345-D348 VanDerWaalsContact OG-N 3.11Å; S345-D348 PolarHBondContact OG-OD2 3.11Å; S345-V349 PolarHBondContact O-N 3.01Å; S345-V349 VanDerWaalsContact O-N 3.11Å; S345-R381 VanDerWaalsContact OG-CZ 3.31Å; S345-R381 PolarHBondContact OG-NE 2.92Å; S345-R381 VanDerWaalsContact OG-NE 3.17Å; S345-R381 PolarHBondContact OG-NH2 2.89Å; S345-Y486 WeakPolarHBondContact CA-OH 3.31Å; S345-Y486 PolarHBondContact N-OH 3.32Å; S345-Y486 VanDerWaalsContact N-OH 3.15Å; S345-E491 CarbonylContact C-O 3.44Å; S345-E491 WeakPolarHBondContact CA-O 3.43Å; S345-E491 VanDerWaalsContact CB-O 3.28Å; S345-E491 WeakPolarHBondContact CB-O 3.14Å
346	V	97.7	Very high	93.4	Very high	18 Å²	18	31.2 Å²	31.2	11%	0.109	15%	0.149	C	C	.	.	H	α-helix	trans	-54.9	-40.8	170.7	177.1	0	0	0	0	111	V349 R350 Y356 E491 H499	V346-V349 PolarHBondContact O-N 3.46Å; V346-R350 WeakPolarHBondContact O-CB 3.4Å; V346-R350 PolarHBondContact O-N 2.92Å; V346-Y356 HydrophobicContact CG1-CE1 4.43Å; V346-E491 HydrophobicContact CG2-CB 3.83Å; V346-E491 PolarHBondContact N-O 3.46Å; V346-H499 WeakPolarHBondContact CG2-CE1 3.45Å
347	E	97	Very high	95.1	Very high	73 Å²	73	33.8 Å²	33.8	34%	0.341	16%	0.156	S	C	.	.	H	α-helix	trans	-71.5	-34	-179.5	-167.1	63.4	-168.9	0	0	112.2	S345 V349 R350 N351	S345-E347 PolarHBondContact O-N 2.89Å; S345-E347 PolarHBondContact OG-N 3.36Å; E347-V349 VanDerWaalsContact C-N 3.35Å; E347-R350 IonicContact OE1-NH1 3.77Å; E347-R350 PolarHBondContact OE1-NH1 3.31Å; E347-R350 WeakPolarHBondContact OE2-CD 3.2Å; E347-R350 IonicContact OE2-CZ 3.95Å; E347-R350 IonicContact OE2-NH1 3.79Å; E347-R350 PolarHBondContact OE2-NH1 3.45Å; E347-N351 WeakPolarHBondContact CG-ND2 3.34Å; E347-N351 WeakPolarHBondContact O-CB 3.44Å; E347-N351 PolarHBondContact O-N 3.06Å; E347-N351 VanDerWaalsContact O-N 3.11Å; E347-N351 PolarHBondContact O-ND2 2.7Å; E347-N351 PolarHBondContact OE1-ND2 2.87Å
348	D	97.3	Very high	96.2	Very high	26 Å²	26	23.1 Å²	23.1	14%	0.139	12%	0.116	C	C	.	.	H	α-helix	trans	-62.9	-43	173.9	-61.1	-26.5	0	0	0	110.7	P344 S345 S352 R381 W382	P344-D348 HydrophobicContact CB-CB 4.06Å; S345-D348 PolarHBondContact N-OD2 2.88Å; S345-D348 PolarHBondContact O-N 3.18Å; S345-D348 VanDerWaalsContact OG-CG 3.27Å; S345-D348 PolarHBondContact OG-N 2.96Å; S345-D348 VanDerWaalsContact OG-N 3.11Å; S345-D348 PolarHBondContact OG-OD2 3.11Å; D348-S352 PolarHBondContact O-N 2.95Å; D348-R381 IonicContact OD1-CZ 3.63Å; D348-R381 VanDerWaalsContact OD1-CZ 3.3Å; D348-R381 IonicContact OD1-NE 3.81Å; D348-R381 PolarHBondContact OD1-NE 2.54Å; D348-R381 IonicContact OD1-NH2 2.87Å; D348-R381 PolarHBondContact OD1-NH2 3.35Å; D348-R381 IonicContact OD2-NE 3.94Å; D348-R381 PolarHBondContact OD2-NE 3.49Å; D348-R381 VanDerWaalsContact OD2-NE 3.07Å; D348-W382 HydrophobicContact CB-CB 4.49Å; D348-W382 PolarHBondContact OD2-N 3.48Å
349	V	97.7	Very high	96.4	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.012	10%	0.101	C	C	.	.	H	α-helix	trans	-70	-49	177.9	176.4	0	0	0	0	111.1	P344 S345 V346 E347 N351 S352 G355 Y356 A358 L362 W493	P344-V349 HydrophobicContact CB-CG2 3.89Å; S345-V349 PolarHBondContact O-N 3.01Å; S345-V349 VanDerWaalsContact O-N 3.11Å; V346-V349 PolarHBondContact O-N 3.46Å; E347-V349 VanDerWaalsContact C-N 3.35Å; V349-N351 PolarHBondContact O-N 2.92Å; V349-S352 WeakPolarHBondContact O-CB 3.43Å; V349-S352 PolarHBondContact O-N 3.44Å; V349-S352 PolarHBondContact O-OG 3.3Å; V349-G355 CarbonylContact O-C 3.55Å; V349-G355 VanDerWaalsContact O-C 3.31Å; V349-Y356 HydrophobicContact CG1-CD1 4.26Å; V349-A358 HydrophobicContact CG1-CB 4.32Å; V349-L362 HydrophobicContact CG2-CD1 3.52Å; V349-W493 HydrophobicContact CB-CD2 4.14Å; V349-W493 HydrophobicContact CB-CE3 3.82Å; V349-W493 HydrophobicContact CB-CZ3 4.24Å; V349-W493 HydrophobicContact CG1-CD2 4.02Å; V349-W493 HydrophobicContact CG1-CE3 3.8Å; V349-W493 HydrophobicContact CG1-CH2 4.07Å; V349-W493 HydrophobicContact CG1-CZ2 4.31Å; V349-W493 HydrophobicContact CG1-CZ3 3.82Å; V349-W493 HydrophobicContact CG2-CB 3.86Å; V349-W493 HydrophobicContact CG2-CD2 3.81Å; V349-W493 HydrophobicContact CG2-CE3 3.96Å; V349-W493 HydrophobicContact CG2-CG 3.76Å
350	R	97.3	Very high	96.2	Very high	55 Å²	55	21.7 Å²	21.7	21%	0.208	11%	0.105	C	C	.	.	H	α-helix	trans	-55.7	-35.9	-179.2	-175.9	-177.3	167.9	-129.8	-6.8	112.9	V346 E347 Y356 P502 D503 I504	V346-R350 WeakPolarHBondContact O-CB 3.4Å; V346-R350 PolarHBondContact O-N 2.92Å; E347-R350 IonicContact OE1-NH1 3.77Å; E347-R350 PolarHBondContact OE1-NH1 3.31Å; E347-R350 WeakPolarHBondContact OE2-CD 3.2Å; E347-R350 IonicContact OE2-CZ 3.95Å; E347-R350 IonicContact OE2-NH1 3.79Å; E347-R350 PolarHBondContact OE2-NH1 3.45Å; R350-Y356 HydrophobicContact CB-CD1 4.45Å; R350-Y356 HydrophobicContact CB-CE1 3.77Å; R350-Y356 HydrophobicContact CG-CE1 4.07Å; R350-Y356 HydrophobicContact CG-CE2 4.46Å; R350-P502 VanDerWaalsContact CZ-O 3.28Å; R350-P502 PolarHBondContact NE-O 3.05Å; R350-P502 PolarHBondContact NH2-O 3.28Å; R350-D503 HydrophobicContact CG-CB 3.98Å; R350-D503 WeakPolarHBondContact O-CB 3.49Å; R350-I504 PolarHBondContact O-N 3.35Å
351	N	96.6	Very high	96	Very high	58 Å²	58	19.3 Å²	19.3	31%	0.31	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	4.4	179.2	-63.9	-61.1	0	0	0	114.9	E347 V349 R389 I504	E347-N351 WeakPolarHBondContact CG-ND2 3.34Å; E347-N351 WeakPolarHBondContact O-CB 3.44Å; E347-N351 PolarHBondContact O-N 3.06Å; E347-N351 VanDerWaalsContact O-N 3.11Å; E347-N351 PolarHBondContact O-ND2 2.7Å; E347-N351 PolarHBondContact OE1-ND2 2.87Å; V349-N351 PolarHBondContact O-N 2.92Å; N351-R389 PolarHBondContact O-NE 2.86Å; N351-I504 HydrophobicContact CB-CG2 4.42Å
352	S	96.9	Very high	95.9	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.007	10%	0.097	C	C	.	.	S	Bend	trans	-65.8	167.9	178.7	77.6	0	0	0	0	112.4	D348 V349 E354 G355 A358 R389 I504	D348-S352 PolarHBondContact O-N 2.95Å; V349-S352 WeakPolarHBondContact O-CB 3.43Å; V349-S352 PolarHBondContact O-N 3.44Å; V349-S352 PolarHBondContact O-OG 3.3Å; S352-E354 PolarHBondContact O-N 2.9Å; S352-E354 VanDerWaalsContact O-N 3.12Å; S352-E354 PolarHBondContact OG-N 3.07Å; S352-G355 PolarHBondContact O-N 3.35Å; S352-G355 VanDerWaalsContact O-N 3.1Å; S352-G355 PolarHBondContact OG-N 2.86Å; S352-G355 VanDerWaalsContact OG-N 3.14Å; S352-G355 PolarHBondContact OG-O 3.41Å; S352-A358 WeakPolarHBondContact OG-CB 3.48Å; S352-R389 CarbonylContact C-O 3.59Å; S352-R389 VanDerWaalsContact CA-O 3.23Å; S352-R389 WeakPolarHBondContact CA-O 3.33Å; S352-R389 WeakPolarHBondContact CB-O 3.4Å; S352-I504 WeakPolarHBondContact O-CD1 3.48Å
353	L	93.2	Very high	95.7	Very high	36 Å²	36	20.8 Å²	20.8	19%	0.188	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-16.1	177	-65.9	175.2	0	0	0	114.2	V75 V78 R194 R389 A390	V75-L353 HydrophobicContact CG1-CD1 3.86Å; V78-L353 HydrophobicContact CG2-CD1 4.17Å; R194-L353 HydrophobicContact CB-CB 4.21Å; R194-L353 HydrophobicContact CB-CD1 4.5Å; R194-L353 HydrophobicContact CG-CB 4.39Å; R194-L353 PolarHBondContact NH1-O 3.09Å; L353-R389 HydrophobicContact CD2-CB 4.04Å; L353-R389 HydrophobicContact CG-CB 3.89Å; L353-R389 WeakPolarHBondContact CG-O 3.5Å; L353-R389 PolarHBondContact N-O 3.3Å; L353-A390 HydrophobicContact CD1-CB 4.12Å
354	E	94.2	Very high	95.7	Very high	28 Å²	28	21 Å²	21	13%	0.131	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	1.9	178.5	-62.2	169.4	77.5	0	0	112.1	R194 R195 S352 F357 A358	R194-E354 HydrophobicContact CB-CG 3.85Å; R194-E354 HydrophobicContact CG-CG 4.49Å; R195-E354 VanDerWaalsContact CG-OE2 3.23Å; R195-E354 WeakPolarHBondContact CG-OE2 3.49Å; R195-E354 IonicContact CZ-OE1 2.68Å; R195-E354 IonicContact NE-OE1 3.32Å; R195-E354 PolarHBondContact NE-OE1 3.21Å; R195-E354 IonicContact NE-OE2 3.07Å; R195-E354 PolarHBondContact NE-OE2 2.8Å; R195-E354 IonicContact NH2-OE1 3.07Å; R195-E354 PolarHBondContact NH2-OE1 3.16Å; S352-E354 PolarHBondContact O-N 2.9Å; S352-E354 VanDerWaalsContact O-N 3.12Å; S352-E354 PolarHBondContact OG-N 3.07Å; E354-F357 HydrophobicContact CB-CB 4.36Å; E354-F357 PolarHBondContact O-N 3.42Å; E354-A358 HydrophobicContact CB-CB 3.93Å
355	G	95.7	Very high	95.6	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	55.8	-139.4	-171.4	0	0	0	0	0	110.7	V349 S352 F357 A358 D503	V349-G355 CarbonylContact O-C 3.55Å; V349-G355 VanDerWaalsContact O-C 3.31Å; S352-G355 PolarHBondContact O-N 3.35Å; S352-G355 VanDerWaalsContact O-N 3.1Å; S352-G355 PolarHBondContact OG-N 2.86Å; S352-G355 VanDerWaalsContact OG-N 3.14Å; S352-G355 PolarHBondContact OG-O 3.41Å; G355-F357 PolarHBondContact O-N 3.27Å; G355-F357 VanDerWaalsContact O-N 3.14Å; G355-A358 WeakPolarHBondContact O-CB 3.25Å; G355-A358 PolarHBondContact O-N 3.14Å; G355-D503 WeakPolarHBondContact CA-OD2 3.34Å
356	Y	95.8	Very high	95.5	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.016	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-63.9	-20	179.6	-72.7	-51.6	0	0	0	114.9	V346 V349 R350 A358 G359 W493 H499 L501 D503 R507 W509	V346-Y356 HydrophobicContact CG1-CE1 4.43Å; V349-Y356 HydrophobicContact CG1-CD1 4.26Å; R350-Y356 HydrophobicContact CB-CD1 4.45Å; R350-Y356 HydrophobicContact CB-CE1 3.77Å; R350-Y356 HydrophobicContact CG-CE1 4.07Å; R350-Y356 HydrophobicContact CG-CE2 4.46Å; Y356-A358 VanDerWaalsContact C-N 3.26Å; Y356-A358 PolarHBondContact O-N 3.44Å; Y356-G359 WeakPolarHBondContact O-CA 3.25Å; Y356-G359 PolarHBondContact O-N 3.41Å; Y356-W493 AromaticContact CD1-CH2 3.75Å; Y356-W493 HydrophobicContact CD1-CH2 3.75Å; Y356-W493 AromaticContact CD1-CZ3 3.54Å; Y356-W493 HydrophobicContact CD1-CZ3 3.54Å; Y356-W493 HydrophobicContact CE1-CH2 4.45Å; Y356-W493 AromaticContact CE1-CZ3 3.86Å; Y356-W493 HydrophobicContact CE1-CZ3 3.86Å; Y356-W493 HydrophobicContact CG-CH2 4.49Å; Y356-H499 HydrophobicContact CE1-CB 4.18Å; Y356-L501 WeakPolarHBondContact CE2-O 3.24Å; Y356-L501 PolarHBondContact OH-O 3.07Å; Y356-D503 HydrophobicContact CD2-CB 3.64Å; Y356-D503 HydrophobicContact CE2-CB 3.84Å; Y356-D503 HydrophobicContact CG-CB 4.14Å; Y356-D503 PolarHBondContact N-OD2 2.76Å; Y356-R507 WeakPolarHBondContact CD2-O 3.29Å; Y356-R507 VanDerWaalsContact CE2-O 3.32Å; Y356-R507 WeakPolarHBondContact CE2-O 3.3Å; Y356-W509 HydrophobicContact CD1-CB 4.02Å; Y356-W509 HydrophobicContact CD2-CB 3.74Å; Y356-W509 HydrophobicContact CE1-CB 4.33Å; Y356-W509 HydrophobicContact CE2-CB 4.06Å; Y356-W509 HydrophobicContact CG-CB 3.72Å; Y356-W509 HydrophobicContact CG-CE3 4.43Å; Y356-W509 HydrophobicContact CG-CG 4.41Å
357	F	92.9	Very high	95.4	Very high	77 Å²	77	31.3 Å²	31.3	34%	0.338	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-68.1	-23.7	177.8	-68.3	-34.8	0	0	0	113.7	Y27 E354 G355 G359 G360 R507 W509	Y27-F357 HydrophobicContact CD1-CD1 4.39Å; Y27-F357 HydrophobicContact CD1-CE1 4.41Å; Y27-F357 HydrophobicContact CG-CD1 4.35Å; E354-F357 HydrophobicContact CB-CB 4.36Å; E354-F357 PolarHBondContact O-N 3.42Å; G355-F357 PolarHBondContact O-N 3.27Å; G355-F357 VanDerWaalsContact O-N 3.14Å; F357-G359 PolarHBondContact O-N 3.16Å; F357-G359 VanDerWaalsContact O-N 3.16Å; F357-G360 PolarHBondContact O-N 3.27Å; F357-G360 VanDerWaalsContact O-N 3.07Å; F357-R507 VanDerWaalsContact CD2-NH1 3.32Å; F357-W509 HydrophobicContact CD1-CZ3 4.04Å; F357-W509 HydrophobicContact CE1-CZ3 4.44Å
358	A	94.1	Very high	95.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-55.9	-30.9	168.1	0	0	0	0	0	111.9	V349 S352 E354 G355 Y356 G360 C361 A391	V349-A358 HydrophobicContact CG1-CB 4.32Å; S352-A358 WeakPolarHBondContact OG-CB 3.48Å; E354-A358 HydrophobicContact CB-CB 3.93Å; G355-A358 WeakPolarHBondContact O-CB 3.25Å; G355-A358 PolarHBondContact O-N 3.14Å; Y356-A358 VanDerWaalsContact C-N 3.26Å; Y356-A358 PolarHBondContact O-N 3.44Å; A358-G360 PolarHBondContact O-N 2.69Å; A358-G360 VanDerWaalsContact O-N 3.09Å; A358-C361 PolarHBondContact O-N 2.63Å; A358-C361 VanDerWaalsContact O-N 3.15Å; A358-C361 PolarHBondContact O-SG 3.05Å; A358-A391 HydrophobicContact CB-CB 3.56Å
359	G	94.7	Very high	95.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-57.2	-23.9	178.2	0	0	0	0	0	114.2	Y356 F357 C361 L362 W493 L495	Y356-G359 WeakPolarHBondContact O-CA 3.25Å; Y356-G359 PolarHBondContact O-N 3.41Å; F357-G359 PolarHBondContact O-N 3.16Å; F357-G359 VanDerWaalsContact O-N 3.16Å; G359-C361 VanDerWaalsContact C-N 3.25Å; G359-C361 PolarHBondContact O-N 3.28Å; G359-L362 PolarHBondContact O-N 3.26Å; G359-W493 VanDerWaalsContact CA-CZ2 3.45Å; G359-W493 VanDerWaalsContact CA-NE1 3.27Å; G359-W493 PolarHBondContact O-NE1 2.81Å; G359-W493 VanDerWaalsContact O-NE1 3.11Å; G359-L495 WeakPolarHBondContact O-CD1 3.45Å
360	G	90.8	Very high	95.4	Very high	17 Å²	17	34.5 Å²	34.5	18%	0.175	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-62.1	-28.3	177.5	0	0	0	0	0	114.3	F357 A358 L362	F357-G360 PolarHBondContact O-N 3.27Å; F357-G360 VanDerWaalsContact O-N 3.07Å; A358-G360 PolarHBondContact O-N 2.69Å; A358-G360 VanDerWaalsContact O-N 3.09Å; G360-L362 VanDerWaalsContact C-N 3.29Å
361	C	92.8	Very high	95.4	Very high	6 Å²	6	37.1 Å²	37.1	4%	0.041	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-89.6	4.8	176	82.4	0	0	0	0	113.2	S310 A358 G359 P363 H393	S310-C361 WeakPolarHBondContact CB-O 3.49Å; S310-C361 PolarHBondContact OG-O 3.24Å; A358-C361 PolarHBondContact O-N 2.63Å; A358-C361 VanDerWaalsContact O-N 3.15Å; A358-C361 PolarHBondContact O-SG 3.05Å; G359-C361 VanDerWaalsContact C-N 3.25Å; G359-C361 PolarHBondContact O-N 3.28Å; C361-P363 VanDerWaalsContact O-CD 3.27Å; C361-P363 WeakPolarHBondContact O-CD 3.41Å; C361-H393 HydrophobicContact CB-CB 4.46Å; C361-H393 PolarHBondContact O-CD2 3.12Å
362	L	96.3	Very high	95.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.179	C	C	.	.			trans	-116.7	64.1	-176.9	-59.3	170.7	0	0	0	112.8	S310 Y343 P344 V349 G359 G360 Y364 P392 W493	S310-L362 CarbonylContact O-C 3.46Å; S310-L362 WeakPolarHBondContact O-CA 3.27Å; Y343-L362 PolarHBondContact OH-O 3.47Å; P344-L362 HydrophobicContact CB-CD1 3.9Å; P344-L362 HydrophobicContact CG-CD1 3.68Å; P344-L362 HydrophobicContact CG-CD2 3.92Å; P344-L362 HydrophobicContact CG-CG 4.46Å; V349-L362 HydrophobicContact CG2-CD1 3.52Å; G359-L362 PolarHBondContact O-N 3.26Å; G360-L362 VanDerWaalsContact C-N 3.29Å; L362-Y364 PolarHBondContact O-N 3.11Å; L362-P392 HydrophobicContact CD2-CG 4.4Å; L362-W493 HydrophobicContact CD1-CG 4.43Å
363	P	95	Very high	95.4	Very high	34 Å²	34	38.9 Å²	38.9	22%	0.221	21%	0.208	C	C	.	.			trans	-68.1	106.3	-176.7	-14.4	27.4	0	0	0	112.8	S310 S311 I312 C361 L495	S310-P363 WeakPolarHBondContact O-CD 3.23Å; S311-P363 VanDerWaalsContact CA-O 3.22Å; S311-P363 WeakPolarHBondContact CA-O 3.49Å; S311-P363 WeakPolarHBondContact CB-O 3.35Å; S311-P363 PolarHBondContact OG-O 2.91Å; I312-P363 PolarHBondContact N-O 3.12Å; C361-P363 VanDerWaalsContact O-CD 3.27Å; C361-P363 WeakPolarHBondContact O-CD 3.41Å; P363-L495 HydrophobicContact CB-CD2 4.49Å
364	Y	97.3	Very high	95.6	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.016	21%	0.205	C	C	.	.			trans	-145.4	110.1	162	-177.3	-151.1	0	0	0	107.4	I312 Y343 L362 T368 A369 F379 I494 L495	I312-Y364 HydrophobicContact CB-CD2 3.66Å; I312-Y364 HydrophobicContact CB-CE2 3.99Å; I312-Y364 HydrophobicContact CB-CG 3.97Å; I312-Y364 HydrophobicContact CD1-CD1 3.73Å; I312-Y364 HydrophobicContact CD1-CD2 4.35Å; I312-Y364 HydrophobicContact CD1-CE1 3.86Å; I312-Y364 HydrophobicContact CD1-CE2 4.47Å; I312-Y364 HydrophobicContact CD1-CG 3.98Å; I312-Y364 HydrophobicContact CG1-CG 4.42Å; I312-Y364 HydrophobicContact CG2-CD2 3.95Å; I312-Y364 HydrophobicContact CG2-CE2 3.74Å; Y343-Y364 HydrophobicContact CE1-CD1 4.07Å; Y343-Y364 WeakPolarHBondContact OH-CB 3.17Å; L362-Y364 PolarHBondContact O-N 3.11Å; Y364-T368 HydrophobicContact CD2-CG2 4.17Å; Y364-T368 HydrophobicContact CE2-CG2 4.01Å; Y364-A369 HydrophobicContact CD2-CB 4.39Å; Y364-A369 HydrophobicContact CE1-CB 3.93Å; Y364-A369 HydrophobicContact CE2-CB 3.68Å; Y364-A369 VanDerWaalsContact CZ-CB 3.42Å; Y364-A369 VanDerWaalsContact OH-CA 3.31Å; Y364-A369 WeakPolarHBondContact OH-CA 3.44Å; Y364-F379 HydrophobicContact CE1-CE2 4.41Å; Y364-F379 HydrophobicContact CE1-CZ 4.2Å; Y364-I494 HydrophobicContact CD1-CD1 3.31Å; Y364-I494 HydrophobicContact CE1-CD1 3.53Å; Y364-I494 HydrophobicContact CG-CD1 3.99Å; Y364-I494 CarbonylContact O-C 3.53Å; Y364-I494 WeakPolarHBondContact O-CA 3.36Å; Y364-L495 PolarHBondContact O-N 2.94Å
365	T	96.1	Very high	95.7	Very high	43 Å²	43	37.3 Å²	37.3	26%	0.264	20%	0.198	S	C	.	.			trans	-91.9	156.1	-173.3	59.8	0	0	0	0	111.6	T367 T368 A369 D496	T365-T367 VanDerWaalsContact C-N 3.31Å; T365-T367 PolarHBondContact O-N 3.43Å; T365-T368 CarbonylContact O-C 3.58Å; T365-T368 WeakPolarHBondContact O-CA 3.4Å; T365-T368 WeakPolarHBondContact O-CB 3.29Å; T365-T368 PolarHBondContact O-N 3.43Å; T365-T368 PolarHBondContact OG1-N 3.28Å; T365-T368 PolarHBondContact OG1-OG1 3.07Å; T365-A369 WeakPolarHBondContact O-CB 3.39Å; T365-A369 PolarHBondContact O-N 2.9Å; T365-D496 VanDerWaalsContact CA-OD1 3.32Å; T365-D496 WeakPolarHBondContact CA-OD1 3.37Å; T365-D496 WeakPolarHBondContact CB-OD2 3.44Å
366	K	96.2	Very high	95.7	Very high	110 Å²	110	39.8 Å²	39.8	48%	0.478	22%	0.215	S	C	.	.	H	α-helix	trans	-53.9	-48.4	175.9	-177.2	177.8	173.6	-178.4	0	110.9	T368 A369 E370 I494 D496	K366-T368 PolarHBondContact O-N 2.91Å; K366-T368 VanDerWaalsContact O-N 3.17Å; K366-A369 PolarHBondContact O-N 3.26Å; K366-E370 WeakPolarHBondContact CE-OE1 3.42Å; K366-E370 HydrophobicContact CG-CG 4.28Å; K366-E370 WeakPolarHBondContact CG-OE1 3.28Å; K366-E370 WeakPolarHBondContact O-CG 3.4Å; K366-E370 PolarHBondContact O-N 2.69Å; K366-I494 HydrophobicContact CB-CG2 4.05Å; K366-D496 WeakPolarHBondContact CB-OD1 3.32Å; K366-D496 PolarHBondContact N-OD1 3.16Å; K366-D496 PolarHBondContact N-OD2 2.94Å
367	T	95.7	Very high	95.7	Very high	84 Å²	84	44.9 Å²	44.9	52%	0.515	24%	0.239	S	C	.	.	H	α-helix	trans	-57.6	-31.1	176.1	-54.2	0	0	0	0	113.4	T365 K371	T365-T367 VanDerWaalsContact C-N 3.31Å; T365-T367 PolarHBondContact O-N 3.43Å; T367-K371 WeakPolarHBondContact O-CD 3.37Å; T367-K371 VanDerWaalsContact O-CE 3.3Å; T367-K371 WeakPolarHBondContact O-CE 3.5Å; T367-K371 WeakPolarHBondContact O-CG 3.3Å
368	T	96.9	Very high	95.9	Very high	27 Å²	27	42.9 Å²	42.9	17%	0.166	23%	0.23	C	C	.	.	H	α-helix	trans	-81.9	-40.2	175.6	-54.2	0	0	0	0	110.8	Y364 T365 K366 K371	Y364-T368 HydrophobicContact CD2-CG2 4.17Å; Y364-T368 HydrophobicContact CE2-CG2 4.01Å; T365-T368 CarbonylContact O-C 3.58Å; T365-T368 WeakPolarHBondContact O-CA 3.4Å; T365-T368 WeakPolarHBondContact O-CB 3.29Å; T365-T368 PolarHBondContact O-N 3.43Å; T365-T368 PolarHBondContact OG1-N 3.28Å; T365-T368 PolarHBondContact OG1-OG1 3.07Å; K366-T368 PolarHBondContact O-N 2.91Å; K366-T368 VanDerWaalsContact O-N 3.17Å; T368-K371 PolarHBondContact O-N 2.9Å
369	A	97.6	Very high	96.1	Very high	17 Å²	17	42.9 Å²	42.9	14%	0.14	23%	0.23	C	C	.	.	H	α-helix	trans	-65.6	-41.8	-178.5	0	0	0	0	0	113.2	Y364 T365 K366 K371 Q372 I494	Y364-A369 HydrophobicContact CD2-CB 4.39Å; Y364-A369 HydrophobicContact CE1-CB 3.93Å; Y364-A369 HydrophobicContact CE2-CB 3.68Å; Y364-A369 VanDerWaalsContact CZ-CB 3.42Å; Y364-A369 VanDerWaalsContact OH-CA 3.31Å; Y364-A369 WeakPolarHBondContact OH-CA 3.44Å; T365-A369 WeakPolarHBondContact O-CB 3.39Å; T365-A369 PolarHBondContact O-N 2.9Å; K366-A369 PolarHBondContact O-N 3.26Å; A369-K371 PolarHBondContact O-N 3.11Å; A369-K371 VanDerWaalsContact O-N 3.13Å; A369-Q372 CarbonylContact O-C 3.37Å; A369-Q372 PolarHBondContact O-N 3.11Å; A369-I494 HydrophobicContact CB-CD1 3.75Å
370	E	97.2	Very high	96.3	Very high	123 Å²	123	44.3 Å²	44.3	58%	0.575	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.7	178.3	-73.1	172.1	165.4	0	0	113.3	K366 Q372	K366-E370 WeakPolarHBondContact CE-OE1 3.42Å; K366-E370 HydrophobicContact CG-CG 4.28Å; K366-E370 WeakPolarHBondContact CG-OE1 3.28Å; K366-E370 WeakPolarHBondContact O-CG 3.4Å; K366-E370 PolarHBondContact O-N 2.69Å; E370-Q372 VanDerWaalsContact C-N 3.27Å; E370-Q372 PolarHBondContact O-N 3.39Å
371	K	97.1	Very high	96.6	Very high	111 Å²	111	45.3 Å²	45.3	48%	0.483	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-13.6	176.4	-64.3	173.9	-175.9	176	0	113.3	P317 T367 T368 A369	P317-K371 WeakPolarHBondContact CA-O 3.33Å; T367-K371 WeakPolarHBondContact O-CD 3.37Å; T367-K371 VanDerWaalsContact O-CE 3.3Å; T367-K371 WeakPolarHBondContact O-CE 3.5Å; T367-K371 WeakPolarHBondContact O-CG 3.3Å; T368-K371 PolarHBondContact O-N 2.9Å; A369-K371 PolarHBondContact O-N 3.11Å; A369-K371 VanDerWaalsContact O-N 3.13Å
372	Q	97.7	Very high	96.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.233	C	C	.	.			trans	-150	54	-172.2	63.2	-161	27.7	0	0	113.2	G313 A369 E370 W374 L375	G313-Q372 PolarHBondContact O-NE2 3.2Å; G313-Q372 PolarHBondContact O-OE1 3.33Å; A369-Q372 CarbonylContact O-C 3.37Å; A369-Q372 PolarHBondContact O-N 3.11Å; E370-Q372 VanDerWaalsContact C-N 3.27Å; E370-Q372 PolarHBondContact O-N 3.39Å; Q372-W374 HydrophobicContact CB-CD2 4.49Å; Q372-W374 HydrophobicContact CB-CZ2 3.95Å; Q372-W374 PolarHBondContact O-N 3.02Å; Q372-L375 HydrophobicContact CG-CB 4.32Å; Q372-L375 HydrophobicContact CG-CD2 4.42Å; Q372-L375 VanDerWaalsContact O-CB 3.29Å; Q372-L375 WeakPolarHBondContact O-CB 3.19Å; Q372-L375 PolarHBondContact O-N 2.91Å
373	P	96.2	Very high	96.9	Very high	95 Å²	95	48.3 Å²	48.3	62%	0.617	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-59.4	-25.3	-179.5	25.8	-35.4	0	0	0	112.7	L375 C376	P373-L375 PolarHBondContact O-N 3.14Å; P373-L375 VanDerWaalsContact O-N 3.13Å; P373-C376 PolarHBondContact O-N 3.09Å
374	W	96.9	Very high	96.7	Very high	32 Å²	32	46.7 Å²	46.7	12%	0.121	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-59.5	-19.2	174	60.1	-103.4	0	0	0	113.5	L315 G316 P317 P319 F323 Q372 C376 Q377 F378	L315-W374 HydrophobicContact CB-CH2 4.02Å; L315-W374 HydrophobicContact CB-CZ2 4.02Å; L315-W374 HydrophobicContact CD1-CH2 4.02Å; G316-W374 WeakPolarHBondContact O-CZ2 3.43Å; G316-W374 PolarHBondContact O-NE1 2.86Å; P317-W374 VanDerWaalsContact C-NE1 3.34Å; P317-W374 PolarHBondContact O-NE1 2.96Å; P317-W374 VanDerWaalsContact O-NE1 3.16Å; P319-W374 HydrophobicContact CB-CD2 4.17Å; P319-W374 HydrophobicContact CB-CE3 3.87Å; P319-W374 HydrophobicContact CB-CZ3 4.08Å; P319-W374 HydrophobicContact CG-CB 4.1Å; P319-W374 HydrophobicContact CG-CD2 3.62Å; P319-W374 HydrophobicContact CG-CE3 3.66Å; P319-W374 HydrophobicContact CG-CG 3.82Å; P319-W374 HydrophobicContact CG-CZ3 4.37Å; F323-W374 HydrophobicContact CB-CH2 3.69Å; F323-W374 HydrophobicContact CB-CZ3 4.23Å; F323-W374 AromaticContact CD1-CH2 3.89Å; F323-W374 HydrophobicContact CD1-CH2 3.89Å; F323-W374 AromaticContact CD1-CZ3 3.52Å; F323-W374 HydrophobicContact CD1-CZ3 3.52Å; F323-W374 HydrophobicContact CE1-CZ3 4.14Å; F323-W374 AromaticContact CG-CH2 3.95Å; F323-W374 HydrophobicContact CG-CH2 3.95Å; F323-W374 HydrophobicContact CG-CZ3 4.05Å; Q372-W374 HydrophobicContact CB-CD2 4.49Å; Q372-W374 HydrophobicContact CB-CZ2 3.95Å; Q372-W374 PolarHBondContact O-N 3.02Å; W374-C376 VanDerWaalsContact C-N 3.26Å; W374-C376 PolarHBondContact O-N 3.43Å; W374-Q377 WeakPolarHBondContact O-CG 3.33Å; W374-Q377 PolarHBondContact O-N 3.31Å; W374-Q377 PolarHBondContact O-NE2 2.91Å; W374-F378 HydrophobicContact CE3-CD2 4.08Å; W374-F378 AromaticContact CE3-CE2 3.8Å; W374-F378 HydrophobicContact CE3-CE2 3.8Å; W374-F378 HydrophobicContact CZ3-CD2 4.14Å; W374-F378 AromaticContact CZ3-CE2 3.99Å; W374-F378 HydrophobicContact CZ3-CE2 3.99Å
375	L	97.3	Very high	96.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-66.4	-30.5	-176.2	-175.5	60.3	0	0	0	112	I312 L315 F323 Q372 P373 Q377 F378 F379	I312-L375 HydrophobicContact CD1-CD2 4.19Å; I312-L375 HydrophobicContact CG2-CD2 3.83Å; L315-L375 HydrophobicContact CD1-CD1 4.04Å; L315-L375 HydrophobicContact CD1-CD2 3.97Å; F323-L375 HydrophobicContact CE1-CD1 4.32Å; F323-L375 HydrophobicContact CZ-CD1 4.28Å; Q372-L375 HydrophobicContact CG-CB 4.32Å; Q372-L375 HydrophobicContact CG-CD2 4.42Å; Q372-L375 VanDerWaalsContact O-CB 3.29Å; Q372-L375 WeakPolarHBondContact O-CB 3.19Å; Q372-L375 PolarHBondContact O-N 2.91Å; P373-L375 PolarHBondContact O-N 3.14Å; P373-L375 VanDerWaalsContact O-N 3.13Å; L375-Q377 PolarHBondContact O-N 3.15Å; L375-Q377 VanDerWaalsContact O-N 3.09Å; L375-F378 HydrophobicContact CD1-CD2 4.44Å; L375-F378 WeakPolarHBondContact O-CB 3.26Å; L375-F378 PolarHBondContact O-N 3.11Å; L375-F379 HydrophobicContact CB-CZ 4.47Å; L375-F379 HydrophobicContact CD1-CE1 4.47Å; L375-F379 HydrophobicContact CD2-CE1 3.98Å; L375-F379 HydrophobicContact CD2-CZ 3.66Å; L375-F379 HydrophobicContact CG-CE1 3.8Å; L375-F379 HydrophobicContact CG-CE2 4.37Å; L375-F379 HydrophobicContact CG-CZ 3.64Å
376	C	95.8	Very high	96	Very high	52 Å²	52	52.7 Å²	52.7	35%	0.351	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-55.9	-29.9	-179.4	-69.1	0	0	0	0	113.7	P373 W374 F378 F379	P373-C376 PolarHBondContact O-N 3.09Å; W374-C376 VanDerWaalsContact C-N 3.26Å; W374-C376 PolarHBondContact O-N 3.43Å; C376-F378 PolarHBondContact O-N 3.11Å; C376-F378 VanDerWaalsContact O-N 3.14Å; C376-F379 HydrophobicContact CB-CD2 4.28Å; C376-F379 PolarHBondContact O-N 2.93Å; C376-F379 VanDerWaalsContact O-N 3.13Å
377	Q	95.6	Very high	95.8	Very high	110 Å²	110	47.5 Å²	47.5	51%	0.514	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-65.6	-17.2	178.5	80.3	-165.4	-48	0	0	113.6	W374 L375	W374-Q377 WeakPolarHBondContact O-CG 3.33Å; W374-Q377 PolarHBondContact O-N 3.31Å; W374-Q377 PolarHBondContact O-NE2 2.91Å; L375-Q377 PolarHBondContact O-N 3.15Å; L375-Q377 VanDerWaalsContact O-N 3.09Å
378	F	97.2	Very high	95.7	Very high	35 Å²	35	45.4 Å²	45.4	15%	0.154	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-99.8	-1.4	179.4	-60.9	-78	0	0	0	113	P319 F323 T324 L339 M341 W374 L375 C376 Y380	P319-F378 HydrophobicContact CB-CE2 4.39Å; F323-F378 HydrophobicContact CD1-CD2 4.34Å; F323-F378 HydrophobicContact CD1-CE2 4.22Å; F323-F378 HydrophobicContact CE1-CB 4.28Å; F323-F378 AromaticContact CE1-CD1 3.96Å; F323-F378 HydrophobicContact CE1-CD1 3.96Å; F323-F378 AromaticContact CE1-CD2 3.64Å; F323-F378 HydrophobicContact CE1-CD2 3.64Å; F323-F378 HydrophobicContact CE1-CE1 4.16Å; F323-F378 AromaticContact CE1-CE2 3.86Å; F323-F378 HydrophobicContact CE1-CE2 3.86Å; F323-F378 AromaticContact CE1-CG 3.7Å; F323-F378 HydrophobicContact CE1-CG 3.7Å; F323-F378 HydrophobicContact CE1-CZ 4.12Å; F323-F378 HydrophobicContact CZ-CB 4.39Å; F323-F378 HydrophobicContact CZ-CG 4.26Å; T324-F378 HydrophobicContact CG2-CE1 4.44Å; T324-F378 HydrophobicContact CG2-CE2 4.43Å; T324-F378 HydrophobicContact CG2-CZ 3.83Å; L339-F378 HydrophobicContact CB-CD1 3.86Å; L339-F378 HydrophobicContact CB-CE1 4.25Å; L339-F378 HydrophobicContact CD1-CE1 4.45Å; M341-F378 HydrophobicContact CG-CB 4.38Å; M341-F378 PolarHBondContact N-O 2.85Å; W374-F378 HydrophobicContact CE3-CD2 4.08Å; W374-F378 AromaticContact CE3-CE2 3.8Å; W374-F378 HydrophobicContact CE3-CE2 3.8Å; W374-F378 HydrophobicContact CZ3-CD2 4.14Å; W374-F378 AromaticContact CZ3-CE2 3.99Å; W374-F378 HydrophobicContact CZ3-CE2 3.99Å; L375-F378 HydrophobicContact CD1-CD2 4.44Å; L375-F378 WeakPolarHBondContact O-CB 3.26Å; L375-F378 PolarHBondContact O-N 3.11Å; C376-F378 PolarHBondContact O-N 3.11Å; C376-F378 VanDerWaalsContact O-N 3.14Å; F378-Y380 VanDerWaalsContact O-CD2 3.27Å; F378-Y380 WeakPolarHBondContact O-CD2 3.3Å
379	F	98.4	Very high	95.7	Very high	1 Å²	1	50.3 Å²	50.3	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	142.3	-176.1	-71.9	-32.6	0	0	0	114.1	I312 M341 Y343 Y364 L375 C376 Y486 P492	I312-F379 HydrophobicContact CD1-CE1 3.86Å; I312-F379 HydrophobicContact CD1-CZ 3.64Å; M341-F379 HydrophobicContact CB-CD1 4.2Å; M341-F379 CarbonylContact O-C 3.35Å; M341-F379 WeakPolarHBondContact O-CA 3.39Å; Y343-F379 HydrophobicContact CD1-CZ 4.49Å; Y343-F379 HydrophobicContact CG-CE1 4.42Å; Y364-F379 HydrophobicContact CE1-CE2 4.41Å; Y364-F379 HydrophobicContact CE1-CZ 4.2Å; L375-F379 HydrophobicContact CB-CZ 4.47Å; L375-F379 HydrophobicContact CD1-CE1 4.47Å; L375-F379 HydrophobicContact CD2-CE1 3.98Å; L375-F379 HydrophobicContact CD2-CZ 3.66Å; L375-F379 HydrophobicContact CG-CE1 3.8Å; L375-F379 HydrophobicContact CG-CE2 4.37Å; L375-F379 HydrophobicContact CG-CZ 3.64Å; C376-F379 HydrophobicContact CB-CD2 4.28Å; C376-F379 PolarHBondContact O-N 2.93Å; C376-F379 VanDerWaalsContact O-N 3.13Å; F379-Y486 HydrophobicContact CB-CD1 3.84Å; F379-Y486 HydrophobicContact CB-CD2 3.89Å; F379-Y486 HydrophobicContact CB-CE1 3.83Å; F379-Y486 HydrophobicContact CB-CE2 3.88Å; F379-Y486 HydrophobicContact CB-CG 3.86Å; F379-Y486 HydrophobicContact CD2-CE2 4.13Å; F379-Y486 HydrophobicContact CG-CE2 4.41Å; F379-Y486 PolarHBondContact O-N 3.13Å; F379-P492 HydrophobicContact CD2-CB 3.91Å; F379-P492 HydrophobicContact CD2-CG 4.3Å; F379-P492 HydrophobicContact CE2-CB 3.69Å; F379-P492 HydrophobicContact CE2-CG 4.01Å
380	Y	98.3	Very high	95.6	Very high	30 Å²	30	49.5 Å²	49.5	12%	0.118	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	147	177.6	-72.9	-106.2	0	0	0	108.7	R340 M341 I342 Y343 F378 P483 V484 K485 Y486	R340-Y380 VanDerWaalsContact CA-CE2 3.49Å; R340-Y380 HydrophobicContact CB-CD1 4.38Å; R340-Y380 HydrophobicContact CB-CD2 3.57Å; R340-Y380 HydrophobicContact CB-CE1 4.25Å; R340-Y380 HydrophobicContact CB-CE2 3.43Å; R340-Y380 VanDerWaalsContact CB-CE2 3.43Å; R340-Y380 HydrophobicContact CB-CG 4.08Å; R340-Y380 HydrophobicContact CG-CD2 4.22Å; R340-Y380 HydrophobicContact CG-CE1 4.11Å; R340-Y380 HydrophobicContact CG-CE2 3.57Å; R340-Y380 VanDerWaalsContact CG-CZ 3.5Å; M341-Y380 PolarHBondContact O-N 3.2Å; I342-Y380 WeakPolarHBondContact CA-O 3.4Å; Y343-Y380 PolarHBondContact N-O 2.8Å; Y343-Y380 VanDerWaalsContact O-O 3.11Å; F378-Y380 VanDerWaalsContact O-CD2 3.27Å; F378-Y380 WeakPolarHBondContact O-CD2 3.3Å; Y380-P483 HydrophobicContact CD1-CB 3.81Å; Y380-P483 HydrophobicContact CD1-CG 3.65Å; Y380-P483 WeakPolarHBondContact CD1-O 3.45Å; Y380-P483 HydrophobicContact CE1-CG 4.21Å; Y380-P483 WeakPolarHBondContact CE1-O 2.82Å; Y380-P483 HydrophobicContact CG-CB 4.17Å; Y380-P483 HydrophobicContact CG-CG 4.08Å; Y380-V484 CarbonylContact C-O 3.49Å; Y380-V484 VanDerWaalsContact CA-O 3.23Å; Y380-V484 WeakPolarHBondContact CA-O 3.3Å; Y380-V484 WeakPolarHBondContact CB-O 3.46Å; Y380-V484 VanDerWaalsContact CD1-C 3.41Å; Y380-V484 WeakPolarHBondContact CD1-O 3.35Å; Y380-K485 VanDerWaalsContact CD1-CA 3.42Å; Y380-K485 HydrophobicContact CD1-CB 3.98Å; Y380-K485 VanDerWaalsContact CD1-N 3.33Å; Y380-K485 HydrophobicContact CE1-CB 3.65Å; Y380-K485 HydrophobicContact CE1-CG 4.13Å; Y380-K485 HydrophobicContact CE2-CG 4.36Å; Y380-Y486 WeakPolarHBondContact O-CE1 3.17Å
381	R	97.7	Very high	95.6	Very high	38 Å²	38	43.9 Å²	43.9	14%	0.143	21%	0.214	C	C	.	.			trans	-67.6	148.6	-173.6	-66	-67.5	-67.4	-90.3	-0.9	111.9	S345 D348 Q383 V484 Y486 D490	S345-R381 VanDerWaalsContact OG-CZ 3.31Å; S345-R381 PolarHBondContact OG-NE 2.92Å; S345-R381 VanDerWaalsContact OG-NE 3.17Å; S345-R381 PolarHBondContact OG-NH2 2.89Å; D348-R381 IonicContact OD1-CZ 3.63Å; D348-R381 VanDerWaalsContact OD1-CZ 3.3Å; D348-R381 IonicContact OD1-NE 3.81Å; D348-R381 PolarHBondContact OD1-NE 2.54Å; D348-R381 IonicContact OD1-NH2 2.87Å; D348-R381 PolarHBondContact OD1-NH2 3.35Å; D348-R381 IonicContact OD2-NE 3.94Å; D348-R381 PolarHBondContact OD2-NE 3.49Å; D348-R381 VanDerWaalsContact OD2-NE 3.07Å; R381-Q383 HydrophobicContact CB-CG 4.35Å; R381-Q383 PolarHBondContact O-N 3.2Å; R381-V484 PolarHBondContact N-O 2.66Å; R381-Y486 HydrophobicContact CG-CD1 3.93Å; R381-Y486 HydrophobicContact CG-CE1 4.17Å; R381-D490 WeakPolarHBondContact CD-OD2 3.35Å; R381-D490 IonicContact CZ-OD1 3.13Å; R381-D490 IonicContact CZ-OD2 3.85Å; R381-D490 IonicContact NH1-OD1 2.61Å; R381-D490 PolarHBondContact NH1-OD1 3.48Å; R381-D490 IonicContact NH1-OD2 3.02Å; R381-D490 PolarHBondContact NH1-OD2 3.47Å; R381-D490 VanDerWaalsContact NH1-OD2 3.07Å
382	W	97.8	Very high	95.6	Very high	6 Å²	6	38.7 Å²	38.7	2%	0.023	19%	0.192	C	C	.	.			trans	-74.9	109.1	166.8	170.7	-109.8	0	0	0	109.4	T196 Q308 I342 P344 D348 A384 S388 A390 P392 Y479	T196-W382 HydrophobicContact CG2-CH2 4.07Å; T196-W382 HydrophobicContact CG2-CZ2 4.33Å; Q308-W382 HydrophobicContact CG-CE3 4.47Å; Q308-W382 HydrophobicContact CG-CZ3 4.26Å; I342-W382 HydrophobicContact CG2-CE3 4.01Å; P344-W382 HydrophobicContact CB-CB 4.44Å; P344-W382 HydrophobicContact CG-CB 4.2Å; D348-W382 HydrophobicContact CB-CB 4.49Å; D348-W382 PolarHBondContact OD2-N 3.48Å; W382-A384 HydrophobicContact CD2-CB 4.4Å; W382-A384 HydrophobicContact CH2-CB 3.52Å; W382-A384 HydrophobicContact CZ2-CB 3.31Å; W382-A384 HydrophobicContact CZ3-CB 4.17Å; W382-S388 VanDerWaalsContact CD1-O 3.23Å; W382-S388 PolarHBondContact NE1-O 3.03Å; W382-A390 WeakPolarHBondContact CZ2-O 3.24Å; W382-A390 PolarHBondContact NE1-O 2.85Å; W382-P392 HydrophobicContact CB-CG 4.35Å; W382-P392 HydrophobicContact CD2-CB 3.67Å; W382-P392 HydrophobicContact CD2-CG 3.55Å; W382-P392 HydrophobicContact CE3-CB 3.54Å; W382-P392 HydrophobicContact CE3-CG 3.76Å; W382-P392 HydrophobicContact CG-CB 4.43Å; W382-P392 HydrophobicContact CG-CG 3.8Å; W382-P392 HydrophobicContact CH2-CB 3.77Å; W382-P392 HydrophobicContact CZ2-CB 3.87Å; W382-P392 HydrophobicContact CZ3-CB 3.59Å; W382-P392 HydrophobicContact CZ3-CG 4.33Å; W382-Y479 HydrophobicContact CZ3-CD1 4.06Å
383	Q	95.9	Very high	95.6	Very high	63 Å²	63	39.1 Å²	39.1	29%	0.294	19%	0.194	S	C	.	.			trans	-137.3	127.6	174.4	-70.4	-177.1	-19.7	0	0	108.8	R381 Y479 E480	R381-Q383 HydrophobicContact CB-CG 4.35Å; R381-Q383 PolarHBondContact O-N 3.2Å; Q383-Y479 CarbonylContact O-C 3.54Å; Q383-Y479 WeakPolarHBondContact O-CA 3.47Å; Q383-Y479 WeakPolarHBondContact O-CB 3.5Å; Q383-E480 HydrophobicContact CB-CB 4.47Å; Q383-E480 PolarHBondContact O-N 3.27Å
384	A	92.3	Very high	95.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.165	C	C	.	.			trans	-147.9	50.9	-165.6	0	0	0	0	0	111.8	W382 N386 H387 S388 P478	W382-A384 HydrophobicContact CD2-CB 4.4Å; W382-A384 HydrophobicContact CH2-CB 3.52Å; W382-A384 HydrophobicContact CZ2-CB 3.31Å; W382-A384 HydrophobicContact CZ3-CB 4.17Å; A384-N386 PolarHBondContact O-N 3.38Å; A384-H387 WeakPolarHBondContact CB-NE2 3.35Å; A384-H387 CarbonylContact O-C 3.51Å; A384-H387 PolarHBondContact O-CE1 3.19Å; A384-H387 PolarHBondContact O-N 3.42Å; A384-H387 PolarHBondContact O-ND1 3.28Å; A384-H387 PolarHBondContact O-NE2 3.1Å; A384-S388 PolarHBondContact N-OG 3.31Å; A384-S388 PolarHBondContact O-N 3.07Å; A384-P478 VanDerWaalsContact CB-O 3.31Å; A384-P478 WeakPolarHBondContact CB-O 3.43Å
385	F	89.5	Confident	95.8	Very high	65 Å²	65	33.1 Å²	33.1	29%	0.285	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	53.5	-132.9	178.2	-45.6	-82	0	0	0	110.9	I83 H387 S388 E480	I83-F385 HydrophobicContact CD1-CD2 4.19Å; I83-F385 HydrophobicContact CD1-CE2 4.36Å; F385-H387 PolarHBondContact O-N 2.87Å; F385-S388 PolarHBondContact N-OG 3.19Å; F385-S388 WeakPolarHBondContact O-CB 3.45Å; F385-S388 PolarHBondContact O-N 3.3Å; F385-S388 PolarHBondContact O-OG 3.17Å; F385-E480 WeakPolarHBondContact CA-OE1 3.04Å; F385-E480 HydrophobicContact CD1-CG 3.5Å; F385-E480 HydrophobicContact CD2-CG 4.12Å; F385-E480 HydrophobicContact CE1-CB 4.46Å; F385-E480 HydrophobicContact CE1-CG 3.49Å; F385-E480 VanDerWaalsContact CE1-CG 3.49Å; F385-E480 HydrophobicContact CE2-CG 4.09Å; F385-E480 HydrophobicContact CG-CG 3.84Å; F385-E480 HydrophobicContact CZ-CB 4.45Å; F385-E480 HydrophobicContact CZ-CG 3.78Å; F385-E480 PolarHBondContact N-OE1 3Å
386	N	88.1	Confident	95.9	Very high	107 Å²	107	33.1 Å²	33.1	57%	0.572	16%	0.159	S	C	*	.	G	3₁₀ helix	trans	-69.2	-16.6	179.6	-64.9	-22.1	0	0	0	114	K79 A384	K79-N386 WeakPolarHBondContact O-CB 3.29Å; K79-N386 PolarHBondContact O-ND2 3.3Å; A384-N386 PolarHBondContact O-N 3.38Å
387	H	91.6	Very high	96	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.009	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-102.7	16.4	178.2	63.4	-86	0	0	0	113.2	V78 Y80 A384 F385 R389 A390 P478	V78-H387 HydrophobicContact CG1-CB 3.56Å; Y80-H387 HydrophobicContact CD1-CB 4.12Å; Y80-H387 AromaticContact CD1-CG 3.83Å; Y80-H387 AromaticContact CD1-ND1 3.46Å; Y80-H387 WeakPolarHBondContact CD1-ND1 3.38Å; Y80-H387 HydrophobicContact CE1-CB 3.54Å; Y80-H387 AromaticContact CE1-CD2 3.96Å; Y80-H387 AromaticContact CE1-CG 3.43Å; Y80-H387 VanDerWaalsContact CE1-CG 3.43Å; Y80-H387 AromaticContact CE1-ND1 3.59Å; A384-H387 WeakPolarHBondContact CB-NE2 3.35Å; A384-H387 CarbonylContact O-C 3.51Å; A384-H387 PolarHBondContact O-CE1 3.19Å; A384-H387 PolarHBondContact O-N 3.42Å; A384-H387 PolarHBondContact O-ND1 3.28Å; A384-H387 PolarHBondContact O-NE2 3.1Å; F385-H387 PolarHBondContact O-N 2.87Å; H387-R389 PolarHBondContact O-N 3.13Å; H387-A390 WeakPolarHBondContact O-CB 3.43Å; H387-A390 PolarHBondContact O-N 3.43Å; H387-P478 PolarHBondContact NE2-O 3.44Å
388	S	95.2	Very high	96.1	Very high	39 Å²	39	25.4 Å²	25.4	27%	0.273	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-29.2	176.6	-62.6	0	0	0	0	114.1	W382 A384 F385	W382-S388 VanDerWaalsContact CD1-O 3.23Å; W382-S388 PolarHBondContact NE1-O 3.03Å; A384-S388 PolarHBondContact N-OG 3.31Å; A384-S388 PolarHBondContact O-N 3.07Å; F385-S388 PolarHBondContact N-OG 3.19Å; F385-S388 WeakPolarHBondContact O-CB 3.45Å; F385-S388 PolarHBondContact O-N 3.3Å; F385-S388 PolarHBondContact O-OG 3.17Å
389	R	95.7	Very high	96	Very high	130 Å²	130	24.4 Å²	24.4	49%	0.491	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-13	178.4	-63.3	-178.1	66	-161.2	-3	113.8	N351 S352 L353 H387 A391	N351-R389 PolarHBondContact O-NE 2.86Å; S352-R389 CarbonylContact C-O 3.59Å; S352-R389 VanDerWaalsContact CA-O 3.23Å; S352-R389 WeakPolarHBondContact CA-O 3.33Å; S352-R389 WeakPolarHBondContact CB-O 3.4Å; L353-R389 HydrophobicContact CD2-CB 4.04Å; L353-R389 HydrophobicContact CG-CB 3.89Å; L353-R389 WeakPolarHBondContact CG-O 3.5Å; L353-R389 PolarHBondContact N-O 3.3Å; H387-R389 PolarHBondContact O-N 3.13Å; R389-A391 PolarHBondContact O-N 3.15Å
390	A	95.6	Very high	95.8	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.008	11%	0.113	C	C	.	.	S	Bend	trans	-82.4	111.6	173.2	0	0	0	0	0	109.1	V75 R194 T196 L353 W382 H387	V75-A390 HydrophobicContact CG2-CB 4.25Å; R194-A390 WeakPolarHBondContact O-CA 3.4Å; R194-A390 WeakPolarHBondContact O-CB 3.2Å; T196-A390 WeakPolarHBondContact OG1-CB 3.47Å; T196-A390 PolarHBondContact OG1-O 2.81Å; L353-A390 HydrophobicContact CD1-CB 4.12Å; W382-A390 WeakPolarHBondContact CZ2-O 3.24Å; W382-A390 PolarHBondContact NE1-O 2.85Å; H387-A390 WeakPolarHBondContact O-CB 3.43Å; H387-A390 PolarHBondContact O-N 3.43Å
391	A	97.1	Very high	95.6	Very high	5 Å²	5	23.1 Å²	23.1	4%	0.041	11%	0.108	C	C	.	.			trans	-58.8	142.4	-173.3	0	0	0	0	0	112	T196 A358 R389 H393	T196-A391 PolarHBondContact N-O 2.9Å; A358-A391 HydrophobicContact CB-CB 3.56Å; R389-A391 PolarHBondContact O-N 3.15Å; A391-H393 PolarHBondContact O-N 3.11Å; A391-H393 VanDerWaalsContact O-N 3.15Å
392	P	97.9	Very high	95.3	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-84	98.3	-171.4	33.1	-35.4	0	0	0	112.4	S310 P344 L362 W382 I394	S310-P392 VanDerWaalsContact CB-O 3.3Å; S310-P392 WeakPolarHBondContact CB-O 3.17Å; P344-P392 HydrophobicContact CG-CG 3.35Å; L362-P392 HydrophobicContact CD2-CG 4.4Å; W382-P392 HydrophobicContact CB-CG 4.35Å; W382-P392 HydrophobicContact CD2-CB 3.67Å; W382-P392 HydrophobicContact CD2-CG 3.55Å; W382-P392 HydrophobicContact CE3-CB 3.54Å; W382-P392 HydrophobicContact CE3-CG 3.76Å; W382-P392 HydrophobicContact CG-CB 4.43Å; W382-P392 HydrophobicContact CG-CG 3.8Å; W382-P392 HydrophobicContact CH2-CB 3.77Å; W382-P392 HydrophobicContact CZ2-CB 3.87Å; W382-P392 HydrophobicContact CZ3-CB 3.59Å; W382-P392 HydrophobicContact CZ3-CG 4.33Å; P392-I394 VanDerWaalsContact C-N 3.3Å; P392-I394 HydrophobicContact CB-CG2 4.16Å
393	H	98.2	Very high	95.1	Very high	9 Å²	9	29.1 Å²	29.1	4%	0.042	15%	0.148	C	C	.	.			trans	-95	15.4	167.6	-165.9	-102.7	0	0	0	113.1	T184 N186 D191 R195 T196 Q197 S310 C361 A391 K395	T184-H393 PolarHBondContact O-CE1 3.42Å; T184-H393 PolarHBondContact O-ND1 3.17Å; N186-H393 PolarHBondContact ND2-CE1 3.43Å; D191-H393 IonicContact OD2-CE1 2.7Å; D191-H393 PolarHBondContact OD2-CE1 3.33Å; D191-H393 IonicContact OD2-ND1 3.3Å; D191-H393 PolarHBondContact OD2-ND1 2.81Å; D191-H393 IonicContact OD2-NE2 3.36Å; R195-H393 HydrophobicContact CB-CB 4.12Å; T196-H393 CarbonylContact O-C 3.59Å; T196-H393 WeakPolarHBondContact O-CA 3.18Å; T196-H393 PolarHBondContact O-N 3.16Å; Q197-H393 PolarHBondContact NE2-ND1 3.13Å; Q197-H393 PolarHBondContact OE1-ND1 3.17Å; Q197-H393 VanDerWaalsContact OE1-ND1 3.09Å; Q197-H393 PolarHBondContact OE1-O 3.37Å; S310-H393 PolarHBondContact OG-CD2 3.1Å; C361-H393 HydrophobicContact CB-CB 4.46Å; C361-H393 PolarHBondContact O-CD2 3.12Å; A391-H393 PolarHBondContact O-N 3.11Å; A391-H393 VanDerWaalsContact O-N 3.15Å; H393-K395 PolarHBondContact CD2-NZ 2.95Å; H393-K395 PolarHBondContact CE1-NZ 2.79Å; H393-K395 VanDerWaalsContact CE1-NZ 3.34Å; H393-K395 PolarHBondContact NE2-NZ 3.12Å; H393-K395 VanDerWaalsContact NE2-NZ 3.13Å; H393-K395 PolarHBondContact O-NZ 2.66Å
394	I	98.4	Very high	95.1	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.135	C	C	.	.			trans	-87.1	153.1	173.6	-176.7	163.3	0	0	0	111.6	L72 T184 T196 Q308 P392 L412 P478	L72-I394 HydrophobicContact CD2-CD1 4.07Å; T184-I394 HydrophobicContact CG2-CG1 4.14Å; T196-I394 HydrophobicContact CG2-CG2 4Å; T196-I394 PolarHBondContact O-N 2.9Å; T196-I394 VanDerWaalsContact O-N 3.11Å; Q308-I394 PolarHBondContact NE2-O 3.41Å; Q308-I394 PolarHBondContact OE1-O 2.71Å; P392-I394 VanDerWaalsContact C-N 3.3Å; P392-I394 HydrophobicContact CB-CG2 4.16Å; I394-L412 HydrophobicContact CD1-CD1 3.83Å; I394-L412 HydrophobicContact CG1-CD1 3.81Å; I394-P478 HydrophobicContact CD1-CB 3.76Å; I394-P478 HydrophobicContact CD1-CG 3.66Å
395	K	98.6	Very high	95.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.149	C	C	.	.			trans	-129	117.2	171.3	-59.1	59.1	157	161.2	0	107.8	Q308 F309 S310 H393 T413 A415 N416	Q308-K395 CarbonylContact O-C 3.53Å; Q308-K395 VanDerWaalsContact O-CA 3.26Å; Q308-K395 WeakPolarHBondContact O-CA 3.01Å; F309-K395 HydrophobicContact CB-CG 4.16Å; S310-K395 VanDerWaalsContact OG-CE 3.29Å; S310-K395 WeakPolarHBondContact OG-CE 3.46Å; S310-K395 PolarHBondContact OG-NZ 2.97Å; H393-K395 PolarHBondContact CD2-NZ 2.95Å; H393-K395 PolarHBondContact CE1-NZ 2.79Å; H393-K395 VanDerWaalsContact CE1-NZ 3.34Å; H393-K395 PolarHBondContact NE2-NZ 3.12Å; H393-K395 VanDerWaalsContact NE2-NZ 3.13Å; H393-K395 PolarHBondContact O-NZ 2.66Å; K395-T413 HydrophobicContact CB-CG2 4.25Å; K395-T413 WeakPolarHBondContact CB-O 3.33Å; K395-T413 PolarHBondContact O-N 3Å; K395-A415 WeakPolarHBondContact CB-O 3.39Å; K395-N416 WeakPolarHBondContact CE-ND2 3.27Å; K395-N416 WeakPolarHBondContact CE-OD1 3.4Å; K395-N416 WeakPolarHBondContact CG-OD1 3.41Å
396	S	98.7	Very high	95.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	151.8	-177	61.1	0	0	0	0	113	Q308 L411 Y479	Q308-S396 PolarHBondContact N-O 2.94Å; Q308-S396 PolarHBondContact O-N 3.43Å; Q308-S396 VanDerWaalsContact O-O 3.13Å; S396-L411 CarbonylContact C-O 3.59Å; S396-L411 WeakPolarHBondContact CA-O 3.45Å; S396-L411 WeakPolarHBondContact CB-O 3.48Å; S396-Y479 WeakPolarHBondContact OG-CE1 3.43Å; S396-Y479 PolarHBondContact OG-OH 2.97Å
397	Y	98.3	Very high	95.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	147.7	-176.1	-56.6	-91.4	0	0	0	110.3	I306 F309 W327 L331 W409 L411 T413 A415 L417 W422	I306-Y397 CarbonylContact O-C 3.59Å; I306-Y397 WeakPolarHBondContact O-CA 3.13Å; F309-Y397 HydrophobicContact CD1-CE1 4.08Å; W327-Y397 HydrophobicContact CH2-CD1 4.18Å; W327-Y397 HydrophobicContact CH2-CE1 4.05Å; W327-Y397 AromaticContact CZ2-CD1 3.77Å; W327-Y397 HydrophobicContact CZ2-CD1 3.77Å; W327-Y397 AromaticContact CZ2-CE1 3.52Å; W327-Y397 HydrophobicContact CZ2-CE1 3.52Å; L331-Y397 HydrophobicContact CD2-CD1 3.96Å; L331-Y397 HydrophobicContact CD2-CG 4.33Å; Y397-W409 WeakPolarHBondContact O-CZ3 3.33Å; Y397-L411 HydrophobicContact CD2-CD2 4.26Å; Y397-L411 PolarHBondContact N-O 2.88Å; Y397-L411 PolarHBondContact O-N 3.22Å; Y397-T413 HydrophobicContact CD2-CG2 4.01Å; Y397-T413 HydrophobicContact CE2-CG2 3.77Å; Y397-A415 PolarHBondContact OH-O 2.75Å; Y397-L417 PolarHBondContact OH-N 3.49Å; Y397-W422 HydrophobicContact CD2-CH2 4.46Å; Y397-W422 AromaticContact CD2-CZ2 3.79Å; Y397-W422 HydrophobicContact CD2-CZ2 3.79Å; Y397-W422 AromaticContact CE2-CZ2 3.5Å; Y397-W422 HydrophobicContact CE2-CZ2 3.5Å; Y397-W422 VanDerWaalsContact CE2-CZ2 3.5Å; Y397-W422 HydrophobicContact CG-CZ2 4.42Å; Y397-W422 AromaticContact CZ-CZ2 3.88Å; Y397-W422 AromaticContact CZ-NE1 3.84Å; Y397-W422 PolarHBondContact OH-NE1 3.15Å
398	T	96.7	Very high	95.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	172.7	179.5	-177	0	0	0	0	111.9	V305 I306 I407 W409 I477	V305-T398 WeakPolarHBondContact CA-O 3.42Å; I306-T398 HydrophobicContact CB-CG2 3.75Å; I306-T398 HydrophobicContact CG1-CG2 4.05Å; I306-T398 PolarHBondContact N-O 2.85Å; I306-T398 PolarHBondContact O-N 2.87Å; T398-I407 HydrophobicContact CG2-CG2 4.09Å; T398-I407 VanDerWaalsContact OG1-CB 3.32Å; T398-I407 WeakPolarHBondContact OG1-CB 3.47Å; T398-I407 WeakPolarHBondContact OG1-CG2 3.26Å; T398-W409 WeakPolarHBondContact CB-O 3.41Å; T398-W409 PolarHBondContact OG1-O 3.1Å; T398-I477 HydrophobicContact CG2-CD1 4.29Å
399	R	94.9	Very high	95.8	Very high	14 Å²	14	23 Å²	23	5%	0.053	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	132.4	160.5	-71.2	-171.5	75.9	-157.8	-4.2	109.7	I299 P300 W303 P304 V305 I407 G408 W409	I299-R399 VanDerWaalsContact CB-NH1 3.29Å; I299-R399 HydrophobicContact CG2-CB 4.15Å; I299-R399 VanDerWaalsContact CG2-CZ 3.46Å; I299-R399 PolarHBondContact O-NH1 3.42Å; P300-R399 PolarHBondContact O-NH2 3.02Å; W303-R399 HydrophobicContact CB-CB 4.48Å; W303-R399 PolarHBondContact O-NE 3.03Å; W303-R399 VanDerWaalsContact O-NE 3.12Å; W303-R399 PolarHBondContact O-NH2 3.46Å; P304-R399 VanDerWaalsContact O-CA 3.3Å; P304-R399 WeakPolarHBondContact O-CA 3.49Å; V305-R399 HydrophobicContact CG2-CG 4.23Å; R399-I407 CarbonylContact O-C 3.59Å; R399-I407 WeakPolarHBondContact O-CA 3.33Å; R399-I407 WeakPolarHBondContact O-CB 3.41Å; R399-G408 PolarHBondContact O-N 3.41Å; R399-W409 HydrophobicContact CG-CZ2 3.83Å
400	M	94.8	Very high	95.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	144	-171.5	-178.8	-162.9	76.9	0	0	111.6	W303 P304 I306 Q406 I407 L481 P482	W303-M400 CarbonylContact C-O 3.49Å; W303-M400 WeakPolarHBondContact CA-O 3.46Å; W303-M400 WeakPolarHBondContact CB-O 3.42Å; W303-M400 VanDerWaalsContact CG-O 3.31Å; P304-M400 WeakPolarHBondContact CD-O 3.14Å; P304-M400 HydrophobicContact CG-CE 3.95Å; P304-M400 PolarHBondContact O-N 3.32Å; I306-M400 HydrophobicContact CD1-CB 4.14Å; I306-M400 HydrophobicContact CD1-CE 4.19Å; I306-M400 HydrophobicContact CD1-SD 4.13Å; I306-M400 HydrophobicContact CG1-CB 3.72Å; I306-M400 HydrophobicContact CG1-SD 4.28Å; M400-Q406 CarbonylContact C-O 3.56Å; M400-Q406 WeakPolarHBondContact CA-O 3.32Å; M400-I407 HydrophobicContact CB-CG2 4.26Å; M400-I407 HydrophobicContact CG-CG2 4.45Å; M400-L481 HydrophobicContact CG-CD1 3.9Å; M400-L481 HydrophobicContact SD-CB 3.78Å; M400-L481 HydrophobicContact SD-CD1 3.93Å; M400-L481 HydrophobicContact SD-CD2 3.56Å; M400-L481 VanDerWaalsContact SD-CD2 3.56Å; M400-L481 HydrophobicContact SD-CG 3.96Å; M400-P482 HydrophobicContact CE-CB 3.77Å; M400-P482 HydrophobicContact SD-CB 4.16Å
401	S	94.4	Very high	96.1	Very high	4 Å²	4	16.8 Å²	16.8	3%	0.028	9%	0.089	C	C	.	.			trans	-61.4	152.6	168.6	60.8	0	0	0	0	111.9	D403 G404 Q405 Q406	S401-D403 VanDerWaalsContact CB-OD1 3.29Å; S401-D403 WeakPolarHBondContact CB-OD1 3.48Å; S401-D403 PolarHBondContact O-N 3.18Å; S401-D403 VanDerWaalsContact O-N 3.11Å; S401-D403 PolarHBondContact OG-OD1 3.02Å; S401-G404 PolarHBondContact O-N 3.22Å; S401-Q405 PolarHBondContact OG-N 3.46Å; S401-Q406 PolarHBondContact N-O 2.66Å; S401-Q406 PolarHBondContact OG-N 3.3Å; S401-Q406 PolarHBondContact OG-O 2.99Å
402	P	92	Very high	96.2	Very high	76 Å²	76	16.7 Å²	16.7	49%	0.494	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.3	-178.3	-29.5	36.8	0	0	0	115.1
403	D	93.8	Very high	96.2	Very high	95 Å²	95	16.8 Å²	16.8	51%	0.508	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-1.7	178.6	64.3	-1.1	0	0	0	114.3	S401 Q405	S401-D403 VanDerWaalsContact CB-OD1 3.29Å; S401-D403 WeakPolarHBondContact CB-OD1 3.48Å; S401-D403 PolarHBondContact O-N 3.18Å; S401-D403 VanDerWaalsContact O-N 3.11Å; S401-D403 PolarHBondContact OG-OD1 3.02Å; D403-Q405 HydrophobicContact CB-CG 4.17Å; D403-Q405 VanDerWaalsContact CG-CG 3.48Å; D403-Q405 PolarHBondContact O-N 3.33Å; D403-Q405 PolarHBondContact O-NE2 3.22Å; D403-Q405 PolarHBondContact OD1-N 2.8Å; D403-Q405 WeakPolarHBondContact OD2-CG 3.15Å
404	G	94.5	Very high	96.3	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.01	9%	0.087	C	C	.	.	S	Bend	trans	70.6	10.5	-179.2	0	0	0	0	0	115.7	S401	S401-G404 PolarHBondContact O-N 3.22Å
405	Q	94.3	Very high	96.3	Very high	65 Å²	65	16.4 Å²	16.4	30%	0.304	9%	0.087	S	C	.	.	S	Bend	trans	-86.3	-19.5	-176.2	-58.3	-55.5	-64.2	0	0	113.8	S401 D403 I457	S401-Q405 PolarHBondContact OG-N 3.46Å; D403-Q405 HydrophobicContact CB-CG 4.17Å; D403-Q405 VanDerWaalsContact CG-CG 3.48Å; D403-Q405 PolarHBondContact O-N 3.33Å; D403-Q405 PolarHBondContact O-NE2 3.22Å; D403-Q405 PolarHBondContact OD1-N 2.8Å; D403-Q405 WeakPolarHBondContact OD2-CG 3.15Å; Q405-I457 PolarHBondContact O-N 3.42Å
406	Q	94.3	Very high	96.3	Very high	78 Å²	78	17.1 Å²	17.1	36%	0.364	9%	0.09	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	154.3	-176.2	-63.2	179.4	-15.7	0	0	112	W303 M400 S401 S454 F455	W303-Q406 HydrophobicContact CH2-CB 3.56Å; W303-Q406 HydrophobicContact CZ2-CB 4.34Å; W303-Q406 HydrophobicContact CZ3-CB 4.11Å; M400-Q406 CarbonylContact C-O 3.56Å; M400-Q406 WeakPolarHBondContact CA-O 3.32Å; S401-Q406 PolarHBondContact N-O 2.66Å; S401-Q406 PolarHBondContact OG-N 3.3Å; S401-Q406 PolarHBondContact OG-O 2.99Å; Q406-S454 PolarHBondContact OE1-OG 3.09Å; Q406-F455 CarbonylContact C-O 3.51Å; Q406-F455 VanDerWaalsContact CA-O 3.22Å; Q406-F455 WeakPolarHBondContact CA-O 3.47Å; Q406-F455 WeakPolarHBondContact CB-O 3.32Å
407	I	95.2	Very high	96.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.5	170.9	56.8	173.2	0	0	0	111.8	T398 R399 M400 F410 S454 F455 I457 F475 L481	T398-I407 HydrophobicContact CG2-CG2 4.09Å; T398-I407 VanDerWaalsContact OG1-CB 3.32Å; T398-I407 WeakPolarHBondContact OG1-CB 3.47Å; T398-I407 WeakPolarHBondContact OG1-CG2 3.26Å; R399-I407 CarbonylContact O-C 3.59Å; R399-I407 WeakPolarHBondContact O-CA 3.33Å; R399-I407 WeakPolarHBondContact O-CB 3.41Å; M400-I407 HydrophobicContact CB-CG2 4.26Å; M400-I407 HydrophobicContact CG-CG2 4.45Å; I407-F410 HydrophobicContact CD1-CB 4.1Å; I407-F410 HydrophobicContact CD1-CD2 4.23Å; I407-S454 CarbonylContact O-C 3.31Å; I407-S454 WeakPolarHBondContact O-CA 3.2Å; I407-S454 WeakPolarHBondContact O-CB 3.21Å; I407-F455 HydrophobicContact CD1-CB 4.47Å; I407-F455 HydrophobicContact CD1-CD2 4.42Å; I407-F455 HydrophobicContact CG1-CB 3.83Å; I407-F455 HydrophobicContact CG1-CD2 4.19Å; I407-F455 PolarHBondContact N-O 2.88Å; I407-F455 PolarHBondContact O-N 2.88Å; I407-I457 HydrophobicContact CB-CD1 4.32Å; I407-I457 HydrophobicContact CD1-CD1 3.93Å; I407-I457 HydrophobicContact CG1-CD1 3.85Å; I407-I457 HydrophobicContact CG2-CD1 3.72Å; I407-F475 HydrophobicContact CD1-CD1 3.9Å; I407-F475 HydrophobicContact CD1-CE1 4.48Å; I407-F475 HydrophobicContact CD1-CG 4.5Å; I407-L481 HydrophobicContact CG2-CD1 3.87Å
408	G	93.6	Very high	96.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-26.1	-174.4	0	0	0	0	0	113.9	N296 R399 P445	N296-G408 PolarHBondContact ND2-O 2.87Å; R399-G408 PolarHBondContact O-N 3.41Å; G408-P445 VanDerWaalsContact O-CD 3.26Å; G408-P445 WeakPolarHBondContact O-CD 3.28Å; G408-P445 WeakPolarHBondContact O-CG 3.39Å
409	W	95.8	Very high	96.3	Very high	3 Å²	3	20.8 Å²	20.8	1%	0.011	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.1	159.3	-178.4	50.9	-90	0	0	0	107.9	L292 L331 Y397 T398 R399 L411 L442 F443 L444	L292-W409 HydrophobicContact CD1-CD2 4.25Å; L292-W409 HydrophobicContact CD1-CH2 4.46Å; L292-W409 HydrophobicContact CD1-CZ2 3.85Å; L292-W409 HydrophobicContact CD2-CB 4.2Å; L292-W409 HydrophobicContact CD2-CD2 3.92Å; L292-W409 HydrophobicContact CD2-CG 3.65Å; L331-W409 HydrophobicContact CB-CH2 4.39Å; L331-W409 HydrophobicContact CB-CZ2 4.3Å; L331-W409 HydrophobicContact CD2-CH2 4.26Å; L331-W409 HydrophobicContact CG-CH2 4.25Å; L331-W409 VanDerWaalsContact O-CZ2 3.25Å; L331-W409 WeakPolarHBondContact O-CZ2 3.21Å; Y397-W409 WeakPolarHBondContact O-CZ3 3.33Å; T398-W409 WeakPolarHBondContact CB-O 3.41Å; T398-W409 PolarHBondContact OG1-O 3.1Å; R399-W409 HydrophobicContact CG-CZ2 3.83Å; W409-L411 HydrophobicContact CE3-CB 4.23Å; W409-L411 HydrophobicContact CZ3-CB 3.85Å; W409-L442 HydrophobicContact CB-CD1 4.2Å; W409-L442 HydrophobicContact CD2-CD1 4.2Å; W409-L442 HydrophobicContact CE3-CD1 3.6Å; W409-L442 HydrophobicContact CG-CD1 4.49Å; W409-L442 HydrophobicContact CZ3-CD1 4.35Å; W409-F443 WeakPolarHBondContact CA-O 3.45Å; W409-F443 WeakPolarHBondContact CB-O 3.21Å; W409-L444 HydrophobicContact CB-CD2 4.09Å
410	F	97.9	Very high	96.4	Very high	1 Å²	1	21.6 Å²	21.6	0%	0.004	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	131.5	174.6	-173.8	-99.2	0	0	0	109.7	I70 I407 L412 L442 F443 F475 I477 P478	I70-F410 HydrophobicContact CD1-CD1 3.95Å; I70-F410 HydrophobicContact CD1-CE1 3.6Å; I407-F410 HydrophobicContact CD1-CB 4.1Å; I407-F410 HydrophobicContact CD1-CD2 4.23Å; F410-L412 HydrophobicContact CE1-CB 4.06Å; F410-L442 WeakPolarHBondContact O-CA 3.25Å; F410-F443 HydrophobicContact CB-CB 4.28Å; F410-F443 HydrophobicContact CB-CD2 4.42Å; F410-F443 AromaticContact CD1-CD2 3.96Å; F410-F443 HydrophobicContact CD1-CD2 3.96Å; F410-F443 HydrophobicContact CD1-CE2 4.28Å; F410-F443 PolarHBondContact N-O 3.08Å; F410-F443 WeakPolarHBondContact O-CD2 3.13Å; F410-F443 PolarHBondContact O-N 3.17Å; F410-F475 HydrophobicContact CB-CD1 4.36Å; F410-F475 HydrophobicContact CB-CE1 3.6Å; F410-F475 HydrophobicContact CB-CZ 3.78Å; F410-F475 AromaticContact CD1-CE1 3.56Å; F410-F475 HydrophobicContact CD1-CE1 3.56Å; F410-F475 AromaticContact CD1-CZ 3.71Å; F410-F475 HydrophobicContact CD1-CZ 3.71Å; F410-F475 HydrophobicContact CD2-CE1 4.11Å; F410-F475 HydrophobicContact CE1-CE1 4.24Å; F410-F475 HydrophobicContact CG-CD1 4.43Å; F410-F475 AromaticContact CG-CE1 3.48Å; F410-F475 HydrophobicContact CG-CE1 3.48Å; F410-F475 VanDerWaalsContact CG-CE1 3.48Å; F410-F475 AromaticContact CG-CZ 3.91Å; F410-F475 HydrophobicContact CG-CZ 3.91Å; F410-I477 HydrophobicContact CD2-CG1 4.35Å; F410-I477 HydrophobicContact CE2-CD1 4.31Å; F410-I477 HydrophobicContact CE2-CG1 3.82Å; F410-P478 HydrophobicContact CZ-CG 4.25Å
411	L	98.7	Very high	96.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.3	173.8	174.6	61	0	0	0	109.1	I268 L288 S396 Y397 W409 T413 W422 V441 L442	I268-L411 HydrophobicContact CB-CD1 4.11Å; I268-L411 HydrophobicContact CG1-CD1 4.06Å; L288-L411 HydrophobicContact CD1-CD2 4.37Å; L288-L411 HydrophobicContact CD2-CD2 3.89Å; S396-L411 CarbonylContact C-O 3.59Å; S396-L411 WeakPolarHBondContact CA-O 3.45Å; S396-L411 WeakPolarHBondContact CB-O 3.48Å; Y397-L411 HydrophobicContact CD2-CD2 4.26Å; Y397-L411 PolarHBondContact N-O 2.88Å; Y397-L411 PolarHBondContact O-N 3.22Å; W409-L411 HydrophobicContact CE3-CB 4.23Å; W409-L411 HydrophobicContact CZ3-CB 3.85Å; L411-T413 HydrophobicContact CD2-CG2 4.41Å; L411-T413 HydrophobicContact CG-CG2 4.29Å; L411-W422 HydrophobicContact CD2-CH2 3.52Å; L411-W422 HydrophobicContact CD2-CZ2 4.28Å; L411-W422 HydrophobicContact CD2-CZ3 4.48Å; L411-V441 WeakPolarHBondContact CD1-O 3.34Å; L411-L442 HydrophobicContact CB-CD1 4.01Å; L411-L442 HydrophobicContact CD1-CB 4.23Å
412	L	98.9	Very high	96.8	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.01	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	126	166.9	-177.1	68.3	0	0	0	108.7	T184 W200 I394 F410 G440 V441	T184-L412 HydrophobicContact CG2-CD1 3.7Å; T184-L412 HydrophobicContact CG2-CG 4.22Å; W200-L412 HydrophobicContact CB-CD2 4.42Å; I394-L412 HydrophobicContact CD1-CD1 3.83Å; I394-L412 HydrophobicContact CG1-CD1 3.81Å; F410-L412 HydrophobicContact CE1-CB 4.06Å; L412-G440 CarbonylContact O-C 3.52Å; L412-G440 WeakPolarHBondContact O-CA 3.34Å; L412-V441 HydrophobicContact CB-CG2 4.3Å; L412-V441 PolarHBondContact N-O 2.64Å; L412-V441 PolarHBondContact O-N 2.71Å
413	T	98.9	Very high	97.1	Very high	4 Å²	4	18 Å²	18	3%	0.025	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	168.7	-172.9	-175.9	0	0	0	0	112	T184 K395 Y397 L411 A415 W422 L439	T184-T413 WeakPolarHBondContact CG2-O 3.48Å; K395-T413 HydrophobicContact CB-CG2 4.25Å; K395-T413 WeakPolarHBondContact CB-O 3.33Å; K395-T413 PolarHBondContact O-N 3Å; Y397-T413 HydrophobicContact CD2-CG2 4.01Å; Y397-T413 HydrophobicContact CE2-CG2 3.77Å; L411-T413 HydrophobicContact CD2-CG2 4.41Å; L411-T413 HydrophobicContact CG-CG2 4.29Å; T413-A415 HydrophobicContact CG2-CB 3.88Å; T413-A415 PolarHBondContact OG1-N 2.87Å; T413-A415 VanDerWaalsContact OG1-N 3.1Å; T413-W422 HydrophobicContact CG2-CZ2 4.37Å; T413-L439 WeakPolarHBondContact CA-O 3.19Å; T413-L439 PolarHBondContact OG1-O 3.16Å
414	S	98.7	Very high	97.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	-82.7	-17	163.4	62	0	0	0	0	113	H166 N416 E438 L439	H166-S414 PolarHBondContact CE1-O 2.8Å; H166-S414 PolarHBondContact ND1-O 2.82Å; H166-S414 WeakPolarHBondContact O-CB 3.44Å; H166-S414 PolarHBondContact O-OG 2.8Å; S414-N416 PolarHBondContact O-N 2.87Å; S414-E438 WeakPolarHBondContact CB-OE2 3.49Å; S414-E438 WeakPolarHBondContact OG-CA 3.39Å; S414-E438 WeakPolarHBondContact OG-CB 3.23Å; S414-E438 PolarHBondContact OG-OE2 3.04Å; S414-L439 PolarHBondContact N-O 3.42Å; S414-L439 PolarHBondContact OG-N 2.9Å; S414-L439 PolarHBondContact OG-O 3.03Å
415	A	98.7	Very high	97.5	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.008	9%	0.088	C	C	.	.			trans	-68	115	-174.4	0	0	0	0	0	113.1	K395 Y397 T413 A421 W422 E438	K395-A415 WeakPolarHBondContact CB-O 3.39Å; Y397-A415 PolarHBondContact OH-O 2.75Å; T413-A415 HydrophobicContact CG2-CB 3.88Å; T413-A415 PolarHBondContact OG1-N 2.87Å; T413-A415 VanDerWaalsContact OG1-N 3.1Å; A415-A421 HydrophobicContact CB-CB 3.99Å; A415-W422 HydrophobicContact CB-CD2 4.39Å; A415-W422 HydrophobicContact CB-CZ2 3.99Å; A415-E438 HydrophobicContact CB-CB 4Å; A415-E438 HydrophobicContact CB-CG 3.91Å; A415-E438 PolarHBondContact N-OE2 3.39Å
416	N	98.5	Very high	97.6	Very high	15 Å²	15	17.1 Å²	17.1	8%	0.08	9%	0.086	C	C	.	.			trans	-77.3	170.1	169.8	-80.3	-57.8	0	0	0	112	H166 S310 S311 K395 S414 S418 W422	H166-N416 PolarHBondContact CE1-ND2 3.15Å; S310-N416 PolarHBondContact N-OD1 3.39Å; S310-N416 VanDerWaalsContact N-OD1 3.11Å; S311-N416 PolarHBondContact N-OD1 2.88Å; S311-N416 WeakPolarHBondContact O-CB 3.4Å; K395-N416 WeakPolarHBondContact CE-ND2 3.27Å; K395-N416 WeakPolarHBondContact CE-OD1 3.4Å; K395-N416 WeakPolarHBondContact CG-OD1 3.41Å; S414-N416 PolarHBondContact O-N 2.87Å; N416-S418 PolarHBondContact O-N 3.42Å; N416-W422 PolarHBondContact O-NE1 2.82Å; N416-W422 VanDerWaalsContact O-NE1 3.16Å
417	L	98.4	Very high	97.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-72.8	87.6	175.3	-174.2	66.4	0	0	0	111	F309 S311 G313 L315 W322 F323 W327 M341 Y397	F309-L417 HydrophobicContact CD1-CB 3.63Å; F309-L417 HydrophobicContact CD2-CB 3.84Å; F309-L417 HydrophobicContact CE1-CB 3.63Å; F309-L417 HydrophobicContact CE1-CD2 3.66Å; F309-L417 HydrophobicContact CE1-CG 4.13Å; F309-L417 HydrophobicContact CE2-CB 3.87Å; F309-L417 HydrophobicContact CE2-CD2 4.03Å; F309-L417 HydrophobicContact CG-CB 3.72Å; F309-L417 HydrophobicContact CZ-CB 3.74Å; F309-L417 HydrophobicContact CZ-CD2 3.35Å; F309-L417 HydrophobicContact CZ-CG 4.14Å; S311-L417 PolarHBondContact O-N 3.05Å; G313-L417 PolarHBondContact N-O 3.49Å; L315-L417 HydrophobicContact CD1-CD2 3.83Å; L315-L417 HydrophobicContact CD1-CG 4.15Å; L315-L417 HydrophobicContact CD2-CG 4.22Å; W322-L417 HydrophobicContact CH2-CD1 4.4Å; W322-L417 HydrophobicContact CZ3-CD1 4.03Å; F323-L417 HydrophobicContact CD2-CD1 4.26Å; F323-L417 HydrophobicContact CD2-CD2 4.32Å; F323-L417 HydrophobicContact CE2-CD1 4.22Å; F323-L417 HydrophobicContact CE2-CD2 3.95Å; W327-L417 HydrophobicContact CD2-CD1 4.14Å; W327-L417 HydrophobicContact CE3-CD1 4.27Å; W327-L417 HydrophobicContact CH2-CD1 3.85Å; W327-L417 HydrophobicContact CZ2-CD1 3.7Å; W327-L417 HydrophobicContact CZ3-CD1 4.13Å; M341-L417 HydrophobicContact SD-CD2 4.49Å; Y397-L417 PolarHBondContact OH-N 3.49Å
418	S	98.1	Very high	97.6	Very high	16 Å²	16	26.5 Å²	26.5	11%	0.112	14%	0.142	C	C	.	.	S	Bend	trans	-155.9	154.3	176.8	73.6	0	0	0	0	112.4	N416 S420 A421 W422	N416-S418 PolarHBondContact O-N 3.42Å; S418-S420 PolarHBondContact O-N 3.08Å; S418-S420 PolarHBondContact OG-N 3.41Å; S418-A421 PolarHBondContact O-N 2.93Å; S418-A421 WeakPolarHBondContact OG-CB 3.08Å; S418-A421 PolarHBondContact OG-N 2.94Å; S418-A421 VanDerWaalsContact OG-N 3.08Å; S418-W422 WeakPolarHBondContact O-CB 3.07Å; S418-W422 PolarHBondContact O-N 2.68Å
419	K	98	Very high	97.6	Very high	62 Å²	62	33.1 Å²	33.1	27%	0.27	17%	0.17	S	C	.	.	H	α-helix	trans	-62.2	-31.9	168.6	-64.8	178.5	-178.2	177.7	0	112.2	L315 W322 A421 G423 A424	L315-K419 WeakPolarHBondContact O-CE 3.18Å; L315-K419 PolarHBondContact O-NZ 3.14Å; W322-K419 VanDerWaalsContact CB-CE 3.45Å; W322-K419 HydrophobicContact CD2-CG 3.81Å; W322-K419 HydrophobicContact CE3-CG 4.32Å; W322-K419 HydrophobicContact CG-CD 4.34Å; W322-K419 VanDerWaalsContact CG-CE 3.5Å; W322-K419 HydrophobicContact CG-CG 4.04Å; W322-K419 HydrophobicContact CZ2-CG 4.24Å; K419-A421 PolarHBondContact O-N 3.33Å; K419-G423 CarbonylContact O-C 3.32Å; K419-G423 WeakPolarHBondContact O-CA 3.27Å; K419-G423 PolarHBondContact O-N 3.13Å; K419-A424 HydrophobicContact CB-CB 4.21Å; K419-A424 HydrophobicContact CD-CB 4.09Å; K419-A424 HydrophobicContact CG-CB 4.12Å
420	S	97.6	Very high	97.7	Very high	31 Å²	31	36.1 Å²	36.1	22%	0.217	19%	0.192	C	C	.	.	H	α-helix	trans	-63	-41.9	179.2	-63.9	0	0	0	0	112.4	S418 R435 S436	S418-S420 PolarHBondContact O-N 3.08Å; S418-S420 PolarHBondContact OG-N 3.41Å; S420-R435 PolarHBondContact O-N 3.26Å; S420-S436 PolarHBondContact O-N 3.09Å
421	A	98.3	Very high	97.7	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.008	20%	0.197	C	C	.	.	H	α-helix	trans	-81.1	-46.2	-179	0	0	0	0	0	112.3	S270 A415 S418 K419 E438	S270-A421 WeakPolarHBondContact CB-O 3.22Å; S270-A421 PolarHBondContact OG-O 3.07Å; A415-A421 HydrophobicContact CB-CB 3.99Å; S418-A421 PolarHBondContact O-N 2.93Å; S418-A421 WeakPolarHBondContact OG-CB 3.08Å; S418-A421 PolarHBondContact OG-N 2.94Å; S418-A421 VanDerWaalsContact OG-N 3.08Å; K419-A421 PolarHBondContact O-N 3.33Å; A421-E438 HydrophobicContact CB-CG 3.88Å; A421-E438 VanDerWaalsContact CB-OE1 3.3Å; A421-E438 WeakPolarHBondContact CB-OE1 3.15Å
422	W	98.5	Very high	97.6	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.008	20%	0.197	C	C	.	.	H	α-helix	trans	-91.4	-26.3	-171.6	-77.6	106.1	0	0	0	114.7	G284 H285 L288 W322 W327 Y397 L411 T413 A415 N416 S418	G284-W422 CarbonylContact C-O 3.51Å; G284-W422 VanDerWaalsContact CA-O 3.26Å; G284-W422 WeakPolarHBondContact CA-O 3.26Å; H285-W422 HydrophobicContact CB-CB 4.33Å; H285-W422 HydrophobicContact CB-CD2 4.48Å; H285-W422 HydrophobicContact CB-CE3 3.76Å; H285-W422 HydrophobicContact CB-CZ3 4.43Å; H285-W422 PolarHBondContact CD2-O 3.07Å; H285-W422 PolarHBondContact N-O 3.17Å; L288-W422 HydrophobicContact CB-CZ3 4.5Å; L288-W422 HydrophobicContact CD2-CH2 3.99Å; L288-W422 HydrophobicContact CD2-CZ3 4.05Å; W322-W422 HydrophobicContact CH2-CB 4.02Å; W322-W422 HydrophobicContact CH2-CG 4.41Å; W322-W422 HydrophobicContact CZ2-CB 3.74Å; W327-W422 AromaticContact CD1-CG 3.86Å; W327-W422 AromaticContact NE1-CD1 3.69Å; W327-W422 AromaticContact NE1-CD2 3.7Å; W327-W422 AromaticContact NE1-CE2 3.81Å; W327-W422 AromaticContact NE1-CG 3.61Å; W327-W422 AromaticContact NE1-NE1 3.81Å; Y397-W422 HydrophobicContact CD2-CH2 4.46Å; Y397-W422 AromaticContact CD2-CZ2 3.79Å; Y397-W422 HydrophobicContact CD2-CZ2 3.79Å; Y397-W422 AromaticContact CE2-CZ2 3.5Å; Y397-W422 HydrophobicContact CE2-CZ2 3.5Å; Y397-W422 VanDerWaalsContact CE2-CZ2 3.5Å; Y397-W422 HydrophobicContact CG-CZ2 4.42Å; Y397-W422 AromaticContact CZ-CZ2 3.88Å; Y397-W422 AromaticContact CZ-NE1 3.84Å; Y397-W422 PolarHBondContact OH-NE1 3.15Å; L411-W422 HydrophobicContact CD2-CH2 3.52Å; L411-W422 HydrophobicContact CD2-CZ2 4.28Å; L411-W422 HydrophobicContact CD2-CZ3 4.48Å; T413-W422 HydrophobicContact CG2-CZ2 4.37Å; A415-W422 HydrophobicContact CB-CD2 4.39Å; A415-W422 HydrophobicContact CB-CZ2 3.99Å; N416-W422 PolarHBondContact O-NE1 2.82Å; N416-W422 VanDerWaalsContact O-NE1 3.16Å; S418-W422 WeakPolarHBondContact O-CB 3.07Å; S418-W422 PolarHBondContact O-N 2.68Å
423	G	98.2	Very high	97.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.202	C	C	.	.			trans	99.2	157.4	-173	0	0	0	0	0	113.8	H285 W322 K419 M433	H285-G423 PolarHBondContact CD2-O 3.38Å; W322-G423 WeakPolarHBondContact CZ2-O 3.22Å; W322-G423 PolarHBondContact NE1-O 3.4Å; K419-G423 CarbonylContact O-C 3.32Å; K419-G423 WeakPolarHBondContact O-CA 3.27Å; K419-G423 PolarHBondContact O-N 3.13Å; G423-M433 CarbonylContact C-O 3.44Å; G423-M433 WeakPolarHBondContact CA-O 3.4Å
424	A	98.3	Very high	97.6	Very high	19 Å²	19	38 Å²	38	16%	0.157	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	139.8	169.1	0	0	0	0	0	110.9	E326 K419 M433	E326-A424 WeakPolarHBondContact OE1-CA 3.29Å; K419-A424 HydrophobicContact CB-CB 4.21Å; K419-A424 HydrophobicContact CD-CB 4.09Å; K419-A424 HydrophobicContact CG-CB 4.12Å; A424-M433 PolarHBondContact N-O 2.95Å; A424-M433 PolarHBondContact O-N 2.88Å
425	Y	98.1	Very high	97.6	Very high	69 Å²	69	41 Å²	41	27%	0.271	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	140.2	175.9	-76.3	-54.2	0	0	0	111.6	L280 T286 E326 K429 Q431 L432	L280-Y425 HydrophobicContact CD1-CD1 4.45Å; L280-Y425 HydrophobicContact CD1-CE1 4.1Å; L280-Y425 HydrophobicContact CD2-CE1 4.39Å; L280-Y425 HydrophobicContact CG-CE1 4.29Å; T286-Y425 HydrophobicContact CG2-CE1 3.94Å; T286-Y425 VanDerWaalsContact CG2-OH 3.24Å; T286-Y425 WeakPolarHBondContact CG2-OH 3.36Å; E326-Y425 HydrophobicContact CG-CD2 3.53Å; E326-Y425 HydrophobicContact CG-CE2 3.82Å; E326-Y425 PolarHBondContact OE1-N 3.17Å; E326-Y425 WeakPolarHBondContact OE2-CB 3.42Å; E326-Y425 VanDerWaalsContact OE2-CD2 3.32Å; E326-Y425 WeakPolarHBondContact OE2-CD2 3.21Å; E326-Y425 PolarHBondContact OE2-N 3.22Å; Y425-K429 HydrophobicContact CD1-CB 4.02Å; Y425-K429 HydrophobicContact CD1-CG 4.5Å; Y425-K429 HydrophobicContact CD2-CB 4.16Å; Y425-K429 HydrophobicContact CD2-CD 4.12Å; Y425-K429 HydrophobicContact CD2-CG 3.83Å; Y425-K429 HydrophobicContact CE1-CB 4.4Å; Y425-K429 HydrophobicContact CE2-CD 4.39Å; Y425-K429 HydrophobicContact CE2-CG 4.45Å; Y425-K429 HydrophobicContact CG-CB 3.92Å; Y425-K429 HydrophobicContact CG-CG 3.89Å; Y425-Q431 CarbonylContact C-O 3.6Å; Y425-Q431 WeakPolarHBondContact CA-O 3.25Å; Y425-L432 HydrophobicContact CD1-CB 4.42Å; Y425-L432 HydrophobicContact CD1-CD1 4.1Å; Y425-L432 HydrophobicContact CE1-CD1 4.31Å
426	E	96.7	Very high	97.6	Very high	55 Å²	55	41.2 Å²	41.2	26%	0.257	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	171.2	169	-63	-166.3	116.8	0	0	109.7	R274 S428 K429 S430 Q431 M433	R274-E426 IonicContact CZ-OE2 2.68Å; R274-E426 IonicContact NE-OE2 3.52Å; R274-E426 PolarHBondContact NE-OE2 3.26Å; R274-E426 IonicContact NH2-OE2 2.85Å; E426-S428 PolarHBondContact O-N 2.92Å; E426-K429 PolarHBondContact O-N 3.49Å; E426-S430 PolarHBondContact O-N 3.23Å; E426-Q431 HydrophobicContact CB-CB 4.42Å; E426-Q431 PolarHBondContact N-O 3.25Å; E426-Q431 PolarHBondContact O-N 3.21Å; E426-M433 HydrophobicContact CG-CB 4.09Å; E426-M433 HydrophobicContact CG-CE 3.87Å; E426-M433 WeakPolarHBondContact OE1-CE 3.16Å; E426-M433 WeakPolarHBondContact OE2-CE 3.43Å
427	K	94.9	Very high	97.6	Very high	147 Å²	147	40.5 Å²	40.5	64%	0.639	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	48	54	171.4	-58.3	-176	-177.7	-176.5	0	112.9	K429 S430 Q431	K427-K429 VanDerWaalsContact C-N 3.29Å; K427-K429 PolarHBondContact O-N 3.01Å; K427-S430 WeakPolarHBondContact CB-OG 3.16Å; K427-S430 WeakPolarHBondContact O-CB 3.23Å; K427-S430 PolarHBondContact O-N 3.32Å; K427-S430 VanDerWaalsContact O-N 3.16Å; K427-S430 PolarHBondContact O-OG 3.2Å; K427-Q431 HydrophobicContact CD-CB 4.49Å; K427-Q431 VanDerWaalsContact CE-OE1 3.29Å
428	S	94	Very high	97.6	Very high	128 Å²	128	40.8 Å²	40.8	90%	0.895	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	54.7	41.8	-179.4	-53.6	0	0	0	0	113.7	E426 S430	E426-S428 PolarHBondContact O-N 2.92Å; S428-S430 VanDerWaalsContact C-N 3.25Å; S428-S430 PolarHBondContact O-N 3.11Å
429	K	94.9	Very high	97.6	Very high	139 Å²	139	40 Å²	40	60%	0.604	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	69	10.4	179.5	-48.3	-178.6	179.2	179.6	0	115.9	Y425 E426 K427 Q431	Y425-K429 HydrophobicContact CD1-CB 4.02Å; Y425-K429 HydrophobicContact CD1-CG 4.5Å; Y425-K429 HydrophobicContact CD2-CB 4.16Å; Y425-K429 HydrophobicContact CD2-CD 4.12Å; Y425-K429 HydrophobicContact CD2-CG 3.83Å; Y425-K429 HydrophobicContact CE1-CB 4.4Å; Y425-K429 HydrophobicContact CE2-CD 4.39Å; Y425-K429 HydrophobicContact CE2-CG 4.45Å; Y425-K429 HydrophobicContact CG-CB 3.92Å; Y425-K429 HydrophobicContact CG-CG 3.89Å; E426-K429 PolarHBondContact O-N 3.49Å; K427-K429 VanDerWaalsContact C-N 3.29Å; K427-K429 PolarHBondContact O-N 3.01Å; K429-Q431 VanDerWaalsContact C-N 3.27Å
430	S	96.7	Very high	97.6	Very high	67 Å²	67	37 Å²	37	47%	0.469	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-10.4	172.9	64.4	0	0	0	0	113.5	E426 K427 S428	E426-S430 PolarHBondContact O-N 3.23Å; K427-S430 WeakPolarHBondContact CB-OG 3.16Å; K427-S430 WeakPolarHBondContact O-CB 3.23Å; K427-S430 PolarHBondContact O-N 3.32Å; K427-S430 VanDerWaalsContact O-N 3.16Å; K427-S430 PolarHBondContact O-OG 3.2Å; S428-S430 VanDerWaalsContact C-N 3.25Å; S428-S430 PolarHBondContact O-N 3.11Å
431	Q	98.1	Very high	97.7	Very high	24 Å²	24	35.6 Å²	35.6	11%	0.112	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	142.1	-178.5	179.5	164.6	73.9	0	0	110.3	R274 H275 Y425 E426 K427 K429	R274-Q431 HydrophobicContact CB-CG 4.01Å; R274-Q431 HydrophobicContact CG-CG 4.47Å; H275-Q431 CarbonylContact O-C 3.39Å; H275-Q431 VanDerWaalsContact O-CA 3.31Å; H275-Q431 WeakPolarHBondContact O-CA 3.36Å; Y425-Q431 CarbonylContact C-O 3.6Å; Y425-Q431 WeakPolarHBondContact CA-O 3.25Å; E426-Q431 HydrophobicContact CB-CB 4.42Å; E426-Q431 PolarHBondContact N-O 3.25Å; E426-Q431 PolarHBondContact O-N 3.21Å; K427-Q431 HydrophobicContact CD-CB 4.49Å; K427-Q431 VanDerWaalsContact CE-OE1 3.29Å; K429-Q431 VanDerWaalsContact C-N 3.27Å
432	L	98.4	Very high	97.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.3	172.8	-177.2	74.6	0	0	0	108.9	R274 H275 L280 H285 T286 Y425 I434	R274-L432 CarbonylContact C-O 3.49Å; R274-L432 WeakPolarHBondContact CA-O 3.21Å; H275-L432 PolarHBondContact N-O 3.32Å; H275-L432 PolarHBondContact O-N 3.27Å; L280-L432 HydrophobicContact CD1-CB 3.87Å; H285-L432 WeakPolarHBondContact NE2-CD1 3.5Å; T286-L432 HydrophobicContact CG2-CD1 4.1Å; T286-L432 HydrophobicContact CG2-CD2 3.86Å; T286-L432 WeakPolarHBondContact OG1-CD2 3.42Å; Y425-L432 HydrophobicContact CD1-CB 4.42Å; Y425-L432 HydrophobicContact CD1-CD1 4.1Å; Y425-L432 HydrophobicContact CE1-CD1 4.31Å; L432-I434 HydrophobicContact CD2-CD1 3.85Å; L432-I434 HydrophobicContact CD2-CG1 4.02Å; L432-I434 HydrophobicContact CG-CG1 4.16Å
433	M	98.3	Very high	97.7	Very high	23 Å²	23	35.4 Å²	35.4	11%	0.113	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	118.9	174.8	-172.4	-145.5	-50	0	0	110.1	L160 R274 G423 A424 E426 R435	L160-M433 HydrophobicContact CD1-CG 3.6Å; L160-M433 HydrophobicContact CD1-SD 4.22Å; R274-M433 HydrophobicContact CG-CB 4.34Å; R274-M433 HydrophobicContact CG-CG 4.14Å; G423-M433 CarbonylContact C-O 3.44Å; G423-M433 WeakPolarHBondContact CA-O 3.4Å; A424-M433 PolarHBondContact N-O 2.95Å; A424-M433 PolarHBondContact O-N 2.88Å; E426-M433 HydrophobicContact CG-CB 4.09Å; E426-M433 HydrophobicContact CG-CE 3.87Å; E426-M433 WeakPolarHBondContact OE1-CE 3.16Å; E426-M433 WeakPolarHBondContact OE2-CE 3.43Å; M433-R435 HydrophobicContact SD-CG 4.18Å; M433-R435 PolarHBondContact SD-NH2 2.68Å; M433-R435 VanDerWaalsContact SD-NH2 3.43Å
434	I	98.5	Very high	97.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130	173.5	-61	174.6	0	0	0	107.4	L160 V271 S272 G273 F283 L432 S436	L160-I434 WeakPolarHBondContact CD1-O 3.24Å; V271-I434 WeakPolarHBondContact O-CB 3.23Å; V271-I434 WeakPolarHBondContact O-CG2 3.35Å; S272-I434 CarbonylContact C-O 3.47Å; S272-I434 WeakPolarHBondContact CA-O 3.19Å; G273-I434 PolarHBondContact N-O 3.38Å; G273-I434 PolarHBondContact O-N 2.86Å; G273-I434 VanDerWaalsContact O-O 3.07Å; F283-I434 HydrophobicContact CB-CD1 3.65Å; L432-I434 HydrophobicContact CD2-CD1 3.85Å; L432-I434 HydrophobicContact CD2-CG1 4.02Å; L432-I434 HydrophobicContact CG-CG1 4.16Å; I434-S436 WeakPolarHBondContact CG2-O 3.46Å
435	R	98	Very high	97.4	Very high	63 Å²	63	34.6 Å²	34.6	24%	0.238	18%	0.175	C	C	.	.			trans	-94.1	-30.9	-177.4	-61	178.8	179.7	-90	-3.8	113.1	L160 P161 G163 S272 S420 M433	L160-R435 HydrophobicContact CB-CG 4.34Å; L160-R435 HydrophobicContact CD1-CG 4.31Å; P161-R435 PolarHBondContact O-NH1 3.01Å; G163-R435 WeakPolarHBondContact CA-O 3.44Å; S272-R435 WeakPolarHBondContact CB-O 3.18Å; S272-R435 PolarHBondContact OG-O 3.28Å; S272-R435 VanDerWaalsContact OG-O 3.07Å; S420-R435 PolarHBondContact O-N 3.26Å; M433-R435 HydrophobicContact SD-CG 4.18Å; M433-R435 PolarHBondContact SD-NH2 2.68Å; M433-R435 VanDerWaalsContact SD-NH2 3.43Å
436	S	98.1	Very high	97.1	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.028	18%	0.175	C	C	.	.	S	Bend	trans	-113.8	154.1	-169.7	-54.5	0	0	0	0	112.3	V164 S420 I434	V164-S436 PolarHBondContact N-OG 3.12Å; V164-S436 CarbonylContact O-C 3.57Å; V164-S436 WeakPolarHBondContact O-CA 3.43Å; V164-S436 VanDerWaalsContact O-CB 3.24Å; V164-S436 WeakPolarHBondContact O-CB 3.18Å; S420-S436 PolarHBondContact O-N 3.09Å; I434-S436 WeakPolarHBondContact CG2-O 3.46Å
437	Y	98.6	Very high	97	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-85.4	126.1	165.4	-68	-91.1	0	0	0	110	D157 I158 V164 H166 T167 Y232 S235 Y236 S270 V271 S272	D157-Y437 WeakPolarHBondContact O-CE2 3.41Å; D157-Y437 PolarHBondContact O-OH 2.88Å; I158-Y437 HydrophobicContact CD1-CD2 3.61Å; I158-Y437 HydrophobicContact CD1-CE2 3.77Å; V164-Y437 PolarHBondContact O-N 2.91Å; H166-Y437 CarbonylContact C-O 3.51Å; H166-Y437 WeakPolarHBondContact CA-O 3.37Å; H166-Y437 PolarHBondContact N-O 2.95Å; T167-Y437 PolarHBondContact N-O 2.76Å; T167-Y437 VanDerWaalsContact N-O 3.09Å; T167-Y437 PolarHBondContact OG1-O 3.37Å; Y232-Y437 HydrophobicContact CE2-CD1 4.02Å; S235-Y437 PolarHBondContact O-OH 2.96Å; S235-Y437 WeakPolarHBondContact OG-CE1 3.41Å; Y236-Y437 HydrophobicContact CD2-CE1 4.39Å; Y236-Y437 HydrophobicContact CE2-CD1 4.22Å; Y236-Y437 HydrophobicContact CE2-CE1 4.34Å; S270-Y437 VanDerWaalsContact O-CA 3.27Å; S270-Y437 WeakPolarHBondContact O-CA 3.42Å; V271-Y437 HydrophobicContact CB-CD1 4.45Å; V271-Y437 HydrophobicContact CB-CE1 4.24Å; V271-Y437 HydrophobicContact CG1-CE1 3.84Å; V271-Y437 HydrophobicContact CG2-CD1 4.33Å; V271-Y437 HydrophobicContact CG2-CE1 4.29Å; S272-Y437 VanDerWaalsContact CB-CE2 3.46Å
438	E	98.7	Very high	96.9	Very high	6 Å²	6	26.6 Å²	26.6	3%	0.028	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	156.1	176.9	-53.6	-77.4	-169.7	0	0	109	H166 T167 A269 S270 S414 A415 A421	H166-E438 WeakPolarHBondContact CB-OE2 3.38Å; H166-E438 IonicContact CG-OE1 2.73Å; H166-E438 IonicContact CG-OE2 3.64Å; H166-E438 IonicContact ND1-OE1 2.72Å; H166-E438 PolarHBondContact ND1-OE1 2.98Å; H166-E438 IonicContact ND1-OE2 3.98Å; H166-E438 PolarHBondContact ND1-OE2 2.75Å; T167-E438 WeakPolarHBondContact OG1-CA 3.31Å; T167-E438 PolarHBondContact OG1-N 3.1Å; A269-E438 WeakPolarHBondContact CA-O 3.27Å; S270-E438 PolarHBondContact N-O 2.84Å; S270-E438 PolarHBondContact O-N 2.87Å; S414-E438 WeakPolarHBondContact CB-OE2 3.49Å; S414-E438 WeakPolarHBondContact OG-CA 3.39Å; S414-E438 WeakPolarHBondContact OG-CB 3.23Å; S414-E438 PolarHBondContact OG-OE2 3.04Å; A415-E438 HydrophobicContact CB-CB 4Å; A415-E438 HydrophobicContact CB-CG 3.91Å; A415-E438 PolarHBondContact N-OE2 3.39Å; A421-E438 HydrophobicContact CB-CG 3.88Å; A421-E438 VanDerWaalsContact CB-OE1 3.3Å; A421-E438 WeakPolarHBondContact CB-OE1 3.15Å
439	L	98.8	Very high	96.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	140.9	175.5	-157.7	67.4	0	0	0	110.5	T167 M169 I182 Y232 L267 A269 T413 S414	T167-L439 HydrophobicContact CG2-CB 3.68Å; T167-L439 HydrophobicContact CG2-CD2 4.13Å; M169-L439 HydrophobicContact CB-CD2 4.07Å; M169-L439 HydrophobicContact CE-CD2 4.38Å; M169-L439 HydrophobicContact CG-CD2 4.19Å; M169-L439 HydrophobicContact SD-CD2 3.39Å; M169-L439 WeakPolarHBondContact SD-CD2 3.25Å; I182-L439 HydrophobicContact CD1-CD2 3.81Å; I182-L439 HydrophobicContact CD1-CG 4.11Å; I182-L439 HydrophobicContact CG1-CD2 4.08Å; Y232-L439 HydrophobicContact CD1-CD1 4.08Å; Y232-L439 HydrophobicContact CD2-CD1 4.14Å; Y232-L439 HydrophobicContact CE1-CD1 4.18Å; Y232-L439 HydrophobicContact CE1-CD2 4.35Å; Y232-L439 HydrophobicContact CE2-CD1 4.18Å; Y232-L439 HydrophobicContact CG-CD1 4.06Å; L267-L439 HydrophobicContact CD1-CD1 3.81Å; L267-L439 HydrophobicContact CD1-CD2 4.31Å; L267-L439 HydrophobicContact CD1-CG 3.98Å; L267-L439 HydrophobicContact CD2-CD1 4.07Å; L267-L439 HydrophobicContact CG-CD1 3.96Å; A269-L439 HydrophobicContact CB-CD1 3.58Å; T413-L439 WeakPolarHBondContact CA-O 3.19Å; T413-L439 PolarHBondContact OG1-O 3.16Å; S414-L439 PolarHBondContact N-O 3.42Å; S414-L439 PolarHBondContact OG-N 2.9Å; S414-L439 PolarHBondContact OG-O 3.03Å
440	G	98.9	Very high	96.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	170.9	177.4	0	0	0	0	0	112.5	I268 L412	I268-G440 PolarHBondContact N-O 2.63Å; I268-G440 PolarHBondContact O-N 2.62Å; L412-G440 CarbonylContact O-C 3.52Å; L412-G440 WeakPolarHBondContact O-CA 3.34Å
441	V	98.8	Very high	95.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	128.7	179.5	-69.3	0	0	0	0	110.8	I182 W200 F225 V265 V266 L267 L411 L412 F443	I182-V441 HydrophobicContact CB-CG1 4.43Å; I182-V441 HydrophobicContact CD1-CG1 3.52Å; W200-V441 HydrophobicContact CB-CG2 3.58Å; W200-V441 HydrophobicContact CD2-CB 4.4Å; W200-V441 HydrophobicContact CD2-CG1 3.95Å; W200-V441 HydrophobicContact CD2-CG2 4.05Å; W200-V441 HydrophobicContact CE3-CG1 3.63Å; W200-V441 HydrophobicContact CE3-CG2 4.35Å; W200-V441 HydrophobicContact CG-CG2 3.73Å; W200-V441 HydrophobicContact CZ3-CG1 3.94Å; F225-V441 HydrophobicContact CE2-CG1 4.17Å; V265-V441 HydrophobicContact CB-CB 4.01Å; V265-V441 HydrophobicContact CB-CG1 4.42Å; V265-V441 HydrophobicContact CG1-CB 4.41Å; V265-V441 HydrophobicContact CG2-CB 3.88Å; V265-V441 HydrophobicContact CG2-CG1 3.75Å; V266-V441 WeakPolarHBondContact O-CA 3.17Å; L267-V441 HydrophobicContact CD1-CG1 4.44Å; L411-V441 WeakPolarHBondContact CD1-O 3.34Å; L412-V441 HydrophobicContact CB-CG2 4.3Å; L412-V441 PolarHBondContact N-O 2.64Å; L412-V441 PolarHBondContact O-N 2.71Å; V441-F443 HydrophobicContact CG2-CE2 3.75Å; V441-F443 HydrophobicContact CG2-CZ 4.1Å
442	L	98.6	Very high	95.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.3	177.8	179.8	72.5	0	0	0	109.8	V265 V266 I268 L288 V291 L292 W409 F410 L411 L444	V265-L442 WeakPolarHBondContact CA-O 3.32Å; V266-L442 HydrophobicContact CB-CB 4.24Å; V266-L442 PolarHBondContact N-O 2.85Å; V266-L442 PolarHBondContact O-N 3.26Å; I268-L442 HydrophobicContact CD1-CB 4.38Å; I268-L442 HydrophobicContact CD1-CD2 4.34Å; I268-L442 HydrophobicContact CG1-CB 3.79Å; L288-L442 HydrophobicContact CD1-CD1 3.94Å; L288-L442 HydrophobicContact CD1-CD2 3.89Å; L288-L442 HydrophobicContact CD1-CG 4.49Å; V291-L442 HydrophobicContact CB-CD2 4.34Å; V291-L442 HydrophobicContact CG1-CD2 3.58Å; L292-L442 HydrophobicContact CD2-CD2 4.2Å; W409-L442 HydrophobicContact CB-CD1 4.2Å; W409-L442 HydrophobicContact CD2-CD1 4.2Å; W409-L442 HydrophobicContact CE3-CD1 3.6Å; W409-L442 HydrophobicContact CG-CD1 4.49Å; W409-L442 HydrophobicContact CZ3-CD1 4.35Å; F410-L442 WeakPolarHBondContact O-CA 3.25Å; L411-L442 HydrophobicContact CB-CD1 4.01Å; L411-L442 HydrophobicContact CD1-CB 4.23Å; L442-L444 HydrophobicContact CD2-CD1 4.39Å; L442-L444 HydrophobicContact CD2-CD2 3.92Å; L442-L444 HydrophobicContact CD2-CG 4.14Å; L442-L444 HydrophobicContact CG-CD2 4.13Å; L442-L444 HydrophobicContact CG-CG 4.2Å
443	F	97.7	Very high	95.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	122.8	173.3	-60	-98.4	0	0	0	108.8	Y68 I70 W200 V265 W409 F410 V441 Y448 F455 F475	Y68-F443 WeakPolarHBondContact O-CE1 3.39Å; I70-F443 HydrophobicContact CB-CE1 4.33Å; I70-F443 HydrophobicContact CB-CZ 3.97Å; I70-F443 HydrophobicContact CD1-CE2 3.99Å; I70-F443 HydrophobicContact CD1-CZ 4.04Å; I70-F443 HydrophobicContact CG1-CZ 4.27Å; W200-F443 HydrophobicContact CB-CZ 4.31Å; W200-F443 AromaticContact CD1-CE1 3.91Å; W200-F443 AromaticContact CD1-CZ 3.55Å; W200-F443 HydrophobicContact CG-CZ 4.11Å; V265-F443 HydrophobicContact CG1-CD1 3.65Å; V265-F443 HydrophobicContact CG1-CE1 3.48Å; V265-F443 VanDerWaalsContact CG1-CE1 3.48Å; V265-F443 HydrophobicContact CG1-CE2 4.4Å; V265-F443 HydrophobicContact CG1-CG 4.18Å; V265-F443 HydrophobicContact CG1-CZ 3.9Å; W409-F443 WeakPolarHBondContact CA-O 3.45Å; W409-F443 WeakPolarHBondContact CB-O 3.21Å; F410-F443 HydrophobicContact CB-CB 4.28Å; F410-F443 HydrophobicContact CB-CD2 4.42Å; F410-F443 AromaticContact CD1-CD2 3.96Å; F410-F443 HydrophobicContact CD1-CD2 3.96Å; F410-F443 HydrophobicContact CD1-CE2 4.28Å; F410-F443 PolarHBondContact N-O 3.08Å; F410-F443 WeakPolarHBondContact O-CD2 3.13Å; F410-F443 PolarHBondContact O-N 3.17Å; V441-F443 HydrophobicContact CG2-CE2 3.75Å; V441-F443 HydrophobicContact CG2-CZ 4.1Å; F443-Y448 HydrophobicContact CD1-CE2 4.21Å; F443-Y448 WeakPolarHBondContact CD1-OH 3.12Å; F443-F455 HydrophobicContact CB-CE2 4.09Å; F443-F455 HydrophobicContact CB-CZ 4.13Å; F443-F475 HydrophobicContact CB-CE2 3.93Å; F443-F475 HydrophobicContact CB-CZ 4.1Å; F443-F475 AromaticContact CD1-CE2 3.7Å; F443-F475 HydrophobicContact CD1-CE2 3.7Å; F443-F475 AromaticContact CD1-CZ 3.99Å; F443-F475 HydrophobicContact CD1-CZ 3.99Å; F443-F475 HydrophobicContact CD2-CE2 4.49Å; F443-F475 HydrophobicContact CD2-CZ 4.01Å; F443-F475 HydrophobicContact CE1-CE2 4.33Å; F443-F475 HydrophobicContact CE1-CZ 4.44Å; F443-F475 HydrophobicContact CE2-CZ 4.45Å; F443-F475 AromaticContact CG-CE2 3.79Å; F443-F475 HydrophobicContact CG-CE2 3.79Å; F443-F475 AromaticContact CG-CZ 3.77Å; F443-F475 HydrophobicContact CG-CZ 3.77Å
444	L	95.7	Very high	94.8	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.151	C	C	.	.			trans	-116.7	130.4	176.5	-64.6	172	0	0	0	108.8	V266 V291 L292 C295 W409 L442 T446 N447 Y448 F455	V266-L444 HydrophobicContact CG2-CD1 3.8Å; V291-L444 HydrophobicContact CG1-CD1 4.07Å; L292-L444 HydrophobicContact CD2-CD2 4.19Å; C295-L444 HydrophobicContact CB-CD1 3.69Å; C295-L444 HydrophobicContact CB-CD2 4.43Å; W409-L444 HydrophobicContact CB-CD2 4.09Å; L442-L444 HydrophobicContact CD2-CD1 4.39Å; L442-L444 HydrophobicContact CD2-CD2 3.92Å; L442-L444 HydrophobicContact CD2-CG 4.14Å; L442-L444 HydrophobicContact CG-CD2 4.13Å; L442-L444 HydrophobicContact CG-CG 4.2Å; L444-T446 PolarHBondContact O-N 2.99Å; L444-N447 WeakPolarHBondContact O-CB 3.41Å; L444-N447 PolarHBondContact O-N 3.33Å; L444-Y448 WeakPolarHBondContact O-CD2 3.22Å; L444-F455 VanDerWaalsContact C-CZ 3.49Å
445	P	93.8	Very high	94.6	Very high	1 Å²	1	29 Å²	29	1%	0.006	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-54.7	-40.6	-179.4	-25.6	32.8	0	0	0	113.1	G408 N447 Y448 K449 A452 F455 L473	G408-P445 VanDerWaalsContact O-CD 3.26Å; G408-P445 WeakPolarHBondContact O-CD 3.28Å; G408-P445 WeakPolarHBondContact O-CG 3.39Å; P445-N447 PolarHBondContact O-N 2.58Å; P445-Y448 PolarHBondContact O-N 3.34Å; P445-K449 PolarHBondContact O-N 3.24Å; P445-A452 HydrophobicContact CB-CB 3.85Å; P445-A452 WeakPolarHBondContact CB-O 3.16Å; P445-F455 VanDerWaalsContact CA-CZ 3.48Å; P445-F455 HydrophobicContact CB-CD1 4.4Å; P445-F455 HydrophobicContact CB-CE1 4.13Å; P445-F455 HydrophobicContact CB-CE2 4.42Å; P445-F455 HydrophobicContact CB-CZ 4.15Å; P445-F455 HydrophobicContact CG-CD1 4.3Å; P445-F455 HydrophobicContact CG-CD2 3.76Å; P445-F455 HydrophobicContact CG-CE1 4.18Å; P445-F455 HydrophobicContact CG-CE2 3.63Å; P445-F455 HydrophobicContact CG-CG 4.11Å; P445-F455 HydrophobicContact CG-CZ 3.85Å; P445-F455 VanDerWaalsContact N-CZ 3.31Å; P445-L473 HydrophobicContact CB-CD1 4.38Å
446	T	92.8	Very high	94.4	Very high	44 Å²	44	27.9 Å²	27.9	27%	0.27	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-59.6	-26.8	179	49.5	0	0	0	0	114	L444 Y448 K449 A452	L444-T446 PolarHBondContact O-N 2.99Å; T446-Y448 PolarHBondContact O-N 2.72Å; T446-K449 WeakPolarHBondContact CA-O 3.47Å; T446-A452 VanDerWaalsContact CG2-O 3.26Å; T446-A452 WeakPolarHBondContact CG2-O 3.47Å
447	N	94.2	Very high	94.1	Very high	46 Å²	46	28.3 Å²	28.3	25%	0.246	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-75.8	-14.9	176.9	-65.7	-4.2	0	0	0	112.8	T223 K264 L444 P445	T223-N447 WeakPolarHBondContact CG2-ND2 3.38Å; K264-N447 HydrophobicContact CB-CB 4.38Å; K264-N447 VanDerWaalsContact O-CB 3.25Å; K264-N447 WeakPolarHBondContact O-CB 3.26Å; K264-N447 PolarHBondContact O-ND2 2.94Å; L444-N447 WeakPolarHBondContact O-CB 3.41Å; L444-N447 PolarHBondContact O-N 3.33Å; P445-N447 PolarHBondContact O-N 2.58Å
448	Y	92.4	Very high	93.7	Very high	12 Å²	12	29 Å²	29	5%	0.047	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-35	178.1	-66	-89.8	0	0	0	112.1	F67 Y68 K264 F443 L444 P445 T446 F455 S468	F67-Y448 HydrophobicContact CD1-CD1 4.14Å; F67-Y448 AromaticContact CE1-CD1 3.54Å; F67-Y448 HydrophobicContact CE1-CD1 3.54Å; F67-Y448 HydrophobicContact CE1-CE1 4.39Å; F67-Y448 HydrophobicContact CE1-CG 4.18Å; F67-Y448 AromaticContact CZ-CD1 3.8Å; F67-Y448 HydrophobicContact CZ-CD1 3.8Å; F67-Y448 HydrophobicContact CZ-CG 4.48Å; Y68-Y448 AromaticContact CD1-CD1 3.7Å; Y68-Y448 HydrophobicContact CD1-CD1 3.7Å; Y68-Y448 HydrophobicContact CD1-CD2 4.17Å; Y68-Y448 AromaticContact CD1-CE1 3.38Å; Y68-Y448 HydrophobicContact CD1-CE1 3.38Å; Y68-Y448 AromaticContact CD1-CE2 3.89Å; Y68-Y448 HydrophobicContact CD1-CE2 3.89Å; Y68-Y448 HydrophobicContact CD1-CG 4.1Å; Y68-Y448 AromaticContact CD1-CZ 3.49Å; Y68-Y448 VanDerWaalsContact CD1-CZ 3.49Å; Y68-Y448 AromaticContact CE1-CD1 3.67Å; Y68-Y448 HydrophobicContact CE1-CD1 3.67Å; Y68-Y448 AromaticContact CE1-CD2 3.99Å; Y68-Y448 HydrophobicContact CE1-CD2 3.99Å; Y68-Y448 AromaticContact CE1-CE1 3.87Å; Y68-Y448 HydrophobicContact CE1-CE1 3.87Å; Y68-Y448 HydrophobicContact CE1-CE2 4.18Å; Y68-Y448 AromaticContact CE1-CG 3.74Å; Y68-Y448 HydrophobicContact CE1-CG 3.74Å; Y68-Y448 HydrophobicContact CG-CE1 4.3Å; K264-Y448 HydrophobicContact CB-CE1 4.11Å; K264-Y448 HydrophobicContact CB-CE2 4.34Å; K264-Y448 HydrophobicContact CD-CD1 3.69Å; K264-Y448 HydrophobicContact CD-CE1 3.63Å; K264-Y448 HydrophobicContact CD-CG 4.38Å; F443-Y448 HydrophobicContact CD1-CE2 4.21Å; F443-Y448 WeakPolarHBondContact CD1-OH 3.12Å; L444-Y448 WeakPolarHBondContact O-CD2 3.22Å; P445-Y448 PolarHBondContact O-N 3.34Å; T446-Y448 PolarHBondContact O-N 2.72Å; Y448-F455 HydrophobicContact CD2-CE1 4.2Å; Y448-F455 HydrophobicContact CD2-CZ 4.18Å; Y448-F455 HydrophobicContact CE2-CZ 4.48Å; Y448-S468 WeakPolarHBondContact O-CB 3.34Å
449	K	90.5	Very high	92.8	Very high	47 Å²	47	33.2 Å²	33.2	20%	0.204	17%	0.172	C	C	.	.			trans	-148.5	114.6	174.6	-177.3	175.6	-177.4	172.3	0	108.5	P445 T446 S451 A452 D470 E471 L473	P445-K449 PolarHBondContact O-N 3.24Å; T446-K449 WeakPolarHBondContact CA-O 3.47Å; K449-S451 PolarHBondContact O-N 3.31Å; K449-S451 VanDerWaalsContact O-N 3.1Å; K449-A452 HydrophobicContact CB-CB 3.91Å; K449-A452 HydrophobicContact CD-CB 4.37Å; K449-A452 HydrophobicContact CG-CB 4.25Å; K449-A452 VanDerWaalsContact O-CB 3.29Å; K449-A452 WeakPolarHBondContact O-CB 3.33Å; K449-A452 PolarHBondContact O-N 2.93Å; K449-D470 PolarHBondContact NZ-O 3.12Å; K449-E471 PolarHBondContact NZ-O 2.87Å; K449-L473 HydrophobicContact CB-CD1 3.99Å; K449-L473 HydrophobicContact CB-CD2 4.4Å; K449-L473 HydrophobicContact CB-CG 4.49Å
450	E	87.8	Confident	91.4	Very high	177 Å²	177	37.2 Å²	37.2	83%	0.827	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-33.5	-171.2	-172.7	170.1	-175.6	0	0	113.5	A452	E450-A452 VanDerWaalsContact C-N 3.34Å
451	S	87.9	Confident	89.9	Confident	82 Å²	82	45 Å²	45	57%	0.573	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-2.4	178.1	72.2	0	0	0	0	114.7	K449 H453	K449-S451 PolarHBondContact O-N 3.31Å; K449-S451 VanDerWaalsContact O-N 3.1Å; S451-H453 PolarHBondContact O-CE1 3.48Å; S451-H453 PolarHBondContact O-ND1 3.16Å
452	A	89.8	Confident	88.4	Confident	13 Å²	13	46.2 Å²	46.2	11%	0.107	25%	0.245	C	C	.	.			trans	-88	131.9	-176.7	0	0	0	0	0	111.3	P445 T446 K449 E450 L473	P445-A452 HydrophobicContact CB-CB 3.85Å; P445-A452 WeakPolarHBondContact CB-O 3.16Å; T446-A452 VanDerWaalsContact CG2-O 3.26Å; T446-A452 WeakPolarHBondContact CG2-O 3.47Å; K449-A452 HydrophobicContact CB-CB 3.91Å; K449-A452 HydrophobicContact CD-CB 4.37Å; K449-A452 HydrophobicContact CG-CB 4.25Å; K449-A452 VanDerWaalsContact O-CB 3.29Å; K449-A452 WeakPolarHBondContact O-CB 3.33Å; K449-A452 PolarHBondContact O-N 2.93Å; E450-A452 VanDerWaalsContact C-N 3.34Å; A452-L473 HydrophobicContact CB-CD1 3.65Å
453	H	88.8	Confident	87	Confident	85 Å²	85	55.3 Å²	55.3	39%	0.394	29%	0.285	S	S	.	.			trans	-108.3	-11	179.6	-55	102.4	0	0	0	113	Q298 I299 S451	Q298-H453 VanDerWaalsContact CD-CD2 3.41Å; Q298-H453 PolarHBondContact NE2-NE2 3.47Å; Q298-H453 PolarHBondContact OE1-CD2 3.46Å; Q298-H453 PolarHBondContact OE1-NE2 2.74Å; I299-H453 WeakPolarHBondContact CD1-O 3.46Å; S451-H453 PolarHBondContact O-CE1 3.48Å; S451-H453 PolarHBondContact O-ND1 3.16Å
454	S	92.4	Very high	86	Confident	28 Å²	28	57.2 Å²	57.2	20%	0.196	29%	0.292	C	S	.	.			trans	-153	159	177.8	58.1	0	0	0	0	110.2	Q406 I407	Q406-S454 PolarHBondContact OE1-OG 3.09Å; I407-S454 CarbonylContact O-C 3.31Å; I407-S454 WeakPolarHBondContact O-CA 3.2Å; I407-S454 WeakPolarHBondContact O-CB 3.21Å
455	F	94	Very high	85	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	148.6	162.2	-58.2	-70.1	0	0	0	110.1	Y68 Q406 I407 F443 L444 P445 Y448 L473 F475	Y68-F455 HydrophobicContact CE1-CD1 4.38Å; Y68-F455 AromaticContact CE1-CE1 3.81Å; Y68-F455 HydrophobicContact CE1-CE1 3.81Å; Q406-F455 CarbonylContact C-O 3.51Å; Q406-F455 VanDerWaalsContact CA-O 3.22Å; Q406-F455 WeakPolarHBondContact CA-O 3.47Å; Q406-F455 WeakPolarHBondContact CB-O 3.32Å; I407-F455 HydrophobicContact CD1-CB 4.47Å; I407-F455 HydrophobicContact CD1-CD2 4.42Å; I407-F455 HydrophobicContact CG1-CB 3.83Å; I407-F455 HydrophobicContact CG1-CD2 4.19Å; I407-F455 PolarHBondContact N-O 2.88Å; I407-F455 PolarHBondContact O-N 2.88Å; F443-F455 HydrophobicContact CB-CE2 4.09Å; F443-F455 HydrophobicContact CB-CZ 4.13Å; L444-F455 VanDerWaalsContact C-CZ 3.49Å; P445-F455 VanDerWaalsContact CA-CZ 3.48Å; P445-F455 HydrophobicContact CB-CD1 4.4Å; P445-F455 HydrophobicContact CB-CE1 4.13Å; P445-F455 HydrophobicContact CB-CE2 4.42Å; P445-F455 HydrophobicContact CB-CZ 4.15Å; P445-F455 HydrophobicContact CG-CD1 4.3Å; P445-F455 HydrophobicContact CG-CD2 3.76Å; P445-F455 HydrophobicContact CG-CE1 4.18Å; P445-F455 HydrophobicContact CG-CE2 3.63Å; P445-F455 HydrophobicContact CG-CG 4.11Å; P445-F455 HydrophobicContact CG-CZ 3.85Å; P445-F455 VanDerWaalsContact N-CZ 3.31Å; Y448-F455 HydrophobicContact CD2-CE1 4.2Å; Y448-F455 HydrophobicContact CD2-CZ 4.18Å; Y448-F455 HydrophobicContact CE2-CZ 4.48Å; F455-L473 HydrophobicContact CD1-CB 3.87Å; F455-L473 HydrophobicContact CD1-CD1 4.13Å; F455-L473 HydrophobicContact CE1-CD1 4.11Å; F455-F475 HydrophobicContact CB-CB 3.58Å; F455-F475 HydrophobicContact CB-CG 4.29Å; F455-F475 HydrophobicContact CD1-CB 4.06Å; F455-F475 AromaticContact CD1-CD2 3.99Å; F455-F475 HydrophobicContact CD1-CD2 3.99Å; F455-F475 HydrophobicContact CD1-CG 4.34Å; F455-F475 HydrophobicContact CD2-CD2 4.27Å; F455-F475 HydrophobicContact CD2-CG 4.35Å; F455-F475 HydrophobicContact CE1-CD2 4.08Å; F455-F475 HydrophobicContact CE2-CD2 4.34Å; F455-F475 HydrophobicContact CG-CB 3.83Å; F455-F475 HydrophobicContact CG-CD2 4.09Å; F455-F475 HydrophobicContact CG-CG 4.09Å; F455-F475 HydrophobicContact CZ-CD2 4.24Å; F455-F475 HydrophobicContact CZ-CE2 4.49Å
456	E	93.6	Very high	84	Confident	39 Å²	39	65.3 Å²	65.3	18%	0.182	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	141.1	165	-171.2	-179.5	175.9	0	0	108.8	L458 K459 L472 L473 P474 F475	E456-L458 PolarHBondContact O-N 3.44Å; E456-K459 IonicContact OE1-NZ 2.94Å; E456-L472 WeakPolarHBondContact OE2-CD1 3.07Å; E456-L473 PolarHBondContact N-O 2.77Å; E456-P474 CarbonylContact O-C 3.58Å; E456-P474 VanDerWaalsContact O-CA 3.31Å; E456-P474 WeakPolarHBondContact O-CA 3.19Å; E456-F475 PolarHBondContact O-N 3.09Å
457	I	93.2	Very high	83	Confident	14 Å²	14	64.8 Å²	64.8	7%	0.072	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	126	174.6	-64.4	-55.2	0	0	0	109.9	Q405 I407 K459 I477 L481	Q405-I457 PolarHBondContact O-N 3.42Å; I407-I457 HydrophobicContact CB-CD1 4.32Å; I407-I457 HydrophobicContact CD1-CD1 3.93Å; I407-I457 HydrophobicContact CG1-CD1 3.85Å; I407-I457 HydrophobicContact CG2-CD1 3.72Å; I457-K459 PolarHBondContact O-N 2.81Å; I457-I477 HydrophobicContact CD1-CB 4.31Å; I457-I477 HydrophobicContact CD1-CD1 4.39Å; I457-I477 HydrophobicContact CD1-CG2 4.03Å; I457-I477 HydrophobicContact CG2-CG2 4.05Å; I457-L481 HydrophobicContact CD1-CD1 3.76Å; I457-L481 HydrophobicContact CG1-CD1 3.96Å
458	L	89	Confident	81.8	Confident	15 Å²	15	65.6 Å²	65.6	8%	0.079	34%	0.338	C	S	.	.			trans	-61	111.9	177.2	179.6	73.2	0	0	0	110.7	K82 E456 A462 Y464 P474 F475 P476	K82-L458 HydrophobicContact CB-CD2 3.99Å; K82-L458 HydrophobicContact CB-CG 4.42Å; E456-L458 PolarHBondContact O-N 3.44Å; L458-A462 HydrophobicContact CD1-CB 4.37Å; L458-Y464 HydrophobicContact CD1-CD2 3.9Å; L458-Y464 HydrophobicContact CD2-CD2 3.54Å; L458-Y464 HydrophobicContact CD2-CE2 3.82Å; L458-Y464 HydrophobicContact CG-CD2 4.34Å; L458-P474 HydrophobicContact CB-CB 4.43Å; L458-P474 HydrophobicContact CD1-CB 3.76Å; L458-F475 WeakPolarHBondContact CB-O 3.48Å; L458-F475 PolarHBondContact N-O 2.7Å; L458-P476 HydrophobicContact CD2-CB 3.99Å
459	K	79.5	Confident	80.8	Confident	93 Å²	93	70.6 Å²	70.6	40%	0.404	37%	0.37	S	S	.	.			trans	-86.1	152.9	171.7	-62.6	172.4	-176.2	168	0	110.4	E456 I457 N461 A462	E456-K459 IonicContact OE1-NZ 2.94Å; I457-K459 PolarHBondContact O-N 2.81Å; K459-N461 PolarHBondContact O-N 3.19Å; K459-A462 HydrophobicContact CB-CB 4.24Å; K459-A462 PolarHBondContact O-N 3.13Å
460	N	71	Confident	79.7	Confident	84 Å²	84	70.7 Å²	70.7	45%	0.449	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-27.8	177.6	-77.9	-24.5	0	0	0	114	K82	K82-N460 VanDerWaalsContact CG-O 3.28Å; K82-N460 WeakPolarHBondContact CG-O 3.44Å
461	N	66.5	Low	79	Confident	164 Å²	164	70.7 Å²	70.7	88%	0.877	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-7.8	-178.9	-58.8	-4.3	0	0	0	113.2	K459	K459-N461 PolarHBondContact O-N 3.19Å
462	A	66.3	Low	78.7	Confident	26 Å²	26	71.5 Å²	71.5	22%	0.215	37%	0.37	C	S	.	.	S	Bend	trans	-83.3	148.6	-178.1	0	0	0	0	0	111.3	L458 K459	L458-A462 HydrophobicContact CD1-CB 4.37Å; K459-A462 HydrophobicContact CB-CB 4.24Å; K459-A462 PolarHBondContact O-N 3.13Å
463	K	70.2	Confident	78.7	Confident	191 Å²	191	71.1 Å²	71.1	83%	0.83	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-73	131.5	168.1	-70.7	-175.6	179.9	179.2	0	108.5	P474	K463-P474 WeakPolarHBondContact O-CG 3.44Å
464	Y	75.6	Confident	78.9	Confident	40 Å²	40	67.6 Å²	67.6	16%	0.157	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-63.4	142.5	172.2	-162.8	-92.3	0	0	0	109.6	N66 Y68 P84 L458 Q466 P476	N66-Y464 PolarHBondContact ND2-OH 3.07Å; N66-Y464 VanDerWaalsContact ND2-OH 3.15Å; N66-Y464 WeakPolarHBondContact OD1-CE1 3.06Å; N66-Y464 PolarHBondContact OD1-OH 2.88Å; Y68-Y464 AromaticContact CD2-CE1 3.92Å; Y68-Y464 HydrophobicContact CD2-CE1 3.92Å; Y68-Y464 AromaticContact CD2-CZ 3.82Å; Y68-Y464 WeakPolarHBondContact CD2-OH 3.37Å; Y68-Y464 HydrophobicContact CE2-CE1 4.34Å; P84-Y464 HydrophobicContact CG-CD2 4.21Å; P84-Y464 HydrophobicContact CG-CE1 4.4Å; P84-Y464 HydrophobicContact CG-CE2 3.55Å; L458-Y464 HydrophobicContact CD1-CD2 3.9Å; L458-Y464 HydrophobicContact CD2-CD2 3.54Å; L458-Y464 HydrophobicContact CD2-CE2 3.82Å; L458-Y464 HydrophobicContact CG-CD2 4.34Å; Y464-Q466 PolarHBondContact O-N 2.85Å; Y464-P476 HydrophobicContact CE2-CB 4.12Å; Y464-P476 HydrophobicContact CE2-CG 3.73Å; Y464-P476 WeakPolarHBondContact OH-CD 3.33Å; Y464-P476 WeakPolarHBondContact OH-CG 3.12Å
465	S	75.4	Confident	78.9	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.014	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-58	127.8	179.4	-51.3	0	0	0	0	109.8	F67 Y68 D470 P474	F67-S465 WeakPolarHBondContact CB-O 3.24Å; Y68-S465 PolarHBondContact OH-OG 3.02Å; S465-D470 VanDerWaalsContact CA-OD2 3.31Å; S465-D470 WeakPolarHBondContact CA-OD2 3.38Å; S465-P474 VanDerWaalsContact OG-CD 3.23Å; S465-P474 WeakPolarHBondContact OG-CD 3.27Å; S465-P474 PolarHBondContact OG-O 2.68Å
466	Q	72.6	Confident	78.9	Confident	169 Å²	169	66.6 Å²	66.6	79%	0.79	34%	0.343	S	S	*	.			trans	-110.7	-21.7	175.4	-63.7	-168.7	-0.2	0	0	111.9	Y464 D470	Y464-Q466 PolarHBondContact O-N 2.85Å; Q466-D470 PolarHBondContact N-OD2 3.37Å
467	S	73	Confident	79	Confident	33 Å²	33	65 Å²	65	23%	0.231	34%	0.336	C	S	.	.	S	Bend	trans	-149	161.8	-173.2	79	0	0	0	0	112.2	T469 D470	S467-T469 PolarHBondContact O-N 3.39Å; S467-T469 PolarHBondContact OG-N 3.43Å; S467-T469 PolarHBondContact OG-OG1 2.73Å; S467-D470 PolarHBondContact N-OD2 2.97Å; S467-D470 VanDerWaalsContact O-CG 3.31Å; S467-D470 PolarHBondContact O-N 3.46Å; S467-D470 PolarHBondContact OG-N 3.25Å; S467-D470 PolarHBondContact OG-OD1 2.83Å
468	S	69.3	Low	79.1	Confident	63 Å²	63	64.4 Å²	64.4	44%	0.441	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-11	171.5	52.8	0	0	0	0	113.5	Y448 D470	Y448-S468 WeakPolarHBondContact O-CB 3.34Å; S468-D470 VanDerWaalsContact C-N 3.33Å
469	T	70.2	Confident	79.5	Confident	118 Å²	118	63.8 Å²	63.8	72%	0.724	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-10.5	177.5	56.7	0	0	0	0	112.9	S467 E471	S467-T469 PolarHBondContact O-N 3.39Å; S467-T469 PolarHBondContact OG-N 3.43Å; S467-T469 PolarHBondContact OG-OG1 2.73Å; T469-E471 PolarHBondContact O-N 3.43Å
470	D	68.1	Low	80.2	Confident	49 Å²	49	62.7 Å²	62.7	26%	0.262	33%	0.326	S	S	.	.	S	Bend	trans	-59	133.8	175.3	-60.3	-9.6	0	0	0	108.7	K449 S465 Q466 S467 S468 L472	K449-D470 PolarHBondContact NZ-O 3.12Å; S465-D470 VanDerWaalsContact CA-OD2 3.31Å; S465-D470 WeakPolarHBondContact CA-OD2 3.38Å; Q466-D470 PolarHBondContact N-OD2 3.37Å; S467-D470 PolarHBondContact N-OD2 2.97Å; S467-D470 VanDerWaalsContact O-CG 3.31Å; S467-D470 PolarHBondContact O-N 3.46Å; S467-D470 PolarHBondContact OG-N 3.25Å; S467-D470 PolarHBondContact OG-OD1 2.83Å; S468-D470 VanDerWaalsContact C-N 3.33Å; D470-L472 WeakPolarHBondContact CB-O 2.93Å; D470-L472 PolarHBondContact O-N 3.47Å
471	E	73.6	Confident	81.3	Confident	177 Å²	177	59.8 Å²	59.8	83%	0.827	31%	0.31	S	S	*	.	S	Bend	trans	-58	-42.7	-178.9	-77.2	-173.1	160	0	0	110.9	K449 T469	K449-E471 PolarHBondContact NZ-O 2.87Å; T469-E471 PolarHBondContact O-N 3.43Å
472	L	81	Confident	82.7	Confident	98 Å²	98	54.8 Å²	54.8	51%	0.513	29%	0.287	S	S	.	.	S	Bend	trans	-108.1	157.1	-179.1	-61.1	159.9	0	0	0	109.5	E456 D470 P474	E456-L472 WeakPolarHBondContact OE2-CD1 3.07Å; D470-L472 WeakPolarHBondContact CB-O 2.93Å; D470-L472 PolarHBondContact O-N 3.47Å; L472-P474 VanDerWaalsContact O-CD 3.23Å; L472-P474 WeakPolarHBondContact O-CD 3.47Å
473	L	89.4	Confident	84.2	Confident	6 Å²	6	54 Å²	54	3%	0.031	28%	0.28	C	S	.	.			trans	-114	75.4	172.6	-66.2	-177.7	0	0	0	110.9	F67 Y68 P445 K449 A452 F455 E456 F475	F67-L473 HydrophobicContact CE1-CD2 4.4Å; Y68-L473 WeakPolarHBondContact OH-CB 3.23Å; P445-L473 HydrophobicContact CB-CD1 4.38Å; K449-L473 HydrophobicContact CB-CD1 3.99Å; K449-L473 HydrophobicContact CB-CD2 4.4Å; K449-L473 HydrophobicContact CB-CG 4.49Å; A452-L473 HydrophobicContact CB-CD1 3.65Å; F455-L473 HydrophobicContact CD1-CB 3.87Å; F455-L473 HydrophobicContact CD1-CD1 4.13Å; F455-L473 HydrophobicContact CE1-CD1 4.11Å; E456-L473 PolarHBondContact N-O 2.77Å; L473-F475 PolarHBondContact O-N 3.44Å
474	P	92.3	Very high	85.5	Confident	10 Å²	10	47.8 Å²	47.8	7%	0.065	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	118.3	172	-26.6	34.5	0	0	0	111.7	Y68 E456 L458 K463 S465 L472	Y68-P474 WeakPolarHBondContact CE2-O 3.32Å; E456-P474 CarbonylContact O-C 3.58Å; E456-P474 VanDerWaalsContact O-CA 3.31Å; E456-P474 WeakPolarHBondContact O-CA 3.19Å; L458-P474 HydrophobicContact CB-CB 4.43Å; L458-P474 HydrophobicContact CD1-CB 3.76Å; K463-P474 WeakPolarHBondContact O-CG 3.44Å; S465-P474 VanDerWaalsContact OG-CD 3.23Å; S465-P474 WeakPolarHBondContact OG-CD 3.27Å; S465-P474 PolarHBondContact OG-O 2.68Å; L472-P474 VanDerWaalsContact O-CD 3.23Å; L472-P474 WeakPolarHBondContact O-CD 3.47Å
475	F	94.3	Very high	86.5	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.2	-177.7	-169.1	-84.8	0	0	0	110.9	Y68 I70 I407 F410 F443 F455 E456 L458 L473	Y68-F475 AromaticContact CD1-CD2 3.88Å; Y68-F475 HydrophobicContact CD1-CD2 3.88Å; Y68-F475 AromaticContact CD1-CE2 3.89Å; Y68-F475 HydrophobicContact CD1-CE2 3.89Å; Y68-F475 HydrophobicContact CD2-CD2 4.15Å; Y68-F475 HydrophobicContact CD2-CE2 4.49Å; Y68-F475 AromaticContact CE1-CD2 3.92Å; Y68-F475 HydrophobicContact CE1-CD2 3.92Å; Y68-F475 HydrophobicContact CE1-CE2 4.36Å; Y68-F475 HydrophobicContact CE2-CD2 4.14Å; Y68-F475 HydrophobicContact CG-CD2 4.03Å; Y68-F475 AromaticContact CG-CE2 3.99Å; Y68-F475 HydrophobicContact CG-CE2 3.99Å; I70-F475 HydrophobicContact CD1-CE1 4.22Å; I70-F475 HydrophobicContact CD1-CZ 3.91Å; I70-F475 HydrophobicContact CG2-CZ 4.33Å; I407-F475 HydrophobicContact CD1-CD1 3.9Å; I407-F475 HydrophobicContact CD1-CE1 4.48Å; I407-F475 HydrophobicContact CD1-CG 4.5Å; F410-F475 HydrophobicContact CB-CD1 4.36Å; F410-F475 HydrophobicContact CB-CE1 3.6Å; F410-F475 HydrophobicContact CB-CZ 3.78Å; F410-F475 AromaticContact CD1-CE1 3.56Å; F410-F475 HydrophobicContact CD1-CE1 3.56Å; F410-F475 AromaticContact CD1-CZ 3.71Å; F410-F475 HydrophobicContact CD1-CZ 3.71Å; F410-F475 HydrophobicContact CD2-CE1 4.11Å; F410-F475 HydrophobicContact CE1-CE1 4.24Å; F410-F475 HydrophobicContact CG-CD1 4.43Å; F410-F475 AromaticContact CG-CE1 3.48Å; F410-F475 HydrophobicContact CG-CE1 3.48Å; F410-F475 VanDerWaalsContact CG-CE1 3.48Å; F410-F475 AromaticContact CG-CZ 3.91Å; F410-F475 HydrophobicContact CG-CZ 3.91Å; F443-F475 HydrophobicContact CB-CE2 3.93Å; F443-F475 HydrophobicContact CB-CZ 4.1Å; F443-F475 AromaticContact CD1-CE2 3.7Å; F443-F475 HydrophobicContact CD1-CE2 3.7Å; F443-F475 AromaticContact CD1-CZ 3.99Å; F443-F475 HydrophobicContact CD1-CZ 3.99Å; F443-F475 HydrophobicContact CD2-CE2 4.49Å; F443-F475 HydrophobicContact CD2-CZ 4.01Å; F443-F475 HydrophobicContact CE1-CE2 4.33Å; F443-F475 HydrophobicContact CE1-CZ 4.44Å; F443-F475 HydrophobicContact CE2-CZ 4.45Å; F443-F475 AromaticContact CG-CE2 3.79Å; F443-F475 HydrophobicContact CG-CE2 3.79Å; F443-F475 AromaticContact CG-CZ 3.77Å; F443-F475 HydrophobicContact CG-CZ 3.77Å; F455-F475 HydrophobicContact CB-CB 3.58Å; F455-F475 HydrophobicContact CB-CG 4.29Å; F455-F475 HydrophobicContact CD1-CB 4.06Å; F455-F475 AromaticContact CD1-CD2 3.99Å; F455-F475 HydrophobicContact CD1-CD2 3.99Å; F455-F475 HydrophobicContact CD1-CG 4.34Å; F455-F475 HydrophobicContact CD2-CD2 4.27Å; F455-F475 HydrophobicContact CD2-CG 4.35Å; F455-F475 HydrophobicContact CE1-CD2 4.08Å; F455-F475 HydrophobicContact CE2-CD2 4.34Å; F455-F475 HydrophobicContact CG-CB 3.83Å; F455-F475 HydrophobicContact CG-CD2 4.09Å; F455-F475 HydrophobicContact CG-CG 4.09Å; F455-F475 HydrophobicContact CZ-CD2 4.24Å; F455-F475 HydrophobicContact CZ-CE2 4.49Å; E456-F475 PolarHBondContact O-N 3.09Å; L458-F475 WeakPolarHBondContact CB-O 3.48Å; L458-F475 PolarHBondContact N-O 2.7Å; L473-F475 PolarHBondContact O-N 3.44Å
476	P	93.8	Very high	87.6	Confident	7 Å²	7	52.8 Å²	52.8	5%	0.045	28%	0.279	C	S	.	.			trans	-76.8	133.8	178.5	33.1	-35	0	0	0	110.9	I70 I83 L458 Y464	I70-P476 HydrophobicContact CG2-CG 3.55Å; I83-P476 HydrophobicContact CG1-CB 4.48Å; I83-P476 HydrophobicContact CG2-CB 4.32Å; L458-P476 HydrophobicContact CD2-CB 3.99Å; Y464-P476 HydrophobicContact CE2-CB 4.12Å; Y464-P476 HydrophobicContact CE2-CG 3.73Å; Y464-P476 WeakPolarHBondContact OH-CD 3.33Å; Y464-P476 WeakPolarHBondContact OH-CG 3.12Å
477	I	95	Very high	88.7	Confident	5 Å²	5	50.5 Å²	50.5	3%	0.026	27%	0.269	C	S	.	.			trans	-121.3	144.7	175	-164.5	172.6	0	0	0	109.7	T398 F410 I457 Y479 L481	T398-I477 HydrophobicContact CG2-CD1 4.29Å; F410-I477 HydrophobicContact CD2-CG1 4.35Å; F410-I477 HydrophobicContact CE2-CD1 4.31Å; F410-I477 HydrophobicContact CE2-CG1 3.82Å; I457-I477 HydrophobicContact CD1-CB 4.31Å; I457-I477 HydrophobicContact CD1-CD1 4.39Å; I457-I477 HydrophobicContact CD1-CG2 4.03Å; I457-I477 HydrophobicContact CG2-CG2 4.05Å; I477-Y479 HydrophobicContact CD1-CD2 4.06Å; I477-Y479 HydrophobicContact CD1-CE2 3.43Å; I477-Y479 VanDerWaalsContact CD1-CE2 3.43Å; I477-Y479 HydrophobicContact CG1-CD2 4.24Å; I477-Y479 HydrophobicContact CG1-CE2 3.89Å; I477-Y479 VanDerWaalsContact CG2-O 3.29Å; I477-Y479 WeakPolarHBondContact CG2-O 3.49Å; I477-Y479 PolarHBondContact O-N 3.41Å; I477-L481 HydrophobicContact CD1-CD1 3.4Å; I477-L481 VanDerWaalsContact CD1-CD1 3.4Å; I477-L481 HydrophobicContact CD1-CD2 4.31Å; I477-L481 HydrophobicContact CD1-CG 3.94Å; I477-L481 HydrophobicContact CG2-CD1 4.45Å
478	P	95.6	Very high	89.5	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.019	30%	0.304	C	S	.	.	S	Bend	trans	-73.4	-5.6	-173.1	22.9	-32	0	0	0	115.8	L72 A384 H387 I394 F410	L72-P478 HydrophobicContact CD1-CB 4.3Å; L72-P478 HydrophobicContact CD2-CB 3.88Å; A384-P478 VanDerWaalsContact CB-O 3.31Å; A384-P478 WeakPolarHBondContact CB-O 3.43Å; H387-P478 PolarHBondContact NE2-O 3.44Å; I394-P478 HydrophobicContact CD1-CB 3.76Å; I394-P478 HydrophobicContact CD1-CG 3.66Å; F410-P478 HydrophobicContact CZ-CG 4.25Å
479	Y	96.1	Very high	90.6	Very high	1 Å²	1	58 Å²	58	0%	0.004	31%	0.312	C	S	.	.	S	Bend	trans	-145.8	163	-173.9	42.4	-103.6	0	0	0	112.1	I306 Q308 I342 W382 Q383 S396 I477 L481	I306-Y479 HydrophobicContact CG2-CE2 3.85Å; Q308-Y479 HydrophobicContact CB-CD1 4.04Å; Q308-Y479 HydrophobicContact CB-CE1 3.43Å; Q308-Y479 VanDerWaalsContact CB-CE1 3.43Å; Q308-Y479 HydrophobicContact CG-CD1 3.97Å; Q308-Y479 HydrophobicContact CG-CE1 3.85Å; I342-Y479 HydrophobicContact CD1-CD1 4Å; I342-Y479 HydrophobicContact CD1-CD2 3.32Å; I342-Y479 HydrophobicContact CD1-CE1 4.16Å; I342-Y479 HydrophobicContact CD1-CE2 3.51Å; I342-Y479 HydrophobicContact CD1-CG 3.58Å; W382-Y479 HydrophobicContact CZ3-CD1 4.06Å; Q383-Y479 CarbonylContact O-C 3.54Å; Q383-Y479 WeakPolarHBondContact O-CA 3.47Å; Q383-Y479 WeakPolarHBondContact O-CB 3.5Å; S396-Y479 WeakPolarHBondContact OG-CE1 3.43Å; S396-Y479 PolarHBondContact OG-OH 2.97Å; I477-Y479 HydrophobicContact CD1-CD2 4.06Å; I477-Y479 HydrophobicContact CD1-CE2 3.43Å; I477-Y479 VanDerWaalsContact CD1-CE2 3.43Å; I477-Y479 HydrophobicContact CG1-CD2 4.24Å; I477-Y479 HydrophobicContact CG1-CE2 3.89Å; I477-Y479 VanDerWaalsContact CG2-O 3.29Å; I477-Y479 WeakPolarHBondContact CG2-O 3.49Å; I477-Y479 PolarHBondContact O-N 3.41Å; Y479-L481 HydrophobicContact CD2-CD2 3.83Å; Y479-L481 HydrophobicContact CD2-CG 4.36Å; Y479-L481 HydrophobicContact CE2-CD2 3.73Å; Y479-L481 HydrophobicContact CE2-CG 4.42Å
480	E	94.9	Very high	91.9	Very high	71 Å²	71	53.5 Å²	53.5	33%	0.332	28%	0.283	S	S	.	.			trans	-70.3	141.6	178.1	-69.5	-176	-153	0	0	112.1	Q383 F385	Q383-E480 HydrophobicContact CB-CB 4.47Å; Q383-E480 PolarHBondContact O-N 3.27Å; F385-E480 WeakPolarHBondContact CA-OE1 3.04Å; F385-E480 HydrophobicContact CD1-CG 3.5Å; F385-E480 HydrophobicContact CD2-CG 4.12Å; F385-E480 HydrophobicContact CE1-CB 4.46Å; F385-E480 HydrophobicContact CE1-CG 3.49Å; F385-E480 VanDerWaalsContact CE1-CG 3.49Å; F385-E480 HydrophobicContact CE2-CG 4.09Å; F385-E480 HydrophobicContact CG-CG 3.84Å; F385-E480 HydrophobicContact CZ-CB 4.45Å; F385-E480 HydrophobicContact CZ-CG 3.78Å; F385-E480 PolarHBondContact N-OE1 3Å
481	L	95.2	Very high	93.2	Very high	22 Å²	22	55.4 Å²	55.4	12%	0.115	29%	0.291	C	S	.	.	S	Bend	trans	-127.3	141.1	176.1	-67.7	-175.6	0	0	0	110.3	I306 M400 I407 I457 I477 Y479	I306-L481 HydrophobicContact CG1-CD2 4.4Å; I306-L481 HydrophobicContact CG2-CD2 4.48Å; M400-L481 HydrophobicContact CG-CD1 3.9Å; M400-L481 HydrophobicContact SD-CB 3.78Å; M400-L481 HydrophobicContact SD-CD1 3.93Å; M400-L481 HydrophobicContact SD-CD2 3.56Å; M400-L481 VanDerWaalsContact SD-CD2 3.56Å; M400-L481 HydrophobicContact SD-CG 3.96Å; I407-L481 HydrophobicContact CG2-CD1 3.87Å; I457-L481 HydrophobicContact CD1-CD1 3.76Å; I457-L481 HydrophobicContact CG1-CD1 3.96Å; I477-L481 HydrophobicContact CD1-CD1 3.4Å; I477-L481 VanDerWaalsContact CD1-CD1 3.4Å; I477-L481 HydrophobicContact CD1-CD2 4.31Å; I477-L481 HydrophobicContact CD1-CG 3.94Å; I477-L481 HydrophobicContact CG2-CD1 4.45Å; Y479-L481 HydrophobicContact CD2-CD2 3.83Å; Y479-L481 HydrophobicContact CD2-CG 4.36Å; Y479-L481 HydrophobicContact CE2-CD2 3.73Å; Y479-L481 HydrophobicContact CE2-CG 4.42Å
482	P	95.9	Very high	94.3	Very high	59 Å²	59	47.9 Å²	47.9	38%	0.383	26%	0.257	S	S	.	.	S	Bend	cis	-67	147.2	-8.4	30.3	-34.4	0	0	0	111.2	M400	M400-P482 HydrophobicContact CE-CB 3.77Å; M400-P482 HydrophobicContact SD-CB 4.16Å
483	P	97.1	Very high	95.1	Very high	11 Å²	11	43.2 Å²	43.2	7%	0.071	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-69.7	151.2	-177.7	30.7	-36.2	0	0	0	110.7	I306 R340 I342 Y380	I306-P483 HydrophobicContact CD1-CG 4.22Å; R340-P483 HydrophobicContact CB-CG 4.1Å; I342-P483 HydrophobicContact CD1-CB 3.89Å; I342-P483 HydrophobicContact CD1-CG 4.47Å; I342-P483 HydrophobicContact CG1-CB 3.91Å; I342-P483 HydrophobicContact CG1-CG 4.45Å; Y380-P483 HydrophobicContact CD1-CB 3.81Å; Y380-P483 HydrophobicContact CD1-CG 3.65Å; Y380-P483 WeakPolarHBondContact CD1-O 3.45Å; Y380-P483 HydrophobicContact CE1-CG 4.21Å; Y380-P483 WeakPolarHBondContact CE1-O 2.82Å; Y380-P483 HydrophobicContact CG-CB 4.17Å; Y380-P483 HydrophobicContact CG-CG 4.08Å
484	V	97	Very high	95.5	Very high	60 Å²	60	43.5 Å²	43.5	36%	0.364	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-82.2	123.6	178.5	174.8	0	0	0	0	110.4	Y380 R381	Y380-V484 CarbonylContact C-O 3.49Å; Y380-V484 VanDerWaalsContact CA-O 3.23Å; Y380-V484 WeakPolarHBondContact CA-O 3.3Å; Y380-V484 WeakPolarHBondContact CB-O 3.46Å; Y380-V484 VanDerWaalsContact CD1-C 3.41Å; Y380-V484 WeakPolarHBondContact CD1-O 3.35Å; R381-V484 PolarHBondContact N-O 2.66Å
485	K	97.5	Very high	95.6	Very high	119 Å²	119	43.7 Å²	43.7	52%	0.517	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-67.3	146.6	179.2	-167.1	175.4	-179	-177.8	0	110.3	Y380 Q487	Y380-K485 VanDerWaalsContact CD1-CA 3.42Å; Y380-K485 HydrophobicContact CD1-CB 3.98Å; Y380-K485 VanDerWaalsContact CD1-N 3.33Å; Y380-K485 HydrophobicContact CE1-CB 3.65Å; Y380-K485 HydrophobicContact CE1-CG 4.13Å; Y380-K485 HydrophobicContact CE2-CG 4.36Å; K485-Q487 PolarHBondContact O-N 3.41Å
486	Y	97.9	Very high	95.7	Very high	27 Å²	27	45.8 Å²	45.8	11%	0.106	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-53.7	135.2	169.7	-87.5	34.4	0	0	0	111.4	Y343 P344 S345 F379 Y380 R381 D490 P492	Y343-Y486 PolarHBondContact O-OH 2.69Å; P344-Y486 PolarHBondContact O-OH 2.88Å; P344-Y486 VanDerWaalsContact O-OH 3.13Å; S345-Y486 WeakPolarHBondContact CA-OH 3.31Å; S345-Y486 PolarHBondContact N-OH 3.32Å; S345-Y486 VanDerWaalsContact N-OH 3.15Å; F379-Y486 HydrophobicContact CB-CD1 3.84Å; F379-Y486 HydrophobicContact CB-CD2 3.89Å; F379-Y486 HydrophobicContact CB-CE1 3.83Å; F379-Y486 HydrophobicContact CB-CE2 3.88Å; F379-Y486 HydrophobicContact CB-CG 3.86Å; F379-Y486 HydrophobicContact CD2-CE2 4.13Å; F379-Y486 HydrophobicContact CG-CE2 4.41Å; F379-Y486 PolarHBondContact O-N 3.13Å; Y380-Y486 WeakPolarHBondContact O-CE1 3.17Å; R381-Y486 HydrophobicContact CG-CD1 3.93Å; R381-Y486 HydrophobicContact CG-CE1 4.17Å; Y486-D490 WeakPolarHBondContact CA-OD2 3.31Å; Y486-D490 HydrophobicContact CD1-CB 4.49Å; Y486-D490 HydrophobicContact CD2-CB 3.58Å; Y486-D490 HydrophobicContact CE2-CB 4.19Å; Y486-D490 HydrophobicContact CG-CB 3.76Å; Y486-P492 HydrophobicContact CE2-CB 4.13Å
487	Q	95.4	Very high	95.7	Very high	122 Å²	122	48.7 Å²	48.7	57%	0.57	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-81.9	170.7	169.7	-62.5	-174.1	-19	0	0	110.9	K485 N489 D490	K485-Q487 PolarHBondContact O-N 3.41Å; Q487-N489 VanDerWaalsContact CB-OD1 3.3Å; Q487-N489 WeakPolarHBondContact CB-OD1 3.48Å; Q487-N489 PolarHBondContact O-N 3.11Å; Q487-D490 PolarHBondContact N-OD2 3.4Å; Q487-D490 WeakPolarHBondContact O-CB 3.47Å; Q487-D490 PolarHBondContact O-N 3.24Å; Q487-D490 VanDerWaalsContact O-N 3.07Å
488	S	90.7	Very high	95.7	Very high	137 Å²	137	52.5 Å²	52.5	96%	0.958	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.5	-177.1	51.6	0	0	0	0	114.4
489	N	92.1	Very high	95.6	Very high	115 Å²	115	53.1 Å²	53.1	62%	0.615	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-1.7	176.9	62.3	-38.4	0	0	0	113.3	Q487 E491	Q487-N489 VanDerWaalsContact CB-OD1 3.3Å; Q487-N489 WeakPolarHBondContact CB-OD1 3.48Å; Q487-N489 PolarHBondContact O-N 3.11Å; N489-E491 PolarHBondContact O-N 3.14Å
490	D	96.3	Very high	95.5	Very high	24 Å²	24	57.8 Å²	57.8	13%	0.128	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-79.1	120.6	178.5	-74	-28.9	0	0	0	110.8	R381 Y486 Q487	R381-D490 WeakPolarHBondContact CD-OD2 3.35Å; R381-D490 IonicContact CZ-OD1 3.13Å; R381-D490 IonicContact CZ-OD2 3.85Å; R381-D490 IonicContact NH1-OD1 2.61Å; R381-D490 PolarHBondContact NH1-OD1 3.48Å; R381-D490 IonicContact NH1-OD2 3.02Å; R381-D490 PolarHBondContact NH1-OD2 3.47Å; R381-D490 VanDerWaalsContact NH1-OD2 3.07Å; Y486-D490 WeakPolarHBondContact CA-OD2 3.31Å; Y486-D490 HydrophobicContact CD1-CB 4.49Å; Y486-D490 HydrophobicContact CD2-CB 3.58Å; Y486-D490 HydrophobicContact CE2-CB 4.19Å; Y486-D490 HydrophobicContact CG-CB 3.76Å; Q487-D490 PolarHBondContact N-OD2 3.4Å; Q487-D490 WeakPolarHBondContact O-CB 3.47Å; Q487-D490 PolarHBondContact O-N 3.24Å; Q487-D490 VanDerWaalsContact O-N 3.07Å
491	E	96	Very high	95.5	Very high	90 Å²	90	59.3 Å²	59.3	42%	0.421	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-102.1	135.4	171	-64	-164.4	150.2	0	0	110.4	S345 V346 N489 K497	S345-E491 CarbonylContact C-O 3.44Å; S345-E491 WeakPolarHBondContact CA-O 3.43Å; S345-E491 VanDerWaalsContact CB-O 3.28Å; S345-E491 WeakPolarHBondContact CB-O 3.14Å; V346-E491 HydrophobicContact CG2-CB 3.83Å; V346-E491 PolarHBondContact N-O 3.46Å; N489-E491 PolarHBondContact O-N 3.14Å; E491-K497 IonicContact OE1-NZ 3.76Å; E491-K497 PolarHBondContact OE1-NZ 2.88Å; E491-K497 IonicContact OE2-NZ 3.04Å; E491-K497 PolarHBondContact OE2-NZ 2.95Å
492	P	97.5	Very high	95.6	Very high	18 Å²	18	61.2 Å²	61.2	12%	0.117	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-66.7	147.9	171.7	29.9	-34.9	0	0	0	110.4	Y343 F379 Y486 I494	Y343-P492 HydrophobicContact CD1-CB 4.21Å; Y343-P492 HydrophobicContact CE1-CB 4.38Å; F379-P492 HydrophobicContact CD2-CB 3.91Å; F379-P492 HydrophobicContact CD2-CG 4.3Å; F379-P492 HydrophobicContact CE2-CB 3.69Å; F379-P492 HydrophobicContact CE2-CG 4.01Å; Y486-P492 HydrophobicContact CE2-CB 4.13Å; P492-I494 HydrophobicContact CG-CD1 4.43Å; P492-I494 PolarHBondContact O-N 2.88Å
493	W	97.8	Very high	95.6	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-62.7	122.1	171.7	177	-105	0	0	0	111.3	Y343 P344 V349 Y356 G359 L362 H499 W509	Y343-W493 HydrophobicContact CE1-CB 4.22Å; Y343-W493 WeakPolarHBondContact CE1-O 3.48Å; Y343-W493 PolarHBondContact OH-O 3.47Å; P344-W493 WeakPolarHBondContact O-CB 2.99Å; P344-W493 PolarHBondContact O-N 3.09Å; V349-W493 HydrophobicContact CB-CD2 4.14Å; V349-W493 HydrophobicContact CB-CE3 3.82Å; V349-W493 HydrophobicContact CB-CZ3 4.24Å; V349-W493 HydrophobicContact CG1-CD2 4.02Å; V349-W493 HydrophobicContact CG1-CE3 3.8Å; V349-W493 HydrophobicContact CG1-CH2 4.07Å; V349-W493 HydrophobicContact CG1-CZ2 4.31Å; V349-W493 HydrophobicContact CG1-CZ3 3.82Å; V349-W493 HydrophobicContact CG2-CB 3.86Å; V349-W493 HydrophobicContact CG2-CD2 3.81Å; V349-W493 HydrophobicContact CG2-CE3 3.96Å; V349-W493 HydrophobicContact CG2-CG 3.76Å; Y356-W493 AromaticContact CD1-CH2 3.75Å; Y356-W493 HydrophobicContact CD1-CH2 3.75Å; Y356-W493 AromaticContact CD1-CZ3 3.54Å; Y356-W493 HydrophobicContact CD1-CZ3 3.54Å; Y356-W493 HydrophobicContact CE1-CH2 4.45Å; Y356-W493 AromaticContact CE1-CZ3 3.86Å; Y356-W493 HydrophobicContact CE1-CZ3 3.86Å; Y356-W493 HydrophobicContact CG-CH2 4.49Å; G359-W493 VanDerWaalsContact CA-CZ2 3.45Å; G359-W493 VanDerWaalsContact CA-NE1 3.27Å; G359-W493 PolarHBondContact O-NE1 2.81Å; G359-W493 VanDerWaalsContact O-NE1 3.11Å; L362-W493 HydrophobicContact CD1-CG 4.43Å; W493-H499 AromaticContact CE3-NE2 3.87Å; W493-H499 AromaticContact CZ3-CD2 3.46Å; W493-H499 VanDerWaalsContact CZ3-CD2 3.46Å; W493-H499 WeakPolarHBondContact CZ3-CD2 3.39Å; W493-H499 AromaticContact CZ3-NE2 3.65Å; W493-W509 HydrophobicContact CH2-CB 4.41Å; W493-W509 AromaticContact CH2-CD1 3.54Å; W493-W509 AromaticContact CH2-CD2 3.79Å; W493-W509 HydrophobicContact CH2-CD2 3.79Å; W493-W509 AromaticContact CH2-CE2 3.6Å; W493-W509 AromaticContact CH2-CG 3.71Å; W493-W509 HydrophobicContact CH2-CG 3.71Å; W493-W509 HydrophobicContact CH2-CZ2 4.12Å; W493-W509 AromaticContact CH2-NE1 3.52Å; W493-W509 HydrophobicContact CZ2-CD2 4.26Å; W493-W509 AromaticContact CZ2-CE2 3.63Å; W493-W509 HydrophobicContact CZ2-CH2 4.4Å; W493-W509 AromaticContact CZ2-CZ2 3.72Å; W493-W509 HydrophobicContact CZ2-CZ2 3.72Å; W493-W509 AromaticContact CZ2-NE1 3.65Å
494	I	97.4	Very high	95.4	Very high	13 Å²	13	61.5 Å²	61.5	7%	0.067	34%	0.339	C	S	.	.			trans	-118	115.4	174.6	-57.6	-59.2	0	0	0	108.3	Y364 K366 A369 P492 D496 K497	Y364-I494 HydrophobicContact CD1-CD1 3.31Å; Y364-I494 HydrophobicContact CE1-CD1 3.53Å; Y364-I494 HydrophobicContact CG-CD1 3.99Å; Y364-I494 CarbonylContact O-C 3.53Å; Y364-I494 WeakPolarHBondContact O-CA 3.36Å; K366-I494 HydrophobicContact CB-CG2 4.05Å; A369-I494 HydrophobicContact CB-CD1 3.75Å; P492-I494 HydrophobicContact CG-CD1 4.43Å; P492-I494 PolarHBondContact O-N 2.88Å; I494-D496 WeakPolarHBondContact CG2-OD1 3.37Å; I494-D496 PolarHBondContact O-N 3.37Å; I494-D496 VanDerWaalsContact O-N 3.1Å; I494-K497 HydrophobicContact CB-CB 3.72Å; I494-K497 HydrophobicContact CB-CD 4.46Å; I494-K497 HydrophobicContact CG2-CB 3.78Å; I494-K497 PolarHBondContact O-N 3.13Å; I494-K497 VanDerWaalsContact O-N 3.09Å
495	L	95.1	Very high	95.3	Very high	13 Å²	13	63.4 Å²	63.4	7%	0.068	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-35.6	-167.6	-178.5	69.3	0	0	0	114	Y27 G359 P363 Y364 W509	Y27-L495 HydrophobicContact CE2-CD1 4.06Å; G359-L495 WeakPolarHBondContact O-CD1 3.45Å; P363-L495 HydrophobicContact CB-CD2 4.49Å; Y364-L495 PolarHBondContact O-N 2.94Å; L495-W509 HydrophobicContact CD1-CZ2 4.34Å; L495-W509 PolarHBondContact O-NE1 3.11Å
496	D	94.9	Very high	95.2	Very high	45 Å²	45	60.5 Å²	60.5	24%	0.241	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	15.9	-174.9	58	-8.8	0	0	0	113	T365 K366 I494 P511	T365-D496 VanDerWaalsContact CA-OD1 3.32Å; T365-D496 WeakPolarHBondContact CA-OD1 3.37Å; T365-D496 WeakPolarHBondContact CB-OD2 3.44Å; K366-D496 WeakPolarHBondContact CB-OD1 3.32Å; K366-D496 PolarHBondContact N-OD1 3.16Å; K366-D496 PolarHBondContact N-OD2 2.94Å; I494-D496 WeakPolarHBondContact CG2-OD1 3.37Å; I494-D496 PolarHBondContact O-N 3.37Å; I494-D496 VanDerWaalsContact O-N 3.1Å; D496-P511 VanDerWaalsContact CA-CG 3.48Å; D496-P511 WeakPolarHBondContact O-CG 3.48Å
497	K	94.6	Very high	95	Very high	67 Å²	67	64.8 Å²	64.8	29%	0.291	36%	0.362	S	S	.	.	S	Bend	trans	-93.8	129.3	169.9	-174.6	-178.5	177.9	-171.3	0	109.7	E491 I494 H499	E491-K497 IonicContact OE1-NZ 3.76Å; E491-K497 PolarHBondContact OE1-NZ 2.88Å; E491-K497 IonicContact OE2-NZ 3.04Å; E491-K497 PolarHBondContact OE2-NZ 2.95Å; I494-K497 HydrophobicContact CB-CB 3.72Å; I494-K497 HydrophobicContact CB-CD 4.46Å; I494-K497 HydrophobicContact CG2-CB 3.78Å; I494-K497 PolarHBondContact O-N 3.13Å; I494-K497 VanDerWaalsContact O-N 3.09Å; K497-H499 PolarHBondContact O-CD2 3.21Å; K497-H499 PolarHBondContact O-NE2 3.42Å
498	P	94.3	Very high	95	Very high	86 Å²	86	62.7 Å²	62.7	56%	0.558	35%	0.354	S	S	*	.			trans	-66.6	145.9	173.5	-20.7	32.2	0	0	0	113.4	W509	P498-W509 CarbonylContact C-O 3.53Å; P498-W509 WeakPolarHBondContact CA-O 2.89Å
499	H	94.2	Very high	95.1	Very high	16 Å²	16	56.3 Å²	56.3	7%	0.074	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-133.3	116.2	173	-56.3	-71.1	0	0	0	110.4	V346 Y356 W493 K497 W509	V346-H499 WeakPolarHBondContact CG2-CE1 3.45Å; Y356-H499 HydrophobicContact CE1-CB 4.18Å; W493-H499 AromaticContact CE3-NE2 3.87Å; W493-H499 AromaticContact CZ3-CD2 3.46Å; W493-H499 VanDerWaalsContact CZ3-CD2 3.46Å; W493-H499 WeakPolarHBondContact CZ3-CD2 3.39Å; W493-H499 AromaticContact CZ3-NE2 3.65Å; K497-H499 PolarHBondContact O-CD2 3.21Å; K497-H499 PolarHBondContact O-NE2 3.42Å; H499-W509 HydrophobicContact CB-CB 4.03Å; H499-W509 AromaticContact CD2-CD1 3.66Å; H499-W509 PolarHBondContact N-O 3.04Å; H499-W509 PolarHBondContact O-N 3.17Å
500	S	93.2	Very high	95	Very high	99 Å²	99	56.1 Å²	56.1	69%	0.692	31%	0.305	S	S	*	.			trans	-86.6	-12.2	-175.3	53.7	0	0	0	0	114.7	I508	S500-I508 VanDerWaalsContact O-CG2 3.24Å; S500-I508 WeakPolarHBondContact O-CG2 3.46Å
501	L	95.3	Very high	94.3	Very high	103 Å²	103	55.7 Å²	55.7	54%	0.539	30%	0.303	S	S	.	.	S	Bend	trans	-74.7	130.5	175.1	-68.5	178.4	0	0	0	109.5	Y356	Y356-L501 WeakPolarHBondContact CE2-O 3.24Å; Y356-L501 PolarHBondContact OH-O 3.07Å
502	P	96.6	Very high	92.9	Very high	62 Å²	62	54.8 Å²	54.8	40%	0.403	31%	0.307	S	S	.	.			trans	-65.7	139.1	178.1	-22.2	33.1	0	0	0	112.4	R350 R507 I508	R350-P502 VanDerWaalsContact CZ-O 3.28Å; R350-P502 PolarHBondContact NE-O 3.05Å; R350-P502 PolarHBondContact NH2-O 3.28Å; P502-R507 CarbonylContact C-O 3.54Å; P502-R507 VanDerWaalsContact CA-O 3.32Å; P502-R507 WeakPolarHBondContact CA-O 3.5Å; P502-I508 HydrophobicContact CG-CG2 4.45Å
503	D	97.1	Very high	92.7	Very high	10 Å²	10	56.6 Å²	56.6	5%	0.053	32%	0.316	C	S	.	.			trans	-72.3	-177	168	72.1	10.2	0	0	0	112.6	R350 G355 Y356 F505 G506 R507	R350-D503 HydrophobicContact CG-CB 3.98Å; R350-D503 WeakPolarHBondContact O-CB 3.49Å; G355-D503 WeakPolarHBondContact CA-OD2 3.34Å; Y356-D503 HydrophobicContact CD2-CB 3.64Å; Y356-D503 HydrophobicContact CE2-CB 3.84Å; Y356-D503 HydrophobicContact CG-CB 4.14Å; Y356-D503 PolarHBondContact N-OD2 2.76Å; D503-F505 PolarHBondContact O-N 2.97Å; D503-F505 WeakPolarHBondContact OD1-CA 3.18Å; D503-F505 WeakPolarHBondContact OD1-CB 3.41Å; D503-F505 PolarHBondContact OD1-N 3.13Å; D503-G506 PolarHBondContact O-N 2.89Å; D503-G506 PolarHBondContact OD1-N 3.05Å; D503-R507 PolarHBondContact N-O 3.44Å; D503-R507 WeakPolarHBondContact OD1-CB 3.33Å; D503-R507 PolarHBondContact OD1-N 3.46Å
504	I	93.4	Very high	92.4	Very high	66 Å²	66	59.6 Å²	59.6	34%	0.338	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-9.6	179.6	61.3	162.6	0	0	0	114.4	R350 N351 S352	R350-I504 PolarHBondContact O-N 3.35Å; N351-I504 HydrophobicContact CB-CG2 4.42Å; S352-I504 WeakPolarHBondContact O-CD1 3.48Å
505	F	94.8	Very high	92.1	Very high	100 Å²	100	62.2 Å²	62.2	44%	0.439	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	9.1	175.8	-57.9	-67.8	0	0	0	112.3	D503 R507	D503-F505 PolarHBondContact O-N 2.97Å; D503-F505 WeakPolarHBondContact OD1-CA 3.18Å; D503-F505 WeakPolarHBondContact OD1-CB 3.41Å; D503-F505 PolarHBondContact OD1-N 3.13Å; F505-R507 VanDerWaalsContact C-N 3.3Å; F505-R507 HydrophobicContact CB-CG 4.28Å; F505-R507 PolarHBondContact O-N 3.34Å
506	G	94.5	Very high	92	Very high	58 Å²	58	65.1 Å²	65.1	60%	0.598	36%	0.364	S	S	*	.	S	Bend	trans	76.1	14.7	-178.9	0	0	0	0	0	114	D503	D503-G506 PolarHBondContact O-N 2.89Å; D503-G506 PolarHBondContact OD1-N 3.05Å
507	R	94.2	Very high	91.8	Very high	116 Å²	116	66.3 Å²	66.3	44%	0.438	37%	0.372	S	S	.	.			trans	-96.9	142.1	-176.9	-58.4	170.6	-177.6	161.9	-0.6	110.6	Y356 F357 P502 D503 F505	Y356-R507 WeakPolarHBondContact CD2-O 3.29Å; Y356-R507 VanDerWaalsContact CE2-O 3.32Å; Y356-R507 WeakPolarHBondContact CE2-O 3.3Å; F357-R507 VanDerWaalsContact CD2-NH1 3.32Å; P502-R507 CarbonylContact C-O 3.54Å; P502-R507 VanDerWaalsContact CA-O 3.32Å; P502-R507 WeakPolarHBondContact CA-O 3.5Å; D503-R507 PolarHBondContact N-O 3.44Å; D503-R507 WeakPolarHBondContact OD1-CB 3.33Å; D503-R507 PolarHBondContact OD1-N 3.46Å; F505-R507 VanDerWaalsContact C-N 3.3Å; F505-R507 HydrophobicContact CB-CG 4.28Å; F505-R507 PolarHBondContact O-N 3.34Å
508	I	94.4	Very high	91.6	Very high	78 Å²	78	66.3 Å²	66.3	40%	0.4	38%	0.377	S	S	.	.			trans	-94.2	157.8	168.1	63.5	174.3	0	0	0	110	S500 P502 E510	S500-I508 VanDerWaalsContact O-CG2 3.24Å; S500-I508 WeakPolarHBondContact O-CG2 3.46Å; P502-I508 HydrophobicContact CG-CG2 4.45Å; I508-E510 HydrophobicContact CD1-CG 3.94Å; I508-E510 WeakPolarHBondContact CD1-OE1 3.33Å; I508-E510 HydrophobicContact CG1-CG 4.26Å
509	W	93.7	Very high	91.4	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.015	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-100.5	107.8	174.7	-173.1	-116.9	0	0	0	110.6	Y27 Y356 F357 W493 L495 P498 H499	Y27-W509 AromaticContact CD1-CH2 3.68Å; Y27-W509 HydrophobicContact CD1-CH2 3.68Å; Y27-W509 AromaticContact CD1-CZ3 3.9Å; Y27-W509 HydrophobicContact CD1-CZ3 3.9Å; Y27-W509 AromaticContact CD2-CH2 3.61Å; Y27-W509 HydrophobicContact CD2-CH2 3.61Å; Y27-W509 HydrophobicContact CD2-CZ2 4.38Å; Y27-W509 HydrophobicContact CD2-CZ3 4.48Å; Y27-W509 AromaticContact CE1-CH2 3.22Å; Y27-W509 HydrophobicContact CE1-CH2 3.22Å; Y27-W509 AromaticContact CE1-CZ2 3.82Å; Y27-W509 HydrophobicContact CE1-CZ2 3.82Å; Y27-W509 AromaticContact CE1-CZ3 3.66Å; Y27-W509 HydrophobicContact CE1-CZ3 3.66Å; Y27-W509 AromaticContact CE2-CH2 3.18Å; Y27-W509 HydrophobicContact CE2-CH2 3.18Å; Y27-W509 AromaticContact CE2-CZ2 3.53Å; Y27-W509 HydrophobicContact CE2-CZ2 3.53Å; Y27-W509 HydrophobicContact CE2-CZ3 4.3Å; Y27-W509 AromaticContact CG-CH2 3.86Å; Y27-W509 HydrophobicContact CG-CH2 3.86Å; Y27-W509 HydrophobicContact CG-CZ3 4.32Å; Y27-W509 AromaticContact CZ-CH2 2.98Å; Y27-W509 AromaticContact CZ-CZ2 3.2Å; Y27-W509 AromaticContact CZ-CZ3 3.91Å; Y27-W509 WeakPolarHBondContact OH-CH2 3.44Å; Y27-W509 WeakPolarHBondContact OH-CZ2 3.03Å; Y356-W509 HydrophobicContact CD1-CB 4.02Å; Y356-W509 HydrophobicContact CD2-CB 3.74Å; Y356-W509 HydrophobicContact CE1-CB 4.33Å; Y356-W509 HydrophobicContact CE2-CB 4.06Å; Y356-W509 HydrophobicContact CG-CB 3.72Å; Y356-W509 HydrophobicContact CG-CE3 4.43Å; Y356-W509 HydrophobicContact CG-CG 4.41Å; F357-W509 HydrophobicContact CD1-CZ3 4.04Å; F357-W509 HydrophobicContact CE1-CZ3 4.44Å; W493-W509 HydrophobicContact CH2-CB 4.41Å; W493-W509 AromaticContact CH2-CD1 3.54Å; W493-W509 AromaticContact CH2-CD2 3.79Å; W493-W509 HydrophobicContact CH2-CD2 3.79Å; W493-W509 AromaticContact CH2-CE2 3.6Å; W493-W509 AromaticContact CH2-CG 3.71Å; W493-W509 HydrophobicContact CH2-CG 3.71Å; W493-W509 HydrophobicContact CH2-CZ2 4.12Å; W493-W509 AromaticContact CH2-NE1 3.52Å; W493-W509 HydrophobicContact CZ2-CD2 4.26Å; W493-W509 AromaticContact CZ2-CE2 3.63Å; W493-W509 HydrophobicContact CZ2-CH2 4.4Å; W493-W509 AromaticContact CZ2-CZ2 3.72Å; W493-W509 HydrophobicContact CZ2-CZ2 3.72Å; W493-W509 AromaticContact CZ2-NE1 3.65Å; L495-W509 HydrophobicContact CD1-CZ2 4.34Å; L495-W509 PolarHBondContact O-NE1 3.11Å; P498-W509 CarbonylContact C-O 3.53Å; P498-W509 WeakPolarHBondContact CA-O 2.89Å; H499-W509 HydrophobicContact CB-CB 4.03Å; H499-W509 AromaticContact CD2-CD1 3.66Å; H499-W509 PolarHBondContact N-O 3.04Å; H499-W509 PolarHBondContact O-N 3.17Å
510	E	89.9	Confident	91.2	Very high	111 Å²	111	68.6 Å²	68.6	52%	0.519	39%	0.386	S	S	.	.			trans	-123	89	172	-69.4	-174.1	166.5	0	0	108	K21 Y22 I508	K21-E510 WeakPolarHBondContact CE-O 3.28Å; K21-E510 PolarHBondContact NZ-O 2.86Å; Y22-E510 VanDerWaalsContact OH-C 3.28Å; Y22-E510 PolarHBondContact OH-O 3.28Å; I508-E510 HydrophobicContact CD1-CG 3.94Å; I508-E510 WeakPolarHBondContact CD1-OE1 3.33Å; I508-E510 HydrophobicContact CG1-CG 4.26Å
511	P	82.6	Confident	91	Very high	14 Å²	14	66.1 Å²	66.1	9%	0.091	36%	0.361	C	S	.	.			trans	-66.7	153.3	-179	26.3	-29.9	0	0	0	111.6	K21 Y22 D496	K21-P511 VanDerWaalsContact CE-C 3.43Å; K21-P511 PolarHBondContact NZ-O 3.34Å; Y22-P511 WeakPolarHBondContact OH-CA 3.48Å; D496-P511 VanDerWaalsContact CA-CG 3.48Å; D496-P511 WeakPolarHBondContact O-CG 3.48Å
512	S	66	Low	90.6	Very high	71 Å²	71	62.7 Å²	62.7	50%	0.497	35%	0.345	S	S	.	.			trans	-67.4	0	-174.8	61.2	0	0	0	0	114	K21	K21-S512 VanDerWaalsContact CE-N 3.26Å

Retrieved 512 of 512 residues in 845.3 ms (Link to these results)

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