A0A077ZIL2_TRITR Loading...

Exo endo phos domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIL2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 518 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.4	Very low	31.7	Very low	237 Å²	237	153.7 Å²	153.7	100%	1.167	82%	0.818	S	S	*	*				0	107	0	-68.4	178.7	-149.3	0	0	106.8	E3	M1-E3 PolarHBondContact O-N 3.34Å; M1-E3 VanDerWaalsContact O-N 3.14Å
2	T	31.5	Very low	31.8	Very low	139 Å²	139	148.3 Å²	148.3	85%	0.853	80%	0.795	S	S	*	*			trans	-71.6	100.9	173.8	37.4	0	0	0	0	107.8	Q4	T2-Q4 PolarHBondContact O-N 3.25Å
3	E	33.1	Very low	32.1	Very low	170 Å²	170	139.8 Å²	139.8	79%	0.794	75%	0.754	S	S	*	*			trans	-60	107.6	170	-77.5	-179.1	161	0	0	108.3	M1 Y5	M1-E3 PolarHBondContact O-N 3.34Å; M1-E3 VanDerWaalsContact O-N 3.14Å; E3-Y5 PolarHBondContact O-N 2.9Å
4	Q	29.5	Very low	32.4	Very low	184 Å²	184	140.9 Å²	140.9	86%	0.86	75%	0.751	S	S	*	*			trans	-63.5	104.4	170	-73.8	176.4	-25.3	0	0	107.4	T2 S6	T2-Q4 PolarHBondContact O-N 3.25Å; Q4-S6 VanDerWaalsContact C-N 3.27Å; Q4-S6 PolarHBondContact O-N 3.31Å
5	Y	31.5	Very low	32.7	Very low	220 Å²	220	134 Å²	134	86%	0.863	72%	0.718	S	S	*	*			trans	-59.2	96.6	161.4	-86	-89.3	0	0	0	107.6	E3 A7	E3-Y5 PolarHBondContact O-N 2.9Å; Y5-A7 PolarHBondContact O-N 3.2Å
6	S	29.3	Very low	32.9	Very low	107 Å²	107	134.3 Å²	134.3	75%	0.748	72%	0.719	S	S	*	*			trans	-57.1	113.6	165.5	58.2	0	0	0	0	106.9	Q4 S8	Q4-S6 VanDerWaalsContact C-N 3.27Å; Q4-S6 PolarHBondContact O-N 3.31Å; S6-S8 PolarHBondContact O-N 3.28Å
7	A	32.1	Very low	32.8	Very low	95 Å²	95	129.8 Å²	129.8	79%	0.785	70%	0.695	S	S	*	*			trans	-48.3	111.6	170.3	0	0	0	0	0	107.6	Y5 K9	Y5-A7 PolarHBondContact O-N 3.2Å; A7-K9 PolarHBondContact O-N 3.42Å
8	S	30.9	Very low	32.5	Very low	109 Å²	109	127.8 Å²	127.8	76%	0.762	69%	0.69	S	S	*	*			trans	-49.9	117.6	173.8	54	0	0	0	0	107	S6 S10	S6-S8 PolarHBondContact O-N 3.28Å; S8-S10 PolarHBondContact O-N 3.31Å
9	K	29.8	Very low	32.5	Very low	200 Å²	200	130.1 Å²	130.1	87%	0.87	70%	0.696	S	S	*	*			trans	-41.5	117.1	171.4	-72.5	178.8	176.3	179	0	107.2	A7 E11	A7-K9 PolarHBondContact O-N 3.42Å; K9-E11 PolarHBondContact O-N 3.48Å
10	S	33.4	Very low	32.5	Very low	94 Å²	94	127.3 Å²	127.3	66%	0.657	68%	0.68	S	S	*	*			trans	-53.6	113.7	172.6	53.3	0	0	0	0	106.9	S8 T12	S8-S10 PolarHBondContact O-N 3.31Å; S10-T12 PolarHBondContact O-N 3.26Å
11	E	33.5	Very low	32.4	Very low	136 Å²	136	129.3 Å²	129.3	64%	0.636	68%	0.683	S	S	*	*			trans	-60.8	87.9	166.3	-68.8	178.1	166.5	0	0	106.5	K9 C13	K9-E11 PolarHBondContact O-N 3.48Å; E11-C13 PolarHBondContact O-N 3.41Å; E11-C13 VanDerWaalsContact O-N 3.11Å
12	T	32.6	Very low	32.6	Very low	88 Å²	88	120.2 Å²	120.2	54%	0.54	65%	0.646	S	S	.	*			trans	-67	108.6	173.5	38	0	0	0	0	107.1	S10 H14	S10-T12 PolarHBondContact O-N 3.26Å; T12-H14 PolarHBondContact O-CD2 3.21Å; T12-H14 PolarHBondContact O-N 3.25Å
13	C	35.1	Very low	32.7	Very low	39 Å²	39	116 Å²	116	26%	0.264	62%	0.62	S	S	.	*			trans	-59.1	105.5	170.1	177.2	0	0	0	0	108.4	E11 C15 T402	E11-C13 PolarHBondContact O-N 3.41Å; E11-C13 VanDerWaalsContact O-N 3.11Å; C13-C15 WeakPolarHBondContact CB-SG 3.45Å; C13-C15 PolarHBondContact O-N 3.37Å; C13-C15 PolarHBondContact O-SG 3.43Å; C13-C15 VanDerWaalsContact O-SG 3.37Å; C13-C15 WeakPolarHBondContact SG-CB 2.9Å; C13-C15 CovalentContact SG-SG 2.08Å; C13-C15 PolarHBondContact SG-SG 3.13Å; C13-T402 HydrophobicContact CB-CG2 4.35Å
14	H	37.3	Very low	32.6	Very low	154 Å²	154	117.9 Å²	117.9	71%	0.713	63%	0.626	S	S	*	*			trans	-78.5	63.1	165.4	-65.8	-67.9	0	0	0	108.9	T12 N16	T12-H14 PolarHBondContact O-CD2 3.21Å; T12-H14 PolarHBondContact O-N 3.25Å; H14-N16 PolarHBondContact O-N 3.49Å
15	C	35.9	Very low	32.9	Very low	38 Å²	38	112.8 Å²	112.8	26%	0.257	61%	0.608	S	S	.	*			trans	-79.1	68.7	170.1	11	0	0	0	0	107.8	C13 L17	C13-C15 WeakPolarHBondContact CB-SG 3.45Å; C13-C15 PolarHBondContact O-N 3.37Å; C13-C15 PolarHBondContact O-SG 3.43Å; C13-C15 VanDerWaalsContact O-SG 3.37Å; C13-C15 WeakPolarHBondContact SG-CB 2.9Å; C13-C15 CovalentContact SG-SG 2.08Å; C13-C15 PolarHBondContact SG-SG 3.13Å; C15-L17 PolarHBondContact O-N 3.15Å; C15-L17 VanDerWaalsContact O-N 3.09Å
16	N	36.2	Very low	33	Very low	138 Å²	138	107.2 Å²	107.2	74%	0.738	60%	0.601	S	S	*	*			trans	-60.5	112.4	160.5	-74	-19.4	0	0	0	105.3	H14 P18	H14-N16 PolarHBondContact O-N 3.49Å; N16-P18 WeakPolarHBondContact O-CD 3.35Å
17	L	31.5	Very low	33.4	Very low	58 Å²	58	104.2 Å²	104.2	30%	0.304	59%	0.587	S	S	.	*			trans	-57.4	109.6	166.4	-89.2	141.2	0	0	0	105.6	C15 E19 L20 P142 P463	C15-L17 PolarHBondContact O-N 3.15Å; C15-L17 VanDerWaalsContact O-N 3.09Å; L17-E19 PolarHBondContact O-N 2.95Å; L17-L20 HydrophobicContact CD2-CD1 4.37Å; L17-P142 HydrophobicContact CD2-CB 3.64Å; L17-P142 HydrophobicContact CD2-CG 3.84Å; L17-P142 HydrophobicContact CG-CG 4.49Å; L17-P463 HydrophobicContact CD1-CG 3.93Å
18	P	27.7	Very low	33.9	Very low	95 Å²	95	103.7 Å²	103.7	62%	0.617	59%	0.591	S	S	*	*			trans	-58.4	143.7	163.6	-10.2	27.3	0	0	0	105.5	N16 L20	N16-P18 WeakPolarHBondContact O-CD 3.35Å; P18-L20 VanDerWaalsContact C-N 3.3Å; P18-L20 PolarHBondContact O-N 3.26Å
19	E	31.4	Very low	34.9	Very low	170 Å²	170	100.7 Å²	100.7	79%	0.794	57%	0.566	S	S	*	*			trans	-47	106.7	160	-82.8	-176.4	156.7	0	0	106.7	L17 K21	L17-E19 PolarHBondContact O-N 2.95Å; E19-K21 PolarHBondContact O-N 2.86Å
20	L	33.9	Very low	36	Very low	74 Å²	74	95.3 Å²	95.3	39%	0.387	55%	0.551	S	S	.	*			trans	-71.3	79	176.6	-87.9	157.7	0	0	0	106	L17 P18 A22 P142	L17-L20 HydrophobicContact CD2-CD1 4.37Å; P18-L20 VanDerWaalsContact C-N 3.3Å; P18-L20 PolarHBondContact O-N 3.26Å; L20-A22 PolarHBondContact O-N 3.23Å; L20-P142 HydrophobicContact CD1-CB 3.83Å
21	K	30.6	Very low	37	Very low	171 Å²	171	96.4 Å²	96.4	74%	0.743	56%	0.559	S	S	*	*			trans	-54.3	135.1	147.3	-67.3	-174.1	179.3	-178.2	0	105.2	E19	E19-K21 PolarHBondContact O-N 2.86Å
22	A	37	Very low	38	Very low	46 Å²	46	98.1 Å²	98.1	38%	0.38	57%	0.567	S	S	.	*	S	Bend	trans	-39.1	136	176.1	0	0	0	0	0	109.5	L20 K24 L38	L20-A22 PolarHBondContact O-N 3.23Å; A22-K24 PolarHBondContact O-N 3.39Å; A22-L38 HydrophobicContact CB-CD1 4.12Å
23	P	33.8	Very low	39.5	Very low	49 Å²	49	97 Å²	97	32%	0.318	57%	0.573	S	S	.	*			trans	-45.1	130.6	-173	-26.6	32.2	0	0	0	110.3	V25 F40	P23-V25 WeakPolarHBondContact O-CG2 3.36Å; P23-V25 PolarHBondContact O-N 3.23Å; P23-F40 HydrophobicContact CB-CB 3.79Å; P23-F40 HydrophobicContact CG-CB 3.71Å; P23-F40 HydrophobicContact CG-CD2 4.44Å; P23-F40 HydrophobicContact CG-CG 4.18Å
24	K	31.8	Very low	41.3	Very low	210 Å²	210	96.6 Å²	96.6	91%	0.913	57%	0.567	S	S	*	*			trans	-51	111.1	-175.4	-79.3	-176.2	176.7	179.5	0	109.9	A22 S26	A22-K24 PolarHBondContact O-N 3.39Å; K24-S26 PolarHBondContact O-N 3.03Å
25	V	35	Very low	43.3	Very low	78 Å²	78	98.1 Å²	98.1	47%	0.473	57%	0.574	S	S	.	*			trans	-75.5	103.1	177.4	-175.1	0	0	0	0	108.2	P23 G27 P39	P23-V25 WeakPolarHBondContact O-CG2 3.36Å; P23-V25 PolarHBondContact O-N 3.23Å; V25-G27 WeakPolarHBondContact CG1-O 3.35Å; V25-P39 HydrophobicContact CG1-CG 3.84Å; V25-P39 HydrophobicContact CG2-CG 4.34Å; V25-P39 VanDerWaalsContact CG2-O 3.31Å; V25-P39 WeakPolarHBondContact CG2-O 3.27Å
26	S	33.5	Very low	45.6	Very low	102 Å²	102	97.5 Å²	97.5	71%	0.713	58%	0.575	S	S	*	*			trans	-101.3	86.6	165.5	60.4	0	0	0	0	108.6	K24	K24-S26 PolarHBondContact O-N 3.03Å
27	G	38	Very low	48.1	Very low	45 Å²	45	91.6 Å²	91.6	46%	0.464	54%	0.543	S	S	.	.	S	Bend	trans	150.8	110	176.4	0	0	0	0	0	110.9	V25 L29	V25-G27 WeakPolarHBondContact CG1-O 3.35Å; G27-L29 PolarHBondContact O-N 3.33Å
28	G	43.7	Very low	50.8	Low	84 Å²	84	91.4 Å²	91.4	87%	0.866	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-67.9	122.4	172.5	0	0	0	0	0	109.6
29	L	52.1	Low	53.8	Low	45 Å²	45	88 Å²	88	24%	0.236	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-60.7	157.7	163.1	-78	163.5	0	0	0	109.4	G27 S31 F34 P39 F318 P319	G27-L29 PolarHBondContact O-N 3.33Å; L29-S31 PolarHBondContact O-N 3.31Å; L29-F34 HydrophobicContact CB-CD2 4.28Å; L29-F34 HydrophobicContact CD1-CB 4.31Å; L29-F34 HydrophobicContact CD1-CG 4.47Å; L29-P39 HydrophobicContact CD1-CB 3.9Å; L29-P39 HydrophobicContact CD1-CG 3.56Å; L29-P39 HydrophobicContact CG-CB 4.46Å; L29-P39 HydrophobicContact CG-CG 4.14Å; L29-F318 HydrophobicContact CD1-CD2 4.46Å; L29-F318 HydrophobicContact CD1-CE2 4.03Å; L29-F318 HydrophobicContact CD2-CE2 4.27Å; L29-P319 HydrophobicContact CD2-CG 3.6Å
30	P	52.3	Low	56.7	Low	87 Å²	87	80.7 Å²	80.7	57%	0.565	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-50	131.6	166.4	-21.5	31.5	0	0	0	109.6	E32 F34	P30-E32 PolarHBondContact O-N 3.22Å; P30-E32 VanDerWaalsContact O-N 3.15Å; P30-F34 HydrophobicContact CB-CE2 4.45Å; P30-F34 WeakPolarHBondContact O-CD2 3.36Å
31	S	53.2	Low	59.5	Low	117 Å²	117	80.6 Å²	80.6	82%	0.818	48%	0.48	S	S	*	.	S	Bend	trans	-68.2	-13.9	-167.3	48.8	0	0	0	0	115.2	L29	L29-S31 PolarHBondContact O-N 3.31Å
32	E	56.5	Low	62.5	Low	172 Å²	172	72.9 Å²	72.9	80%	0.804	45%	0.446	S	S	*	.	S	Bend	trans	-101.9	123.7	-176.2	-67.8	-173.7	169.3	0	0	111.7	P30	P30-E32 PolarHBondContact O-N 3.22Å; P30-E32 VanDerWaalsContact O-N 3.15Å
33	G	63.7	Low	65.4	Low	64 Å²	64	73.1 Å²	73.1	66%	0.66	44%	0.439	S	S	*	.	S	Bend	trans	96.7	-2.7	168	0	0	0	0	0	117.3
34	F	72.7	Confident	68.5	Low	32 Å²	32	70.8 Å²	70.8	14%	0.14	42%	0.424	C	S	.	.			trans	-114.4	21.2	-179.2	-53.7	-64.8	0	0	0	114.6	L29 P30 G36 I37 G317 F318	L29-F34 HydrophobicContact CB-CD2 4.28Å; L29-F34 HydrophobicContact CD1-CB 4.31Å; L29-F34 HydrophobicContact CD1-CG 4.47Å; P30-F34 HydrophobicContact CB-CE2 4.45Å; P30-F34 WeakPolarHBondContact O-CD2 3.36Å; F34-G36 PolarHBondContact O-N 3.31Å; F34-I37 HydrophobicContact CB-CB 4.46Å; F34-I37 HydrophobicContact CB-CD1 4.03Å; F34-I37 HydrophobicContact CB-CG1 4.49Å; F34-I37 HydrophobicContact CD1-CD1 3.7Å; F34-I37 HydrophobicContact CG-CD1 4.35Å; F34-I37 WeakPolarHBondContact O-CB 3.33Å; F34-I37 PolarHBondContact O-N 3.48Å; F34-G317 VanDerWaalsContact CZ-C 3.42Å; F34-G317 WeakPolarHBondContact CZ-O 3.2Å; F34-F318 HydrophobicContact CD1-CB 4.49Å; F34-F318 HydrophobicContact CD1-CD2 4.44Å; F34-F318 VanDerWaalsContact CE1-CA 3.48Å; F34-F318 HydrophobicContact CE1-CB 3.97Å
35	E	78.8	Confident	71.6	Confident	185 Å²	185	61.1 Å²	61.1	86%	0.864	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	135.7	169.9	-69.8	-175.7	173.8	0	0	110.6	I37	E35-I37 VanDerWaalsContact C-N 3.35Å
36	G	85.2	Confident	74.7	Confident	26 Å²	26	57.4 Å²	57.4	27%	0.268	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	16	-178.9	0	0	0	0	0	115	F34 L352 E353	F34-G36 PolarHBondContact O-N 3.31Å; G36-L352 CarbonylContact O-C 3.6Å; G36-L352 WeakPolarHBondContact O-CA 3.14Å; G36-E353 WeakPolarHBondContact CA-OE2 3.39Å; G36-E353 PolarHBondContact O-N 3.02Å
37	I	87.4	Confident	77.8	Confident	13 Å²	13	52.5 Å²	52.5	7%	0.067	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128	175.5	-53	-178	0	0	0	110.3	F34 E35 P39 K315 F318 Y350 L352	F34-I37 HydrophobicContact CB-CB 4.46Å; F34-I37 HydrophobicContact CB-CD1 4.03Å; F34-I37 HydrophobicContact CB-CG1 4.49Å; F34-I37 HydrophobicContact CD1-CD1 3.7Å; F34-I37 HydrophobicContact CG-CD1 4.35Å; F34-I37 WeakPolarHBondContact O-CB 3.33Å; F34-I37 PolarHBondContact O-N 3.48Å; E35-I37 VanDerWaalsContact C-N 3.35Å; I37-P39 VanDerWaalsContact O-CD 3.23Å; I37-P39 WeakPolarHBondContact O-CD 3.46Å; I37-K315 HydrophobicContact CD1-CD 4.26Å; I37-K315 HydrophobicContact CD1-CG 3.96Å; I37-F318 HydrophobicContact CG2-CD2 4.22Å; I37-F318 HydrophobicContact CG2-CE2 4.12Å; I37-Y350 HydrophobicContact CG2-CD2 4.04Å; I37-Y350 HydrophobicContact CG2-CG 3.96Å; I37-L352 HydrophobicContact CG1-CD2 4.09Å
38	L	88.9	Confident	80.7	Confident	54 Å²	54	50.4 Å²	50.4	28%	0.283	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	96.4	173.3	-59.5	175.1	0	0	0	109.4	A22 Y350 L351 E353	A22-L38 HydrophobicContact CB-CD1 4.12Å; L38-Y350 VanDerWaalsContact O-CA 3.3Å; L38-Y350 WeakPolarHBondContact O-CA 3.49Å; L38-L351 HydrophobicContact CB-CB 4.36Å; L38-L351 PolarHBondContact N-O 2.88Å; L38-L351 PolarHBondContact O-N 3.19Å; L38-E353 HydrophobicContact CD1-CG 4.04Å; L38-E353 HydrophobicContact CD2-CG 3.89Å; L38-E353 HydrophobicContact CG-CG 3.66Å
39	P	90.5	Very high	83.3	Confident	24 Å²	24	46.4 Å²	46.4	16%	0.156	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	148.9	172.9	29.4	-36	0	0	0	110.9	V25 L29 I37 F318 S349	V25-P39 HydrophobicContact CG1-CG 3.84Å; V25-P39 HydrophobicContact CG2-CG 4.34Å; V25-P39 VanDerWaalsContact CG2-O 3.31Å; V25-P39 WeakPolarHBondContact CG2-O 3.27Å; L29-P39 HydrophobicContact CD1-CB 3.9Å; L29-P39 HydrophobicContact CD1-CG 3.56Å; L29-P39 HydrophobicContact CG-CB 4.46Å; L29-P39 HydrophobicContact CG-CG 4.14Å; I37-P39 VanDerWaalsContact O-CD 3.23Å; I37-P39 WeakPolarHBondContact O-CD 3.46Å; P39-F318 HydrophobicContact CB-CE2 4.07Å; P39-F318 HydrophobicContact CB-CZ 4.16Å; P39-S349 CarbonylContact C-O 3.6Å; P39-S349 WeakPolarHBondContact CA-O 3.47Å
40	F	92	Very high	85.5	Confident	17 Å²	17	44.3 Å²	44.3	8%	0.075	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	160.2	167.8	66.7	-85.6	0	0	0	111	P23 W42 V175 T348 S349 L351	P23-F40 HydrophobicContact CB-CB 3.79Å; P23-F40 HydrophobicContact CG-CB 3.71Å; P23-F40 HydrophobicContact CG-CD2 4.44Å; P23-F40 HydrophobicContact CG-CG 4.18Å; F40-W42 HydrophobicContact CE2-CB 4.42Å; F40-V175 HydrophobicContact CZ-CG1 4.2Å; F40-T348 CarbonylContact O-C 3.59Å; F40-S349 VanDerWaalsContact CZ-CB 3.4Å; F40-S349 WeakPolarHBondContact CZ-OG 3.15Å; F40-S349 PolarHBondContact N-O 3.36Å; F40-S349 PolarHBondContact O-N 2.79Å; F40-S349 VanDerWaalsContact O-O 3.1Å; F40-L351 HydrophobicContact CD1-CG 4.3Å; F40-L351 HydrophobicContact CE1-CD2 4.38Å; F40-L351 HydrophobicContact CE1-CG 3.9Å
41	Y	93.8	Very high	87.6	Confident	72 Å²	72	40.2 Å²	40.2	28%	0.282	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	138.7	173.3	-72.3	-83.1	0	0	0	110.8	E321 F323 M346 T348	Y41-E321 PolarHBondContact OH-OE2 3.44Å; Y41-E321 VanDerWaalsContact OH-OE2 3.07Å; Y41-F323 AromaticContact CE1-CD2 4Å; Y41-F323 HydrophobicContact CE1-CD2 4Å; Y41-F323 AromaticContact CE1-CE2 3.7Å; Y41-F323 HydrophobicContact CE1-CE2 3.7Å; Y41-M346 HydrophobicContact CD1-CB 4.21Å; Y41-M346 HydrophobicContact CD1-CE 3.64Å; Y41-M346 HydrophobicContact CD2-CE 4.22Å; Y41-M346 HydrophobicContact CE1-CE 4.21Å; Y41-M346 HydrophobicContact CG-CE 3.62Å; Y41-T348 HydrophobicContact CD1-CG2 3.73Å; Y41-T348 HydrophobicContact CE1-CG2 3.19Å
42	W	93.4	Very high	89.5	Confident	8 Å²	8	38 Å²	38	3%	0.03	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	104.5	176.4	-154.5	29.8	0	0	0	109.9	F40 T44 D77 M78 I139 I173 V175 V181 I347	F40-W42 HydrophobicContact CE2-CB 4.42Å; W42-T44 PolarHBondContact O-N 3.08Å; W42-T44 PolarHBondContact O-OG1 3.27Å; W42-D77 HydrophobicContact CG-CB 4.14Å; W42-M78 HydrophobicContact CE3-CE 4.12Å; W42-M78 HydrophobicContact CH2-CB 4.41Å; W42-M78 HydrophobicContact CH2-CE 4.17Å; W42-M78 HydrophobicContact CH2-SD 3.68Å; W42-M78 HydrophobicContact CZ2-CB 4.01Å; W42-M78 HydrophobicContact CZ2-SD 4.22Å; W42-M78 HydrophobicContact CZ3-CE 3.74Å; W42-M78 HydrophobicContact CZ3-SD 3.89Å; W42-I139 HydrophobicContact CH2-CD1 3.83Å; W42-I139 HydrophobicContact CZ2-CD1 3.56Å; W42-I139 HydrophobicContact CZ2-CG1 4.48Å; W42-I139 HydrophobicContact CZ2-CG2 4.29Å; W42-I173 HydrophobicContact CH2-CG2 4.2Å; W42-V175 HydrophobicContact CD2-CG1 4.04Å; W42-V175 HydrophobicContact CE3-CB 4.26Å; W42-V175 HydrophobicContact CE3-CG1 3.67Å; W42-V175 HydrophobicContact CE3-CG2 3.68Å; W42-V175 HydrophobicContact CH2-CG1 4.07Å; W42-V175 HydrophobicContact CH2-CG2 3.61Å; W42-V175 HydrophobicContact CZ2-CG1 4.35Å; W42-V175 HydrophobicContact CZ3-CB 4.03Å; W42-V175 HydrophobicContact CZ3-CG1 3.76Å; W42-V175 HydrophobicContact CZ3-CG2 3.06Å; W42-V181 HydrophobicContact CE3-CG2 4.41Å; W42-V181 HydrophobicContact CZ3-CG2 4.22Å; W42-I347 HydrophobicContact CB-CG1 3.84Å; W42-I347 HydrophobicContact CE3-CD1 4.01Å; W42-I347 PolarHBondContact N-O 3.36Å; W42-I347 WeakPolarHBondContact O-CG1 3.36Å; W42-I347 PolarHBondContact O-N 3.26Å; W42-I347 VanDerWaalsContact O-N 3.09Å
43	K	96.9	Very high	91	Very high	51 Å²	51	38.2 Å²	38.2	22%	0.222	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	112.5	-179.1	-172.2	168.9	168.8	-174	0	109.9	D75 F76 D77 M78 L345 M346	K43-D75 WeakPolarHBondContact CD-O 3.14Å; K43-D75 WeakPolarHBondContact CE-O 3.24Å; K43-D75 PolarHBondContact NZ-O 2.96Å; K43-D75 IonicContact NZ-OD2 3.45Å; K43-D75 PolarHBondContact NZ-OD2 2.95Å; K43-F76 HydrophobicContact CD-CD1 4.4Å; K43-F76 HydrophobicContact CG-CD1 3.93Å; K43-F76 HydrophobicContact CG-CE1 4.49Å; K43-D77 WeakPolarHBondContact CB-OD2 3.49Å; K43-D77 PolarHBondContact N-OD2 2.89Å; K43-D77 PolarHBondContact O-N 2.87Å; K43-M78 PolarHBondContact O-N 2.78Å; K43-M78 VanDerWaalsContact O-N 3.09Å; K43-L345 CarbonylContact C-O 3.53Å; K43-L345 WeakPolarHBondContact CA-O 3.36Å; K43-M346 HydrophobicContact CB-CG 4.17Å; K43-M346 HydrophobicContact CG-CG 4.21Å
44	T	98.3	Very high	92.2	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.4	-170.7	-62	0	0	0	0	110.6	W42 I46 M78 L224 L345	W42-T44 PolarHBondContact O-N 3.08Å; W42-T44 PolarHBondContact O-OG1 3.27Å; T44-I46 HydrophobicContact CG2-CD1 3.62Å; T44-I46 HydrophobicContact CG2-CG1 4.19Å; T44-M78 CarbonylContact C-O 3.57Å; T44-M78 VanDerWaalsContact CA-O 3.27Å; T44-M78 WeakPolarHBondContact CA-O 3.3Å; T44-M78 HydrophobicContact CG2-CB 4.33Å; T44-M78 HydrophobicContact CG2-CE 3.41Å; T44-M78 VanDerWaalsContact CG2-CE 3.41Å; T44-M78 HydrophobicContact CG2-CG 4.22Å; T44-M78 WeakPolarHBondContact OG1-CE 3.19Å; T44-L224 HydrophobicContact CG2-CD1 4.22Å; T44-L345 PolarHBondContact N-O 3.12Å; T44-L345 PolarHBondContact O-N 2.76Å
45	Q	98.3	Very high	92.8	Very high	7 Å²	7	38.3 Å²	38.3	3%	0.033	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.7	167.6	-165.6	178.1	36.1	0	0	110	I47 Y67 F76 M78 I79 V80	Q45-I47 HydrophobicContact CG-CD1 4.42Å; Q45-I47 HydrophobicContact CG-CG1 4.09Å; Q45-Y67 PolarHBondContact OE1-OH 2.96Å; Q45-F76 HydrophobicContact CB-CD1 3.74Å; Q45-F76 HydrophobicContact CB-CE1 3.8Å; Q45-F76 HydrophobicContact CB-CG 4.26Å; Q45-F76 HydrophobicContact CB-CZ 4.36Å; Q45-F76 HydrophobicContact CG-CE1 4.24Å; Q45-F76 HydrophobicContact CG-CZ 4.47Å; Q45-M78 PolarHBondContact N-O 3.01Å; Q45-I79 HydrophobicContact CB-CG1 4.42Å; Q45-I79 CarbonylContact O-C 3.51Å; Q45-I79 WeakPolarHBondContact O-CA 3.29Å; Q45-V80 PolarHBondContact O-N 3.09Å
46	I	98.8	Very high	93.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.9	171	-54.8	-56.4	0	0	0	108.1	T44 V80 L183 L224 F226 V304 S342 N343 L345	T44-I46 HydrophobicContact CG2-CD1 3.62Å; T44-I46 HydrophobicContact CG2-CG1 4.19Å; I46-V80 HydrophobicContact CD1-CB 3.56Å; I46-V80 HydrophobicContact CD1-CG1 4.21Å; I46-V80 HydrophobicContact CD1-CG2 3.56Å; I46-L183 HydrophobicContact CD1-CD2 4.15Å; I46-L224 HydrophobicContact CD1-CD1 3.87Å; I46-L224 HydrophobicContact CG1-CD1 4.22Å; I46-F226 HydrophobicContact CG2-CB 3.83Å; I46-F226 HydrophobicContact CG2-CD1 3.43Å; I46-F226 VanDerWaalsContact CG2-CD1 3.43Å; I46-F226 HydrophobicContact CG2-CD2 3.78Å; I46-F226 HydrophobicContact CG2-CE1 3.89Å; I46-F226 HydrophobicContact CG2-CE2 4.16Å; I46-F226 HydrophobicContact CG2-CG 3.39Å; I46-F226 HydrophobicContact CG2-CZ 4.23Å; I46-V304 HydrophobicContact CB-CG1 4.05Å; I46-V304 HydrophobicContact CG1-CG1 4.46Å; I46-V304 HydrophobicContact CG2-CG1 3.92Å; I46-V304 HydrophobicContact CG2-CG2 4.13Å; I46-S342 CarbonylContact O-C 3.04Å; I46-S342 WeakPolarHBondContact O-CA 3.28Å; I46-S342 VanDerWaalsContact O-CB 3.28Å; I46-S342 WeakPolarHBondContact O-CB 3.06Å; I46-N343 PolarHBondContact N-O 2.97Å; I46-N343 PolarHBondContact O-N 2.79Å; I46-L345 HydrophobicContact CG1-CD1 4.35Å
47	I	98.8	Very high	93.5	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	127.5	176.3	-53.8	176.4	0	0	0	107.9	Q45 F66 V80 V81 G82 F330 V341	Q45-I47 HydrophobicContact CG-CD1 4.42Å; Q45-I47 HydrophobicContact CG-CG1 4.09Å; I47-F66 HydrophobicContact CD1-CD2 3.56Å; I47-F66 HydrophobicContact CD1-CE2 3.91Å; I47-F66 HydrophobicContact CD1-CG 4.33Å; I47-F66 HydrophobicContact CG2-CE2 4.04Å; I47-F66 HydrophobicContact CG2-CZ 4.29Å; I47-V80 PolarHBondContact N-O 2.85Å; I47-V81 HydrophobicContact CB-CG2 4.48Å; I47-V81 HydrophobicContact CD1-CG2 4.49Å; I47-V81 CarbonylContact O-C 3.45Å; I47-V81 WeakPolarHBondContact O-CA 3.49Å; I47-G82 PolarHBondContact O-N 3.08Å; I47-F330 HydrophobicContact CD1-CE2 4.32Å; I47-F330 HydrophobicContact CG1-CE2 4.4Å; I47-F330 HydrophobicContact CG2-CE2 4.32Å; I47-V341 WeakPolarHBondContact CA-O 3.43Å
48	T	98.8	Very high	93.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	137.6	172.7	-175.3	0	0	0	0	111	G82 Q84 G227 D302 V304 P340 V341	T48-G82 CarbonylContact C-O 3.58Å; T48-G82 WeakPolarHBondContact CA-O 3.5Å; T48-Q84 PolarHBondContact OG1-NE2 2.98Å; T48-Q84 PolarHBondContact OG1-OE1 3.12Å; T48-G227 WeakPolarHBondContact OG1-CA 3.12Å; T48-G227 PolarHBondContact OG1-N 2.94Å; T48-D302 HydrophobicContact CG2-CB 3.99Å; T48-V304 HydrophobicContact CG2-CG2 4.18Å; T48-P340 CarbonylContact O-C 3.57Å; T48-P340 VanDerWaalsContact O-CA 3.29Å; T48-P340 WeakPolarHBondContact O-CA 3.29Å; T48-V341 HydrophobicContact CG2-CB 3.93Å; T48-V341 PolarHBondContact N-O 2.85Å; T48-V341 PolarHBondContact O-N 2.84Å
49	Y	98.5	Very high	93.6	Very high	1 Å²	1	36 Å²	36	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	112.9	-178.4	-174.3	-154.3	0	0	0	114	V51 F61 G82 L83 Q84 W104 V333 C335 S336 P340	Y49-V51 HydrophobicContact CD1-CG1 3.56Å; Y49-V51 HydrophobicContact CE1-CG1 3.68Å; Y49-V51 HydrophobicContact CG-CG1 4.06Å; Y49-V51 PolarHBondContact O-N 3.28Å; Y49-F61 AromaticContact CE1-CE2 3.97Å; Y49-F61 HydrophobicContact CE1-CE2 3.97Å; Y49-G82 PolarHBondContact N-O 3.09Å; Y49-L83 HydrophobicContact CD1-CD2 4.34Å; Y49-L83 VanDerWaalsContact O-CA 3.3Å; Y49-L83 WeakPolarHBondContact O-CA 3.14Å; Y49-Q84 PolarHBondContact O-N 3.44Å; Y49-Q84 VanDerWaalsContact O-N 3.08Å; Y49-Q84 PolarHBondContact O-OE1 3.09Å; Y49-W104 HydrophobicContact CD1-CZ3 4.47Å; Y49-W104 HydrophobicContact CE1-CH2 4.03Å; Y49-W104 HydrophobicContact CE1-CZ3 4.14Å; Y49-V333 HydrophobicContact CE1-CG1 4.05Å; Y49-V333 HydrophobicContact CE2-CG1 4.45Å; Y49-V333 WeakPolarHBondContact OH-CG1 3.26Å; Y49-C335 PolarHBondContact OH-SG 3.36Å; Y49-S336 WeakPolarHBondContact OH-CB 3.45Å; Y49-P340 HydrophobicContact CD1-CG 3.92Å; Y49-P340 HydrophobicContact CD2-CB 3.99Å; Y49-P340 HydrophobicContact CD2-CG 3.5Å; Y49-P340 VanDerWaalsContact CD2-CG 3.5Å; Y49-P340 HydrophobicContact CE1-CG 4.11Å; Y49-P340 HydrophobicContact CE2-CG 3.71Å; Y49-P340 HydrophobicContact CG-CB 3.94Å; Y49-P340 HydrophobicContact CG-CG 3.61Å
50	N	98.3	Very high	93.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	117.1	164.1	-173.7	-29.8	0	0	0	110.5	H52 Q84 E85 D228 S336 H338	N50-H52 PolarHBondContact OD1-N 2.73Å; N50-Q84 WeakPolarHBondContact CA-O 3.41Å; N50-Q84 HydrophobicContact CB-CB 4.22Å; N50-Q84 VanDerWaalsContact N-OE1 3.17Å; N50-E85 WeakPolarHBondContact OD1-CB 3.5Å; N50-E85 WeakPolarHBondContact OD1-CG 3.48Å; N50-D228 HydrophobicContact CB-CB 4.25Å; N50-D228 PolarHBondContact ND2-OD2 3.3Å; N50-S336 WeakPolarHBondContact O-CB 3.26Å; N50-S336 PolarHBondContact O-OG 2.78Å; N50-H338 HydrophobicContact CB-CB 4.1Å
51	V	96.6	Very high	93.6	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	20%	0.203	C	C	.	.			trans	-94.7	11.2	-174.7	-52.5	0	0	0	0	114.1	Y49 R53 V54 L83 Q84 E85 V86 W104	Y49-V51 HydrophobicContact CD1-CG1 3.56Å; Y49-V51 HydrophobicContact CE1-CG1 3.68Å; Y49-V51 HydrophobicContact CG-CG1 4.06Å; Y49-V51 PolarHBondContact O-N 3.28Å; V51-R53 PolarHBondContact O-N 3.09Å; V51-V54 VanDerWaalsContact O-CB 3.26Å; V51-V54 WeakPolarHBondContact O-CB 3.32Å; V51-V54 WeakPolarHBondContact O-CG2 3.24Å; V51-V54 PolarHBondContact O-N 3.12Å; V51-V54 VanDerWaalsContact O-N 3.14Å; V51-L83 HydrophobicContact CG1-CD2 4.27Å; V51-Q84 PolarHBondContact N-O 3.26Å; V51-E85 WeakPolarHBondContact CG2-O 3.11Å; V51-V86 HydrophobicContact CG2-CB 4.24Å; V51-V86 HydrophobicContact CG2-CG2 3.78Å; V51-W104 HydrophobicContact CB-CH2 4.11Å; V51-W104 HydrophobicContact CB-CZ2 3.71Å; V51-W104 HydrophobicContact CG1-CD2 4.3Å; V51-W104 HydrophobicContact CG1-CE3 4.27Å; V51-W104 HydrophobicContact CG1-CH2 3.73Å; V51-W104 HydrophobicContact CG1-CZ2 3.74Å; V51-W104 HydrophobicContact CG1-CZ3 3.99Å; V51-W104 HydrophobicContact CG2-CZ2 4.15Å
52	H	93.3	Very high	93.6	Very high	70 Å²	70	40.3 Å²	40.3	32%	0.324	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	48	172.5	-164	76.1	0	0	0	115.1	N50 V54 S336 D337	N50-H52 PolarHBondContact OD1-N 2.73Å; H52-V54 PolarHBondContact O-N 2.93Å; H52-S336 WeakPolarHBondContact CB-OG 3.43Å; H52-D337 VanDerWaalsContact CB-OD1 3.29Å; H52-D337 WeakPolarHBondContact CB-OD1 3.32Å; H52-D337 IonicContact CE1-OD1 3.5Å; H52-D337 IonicContact CE1-OD2 3.71Å; H52-D337 PolarHBondContact CE1-OD2 3.03Å; H52-D337 IonicContact CG-OD1 3.41Å; H52-D337 IonicContact ND1-OD1 2.66Å; H52-D337 PolarHBondContact ND1-OD1 3.09Å; H52-D337 IonicContact ND1-OD2 2.94Å; H52-D337 PolarHBondContact ND1-OD2 3.49Å
53	R	88.6	Confident	93.6	Very high	178 Å²	178	39.9 Å²	39.9	67%	0.672	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	12	177.4	-47.5	-179	-152.3	175	11.2	114.8	V51 L55 E85 G87	V51-R53 PolarHBondContact O-N 3.09Å; R53-L55 PolarHBondContact O-N 2.99Å; R53-L55 VanDerWaalsContact O-N 3.13Å; R53-E85 WeakPolarHBondContact CA-O 3.45Å; R53-E85 HydrophobicContact CG-CB 4.19Å; R53-E85 WeakPolarHBondContact CG-OE2 3.35Å; R53-E85 PolarHBondContact N-O 3.33Å; R53-E85 IonicContact NE-OE2 2.66Å; R53-E85 PolarHBondContact NE-OE2 3.17Å; R53-G87 WeakPolarHBondContact O-CA 3.14Å
54	V	87.6	Confident	93.4	Very high	38 Å²	38	40.2 Å²	40.2	23%	0.23	21%	0.207	C	C	.	.			trans	-62.8	115.6	172.2	175.1	0	0	0	0	108.9	V51 H52 T56 G87 W104	V51-V54 VanDerWaalsContact O-CB 3.26Å; V51-V54 WeakPolarHBondContact O-CB 3.32Å; V51-V54 WeakPolarHBondContact O-CG2 3.24Å; V51-V54 PolarHBondContact O-N 3.12Å; V51-V54 VanDerWaalsContact O-N 3.14Å; H52-V54 PolarHBondContact O-N 2.93Å; V54-T56 WeakPolarHBondContact CG1-O 3.42Å; V54-G87 PolarHBondContact O-N 2.96Å; V54-W104 HydrophobicContact CB-CZ2 4.18Å; V54-W104 HydrophobicContact CG1-CZ2 3.9Å; V54-W104 PolarHBondContact O-NE1 3.14Å
55	L	85.2	Confident	93.2	Very high	59 Å²	59	43 Å²	43	31%	0.309	22%	0.221	S	C	.	.	S	Bend	trans	-66.2	-43.1	-172.4	-179	61.6	0	0	0	112.7	R53 G87 C92 N96	R53-L55 PolarHBondContact O-N 2.99Å; R53-L55 VanDerWaalsContact O-N 3.13Å; L55-G87 WeakPolarHBondContact CD1-O 3.33Å; L55-C92 HydrophobicContact CD2-CB 4.11Å; L55-N96 WeakPolarHBondContact CD2-ND2 3.42Å
56	T	88.4	Confident	93	Very high	38 Å²	38	43.1 Å²	43.1	23%	0.233	22%	0.222	C	C	.	.	S	Bend	trans	-134.9	147.2	178.2	53.7	0	0	0	0	109.3	V54 K101	V54-T56 WeakPolarHBondContact CG1-O 3.42Å; T56-K101 HydrophobicContact CG2-CB 4.28Å
57	P	91.3	Very high	92.7	Very high	20 Å²	20	44.1 Å²	44.1	13%	0.13	23%	0.226	C	C	.	.			trans	-51.1	130	175.8	-22.4	30.2	0	0	0	111.2	F61 K102 W104 V107	P57-F61 HydrophobicContact CB-CB 4.41Å; P57-F61 HydrophobicContact CB-CD1 3.82Å; P57-F61 HydrophobicContact CB-CG 4.43Å; P57-K102 WeakPolarHBondContact CD-O 3.41Å; P57-W104 HydrophobicContact CB-CD2 4.32Å; P57-W104 HydrophobicContact CB-CE3 4.26Å; P57-W104 HydrophobicContact CB-CH2 4.36Å; P57-W104 HydrophobicContact CB-CZ2 4.42Å; P57-W104 HydrophobicContact CB-CZ3 4.29Å; P57-W104 HydrophobicContact CG-CB 4.31Å; P57-W104 HydrophobicContact CG-CD2 3.54Å; P57-W104 HydrophobicContact CG-CE3 3.7Å; P57-W104 HydrophobicContact CG-CG 3.81Å; P57-W104 HydrophobicContact CG-CZ2 4.44Å; P57-W104 HydrophobicContact CG-CZ3 4.23Å; P57-V107 HydrophobicContact CB-CG2 4.32Å; P57-V107 HydrophobicContact CG-CB 4.27Å; P57-V107 HydrophobicContact CG-CG2 3.83Å
58	P	90.7	Very high	91.8	Very high	39 Å²	39	48.8 Å²	48.8	25%	0.253	26%	0.256	S	S	.	.			trans	-67.9	161.5	175.4	29.5	-34	0	0	0	110.4	N60 F61 C335	P58-N60 WeakPolarHBondContact CB-OD1 3.41Å; P58-N60 WeakPolarHBondContact CG-OD1 3.39Å; P58-N60 PolarHBondContact O-N 3.39Å; P58-N60 VanDerWaalsContact O-N 3.14Å; P58-F61 HydrophobicContact CG-CB 3.85Å; P58-F61 WeakPolarHBondContact O-CB 3.38Å; P58-F61 PolarHBondContact O-N 3.4Å; P58-C335 HydrophobicContact CG-CB 3.5Å; P58-C335 VanDerWaalsContact CG-CB 3.5Å
59	S	88.1	Confident	90.4	Very high	134 Å²	134	55 Å²	55	94%	0.937	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-27.2	-175.9	51	0	0	0	0	114.1
60	N	88.3	Confident	88.9	Confident	105 Å²	105	62.1 Å²	62.1	56%	0.561	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-1.4	177.1	68	-25.9	0	0	0	114	P58	P58-N60 WeakPolarHBondContact CB-OD1 3.41Å; P58-N60 WeakPolarHBondContact CG-OD1 3.39Å; P58-N60 PolarHBondContact O-N 3.39Å; P58-N60 VanDerWaalsContact O-N 3.14Å
61	F	93.8	Very high	87.6	Confident	10 Å²	10	63.3 Å²	63.3	4%	0.044	34%	0.335	C	S	.	.			trans	-92.7	128.8	172.7	177.8	-87	0	0	0	110.3	Y49 P57 P58 P63 F66 W104 V107 F108 V333	Y49-F61 AromaticContact CE1-CE2 3.97Å; Y49-F61 HydrophobicContact CE1-CE2 3.97Å; P57-F61 HydrophobicContact CB-CB 4.41Å; P57-F61 HydrophobicContact CB-CD1 3.82Å; P57-F61 HydrophobicContact CB-CG 4.43Å; P58-F61 HydrophobicContact CG-CB 3.85Å; P58-F61 WeakPolarHBondContact O-CB 3.38Å; P58-F61 PolarHBondContact O-N 3.4Å; F61-P63 HydrophobicContact CE1-CG 4.31Å; F61-F66 HydrophobicContact CE2-CZ 4.34Å; F61-F66 HydrophobicContact CZ-CZ 4.19Å; F61-W104 HydrophobicContact CD1-CE3 4.48Å; F61-W104 HydrophobicContact CD1-CH2 4.31Å; F61-W104 AromaticContact CD1-CZ3 3.75Å; F61-W104 HydrophobicContact CD1-CZ3 3.75Å; F61-W104 HydrophobicContact CD2-CH2 4.23Å; F61-W104 HydrophobicContact CD2-CZ3 4.09Å; F61-W104 HydrophobicContact CE1-CE3 4.09Å; F61-W104 HydrophobicContact CE1-CH2 4.45Å; F61-W104 AromaticContact CE1-CZ3 3.52Å; F61-W104 HydrophobicContact CE1-CZ3 3.52Å; F61-W104 HydrophobicContact CE2-CH2 4.37Å; F61-W104 AromaticContact CE2-CZ3 3.88Å; F61-W104 HydrophobicContact CE2-CZ3 3.88Å; F61-W104 HydrophobicContact CG-CH2 4.2Å; F61-W104 HydrophobicContact CG-CZ3 4.04Å; F61-W104 HydrophobicContact CZ-CE3 4.4Å; F61-W104 HydrophobicContact CZ-CH2 4.5Å; F61-W104 AromaticContact CZ-CZ3 3.6Å; F61-W104 HydrophobicContact CZ-CZ3 3.6Å; F61-V107 HydrophobicContact CE1-CG1 4.48Å; F61-F108 HydrophobicContact CE1-CE1 4.49Å; F61-F108 HydrophobicContact CE1-CE2 4.49Å; F61-F108 HydrophobicContact CE1-CZ 4.04Å; F61-F108 HydrophobicContact CZ-CE1 4.22Å; F61-F108 HydrophobicContact CZ-CE2 4.46Å; F61-F108 AromaticContact CZ-CZ 3.7Å; F61-F108 HydrophobicContact CZ-CZ 3.7Å; F61-V333 HydrophobicContact CD2-CG1 4.16Å; F61-V333 HydrophobicContact CE2-CG1 4.13Å
62	H	93.4	Very high	86.6	Confident	87 Å²	87	67.5 Å²	67.5	40%	0.403	36%	0.361	S	S	.	.			trans	-147.8	138.1	170.1	-169.3	-100.9	0	0	0	111	R64 M65 F111	H62-R64 WeakPolarHBondContact ND1-CB 3.23Å; H62-R64 PolarHBondContact ND1-N 3Å; H62-R64 PolarHBondContact O-N 3.12Å; H62-M65 PolarHBondContact N-SD 3.2Å; H62-M65 VanDerWaalsContact N-SD 3.37Å; H62-M65 WeakPolarHBondContact O-CB 3.33Å; H62-M65 WeakPolarHBondContact O-CG 3.46Å; H62-M65 PolarHBondContact O-N 2.91Å; H62-M65 VanDerWaalsContact O-SD 3.39Å; H62-F111 AromaticContact CE1-CD2 3.41Å; H62-F111 VanDerWaalsContact CE1-CD2 3.41Å; H62-F111 WeakPolarHBondContact CE1-CD2 3.34Å; H62-F111 AromaticContact CE1-CE2 3.8Å
63	P	94.6	Very high	86.1	Confident	0 Å²	0	72 Å²	72	0%	0	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-58.7	-18.6	-179.1	-26	34.5	0	0	0	114.6	F61 M65 F66 V107 F108 F111	F61-P63 HydrophobicContact CE1-CG 4.31Å; P63-M65 PolarHBondContact O-N 2.97Å; P63-M65 VanDerWaalsContact O-N 3.17Å; P63-F66 PolarHBondContact O-N 3.5Å; P63-V107 VanDerWaalsContact CD-CG1 3.44Å; P63-V107 HydrophobicContact CG-CG1 3.79Å; P63-F108 HydrophobicContact CB-CD1 3.72Å; P63-F108 HydrophobicContact CB-CE1 3.79Å; P63-F108 HydrophobicContact CG-CD1 3.44Å; P63-F108 VanDerWaalsContact CG-CD1 3.44Å; P63-F108 HydrophobicContact CG-CE1 3.65Å; P63-F108 HydrophobicContact CG-CG 4.18Å; P63-F111 HydrophobicContact CB-CB 4.07Å; P63-F111 HydrophobicContact CB-CD1 3.62Å; P63-F111 HydrophobicContact CB-CD2 4.32Å; P63-F111 HydrophobicContact CB-CE1 4.09Å; P63-F111 HydrophobicContact CB-CG 3.74Å; P63-F111 HydrophobicContact CG-CB 4.03Å; P63-F111 HydrophobicContact CG-CD1 4.48Å; P63-F111 HydrophobicContact CG-CG 4.23Å
64	R	92.8	Very high	86.2	Confident	57 Å²	57	64.1 Å²	64.1	22%	0.215	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-53	-32	170.9	-178.2	63.1	65.4	83.6	16.9	112.4	H62 F66 Y67 D69 F111 R115	H62-R64 WeakPolarHBondContact ND1-CB 3.23Å; H62-R64 PolarHBondContact ND1-N 3Å; H62-R64 PolarHBondContact O-N 3.12Å; R64-F66 PolarHBondContact O-N 2.91Å; R64-Y67 PolarHBondContact O-N 2.86Å; R64-D69 PolarHBondContact NH1-O 2.86Å; R64-F111 HydrophobicContact CB-CE2 3.78Å; R64-F111 HydrophobicContact CB-CZ 4.25Å; R64-R115 VanDerWaalsContact CZ-NH2 3.34Å
65	M	93.4	Very high	86.4	Confident	59 Å²	59	67.1 Å²	67.1	29%	0.291	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-59.9	-14	-179	-63.8	161.5	50.1	0	0	114.2	H62 P63 Y67 V333	H62-M65 PolarHBondContact N-SD 3.2Å; H62-M65 VanDerWaalsContact N-SD 3.37Å; H62-M65 WeakPolarHBondContact O-CB 3.33Å; H62-M65 WeakPolarHBondContact O-CG 3.46Å; H62-M65 PolarHBondContact O-N 2.91Å; H62-M65 VanDerWaalsContact O-SD 3.39Å; P63-M65 PolarHBondContact O-N 2.97Å; P63-M65 VanDerWaalsContact O-N 3.17Å; M65-Y67 VanDerWaalsContact C-N 3.27Å; M65-V333 HydrophobicContact CE-CB 3.89Å; M65-V333 HydrophobicContact CE-CG1 4.16Å; M65-V333 HydrophobicContact CE-CG2 3.44Å; M65-V333 VanDerWaalsContact CE-CG2 3.44Å
66	F	94.2	Very high	86.9	Confident	10 Å²	10	65.3 Å²	65.3	4%	0.044	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-83.9	-3.1	175	-56.8	-22.4	0	0	0	113.3	I47 F61 P63 R64 F108 F330 V333 P340	I47-F66 HydrophobicContact CD1-CD2 3.56Å; I47-F66 HydrophobicContact CD1-CE2 3.91Å; I47-F66 HydrophobicContact CD1-CG 4.33Å; I47-F66 HydrophobicContact CG2-CE2 4.04Å; I47-F66 HydrophobicContact CG2-CZ 4.29Å; F61-F66 HydrophobicContact CE2-CZ 4.34Å; F61-F66 HydrophobicContact CZ-CZ 4.19Å; P63-F66 PolarHBondContact O-N 3.5Å; R64-F66 PolarHBondContact O-N 2.91Å; F66-F108 HydrophobicContact CD2-CE1 4.47Å; F66-F108 AromaticContact CE2-CE1 3.63Å; F66-F108 HydrophobicContact CE2-CE1 3.63Å; F66-F108 HydrophobicContact CE2-CZ 4.11Å; F66-F108 HydrophobicContact CZ-CE1 4.34Å; F66-F108 HydrophobicContact CZ-CZ 4.44Å; F66-F330 HydrophobicContact CB-CD1 4.33Å; F66-F330 HydrophobicContact CB-CD2 4.27Å; F66-F330 HydrophobicContact CB-CE1 3.9Å; F66-F330 HydrophobicContact CB-CE2 3.83Å; F66-F330 HydrophobicContact CB-CZ 3.63Å; F66-F330 HydrophobicContact CD1-CB 4.01Å; F66-F330 HydrophobicContact CD1-CD1 4.1Å; F66-F330 AromaticContact CD1-CD2 3.28Å; F66-F330 HydrophobicContact CD1-CD2 3.28Å; F66-F330 HydrophobicContact CD1-CE1 4.43Å; F66-F330 AromaticContact CD1-CE2 3.67Å; F66-F330 HydrophobicContact CD1-CE2 3.67Å; F66-F330 AromaticContact CD1-CG 3.54Å; F66-F330 HydrophobicContact CD1-CG 3.54Å; F66-F330 HydrophobicContact CD1-CZ 4.25Å; F66-F330 HydrophobicContact CD2-CE2 4.36Å; F66-F330 HydrophobicContact CE1-CB 4.24Å; F66-F330 AromaticContact CE1-CD2 3.68Å; F66-F330 HydrophobicContact CE1-CD2 3.68Å; F66-F330 HydrophobicContact CE1-CE2 4.3Å; F66-F330 HydrophobicContact CE1-CG 4.11Å; F66-F330 AromaticContact CG-CD2 3.85Å; F66-F330 HydrophobicContact CG-CD2 3.85Å; F66-F330 HydrophobicContact CG-CE1 4.49Å; F66-F330 AromaticContact CG-CE2 3.71Å; F66-F330 HydrophobicContact CG-CE2 3.71Å; F66-F330 HydrophobicContact CG-CG 4.31Å; F66-F330 HydrophobicContact CG-CZ 4.07Å; F66-F330 HydrophobicContact CZ-CD2 4.48Å; F66-F330 VanDerWaalsContact O-CE1 3.26Å; F66-F330 WeakPolarHBondContact O-CE1 3.43Å; F66-V333 HydrophobicContact CD1-CG2 4.32Å; F66-V333 HydrophobicContact CE1-CG2 3.77Å; F66-P340 HydrophobicContact CE1-CB 4.32Å; F66-P340 HydrophobicContact CE1-CG 4.1Å; F66-P340 HydrophobicContact CZ-CG 4.43Å
67	Y	92.5	Very high	87.3	Confident	21 Å²	21	64.7 Å²	64.7	8%	0.082	35%	0.352	C	S	.	.	S	Bend	trans	-136.9	153.8	-173	-52.7	-73.1	0	0	0	110.2	Q45 R64 M65 L74 F76 F111 Y112	Q45-Y67 PolarHBondContact OE1-OH 2.96Å; R64-Y67 PolarHBondContact O-N 2.86Å; M65-Y67 VanDerWaalsContact C-N 3.27Å; Y67-L74 HydrophobicContact CD1-CD2 3.59Å; Y67-L74 HydrophobicContact CD2-CD2 4Å; Y67-L74 HydrophobicContact CE1-CD1 4.43Å; Y67-L74 HydrophobicContact CE1-CD2 3.82Å; Y67-L74 HydrophobicContact CE2-CD1 4.04Å; Y67-L74 HydrophobicContact CE2-CD2 4.19Å; Y67-L74 HydrophobicContact CG-CD2 3.68Å; Y67-F76 HydrophobicContact CD1-CE2 4.49Å; Y67-F76 AromaticContact CE1-CE2 3.79Å; Y67-F76 HydrophobicContact CE1-CE2 3.79Å; Y67-F111 AromaticContact CD2-CE1 3.9Å; Y67-F111 HydrophobicContact CD2-CE1 3.9Å; Y67-F111 AromaticContact CD2-CZ 3.84Å; Y67-F111 HydrophobicContact CD2-CZ 3.84Å; Y67-F111 AromaticContact CE2-CE1 3.64Å; Y67-F111 HydrophobicContact CE2-CE1 3.64Å; Y67-F111 HydrophobicContact CE2-CZ 4.08Å; Y67-Y112 AromaticContact CE2-CE1 3.94Å; Y67-Y112 HydrophobicContact CE2-CE1 3.94Å; Y67-Y112 WeakPolarHBondContact OH-CE1 3.37Å; Y67-Y112 PolarHBondContact OH-OH 2.8Å; Y67-Y112 VanDerWaalsContact OH-OH 3.07Å
68	P	79.8	Confident	87.6	Confident	97 Å²	97	63.7 Å²	63.7	63%	0.63	35%	0.346	S	S	*	.			trans	-55.2	148	169.9	-23.4	32.1	0	0	0	112.2	D70 S71	P68-D70 PolarHBondContact O-N 2.92Å; P68-S71 WeakPolarHBondContact CD-OG 3.49Å; P68-S71 WeakPolarHBondContact O-CB 3.11Å; P68-S71 PolarHBondContact O-N 2.86Å; P68-S71 PolarHBondContact O-OG 2.8Å
69	D	68.3	Low	88	Confident	132 Å²	132	61.9 Å²	61.9	71%	0.706	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-25.2	-166.3	-75.2	-39.6	0	0	0	114.7	R64	R64-D69 PolarHBondContact NH1-O 2.86Å
70	D	67.2	Low	88.5	Confident	149 Å²	149	55.5 Å²	55.5	80%	0.797	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	9.4	-178.6	-59.2	-42.5	0	0	0	115.1	P68 V72	P68-D70 PolarHBondContact O-N 2.92Å; D70-V72 PolarHBondContact O-N 3.13Å
71	S	72	Confident	89	Confident	25 Å²	25	50.5 Å²	50.5	18%	0.175	26%	0.263	C	S	.	.			trans	-73.8	83.7	-174.8	-50.2	0	0	0	0	112	P68 R115	P68-S71 WeakPolarHBondContact CD-OG 3.49Å; P68-S71 WeakPolarHBondContact O-CB 3.11Å; P68-S71 PolarHBondContact O-N 2.86Å; P68-S71 PolarHBondContact O-OG 2.8Å; S71-R115 PolarHBondContact O-NH2 2.94Å
72	V	75.5	Confident	89.3	Confident	90 Å²	90	50 Å²	50	55%	0.545	26%	0.261	S	S	.	.	S	Bend	trans	-70	-43.4	169.7	-179.2	0	0	0	0	109.9	D70 R115	D70-V72 PolarHBondContact O-N 3.13Å; V72-R115 WeakPolarHBondContact O-CG 3.41Å
73	H	82.3	Confident	89.5	Confident	165 Å²	165	45.9 Å²	45.9	76%	0.764	24%	0.242	S	C	*	.	S	Bend	trans	-101.2	126	179.3	-62.1	-64.5	0	0	0	110.7
74	L	91	Very high	89.6	Confident	11 Å²	11	45.9 Å²	45.9	6%	0.058	24%	0.242	C	C	.	.			trans	-100.7	112.1	173.1	-58.9	-178	0	0	0	108.9	Y67 F76 I79 F111 Y112 R115 F117	Y67-L74 HydrophobicContact CD1-CD2 3.59Å; Y67-L74 HydrophobicContact CD2-CD2 4Å; Y67-L74 HydrophobicContact CE1-CD1 4.43Å; Y67-L74 HydrophobicContact CE1-CD2 3.82Å; Y67-L74 HydrophobicContact CE2-CD1 4.04Å; Y67-L74 HydrophobicContact CE2-CD2 4.19Å; Y67-L74 HydrophobicContact CG-CD2 3.68Å; L74-F76 HydrophobicContact CB-CD2 4.16Å; L74-F76 PolarHBondContact O-N 3.15Å; L74-I79 HydrophobicContact CD1-CD1 4.04Å; L74-F111 HydrophobicContact CD1-CE1 4.03Å; L74-Y112 HydrophobicContact CD1-CD1 3.72Å; L74-Y112 HydrophobicContact CD1-CE1 3.71Å; L74-R115 HydrophobicContact CD1-CB 4.42Å; L74-R115 HydrophobicContact CG-CB 4.47Å; L74-F117 HydrophobicContact CB-CE2 3.89Å; L74-F117 HydrophobicContact CB-CZ 4.07Å; L74-F117 HydrophobicContact CD1-CE2 4.32Å
75	D	91.6	Very high	89.7	Confident	101 Å²	101	45.1 Å²	45.1	54%	0.54	24%	0.241	S	C	.	.			trans	-80.8	66.2	178.4	-178.8	38.4	0	0	0	111.5	K43 R140	K43-D75 WeakPolarHBondContact CD-O 3.14Å; K43-D75 WeakPolarHBondContact CE-O 3.24Å; K43-D75 PolarHBondContact NZ-O 2.96Å; K43-D75 IonicContact NZ-OD2 3.45Å; K43-D75 PolarHBondContact NZ-OD2 2.95Å; D75-R140 IonicContact OD1-NH2 3.65Å
76	F	96.3	Very high	89.6	Confident	22 Å²	22	43 Å²	43	10%	0.096	23%	0.231	C	C	.	.			trans	-137.3	143.5	171.2	-57.9	-83.6	0	0	0	110.2	K43 Q45 Y67 L74 I79 F117 R140 T344	K43-F76 HydrophobicContact CD-CD1 4.4Å; K43-F76 HydrophobicContact CG-CD1 3.93Å; K43-F76 HydrophobicContact CG-CE1 4.49Å; Q45-F76 HydrophobicContact CB-CD1 3.74Å; Q45-F76 HydrophobicContact CB-CE1 3.8Å; Q45-F76 HydrophobicContact CB-CG 4.26Å; Q45-F76 HydrophobicContact CB-CZ 4.36Å; Q45-F76 HydrophobicContact CG-CE1 4.24Å; Q45-F76 HydrophobicContact CG-CZ 4.47Å; Y67-F76 HydrophobicContact CD1-CE2 4.49Å; Y67-F76 AromaticContact CE1-CE2 3.79Å; Y67-F76 HydrophobicContact CE1-CE2 3.79Å; L74-F76 HydrophobicContact CB-CD2 4.16Å; L74-F76 PolarHBondContact O-N 3.15Å; F76-I79 HydrophobicContact CB-CD1 4.17Å; F76-I79 HydrophobicContact CB-CG1 3.77Å; F76-I79 HydrophobicContact CD2-CD1 4.21Å; F76-I79 HydrophobicContact CD2-CG1 4.4Å; F76-I79 HydrophobicContact CG-CD1 4.47Å; F76-I79 HydrophobicContact CG-CG1 4.2Å; F76-F117 HydrophobicContact CB-CE1 4.43Å; F76-F117 HydrophobicContact CB-CZ 4.36Å; F76-F117 WeakPolarHBondContact O-CE1 3.41Å; F76-F117 WeakPolarHBondContact O-CZ 3.24Å; F76-R140 VanDerWaalsContact N-NH2 3.14Å; F76-R140 PolarHBondContact O-NE 3.15Å; F76-R140 PolarHBondContact O-NH2 2.79Å; F76-T344 HydrophobicContact CD1-CG2 4.44Å; F76-T344 HydrophobicContact CE1-CG2 3.67Å
77	D	96.6	Very high	89	Confident	24 Å²	24	43.2 Å²	43.2	13%	0.128	24%	0.236	C	C	.	.	S	Bend	trans	-88.6	-32.2	174.3	-55.6	-68.9	0	0	0	111.7	W42 K43 I139 R140 V143	W42-D77 HydrophobicContact CG-CB 4.14Å; K43-D77 WeakPolarHBondContact CB-OD2 3.49Å; K43-D77 PolarHBondContact N-OD2 2.89Å; K43-D77 PolarHBondContact O-N 2.87Å; D77-I139 CarbonylContact O-C 3.47Å; D77-I139 WeakPolarHBondContact O-CA 3.39Å; D77-R140 PolarHBondContact O-N 3.39Å; D77-R140 IonicContact OD1-CZ 2.69Å; D77-R140 IonicContact OD1-NH1 3.69Å; D77-R140 PolarHBondContact OD1-NH1 3.43Å; D77-R140 IonicContact OD1-NH2 3.18Å; D77-V143 HydrophobicContact CB-CG2 4.46Å
78	M	98.2	Very high	87.9	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.4	175.5	177.3	162.1	69.4	0	0	110.7	W42 K43 T44 Q45 V80 V137 F138 I139 I173 V181 L183	W42-M78 HydrophobicContact CE3-CE 4.12Å; W42-M78 HydrophobicContact CH2-CB 4.41Å; W42-M78 HydrophobicContact CH2-CE 4.17Å; W42-M78 HydrophobicContact CH2-SD 3.68Å; W42-M78 HydrophobicContact CZ2-CB 4.01Å; W42-M78 HydrophobicContact CZ2-SD 4.22Å; W42-M78 HydrophobicContact CZ3-CE 3.74Å; W42-M78 HydrophobicContact CZ3-SD 3.89Å; K43-M78 PolarHBondContact O-N 2.78Å; K43-M78 VanDerWaalsContact O-N 3.09Å; T44-M78 CarbonylContact C-O 3.57Å; T44-M78 VanDerWaalsContact CA-O 3.27Å; T44-M78 WeakPolarHBondContact CA-O 3.3Å; T44-M78 HydrophobicContact CG2-CB 4.33Å; T44-M78 HydrophobicContact CG2-CE 3.41Å; T44-M78 VanDerWaalsContact CG2-CE 3.41Å; T44-M78 HydrophobicContact CG2-CG 4.22Å; T44-M78 WeakPolarHBondContact OG1-CE 3.19Å; Q45-M78 PolarHBondContact N-O 3.01Å; M78-V80 HydrophobicContact CE-CG2 4.31Å; M78-V80 HydrophobicContact CG-CG2 3.8Å; M78-V80 HydrophobicContact SD-CG2 4.02Å; M78-V137 HydrophobicContact CG-CG1 4.29Å; M78-V137 HydrophobicContact SD-CG1 3.97Å; M78-F138 CarbonylContact C-O 3.55Å; M78-F138 VanDerWaalsContact CA-O 3.31Å; M78-F138 WeakPolarHBondContact CA-O 3.14Å; M78-I139 HydrophobicContact CB-CD1 3.73Å; M78-I139 HydrophobicContact CG-CD1 3.53Å; M78-I139 HydrophobicContact SD-CD1 3.63Å; M78-I173 HydrophobicContact SD-CD1 3.88Å; M78-V181 HydrophobicContact CE-CG1 4.32Å; M78-L183 HydrophobicContact CE-CD2 4.47Å
79	I	98.6	Very high	87.3	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	125.4	172.1	-58.2	171.5	0	0	0	108	Q45 L74 F76 V81 Y112 F117 F138	Q45-I79 HydrophobicContact CB-CG1 4.42Å; Q45-I79 CarbonylContact O-C 3.51Å; Q45-I79 WeakPolarHBondContact O-CA 3.29Å; L74-I79 HydrophobicContact CD1-CD1 4.04Å; F76-I79 HydrophobicContact CB-CD1 4.17Å; F76-I79 HydrophobicContact CB-CG1 3.77Å; F76-I79 HydrophobicContact CD2-CD1 4.21Å; F76-I79 HydrophobicContact CD2-CG1 4.4Å; F76-I79 HydrophobicContact CG-CD1 4.47Å; F76-I79 HydrophobicContact CG-CG1 4.2Å; I79-V81 HydrophobicContact CG2-CG2 4.47Å; I79-Y112 HydrophobicContact CD1-CD1 3.71Å; I79-Y112 HydrophobicContact CD1-CE1 3.53Å; I79-Y112 HydrophobicContact CG2-CE1 4.06Å; I79-Y112 HydrophobicContact CG2-CE2 4.18Å; I79-F117 HydrophobicContact CD1-CD1 4.2Å; I79-F117 HydrophobicContact CD1-CE1 3.67Å; I79-F117 HydrophobicContact CD1-CE2 4.25Å; I79-F117 HydrophobicContact CD1-CZ 3.71Å; I79-F117 HydrophobicContact CG1-CD1 4.49Å; I79-F117 HydrophobicContact CG1-CE1 3.94Å; I79-F117 HydrophobicContact CG1-CZ 4.39Å; I79-F138 HydrophobicContact CB-CB 4.28Å; I79-F138 PolarHBondContact N-O 3.38Å; I79-F138 PolarHBondContact O-N 2.82Å
80	V	98.8	Very high	87.1	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.6	-177.4	-174.3	0	0	0	0	108.9	Q45 I46 I47 M78 L135 I136 V137 L183 F226	Q45-V80 PolarHBondContact O-N 3.09Å; I46-V80 HydrophobicContact CD1-CB 3.56Å; I46-V80 HydrophobicContact CD1-CG1 4.21Å; I46-V80 HydrophobicContact CD1-CG2 3.56Å; I47-V80 PolarHBondContact N-O 2.85Å; M78-V80 HydrophobicContact CE-CG2 4.31Å; M78-V80 HydrophobicContact CG-CG2 3.8Å; M78-V80 HydrophobicContact SD-CG2 4.02Å; V80-L135 HydrophobicContact CG1-CD1 3.53Å; V80-I136 CarbonylContact C-O 3.51Å; V80-I136 WeakPolarHBondContact CA-O 3.27Å; V80-V137 HydrophobicContact CG1-CG2 4.37Å; V80-V137 HydrophobicContact CG2-CG1 4.36Å; V80-L183 HydrophobicContact CG1-CD1 3.92Å; V80-L183 HydrophobicContact CG1-CD2 4.49Å; V80-L183 HydrophobicContact CG2-CD1 3.77Å; V80-L183 HydrophobicContact CG2-CD2 4.05Å; V80-F226 HydrophobicContact CG1-CE1 4.19Å; V80-F226 HydrophobicContact CG1-CE2 4.16Å; V80-F226 HydrophobicContact CG1-CZ 3.48Å; V80-F226 VanDerWaalsContact CG1-CZ 3.48Å
81	V	98.8	Very high	86.7	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	116.4	177.3	-175.3	0	0	0	0	109.1	I47 I79 L83 F108 Y112 I136	I47-V81 HydrophobicContact CB-CG2 4.48Å; I47-V81 HydrophobicContact CD1-CG2 4.49Å; I47-V81 CarbonylContact O-C 3.45Å; I47-V81 WeakPolarHBondContact O-CA 3.49Å; I79-V81 HydrophobicContact CG2-CG2 4.47Å; V81-L83 HydrophobicContact CG1-CD2 3.73Å; V81-L83 HydrophobicContact CG1-CG 4.14Å; V81-F108 HydrophobicContact CG1-CD2 4.34Å; V81-F108 HydrophobicContact CG1-CE1 4.29Å; V81-F108 HydrophobicContact CG1-CE2 3.96Å; V81-F108 HydrophobicContact CG1-CZ 3.92Å; V81-F108 HydrophobicContact CG2-CD1 4.31Å; V81-F108 HydrophobicContact CG2-CE1 4.43Å; V81-Y112 HydrophobicContact CG2-CE2 4.3Å; V81-I136 HydrophobicContact CB-CB 4.32Å; V81-I136 PolarHBondContact N-O 3.04Å; V81-I136 PolarHBondContact O-N 2.65Å
82	G	98.6	Very high	86.1	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	116.8	171.1	0	0	0	0	0	111.1	I47 T48 Y49 Q84 I134 N185	I47-G82 PolarHBondContact O-N 3.08Å; T48-G82 CarbonylContact C-O 3.58Å; T48-G82 WeakPolarHBondContact CA-O 3.5Å; Y49-G82 PolarHBondContact N-O 3.09Å; G82-Q84 PolarHBondContact O-NE2 3.01Å; G82-Q84 VanDerWaalsContact O-NE2 3.14Å; G82-I134 CarbonylContact C-O 3.54Å; G82-I134 WeakPolarHBondContact CA-O 3.28Å; G82-N185 VanDerWaalsContact CA-ND2 3.3Å; G82-N185 WeakPolarHBondContact CA-ND2 3.05Å
83	L	98.2	Very high	85.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	145.8	175.2	-51.4	177.2	0	0	0	110.8	Y49 V51 V81 V86 W104 F108 M133 I134 N185	Y49-L83 HydrophobicContact CD1-CD2 4.34Å; Y49-L83 VanDerWaalsContact O-CA 3.3Å; Y49-L83 WeakPolarHBondContact O-CA 3.14Å; V51-L83 HydrophobicContact CG1-CD2 4.27Å; V81-L83 HydrophobicContact CG1-CD2 3.73Å; V81-L83 HydrophobicContact CG1-CG 4.14Å; L83-V86 HydrophobicContact CB-CG2 3.81Å; L83-V86 HydrophobicContact CD1-CG2 4.11Å; L83-W104 HydrophobicContact CD1-CB 3.72Å; L83-W104 HydrophobicContact CD1-CD2 4.36Å; L83-W104 HydrophobicContact CD1-CE3 4.3Å; L83-W104 HydrophobicContact CD1-CG 4.18Å; L83-F108 HydrophobicContact CD1-CE2 4.07Å; L83-F108 HydrophobicContact CD2-CE2 4.15Å; L83-M133 VanDerWaalsContact O-CA 3.29Å; L83-M133 WeakPolarHBondContact O-CA 3.41Å; L83-I134 HydrophobicContact CB-CB 4.26Å; L83-I134 PolarHBondContact N-O 2.88Å; L83-I134 PolarHBondContact O-N 3.25Å; L83-N185 PolarHBondContact O-ND2 2.91Å
84	Q	97.3	Very high	84.5	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	157.2	172.6	-53.2	73.7	37.9	0	0	109.5	T48 Y49 N50 V51 G82 V86 G132 M133 N185 H187 D228	T48-Q84 PolarHBondContact OG1-NE2 2.98Å; T48-Q84 PolarHBondContact OG1-OE1 3.12Å; Y49-Q84 PolarHBondContact O-N 3.44Å; Y49-Q84 VanDerWaalsContact O-N 3.08Å; Y49-Q84 PolarHBondContact O-OE1 3.09Å; N50-Q84 WeakPolarHBondContact CA-O 3.41Å; N50-Q84 HydrophobicContact CB-CB 4.22Å; N50-Q84 VanDerWaalsContact N-OE1 3.17Å; V51-Q84 PolarHBondContact N-O 3.26Å; G82-Q84 PolarHBondContact O-NE2 3.01Å; G82-Q84 VanDerWaalsContact O-NE2 3.14Å; Q84-V86 PolarHBondContact O-N 2.93Å; Q84-V86 VanDerWaalsContact O-N 3.17Å; Q84-G132 CarbonylContact C-O 3.59Å; Q84-M133 HydrophobicContact CG-CG 4.42Å; Q84-N185 PolarHBondContact NE2-OD1 3.33Å; Q84-H187 HydrophobicContact CB-CB 4.28Å; Q84-H187 HydrophobicContact CG-CB 3.89Å; Q84-D228 HydrophobicContact CB-CB 4.4Å; Q84-D228 HydrophobicContact CG-CB 4.12Å
85	E	94.3	Very high	83.2	Confident	41 Å²	41	43.2 Å²	43.2	19%	0.192	23%	0.234	C	C	.	.			trans	48	37.6	-174.3	-55.3	-157.1	-176.9	0	0	114.7	N50 V51 R53 G87 G132 H187	N50-E85 WeakPolarHBondContact OD1-CB 3.5Å; N50-E85 WeakPolarHBondContact OD1-CG 3.48Å; V51-E85 WeakPolarHBondContact CG2-O 3.11Å; R53-E85 WeakPolarHBondContact CA-O 3.45Å; R53-E85 HydrophobicContact CG-CB 4.19Å; R53-E85 WeakPolarHBondContact CG-OE2 3.35Å; R53-E85 PolarHBondContact N-O 3.33Å; R53-E85 IonicContact NE-OE2 2.66Å; R53-E85 PolarHBondContact NE-OE2 3.17Å; E85-G87 PolarHBondContact O-N 3.5Å; E85-G132 PolarHBondContact N-O 2.95Å; E85-H187 WeakPolarHBondContact CG-CE1 3.41Å; E85-H187 IonicContact OE1-CE1 2.7Å; E85-H187 PolarHBondContact OE1-CE1 3.01Å; E85-H187 IonicContact OE1-NE2 3.35Å
86	V	92.1	Very high	81.9	Confident	13 Å²	13	39.5 Å²	39.5	8%	0.079	21%	0.213	C	C	.	.			trans	-62.7	127.8	164.1	179.6	0	0	0	0	107.9	V51 L83 Q84 Y88 G132 I134	V51-V86 HydrophobicContact CG2-CB 4.24Å; V51-V86 HydrophobicContact CG2-CG2 3.78Å; L83-V86 HydrophobicContact CB-CG2 3.81Å; L83-V86 HydrophobicContact CD1-CG2 4.11Å; Q84-V86 PolarHBondContact O-N 2.93Å; Q84-V86 VanDerWaalsContact O-N 3.17Å; V86-Y88 PolarHBondContact O-N 3.48Å; V86-Y88 VanDerWaalsContact O-N 3.17Å; V86-G132 PolarHBondContact N-O 2.83Å; V86-G132 VanDerWaalsContact O-CA 3.29Å; V86-G132 WeakPolarHBondContact O-CA 3.14Å; V86-I134 HydrophobicContact CB-CD1 4.25Å; V86-I134 HydrophobicContact CG1-CD1 4.19Å; V86-I134 HydrophobicContact CG2-CD1 3.91Å; V86-I134 HydrophobicContact CG2-CG1 4.18Å
87	G	81.7	Confident	80.2	Confident	16 Å²	16	42.3 Å²	42.3	17%	0.165	24%	0.236	C	C	.	.			trans	-52.7	124.3	178.6	0	0	0	0	0	110.4	R53 V54 L55 E85	R53-G87 WeakPolarHBondContact O-CA 3.14Å; V54-G87 PolarHBondContact O-N 2.96Å; L55-G87 WeakPolarHBondContact CD1-O 3.33Å; E85-G87 PolarHBondContact O-N 3.5Å
88	Y	69.3	Low	78.8	Confident	129 Å²	129	47.7 Å²	47.7	51%	0.506	26%	0.264	S	S	.	.			trans	-122.5	104.8	-178	-177	-97	0	0	0	110	V86 P90 V131	V86-Y88 PolarHBondContact O-N 3.48Å; V86-Y88 VanDerWaalsContact O-N 3.17Å; Y88-P90 HydrophobicContact CD1-CG 4.39Å; Y88-P90 HydrophobicContact CE1-CG 3.62Å; Y88-V131 HydrophobicContact CD1-CG1 4.25Å; Y88-V131 HydrophobicContact CG-CG1 4.41Å
89	I	65.6	Low	77.6	Confident	83 Å²	83	53.1 Å²	53.1	43%	0.426	29%	0.293	S	S	.	.			trans	-128.5	110.6	170.3	-55	171.9	0	0	0	107	S91 C92 Y93	I89-S91 VanDerWaalsContact C-N 3.28Å; I89-S91 VanDerWaalsContact CG2-OG 3.32Å; I89-S91 WeakPolarHBondContact CG2-OG 3.49Å; I89-S91 PolarHBondContact O-N 3.34Å; I89-C92 HydrophobicContact CB-CB 3.86Å; I89-C92 HydrophobicContact CG2-CB 4.09Å; I89-C92 PolarHBondContact O-N 3.24Å; I89-C92 VanDerWaalsContact O-N 3.15Å; I89-Y93 PolarHBondContact O-N 3.45Å; I89-Y93 VanDerWaalsContact O-N 3.08Å
90	P	64.2	Low	76.2	Confident	79 Å²	79	61.4 Å²	61.4	51%	0.513	33%	0.331	S	S	.	.	H	α-helix	trans	-52.5	-41.7	-179.1	-28.6	34.2	0	0	0	113.9	Y88 Y93	Y88-P90 HydrophobicContact CD1-CG 4.39Å; Y88-P90 HydrophobicContact CE1-CG 3.62Å; P90-Y93 WeakPolarHBondContact O-CB 3.33Å; P90-Y93 PolarHBondContact O-N 2.85Å
91	S	60.1	Low	74.8	Confident	87 Å²	87	66.6 Å²	66.6	61%	0.608	35%	0.354	S	S	*	.	H	α-helix	trans	-68.9	-39.8	178.8	53.6	0	0	0	0	112.9	I89 Y93 I94 A95	I89-S91 VanDerWaalsContact C-N 3.28Å; I89-S91 VanDerWaalsContact CG2-OG 3.32Å; I89-S91 WeakPolarHBondContact CG2-OG 3.49Å; I89-S91 PolarHBondContact O-N 3.34Å; S91-Y93 PolarHBondContact O-N 2.92Å; S91-I94 PolarHBondContact O-N 3.06Å; S91-A95 PolarHBondContact O-N 2.83Å
92	C	59.8	Low	74	Confident	38 Å²	38	72.7 Å²	72.7	26%	0.257	38%	0.38	S	S	.	.	H	α-helix	trans	-68.6	-20.7	175.1	-62.1	0	0	0	0	112.7	L55 I89 A95 N96	L55-C92 HydrophobicContact CD2-CB 4.11Å; I89-C92 HydrophobicContact CB-CB 3.86Å; I89-C92 HydrophobicContact CG2-CB 4.09Å; I89-C92 PolarHBondContact O-N 3.24Å; I89-C92 VanDerWaalsContact O-N 3.15Å; C92-A95 PolarHBondContact O-N 3.39Å; C92-N96 VanDerWaalsContact O-CB 3.27Å; C92-N96 WeakPolarHBondContact O-CB 3.46Å; C92-N96 PolarHBondContact O-N 2.82Å; C92-N96 PolarHBondContact O-ND2 2.89Å
93	Y	59.1	Low	73.5	Confident	120 Å²	120	74 Å²	74	47%	0.471	39%	0.389	S	S	.	.	H	α-helix	trans	-63.6	-46.7	176.1	-175.7	-91.8	0	0	0	111.5	I89 P90 S91 A95 N96 S97 R127	I89-Y93 PolarHBondContact O-N 3.45Å; I89-Y93 VanDerWaalsContact O-N 3.08Å; P90-Y93 WeakPolarHBondContact O-CB 3.33Å; P90-Y93 PolarHBondContact O-N 2.85Å; S91-Y93 PolarHBondContact O-N 2.92Å; Y93-A95 VanDerWaalsContact C-N 3.33Å; Y93-A95 PolarHBondContact O-N 2.87Å; Y93-N96 PolarHBondContact O-N 2.89Å; Y93-S97 WeakPolarHBondContact O-CB 3.45Å; Y93-S97 PolarHBondContact O-N 2.96Å; Y93-R127 PolarHBondContact OH-NH1 2.83Å
94	I	63.6	Low	73.3	Confident	113 Å²	113	74 Å²	74	58%	0.579	39%	0.389	S	S	*	.	H	α-helix	trans	-60.6	-47.1	175.3	-60.2	175.1	0	0	0	109.4	S91 N96 S97 L98	S91-I94 PolarHBondContact O-N 3.06Å; I94-N96 PolarHBondContact O-N 3.06Å; I94-S97 PolarHBondContact O-N 3.43Å; I94-L98 HydrophobicContact CG2-CD1 4.01Å; I94-L98 VanDerWaalsContact O-CG 3.3Å; I94-L98 WeakPolarHBondContact O-CG 3.3Å; I94-L98 PolarHBondContact O-N 2.85Å
95	A	64.5	Low	73.1	Confident	41 Å²	41	74.7 Å²	74.7	34%	0.339	39%	0.394	S	S	.	.	H	α-helix	trans	-61.3	-44.1	178.5	0	0	0	0	0	112.9	S91 C92 Y93 S97 L98 L99	S91-A95 PolarHBondContact O-N 2.83Å; C92-A95 PolarHBondContact O-N 3.39Å; Y93-A95 VanDerWaalsContact C-N 3.33Å; Y93-A95 PolarHBondContact O-N 2.87Å; A95-S97 VanDerWaalsContact C-N 3.34Å; A95-S97 PolarHBondContact O-N 2.85Å; A95-L98 PolarHBondContact O-N 2.98Å; A95-L99 WeakPolarHBondContact O-CB 3.39Å; A95-L99 VanDerWaalsContact O-CG 3.24Å; A95-L99 WeakPolarHBondContact O-CG 3.15Å; A95-L99 PolarHBondContact O-N 3.32Å
96	N	63.6	Low	72.9	Confident	22 Å²	22	75.5 Å²	75.5	12%	0.118	40%	0.399	C	S	.	.	H	α-helix	trans	-66	-37.4	178.6	-75.5	-14.4	0	0	0	112	L55 C92 Y93 I94 L99 Q100 K101	L55-N96 WeakPolarHBondContact CD2-ND2 3.42Å; C92-N96 VanDerWaalsContact O-CB 3.27Å; C92-N96 WeakPolarHBondContact O-CB 3.46Å; C92-N96 PolarHBondContact O-N 2.82Å; C92-N96 PolarHBondContact O-ND2 2.89Å; Y93-N96 PolarHBondContact O-N 2.89Å; I94-N96 PolarHBondContact O-N 3.06Å; N96-L99 CarbonylContact O-C 3.55Å; N96-L99 PolarHBondContact O-N 3.47Å; N96-Q100 PolarHBondContact O-N 2.96Å; N96-K101 HydrophobicContact CB-CB 4.32Å; N96-K101 PolarHBondContact O-N 3.49Å
97	S	61.5	Low	73	Confident	82 Å²	82	75.8 Å²	75.8	57%	0.573	40%	0.401	S	S	*	.	H	α-helix	trans	-63.1	-42.4	173.2	-170	0	0	0	0	111.4	Y93 I94 A95 Q100	Y93-S97 WeakPolarHBondContact O-CB 3.45Å; Y93-S97 PolarHBondContact O-N 2.96Å; I94-S97 PolarHBondContact O-N 3.43Å; A95-S97 VanDerWaalsContact C-N 3.34Å; A95-S97 PolarHBondContact O-N 2.85Å; S97-Q100 PolarHBondContact O-N 3.28Å
98	L	66.7	Low	73.7	Confident	137 Å²	137	75 Å²	75	72%	0.717	39%	0.393	S	S	*	.	H	α-helix	trans	-68.2	-38.5	176.7	-69.3	170.6	0	0	0	112.2	I94 A95 Q100	I94-L98 HydrophobicContact CG2-CD1 4.01Å; I94-L98 VanDerWaalsContact O-CG 3.3Å; I94-L98 WeakPolarHBondContact O-CG 3.3Å; I94-L98 PolarHBondContact O-N 2.85Å; A95-L98 PolarHBondContact O-N 2.98Å; L98-Q100 PolarHBondContact O-N 3.24Å
99	L	74	Confident	75	Confident	114 Å²	114	70.2 Å²	70.2	60%	0.597	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	3.2	177.6	-66	174.4	0	0	0	113.5	A95 N96 K101	A95-L99 WeakPolarHBondContact O-CB 3.39Å; A95-L99 VanDerWaalsContact O-CG 3.24Å; A95-L99 WeakPolarHBondContact O-CG 3.15Å; A95-L99 PolarHBondContact O-N 3.32Å; N96-L99 CarbonylContact O-C 3.55Å; N96-L99 PolarHBondContact O-N 3.47Å; L99-K101 HydrophobicContact CB-CG 4.11Å; L99-K101 PolarHBondContact O-N 2.79Å
100	Q	69.3	Low	76.3	Confident	174 Å²	174	75 Å²	75	81%	0.813	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	31.2	-177.6	-58.3	-178.1	-5.7	0	0	113.8	N96 S97 L98 K102	N96-Q100 PolarHBondContact O-N 2.96Å; S97-Q100 PolarHBondContact O-N 3.28Å; L98-Q100 PolarHBondContact O-N 3.24Å; Q100-K102 PolarHBondContact O-N 2.73Å
101	K	68.5	Low	77.8	Confident	108 Å²	108	71.5 Å²	71.5	47%	0.47	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-70.3	130.6	177	-71.7	-172.8	-179.9	177.4	0	109.2	T56 N96 L99 S103	T56-K101 HydrophobicContact CG2-CB 4.28Å; N96-K101 HydrophobicContact CB-CB 4.32Å; N96-K101 PolarHBondContact O-N 3.49Å; L99-K101 HydrophobicContact CB-CG 4.11Å; L99-K101 PolarHBondContact O-N 2.79Å; K101-S103 PolarHBondContact O-N 2.93Å
102	K	81.8	Confident	79.5	Confident	130 Å²	130	67.3 Å²	67.3	57%	0.565	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-63.5	122.2	-179.9	-59.3	178.6	-175.6	172.1	0	109.8	P57 Q100 V107	P57-K102 WeakPolarHBondContact CD-O 3.41Å; Q100-K102 PolarHBondContact O-N 2.73Å; K102-V107 HydrophobicContact CB-CG2 3.77Å; K102-V107 HydrophobicContact CD-CG2 4.21Å
103	S	88.9	Confident	81.2	Confident	26 Å²	26	65.9 Å²	65.9	18%	0.182	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-80	163.9	172.9	76.4	0	0	0	0	111.1	K101 P105 D106 V107	K101-S103 PolarHBondContact O-N 2.93Å; S103-P105 WeakPolarHBondContact OG-CD 3.32Å; S103-D106 VanDerWaalsContact CB-OD2 3.28Å; S103-D106 WeakPolarHBondContact CB-OD2 3.3Å; S103-D106 PolarHBondContact N-OD2 3.04Å; S103-D106 PolarHBondContact O-N 3.18Å; S103-D106 PolarHBondContact OG-N 3.02Å; S103-D106 PolarHBondContact OG-OD1 2.85Å; S103-D106 PolarHBondContact OG-OD2 3.05Å; S103-V107 PolarHBondContact O-N 2.92Å
104	W	92.7	Very high	82.8	Confident	1 Å²	1	62.1 Å²	62.1	0%	0.004	32%	0.318	C	S	.	.	H	α-helix	trans	-53.2	-50.1	175.1	-76.3	98.2	0	0	0	112.5	Y49 V51 V54 P57 F61 L83 D106 V107 F108	Y49-W104 HydrophobicContact CD1-CZ3 4.47Å; Y49-W104 HydrophobicContact CE1-CH2 4.03Å; Y49-W104 HydrophobicContact CE1-CZ3 4.14Å; V51-W104 HydrophobicContact CB-CH2 4.11Å; V51-W104 HydrophobicContact CB-CZ2 3.71Å; V51-W104 HydrophobicContact CG1-CD2 4.3Å; V51-W104 HydrophobicContact CG1-CE3 4.27Å; V51-W104 HydrophobicContact CG1-CH2 3.73Å; V51-W104 HydrophobicContact CG1-CZ2 3.74Å; V51-W104 HydrophobicContact CG1-CZ3 3.99Å; V51-W104 HydrophobicContact CG2-CZ2 4.15Å; V54-W104 HydrophobicContact CB-CZ2 4.18Å; V54-W104 HydrophobicContact CG1-CZ2 3.9Å; V54-W104 PolarHBondContact O-NE1 3.14Å; P57-W104 HydrophobicContact CB-CD2 4.32Å; P57-W104 HydrophobicContact CB-CE3 4.26Å; P57-W104 HydrophobicContact CB-CH2 4.36Å; P57-W104 HydrophobicContact CB-CZ2 4.42Å; P57-W104 HydrophobicContact CB-CZ3 4.29Å; P57-W104 HydrophobicContact CG-CB 4.31Å; P57-W104 HydrophobicContact CG-CD2 3.54Å; P57-W104 HydrophobicContact CG-CE3 3.7Å; P57-W104 HydrophobicContact CG-CG 3.81Å; P57-W104 HydrophobicContact CG-CZ2 4.44Å; P57-W104 HydrophobicContact CG-CZ3 4.23Å; F61-W104 HydrophobicContact CD1-CE3 4.48Å; F61-W104 HydrophobicContact CD1-CH2 4.31Å; F61-W104 AromaticContact CD1-CZ3 3.75Å; F61-W104 HydrophobicContact CD1-CZ3 3.75Å; F61-W104 HydrophobicContact CD2-CH2 4.23Å; F61-W104 HydrophobicContact CD2-CZ3 4.09Å; F61-W104 HydrophobicContact CE1-CE3 4.09Å; F61-W104 HydrophobicContact CE1-CH2 4.45Å; F61-W104 AromaticContact CE1-CZ3 3.52Å; F61-W104 HydrophobicContact CE1-CZ3 3.52Å; F61-W104 HydrophobicContact CE2-CH2 4.37Å; F61-W104 AromaticContact CE2-CZ3 3.88Å; F61-W104 HydrophobicContact CE2-CZ3 3.88Å; F61-W104 HydrophobicContact CG-CH2 4.2Å; F61-W104 HydrophobicContact CG-CZ3 4.04Å; F61-W104 HydrophobicContact CZ-CE3 4.4Å; F61-W104 HydrophobicContact CZ-CH2 4.5Å; F61-W104 AromaticContact CZ-CZ3 3.6Å; F61-W104 HydrophobicContact CZ-CZ3 3.6Å; L83-W104 HydrophobicContact CD1-CB 3.72Å; L83-W104 HydrophobicContact CD1-CD2 4.36Å; L83-W104 HydrophobicContact CD1-CE3 4.3Å; L83-W104 HydrophobicContact CD1-CG 4.18Å; W104-D106 VanDerWaalsContact C-N 3.34Å; W104-D106 PolarHBondContact O-N 3.05Å; W104-V107 PolarHBondContact O-N 3.01Å; W104-F108 HydrophobicContact CE3-CE2 4.06Å; W104-F108 WeakPolarHBondContact O-CD2 3.4Å; W104-F108 PolarHBondContact O-N 3.07Å
105	P	93.1	Very high	84.3	Confident	14 Å²	14	58.1 Å²	58.1	9%	0.091	30%	0.295	C	S	.	.	H	α-helix	trans	-55.4	-43.5	173.8	-27.6	34.4	0	0	0	114.6	S103 V107 F108 E109 I134 I136	S103-P105 WeakPolarHBondContact OG-CD 3.32Å; P105-V107 VanDerWaalsContact C-N 3.31Å; P105-V107 PolarHBondContact O-N 2.6Å; P105-F108 PolarHBondContact O-N 3.29Å; P105-E109 VanDerWaalsContact O-CB 3.28Å; P105-E109 WeakPolarHBondContact O-CB 3.45Å; P105-E109 PolarHBondContact O-N 3.08Å; P105-I134 HydrophobicContact CG-CD1 3.98Å; P105-I134 HydrophobicContact CG-CG2 4.19Å; P105-I136 HydrophobicContact CB-CD1 4.19Å; P105-I136 HydrophobicContact CG-CD1 4.35Å
106	D	91.9	Very high	85.7	Confident	59 Å²	59	56.6 Å²	56.6	32%	0.316	28%	0.283	S	S	.	.	H	α-helix	trans	-65.7	-36	-174.7	-51.9	-31.5	0	0	0	111.7	S103 W104 R110	S103-D106 VanDerWaalsContact CB-OD2 3.28Å; S103-D106 WeakPolarHBondContact CB-OD2 3.3Å; S103-D106 PolarHBondContact N-OD2 3.04Å; S103-D106 PolarHBondContact O-N 3.18Å; S103-D106 PolarHBondContact OG-N 3.02Å; S103-D106 PolarHBondContact OG-OD1 2.85Å; S103-D106 PolarHBondContact OG-OD2 3.05Å; W104-D106 VanDerWaalsContact C-N 3.34Å; W104-D106 PolarHBondContact O-N 3.05Å; D106-R110 VanDerWaalsContact O-CB 3.3Å; D106-R110 WeakPolarHBondContact O-CB 3.45Å; D106-R110 PolarHBondContact O-N 3.28Å
107	V	94.3	Very high	87.3	Confident	18 Å²	18	55.6 Å²	55.6	11%	0.109	28%	0.278	C	S	.	.	H	α-helix	trans	-66.5	-44	178.2	173.3	0	0	0	0	111.1	P57 F61 P63 K102 S103 W104 P105 F111	P57-V107 HydrophobicContact CB-CG2 4.32Å; P57-V107 HydrophobicContact CG-CB 4.27Å; P57-V107 HydrophobicContact CG-CG2 3.83Å; F61-V107 HydrophobicContact CE1-CG1 4.48Å; P63-V107 VanDerWaalsContact CD-CG1 3.44Å; P63-V107 HydrophobicContact CG-CG1 3.79Å; K102-V107 HydrophobicContact CB-CG2 3.77Å; K102-V107 HydrophobicContact CD-CG2 4.21Å; S103-V107 PolarHBondContact O-N 2.92Å; W104-V107 PolarHBondContact O-N 3.01Å; P105-V107 VanDerWaalsContact C-N 3.31Å; P105-V107 PolarHBondContact O-N 2.6Å; V107-F111 WeakPolarHBondContact O-CB 3.42Å; V107-F111 PolarHBondContact O-N 2.92Å
108	F	96.3	Very high	89	Confident	1 Å²	1	51.7 Å²	51.7	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-66.6	-45.8	174.2	-73.6	-66	0	0	0	111.9	F61 P63 F66 V81 L83 W104 P105 R110 F111 Y112 I136 F138	F61-F108 HydrophobicContact CE1-CE1 4.49Å; F61-F108 HydrophobicContact CE1-CE2 4.49Å; F61-F108 HydrophobicContact CE1-CZ 4.04Å; F61-F108 HydrophobicContact CZ-CE1 4.22Å; F61-F108 HydrophobicContact CZ-CE2 4.46Å; F61-F108 AromaticContact CZ-CZ 3.7Å; F61-F108 HydrophobicContact CZ-CZ 3.7Å; P63-F108 HydrophobicContact CB-CD1 3.72Å; P63-F108 HydrophobicContact CB-CE1 3.79Å; P63-F108 HydrophobicContact CG-CD1 3.44Å; P63-F108 VanDerWaalsContact CG-CD1 3.44Å; P63-F108 HydrophobicContact CG-CE1 3.65Å; P63-F108 HydrophobicContact CG-CG 4.18Å; F66-F108 HydrophobicContact CD2-CE1 4.47Å; F66-F108 AromaticContact CE2-CE1 3.63Å; F66-F108 HydrophobicContact CE2-CE1 3.63Å; F66-F108 HydrophobicContact CE2-CZ 4.11Å; F66-F108 HydrophobicContact CZ-CE1 4.34Å; F66-F108 HydrophobicContact CZ-CZ 4.44Å; V81-F108 HydrophobicContact CG1-CD2 4.34Å; V81-F108 HydrophobicContact CG1-CE1 4.29Å; V81-F108 HydrophobicContact CG1-CE2 3.96Å; V81-F108 HydrophobicContact CG1-CZ 3.92Å; V81-F108 HydrophobicContact CG2-CD1 4.31Å; V81-F108 HydrophobicContact CG2-CE1 4.43Å; L83-F108 HydrophobicContact CD1-CE2 4.07Å; L83-F108 HydrophobicContact CD2-CE2 4.15Å; W104-F108 HydrophobicContact CE3-CE2 4.06Å; W104-F108 WeakPolarHBondContact O-CD2 3.4Å; W104-F108 PolarHBondContact O-N 3.07Å; P105-F108 PolarHBondContact O-N 3.29Å; F108-R110 PolarHBondContact O-N 2.89Å; F108-F111 PolarHBondContact O-N 3.29Å; F108-Y112 HydrophobicContact CB-CD2 4.25Å; F108-Y112 HydrophobicContact CB-CE2 4.22Å; F108-Y112 AromaticContact CD1-CE2 3.78Å; F108-Y112 HydrophobicContact CD1-CE2 3.78Å; F108-Y112 HydrophobicContact CG-CE2 4.44Å; F108-Y112 WeakPolarHBondContact O-CD2 3.31Å; F108-Y112 PolarHBondContact O-N 3.34Å; F108-I136 HydrophobicContact CB-CD1 4.35Å; F108-I136 HydrophobicContact CD2-CD1 3.97Å; F108-I136 HydrophobicContact CG-CD1 4.48Å; F108-F138 HydrophobicContact CB-CE2 4.05Å; F108-F138 HydrophobicContact CB-CZ 3.91Å
109	E	95.5	Very high	90.5	Very high	27 Å²	27	46.4 Å²	46.4	13%	0.126	22%	0.221	C	C	.	.	H	α-helix	trans	-60.2	-48.6	-177.9	-179.4	171.9	-120.6	0	0	111.5	P105 F111 Y112 A113 R119 F138 A404 N405	P105-E109 VanDerWaalsContact O-CB 3.28Å; P105-E109 WeakPolarHBondContact O-CB 3.45Å; P105-E109 PolarHBondContact O-N 3.08Å; E109-F111 VanDerWaalsContact C-N 3.31Å; E109-F111 PolarHBondContact O-N 3.29Å; E109-Y112 PolarHBondContact O-N 2.92Å; E109-A113 WeakPolarHBondContact O-CB 3.19Å; E109-A113 PolarHBondContact O-N 2.94Å; E109-R119 IonicContact OE1-CZ 2.9Å; E109-R119 IonicContact OE1-NE 3.46Å; E109-R119 PolarHBondContact OE1-NE 3.2Å; E109-R119 IonicContact OE1-NH2 3.36Å; E109-R119 PolarHBondContact OE1-NH2 3.41Å; E109-R119 VanDerWaalsContact OE1-NH2 3.14Å; E109-F138 HydrophobicContact CB-CE1 4.17Å; E109-F138 HydrophobicContact CB-CZ 4.33Å; E109-F138 HydrophobicContact CG-CE1 4.46Å; E109-A404 HydrophobicContact CG-CB 3.57Å; E109-N405 PolarHBondContact OE1-ND2 2.83Å
110	R	93.7	Very high	91.6	Very high	184 Å²	184	41.2 Å²	41.2	69%	0.694	19%	0.194	S	C	*	.	H	α-helix	trans	-58.4	-43.4	175.9	-178.9	175.6	174.8	166.7	-1.3	112.2	D106 F108 S114	D106-R110 VanDerWaalsContact O-CB 3.3Å; D106-R110 WeakPolarHBondContact O-CB 3.45Å; D106-R110 PolarHBondContact O-N 3.28Å; F108-R110 PolarHBondContact O-N 2.89Å; R110-S114 PolarHBondContact O-N 2.83Å; R110-S114 VanDerWaalsContact O-N 3.13Å
111	F	94.7	Very high	92.9	Very high	5 Å²	5	33.1 Å²	33.1	2%	0.022	16%	0.156	C	C	.	.	H	α-helix	trans	-65.8	-46.1	-177.1	175.7	-98.7	0	0	0	113	H62 P63 R64 Y67 L74 V107 F108 E109 S114	H62-F111 AromaticContact CE1-CD2 3.41Å; H62-F111 VanDerWaalsContact CE1-CD2 3.41Å; H62-F111 WeakPolarHBondContact CE1-CD2 3.34Å; H62-F111 AromaticContact CE1-CE2 3.8Å; P63-F111 HydrophobicContact CB-CB 4.07Å; P63-F111 HydrophobicContact CB-CD1 3.62Å; P63-F111 HydrophobicContact CB-CD2 4.32Å; P63-F111 HydrophobicContact CB-CE1 4.09Å; P63-F111 HydrophobicContact CB-CG 3.74Å; P63-F111 HydrophobicContact CG-CB 4.03Å; P63-F111 HydrophobicContact CG-CD1 4.48Å; P63-F111 HydrophobicContact CG-CG 4.23Å; R64-F111 HydrophobicContact CB-CE2 3.78Å; R64-F111 HydrophobicContact CB-CZ 4.25Å; Y67-F111 AromaticContact CD2-CE1 3.9Å; Y67-F111 HydrophobicContact CD2-CE1 3.9Å; Y67-F111 AromaticContact CD2-CZ 3.84Å; Y67-F111 HydrophobicContact CD2-CZ 3.84Å; Y67-F111 AromaticContact CE2-CE1 3.64Å; Y67-F111 HydrophobicContact CE2-CE1 3.64Å; Y67-F111 HydrophobicContact CE2-CZ 4.08Å; L74-F111 HydrophobicContact CD1-CE1 4.03Å; V107-F111 WeakPolarHBondContact O-CB 3.42Å; V107-F111 PolarHBondContact O-N 2.92Å; F108-F111 PolarHBondContact O-N 3.29Å; E109-F111 VanDerWaalsContact C-N 3.31Å; E109-F111 PolarHBondContact O-N 3.29Å; F111-S114 PolarHBondContact O-OG 2.69Å
112	Y	96.5	Very high	94.1	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-79.2	-33.7	-178.5	-67.1	-59.2	0	0	0	112.1	Y67 L74 I79 V81 F108 E109 S114 R115 G116 F117 F138	Y67-Y112 AromaticContact CE2-CE1 3.94Å; Y67-Y112 HydrophobicContact CE2-CE1 3.94Å; Y67-Y112 WeakPolarHBondContact OH-CE1 3.37Å; Y67-Y112 PolarHBondContact OH-OH 2.8Å; Y67-Y112 VanDerWaalsContact OH-OH 3.07Å; L74-Y112 HydrophobicContact CD1-CD1 3.72Å; L74-Y112 HydrophobicContact CD1-CE1 3.71Å; I79-Y112 HydrophobicContact CD1-CD1 3.71Å; I79-Y112 HydrophobicContact CD1-CE1 3.53Å; I79-Y112 HydrophobicContact CG2-CE1 4.06Å; I79-Y112 HydrophobicContact CG2-CE2 4.18Å; V81-Y112 HydrophobicContact CG2-CE2 4.3Å; F108-Y112 HydrophobicContact CB-CD2 4.25Å; F108-Y112 HydrophobicContact CB-CE2 4.22Å; F108-Y112 AromaticContact CD1-CE2 3.78Å; F108-Y112 HydrophobicContact CD1-CE2 3.78Å; F108-Y112 HydrophobicContact CG-CE2 4.44Å; F108-Y112 WeakPolarHBondContact O-CD2 3.31Å; F108-Y112 PolarHBondContact O-N 3.34Å; E109-Y112 PolarHBondContact O-N 2.92Å; Y112-S114 VanDerWaalsContact C-N 3.3Å; Y112-S114 PolarHBondContact O-N 2.85Å; Y112-R115 CarbonylContact O-C 3.55Å; Y112-R115 PolarHBondContact O-N 3.18Å; Y112-G116 PolarHBondContact O-N 3.04Å; Y112-F117 WeakPolarHBondContact O-CB 3.47Å; Y112-F117 PolarHBondContact O-N 3.02Å; Y112-F117 VanDerWaalsContact O-N 3.09Å; Y112-F138 HydrophobicContact CD2-CD1 4.25Å; Y112-F138 AromaticContact CD2-CD2 3.45Å; Y112-F138 HydrophobicContact CD2-CD2 3.45Å; Y112-F138 VanDerWaalsContact CD2-CD2 3.45Å; Y112-F138 HydrophobicContact CD2-CE1 4.16Å; Y112-F138 AromaticContact CD2-CE2 3.34Å; Y112-F138 HydrophobicContact CD2-CE2 3.34Å; Y112-F138 AromaticContact CD2-CG 3.91Å; Y112-F138 HydrophobicContact CD2-CG 3.91Å; Y112-F138 AromaticContact CD2-CZ 3.71Å; Y112-F138 HydrophobicContact CD2-CZ 3.71Å; Y112-F138 AromaticContact CE2-CD2 3.9Å; Y112-F138 HydrophobicContact CE2-CD2 3.9Å; Y112-F138 AromaticContact CE2-CE2 3.76Å; Y112-F138 HydrophobicContact CE2-CE2 3.76Å; Y112-F138 HydrophobicContact CE2-CZ 4.48Å; Y112-F138 HydrophobicContact CG-CD1 4.44Å; Y112-F138 HydrophobicContact CG-CD2 4.15Å; Y112-F138 HydrophobicContact CG-CE2 4.36Å; Y112-F138 HydrophobicContact CG-CG 4.19Å
113	A	95.5	Very high	94.6	Very high	7 Å²	7	22.9 Å²	22.9	6%	0.058	11%	0.113	C	C	.	.	H	α-helix	trans	-60.1	-41.1	171.8	0	0	0	0	0	111.6	E109 R115 G116 F117 R141 A404	E109-A113 WeakPolarHBondContact O-CB 3.19Å; E109-A113 PolarHBondContact O-N 2.94Å; A113-R115 PolarHBondContact O-N 2.84Å; A113-G116 PolarHBondContact O-N 3Å; A113-F117 WeakPolarHBondContact CA-O 3.25Å; A113-R141 PolarHBondContact O-NH2 2.76Å; A113-A404 HydrophobicContact CB-CB 3.58Å
114	S	93	Very high	94.5	Very high	42 Å²	42	27.5 Å²	27.5	29%	0.294	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-13.4	176.5	89.5	0	0	0	0	113.5	R110 F111 Y112	R110-S114 PolarHBondContact O-N 2.83Å; R110-S114 VanDerWaalsContact O-N 3.13Å; F111-S114 PolarHBondContact O-OG 2.69Å; Y112-S114 VanDerWaalsContact C-N 3.3Å; Y112-S114 PolarHBondContact O-N 2.85Å
115	R	94.3	Very high	94.1	Very high	28 Å²	28	31.2 Å²	31.2	11%	0.106	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	21.1	-178.6	-62.8	178.8	-143.5	-57.4	120.6	113.7	R64 S71 V72 L74 Y112 A113 F117	R64-R115 VanDerWaalsContact CZ-NH2 3.34Å; S71-R115 PolarHBondContact O-NH2 2.94Å; V72-R115 WeakPolarHBondContact O-CG 3.41Å; L74-R115 HydrophobicContact CD1-CB 4.42Å; L74-R115 HydrophobicContact CG-CB 4.47Å; Y112-R115 CarbonylContact O-C 3.55Å; Y112-R115 PolarHBondContact O-N 3.18Å; A113-R115 PolarHBondContact O-N 2.84Å; R115-F117 HydrophobicContact CB-CD2 4.4Å; R115-F117 WeakPolarHBondContact O-CD2 3.47Å; R115-F117 WeakPolarHBondContact O-CE2 3.31Å
116	G	94.6	Very high	93.9	Very high	9 Å²	9	30.6 Å²	30.6	9%	0.093	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	19.9	171	0	0	0	0	0	115.3	Y112 A113 R141	Y112-G116 PolarHBondContact O-N 3.04Å; A113-G116 PolarHBondContact O-N 3Å; G116-R141 WeakPolarHBondContact O-CG 3.49Å; G116-R141 PolarHBondContact O-N 3.43Å
117	F	97.4	Very high	93.7	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	147.7	175.4	-63.6	-104.9	0	0	0	111.7	L74 F76 I79 Y112 A113 R115 F138 I139 R140	L74-F117 HydrophobicContact CB-CE2 3.89Å; L74-F117 HydrophobicContact CB-CZ 4.07Å; L74-F117 HydrophobicContact CD1-CE2 4.32Å; F76-F117 HydrophobicContact CB-CE1 4.43Å; F76-F117 HydrophobicContact CB-CZ 4.36Å; F76-F117 WeakPolarHBondContact O-CE1 3.41Å; F76-F117 WeakPolarHBondContact O-CZ 3.24Å; I79-F117 HydrophobicContact CD1-CD1 4.2Å; I79-F117 HydrophobicContact CD1-CE1 3.67Å; I79-F117 HydrophobicContact CD1-CE2 4.25Å; I79-F117 HydrophobicContact CD1-CZ 3.71Å; I79-F117 HydrophobicContact CG1-CD1 4.49Å; I79-F117 HydrophobicContact CG1-CE1 3.94Å; I79-F117 HydrophobicContact CG1-CZ 4.39Å; Y112-F117 WeakPolarHBondContact O-CB 3.47Å; Y112-F117 PolarHBondContact O-N 3.02Å; Y112-F117 VanDerWaalsContact O-N 3.09Å; A113-F117 WeakPolarHBondContact CA-O 3.25Å; R115-F117 HydrophobicContact CB-CD2 4.4Å; R115-F117 WeakPolarHBondContact O-CD2 3.47Å; R115-F117 WeakPolarHBondContact O-CE2 3.31Å; F117-F138 HydrophobicContact CB-CB 4.1Å; F117-F138 HydrophobicContact CD1-CB 4.22Å; F117-F138 HydrophobicContact CG-CB 4.5Å; F117-I139 CarbonylContact C-O 3.55Å; F117-I139 WeakPolarHBondContact CA-O 3.46Å; F117-R140 HydrophobicContact CD1-CB 4.17Å; F117-R140 HydrophobicContact CE1-CB 4Å; F117-R140 HydrophobicContact CZ-CB 4.44Å
118	G	97.3	Very high	93.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	141	166.5	0	0	0	0	0	110.6	F138 I139 A404	G118-F138 WeakPolarHBondContact O-CA 3.33Å; G118-I139 PolarHBondContact N-O 3.17Å; G118-I139 PolarHBondContact O-N 3.03Å; G118-A404 CarbonylContact C-O 3.56Å; G118-A404 WeakPolarHBondContact CA-O 3.49Å
119	R	97.7	Very high	93.6	Very high	26 Å²	26	33.4 Å²	33.4	10%	0.098	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	136.7	179.4	-170	-179.8	57.9	86	-3.7	111	E109 G126 I136 V137 F138 A404 N405	E109-R119 IonicContact OE1-CZ 2.9Å; E109-R119 IonicContact OE1-NE 3.46Å; E109-R119 PolarHBondContact OE1-NE 3.2Å; E109-R119 IonicContact OE1-NH2 3.36Å; E109-R119 PolarHBondContact OE1-NH2 3.41Å; E109-R119 VanDerWaalsContact OE1-NH2 3.14Å; R119-G126 PolarHBondContact NH1-O 3.38Å; R119-G126 PolarHBondContact NH2-O 3.17Å; R119-I136 VanDerWaalsContact CD-CG2 3.45Å; R119-I136 HydrophobicContact CG-CG2 3.93Å; R119-V137 CarbonylContact C-O 3.55Å; R119-V137 VanDerWaalsContact CA-O 3.31Å; R119-V137 WeakPolarHBondContact CA-O 3.46Å; R119-V137 WeakPolarHBondContact CG-O 3.04Å; R119-F138 HydrophobicContact CB-CD1 3.73Å; R119-F138 HydrophobicContact CB-CE1 3.64Å; R119-F138 HydrophobicContact CG-CD1 4.09Å; R119-F138 HydrophobicContact CG-CE1 3.82Å; R119-F138 HydrophobicContact CG-CZ 4.37Å; R119-A404 WeakPolarHBondContact CB-O 3.33Å; R119-A404 PolarHBondContact N-O 3.24Å; R119-N405 HydrophobicContact CB-CB 4.12Å; R119-N405 WeakPolarHBondContact O-CB 3.4Å
120	L	97.8	Very high	93.4	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.031	16%	0.162	C	C	.	.			trans	-80.5	133.1	170.7	-62.3	176.9	0	0	0	110.6	F122 V137 I139 L144 V147 V150 I173	L120-F122 HydrophobicContact CB-CD2 3.81Å; L120-F122 HydrophobicContact CB-CE2 3.53Å; L120-F122 HydrophobicContact CD1-CE2 4.16Å; L120-F122 HydrophobicContact CD1-CZ 4.42Å; L120-V137 HydrophobicContact CB-CB 4.44Å; L120-V137 HydrophobicContact CD1-CB 4.43Å; L120-V137 HydrophobicContact CD1-CG1 3.9Å; L120-V137 PolarHBondContact N-O 3.45Å; L120-I139 HydrophobicContact CD1-CD1 4.2Å; L120-I139 HydrophobicContact CD1-CG1 3.69Å; L120-I139 HydrophobicContact CD2-CG1 4.31Å; L120-I139 HydrophobicContact CG-CG1 3.88Å; L120-L144 HydrophobicContact CD2-CD2 3.74Å; L120-V147 HydrophobicContact CD1-CG1 4.43Å; L120-V147 HydrophobicContact CD2-CG1 4.37Å; L120-V150 HydrophobicContact CD1-CG1 4.04Å; L120-I173 HydrophobicContact CD1-CD1 4.06Å; L120-I173 HydrophobicContact CD1-CG1 4.46Å
121	T	95.5	Very high	93.2	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.018	15%	0.146	C	C	.	.			trans	-97.5	-21.3	-173.9	58.5	0	0	0	0	114.8	N123 G126 N405 D406 R407	T121-N123 PolarHBondContact O-N 2.74Å; T121-G126 CarbonylContact O-C 3.51Å; T121-N405 HydrophobicContact CG2-CB 4Å; T121-D406 WeakPolarHBondContact CB-OD1 3.14Å; T121-D406 WeakPolarHBondContact CG2-OD1 3.39Å; T121-D406 VanDerWaalsContact OG1-CG 3.31Å; T121-D406 PolarHBondContact OG1-OD1 3.41Å; T121-D406 PolarHBondContact OG1-OD2 2.98Å; T121-R407 HydrophobicContact CG2-CG 4.33Å
122	F	94.6	Very high	93	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.			trans	57.9	-25.7	174.6	-74.1	-104.6	0	0	0	118.9	L120 L128 V137 V150 E151 V152 A171 I173 R455	L120-F122 HydrophobicContact CB-CD2 3.81Å; L120-F122 HydrophobicContact CB-CE2 3.53Å; L120-F122 HydrophobicContact CD1-CE2 4.16Å; L120-F122 HydrophobicContact CD1-CZ 4.42Å; F122-L128 HydrophobicContact CB-CD1 3.67Å; F122-L128 HydrophobicContact CB-CD2 4.25Å; F122-L128 HydrophobicContact CB-CG 4.04Å; F122-L128 HydrophobicContact CD1-CD2 4.1Å; F122-L128 HydrophobicContact CD2-CD1 3.6Å; F122-L128 HydrophobicContact CD2-CD2 3.7Å; F122-L128 HydrophobicContact CD2-CG 4.16Å; F122-L128 HydrophobicContact CE1-CD2 4.36Å; F122-L128 HydrophobicContact CE2-CD1 4.45Å; F122-L128 HydrophobicContact CE2-CD2 3.93Å; F122-L128 HydrophobicContact CG-CD1 3.84Å; F122-L128 HydrophobicContact CG-CD2 3.76Å; F122-L128 HydrophobicContact CG-CG 4.1Å; F122-L128 HydrophobicContact CZ-CD2 4.27Å; F122-V137 HydrophobicContact CE2-CB 4.13Å; F122-V137 HydrophobicContact CE2-CG2 3.95Å; F122-V137 HydrophobicContact CZ-CG2 4.21Å; F122-V150 HydrophobicContact CB-CG2 4.49Å; F122-V150 HydrophobicContact CD1-CB 3.72Å; F122-V150 HydrophobicContact CD1-CG2 4.05Å; F122-V150 HydrophobicContact CE1-CB 3.68Å; F122-V150 HydrophobicContact CE1-CG1 4.27Å; F122-V150 HydrophobicContact CE1-CG2 4.47Å; F122-V150 HydrophobicContact CG-CB 4.23Å; F122-V150 HydrophobicContact CG-CG2 4.14Å; F122-V150 HydrophobicContact CZ-CB 4.2Å; F122-V150 HydrophobicContact CZ-CG1 4.33Å; F122-E151 VanDerWaalsContact CD1-O 3.29Å; F122-E151 WeakPolarHBondContact CD1-O 3.41Å; F122-E151 VanDerWaalsContact CE1-O 3.32Å; F122-E151 WeakPolarHBondContact CE1-O 3.47Å; F122-V152 HydrophobicContact CB-CB 4.21Å; F122-V152 HydrophobicContact CB-CG1 4.08Å; F122-V152 HydrophobicContact CD1-CB 4Å; F122-V152 HydrophobicContact CG-CB 4.48Å; F122-A171 HydrophobicContact CD1-CB 4.22Å; F122-A171 HydrophobicContact CE1-CB 3.45Å; F122-A171 VanDerWaalsContact CE1-CB 3.45Å; F122-A171 HydrophobicContact CZ-CB 3.66Å; F122-I173 HydrophobicContact CE1-CG1 4.31Å; F122-I173 HydrophobicContact CZ-CD1 4.15Å; F122-I173 HydrophobicContact CZ-CG1 3.85Å; F122-R455 WeakPolarHBondContact O-CD 3.22Å; F122-R455 PolarHBondContact O-NH1 2.8Å
123	N	90.8	Very high	93	Very high	24 Å²	24	27.1 Å²	27.1	13%	0.128	15%	0.15	C	C	.	.	S	Bend	trans	-158.2	-177.5	-173.9	66.7	44.6	0	0	0	111	T121 S125 G126 R127 V152 Y154 R407	T121-N123 PolarHBondContact O-N 2.74Å; N123-S125 PolarHBondContact OD1-N 3.05Å; N123-S125 PolarHBondContact OD1-OG 3.48Å; N123-G126 PolarHBondContact O-N 2.97Å; N123-G126 PolarHBondContact OD1-N 3.38Å; N123-R127 PolarHBondContact ND2-O 2.84Å; N123-V152 HydrophobicContact CB-CG1 4.27Å; N123-Y154 PolarHBondContact ND2-OH 3.06Å; N123-R407 PolarHBondContact O-NH2 3.44Å
124	L	86.9	Confident	93	Very high	122 Å²	122	27 Å²	27	64%	0.639	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-29.2	-178.4	-96.7	175.2	0	0	0	115.5	G126 R407 R452	L124-G126 PolarHBondContact O-N 3.09Å; L124-R407 PolarHBondContact O-NH1 3.21Å; L124-R407 VanDerWaalsContact O-NH1 3.14Å; L124-R407 PolarHBondContact O-NH2 3.39Å; L124-R452 VanDerWaalsContact CG-NH2 3.32Å
125	S	85.5	Confident	93.3	Very high	79 Å²	79	25.2 Å²	25.2	55%	0.552	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-20.3	172.1	71.7	0	0	0	0	111.5	N123 R127	N123-S125 PolarHBondContact OD1-N 3.05Å; N123-S125 PolarHBondContact OD1-OG 3.48Å; S125-R127 PolarHBondContact O-N 2.8Å; S125-R127 PolarHBondContact OG-N 2.77Å; S125-R127 PolarHBondContact OG-O 3.22Å
126	G	88.1	Confident	93.5	Very high	2 Å²	2	24.1 Å²	24.1	2%	0.021	13%	0.132	C	C	.	.	S	Bend	trans	69.4	15	-176.9	0	0	0	0	0	112.8	R119 T121 N123 L124 R407	R119-G126 PolarHBondContact NH1-O 3.38Å; R119-G126 PolarHBondContact NH2-O 3.17Å; T121-G126 CarbonylContact O-C 3.51Å; N123-G126 PolarHBondContact O-N 2.97Å; N123-G126 PolarHBondContact OD1-N 3.38Å; L124-G126 PolarHBondContact O-N 3.09Å; G126-R407 VanDerWaalsContact CA-CZ 3.43Å; G126-R407 VanDerWaalsContact N-NH2 3.19Å
127	R	88.4	Confident	93.7	Very high	73 Å²	73	23.8 Å²	23.8	28%	0.275	13%	0.128	S	C	.	.			trans	-138.1	137.3	-178.8	-64.4	-177	180	173.9	2	109.3	Y93 N123 S125 Q129	Y93-R127 PolarHBondContact OH-NH1 2.83Å; N123-R127 PolarHBondContact ND2-O 2.84Å; S125-R127 PolarHBondContact O-N 2.8Å; S125-R127 PolarHBondContact OG-N 2.77Å; S125-R127 PolarHBondContact OG-O 3.22Å; R127-Q129 PolarHBondContact O-N 2.77Å
128	L	93.9	Very high	93.7	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.016	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	87.5	173.3	-63.6	63.7	0	0	0	106.4	F122 I134 L135 V152 I169 A171	F122-L128 HydrophobicContact CB-CD1 3.67Å; F122-L128 HydrophobicContact CB-CD2 4.25Å; F122-L128 HydrophobicContact CB-CG 4.04Å; F122-L128 HydrophobicContact CD1-CD2 4.1Å; F122-L128 HydrophobicContact CD2-CD1 3.6Å; F122-L128 HydrophobicContact CD2-CD2 3.7Å; F122-L128 HydrophobicContact CD2-CG 4.16Å; F122-L128 HydrophobicContact CE1-CD2 4.36Å; F122-L128 HydrophobicContact CE2-CD1 4.45Å; F122-L128 HydrophobicContact CE2-CD2 3.93Å; F122-L128 HydrophobicContact CG-CD1 3.84Å; F122-L128 HydrophobicContact CG-CD2 3.76Å; F122-L128 HydrophobicContact CG-CG 4.1Å; F122-L128 HydrophobicContact CZ-CD2 4.27Å; L128-I134 CarbonylContact O-C 3.58Å; L128-I134 WeakPolarHBondContact O-CA 3.33Å; L128-L135 HydrophobicContact CB-CB 4.02Å; L128-L135 WeakPolarHBondContact CB-O 3.43Å; L128-L135 HydrophobicContact CD2-CB 4.24Å; L128-L135 HydrophobicContact CD2-CD2 3.98Å; L128-L135 HydrophobicContact CD2-CG 4.1Å; L128-L135 PolarHBondContact O-N 2.84Å; L128-V152 HydrophobicContact CD2-CG2 4.06Å; L128-V152 HydrophobicContact CG-CG2 4.04Å; L128-I169 HydrophobicContact CB-CG2 4.03Å; L128-I169 HydrophobicContact CD2-CG2 4.48Å; L128-I169 WeakPolarHBondContact O-CD1 3.35Å; L128-A171 HydrophobicContact CD2-CB 3.93Å
129	Q	93.2	Very high	93.7	Very high	61 Å²	61	23.8 Å²	23.8	29%	0.285	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	134.1	-174	178.7	167.9	8.9	0	0	110.9	R127 V131 M133 I134	R127-Q129 PolarHBondContact O-N 2.77Å; Q129-V131 PolarHBondContact NE2-O 3.03Å; Q129-V131 VanDerWaalsContact NE2-O 3.11Å; Q129-M133 CarbonylContact C-O 3.6Å; Q129-M133 VanDerWaalsContact CA-O 3.29Å; Q129-M133 WeakPolarHBondContact CA-O 3.38Å; Q129-I134 HydrophobicContact CB-CG1 4.29Å; Q129-I134 HydrophobicContact CG-CG1 3.92Å
130	M	92	Very high	93.7	Very high	12 Å²	12	25.4 Å²	25.4	6%	0.059	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	103.5	172.6	-172.7	171.3	73.3	0	0	109.4	G132 M133 Y154 V155 K156 I169	M130-G132 PolarHBondContact O-N 2.87Å; M130-M133 HydrophobicContact CB-CE 4.43Å; M130-M133 HydrophobicContact CE-CE 3.03Å; M130-M133 PolarHBondContact N-O 2.83Å; M130-M133 PolarHBondContact O-N 2.8Å; M130-Y154 HydrophobicContact CB-CD1 3.99Å; M130-V155 WeakPolarHBondContact CE-O 3.39Å; M130-K156 HydrophobicContact CE-CG 4.36Å; M130-K156 HydrophobicContact SD-CG 3.6Å; M130-K156 VanDerWaalsContact SD-CG 3.6Å; M130-I169 HydrophobicContact CB-CD1 4.22Å; M130-I169 HydrophobicContact CB-CG1 4.18Å
131	V	89.5	Confident	93.6	Very high	60 Å²	60	25.8 Å²	25.8	36%	0.364	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	-112.4	-172.9	-168.7	0	0	0	0	109.8	Y88 Q129 G164 H165	Y88-V131 HydrophobicContact CD1-CG1 4.25Å; Y88-V131 HydrophobicContact CG-CG1 4.41Å; Q129-V131 PolarHBondContact NE2-O 3.03Å; Q129-V131 VanDerWaalsContact NE2-O 3.11Å; V131-G164 VanDerWaalsContact CG2-C 3.46Å; V131-G164 WeakPolarHBondContact CG2-O 3.33Å; V131-H165 HydrophobicContact CG1-CB 4.4Å
132	G	91.4	Very high	93.4	Very high	10 Å²	10	27.1 Å²	27.1	10%	0.103	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	0.4	178.9	0	0	0	0	0	114.7	Q84 E85 V86 M130	Q84-G132 CarbonylContact C-O 3.59Å; E85-G132 PolarHBondContact N-O 2.95Å; V86-G132 PolarHBondContact N-O 2.83Å; V86-G132 VanDerWaalsContact O-CA 3.29Å; V86-G132 WeakPolarHBondContact O-CA 3.14Å; M130-G132 PolarHBondContact O-N 2.87Å
133	M	95.2	Very high	93.3	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	135.6	173.8	-68.9	-174.1	-69.5	0	0	110.9	L83 Q84 Q129 M130 I169 H187	L83-M133 VanDerWaalsContact O-CA 3.29Å; L83-M133 WeakPolarHBondContact O-CA 3.41Å; Q84-M133 HydrophobicContact CG-CG 4.42Å; Q129-M133 CarbonylContact C-O 3.6Å; Q129-M133 VanDerWaalsContact CA-O 3.29Å; Q129-M133 WeakPolarHBondContact CA-O 3.38Å; M130-M133 HydrophobicContact CB-CE 4.43Å; M130-M133 HydrophobicContact CE-CE 3.03Å; M130-M133 PolarHBondContact N-O 2.83Å; M130-M133 PolarHBondContact O-N 2.8Å; M133-I169 HydrophobicContact CB-CD1 3.95Å; M133-I169 HydrophobicContact CB-CG1 4.37Å; M133-I169 WeakPolarHBondContact O-CD1 3.41Å; M133-H187 HydrophobicContact CG-CB 3.99Å; M133-H187 HydrophobicContact SD-CB 3.41Å; M133-H187 WeakPolarHBondContact SD-CB 3.34Å
134	I	96.2	Very high	93.5	Very high	6 Å²	6	27.1 Å²	27.1	3%	0.031	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135.6	176.5	-57.3	-175.5	0	0	0	108.9	G82 L83 V86 P105 L128 Q129 I136 N185	G82-I134 CarbonylContact C-O 3.54Å; G82-I134 WeakPolarHBondContact CA-O 3.28Å; L83-I134 HydrophobicContact CB-CB 4.26Å; L83-I134 PolarHBondContact N-O 2.88Å; L83-I134 PolarHBondContact O-N 3.25Å; V86-I134 HydrophobicContact CB-CD1 4.25Å; V86-I134 HydrophobicContact CG1-CD1 4.19Å; V86-I134 HydrophobicContact CG2-CD1 3.91Å; V86-I134 HydrophobicContact CG2-CG1 4.18Å; P105-I134 HydrophobicContact CG-CD1 3.98Å; P105-I134 HydrophobicContact CG-CG2 4.19Å; L128-I134 CarbonylContact O-C 3.58Å; L128-I134 WeakPolarHBondContact O-CA 3.33Å; Q129-I134 HydrophobicContact CB-CG1 4.29Å; Q129-I134 HydrophobicContact CG-CG1 3.92Å; I134-I136 HydrophobicContact CG2-CD1 4.14Å; I134-I136 HydrophobicContact CG2-CG1 3.69Å; I134-N185 PolarHBondContact O-ND2 3.46Å
135	L	98.4	Very high	93.7	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.016	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.8	168.9	178.3	57.5	0	0	0	109.4	V80 L128 V137 I169 A171 L183 N185 F226	V80-L135 HydrophobicContact CG1-CD1 3.53Å; L128-L135 HydrophobicContact CB-CB 4.02Å; L128-L135 WeakPolarHBondContact CB-O 3.43Å; L128-L135 HydrophobicContact CD2-CB 4.24Å; L128-L135 HydrophobicContact CD2-CD2 3.98Å; L128-L135 HydrophobicContact CD2-CG 4.1Å; L128-L135 PolarHBondContact O-N 2.84Å; L135-V137 HydrophobicContact CD1-CG2 4.43Å; L135-V137 HydrophobicContact CG-CG2 4.29Å; L135-I169 HydrophobicContact CB-CB 4.35Å; L135-I169 HydrophobicContact CB-CD1 4.41Å; L135-I169 HydrophobicContact CB-CG2 3.98Å; L135-I169 HydrophobicContact CD2-CG2 4.04Å; L135-A171 HydrophobicContact CD2-CB 3.6Å; L135-L183 HydrophobicContact CD2-CB 4.31Å; L135-N185 HydrophobicContact CB-CB 4.4Å; L135-N185 HydrophobicContact CD1-CB 4.22Å; L135-F226 HydrophobicContact CD1-CE2 4.13Å; L135-F226 HydrophobicContact CD1-CZ 3.71Å
136	I	98.3	Very high	94	Very high	6 Å²	6	20.5 Å²	20.5	3%	0.031	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	127.8	-179.2	-40.3	177.5	0	0	0	108	V80 V81 P105 F108 R119 I134 F138	V80-I136 CarbonylContact C-O 3.51Å; V80-I136 WeakPolarHBondContact CA-O 3.27Å; V81-I136 HydrophobicContact CB-CB 4.32Å; V81-I136 PolarHBondContact N-O 3.04Å; V81-I136 PolarHBondContact O-N 2.65Å; P105-I136 HydrophobicContact CB-CD1 4.19Å; P105-I136 HydrophobicContact CG-CD1 4.35Å; F108-I136 HydrophobicContact CB-CD1 4.35Å; F108-I136 HydrophobicContact CD2-CD1 3.97Å; F108-I136 HydrophobicContact CG-CD1 4.48Å; R119-I136 VanDerWaalsContact CD-CG2 3.45Å; R119-I136 HydrophobicContact CG-CG2 3.93Å; I134-I136 HydrophobicContact CG2-CD1 4.14Å; I134-I136 HydrophobicContact CG2-CG1 3.69Å; I136-F138 HydrophobicContact CB-CE2 4.01Å; I136-F138 HydrophobicContact CB-CZ 4.43Å; I136-F138 HydrophobicContact CG2-CD2 4.15Å; I136-F138 HydrophobicContact CG2-CE1 4.15Å; I136-F138 HydrophobicContact CG2-CE2 3.3Å; I136-F138 HydrophobicContact CG2-CZ 3.31Å
137	V	98.6	Very high	94.3	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120.6	-178.2	-174.7	0	0	0	0	109	M78 V80 R119 L120 F122 L135 I139 I173 L183	M78-V137 HydrophobicContact CG-CG1 4.29Å; M78-V137 HydrophobicContact SD-CG1 3.97Å; V80-V137 HydrophobicContact CG1-CG2 4.37Å; V80-V137 HydrophobicContact CG2-CG1 4.36Å; R119-V137 CarbonylContact C-O 3.55Å; R119-V137 VanDerWaalsContact CA-O 3.31Å; R119-V137 WeakPolarHBondContact CA-O 3.46Å; R119-V137 WeakPolarHBondContact CG-O 3.04Å; L120-V137 HydrophobicContact CB-CB 4.44Å; L120-V137 HydrophobicContact CD1-CB 4.43Å; L120-V137 HydrophobicContact CD1-CG1 3.9Å; L120-V137 PolarHBondContact N-O 3.45Å; F122-V137 HydrophobicContact CE2-CB 4.13Å; F122-V137 HydrophobicContact CE2-CG2 3.95Å; F122-V137 HydrophobicContact CZ-CG2 4.21Å; L135-V137 HydrophobicContact CD1-CG2 4.43Å; L135-V137 HydrophobicContact CG-CG2 4.29Å; V137-I139 HydrophobicContact CG1-CD1 4.05Å; V137-I173 HydrophobicContact CG1-CD1 3.81Å; V137-L183 HydrophobicContact CG1-CD1 4.27Å; V137-L183 HydrophobicContact CG2-CD1 3.57Å
138	F	98.4	Very high	94.5	Very high	1 Å²	1	18.8 Å²	18.8	0%	0.004	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.5	177.7	-61.4	-78.2	0	0	0	109.6	M78 I79 F108 E109 Y112 F117 G118 R119 I136	M78-F138 CarbonylContact C-O 3.55Å; M78-F138 VanDerWaalsContact CA-O 3.31Å; M78-F138 WeakPolarHBondContact CA-O 3.14Å; I79-F138 HydrophobicContact CB-CB 4.28Å; I79-F138 PolarHBondContact N-O 3.38Å; I79-F138 PolarHBondContact O-N 2.82Å; F108-F138 HydrophobicContact CB-CE2 4.05Å; F108-F138 HydrophobicContact CB-CZ 3.91Å; E109-F138 HydrophobicContact CB-CE1 4.17Å; E109-F138 HydrophobicContact CB-CZ 4.33Å; E109-F138 HydrophobicContact CG-CE1 4.46Å; Y112-F138 HydrophobicContact CD2-CD1 4.25Å; Y112-F138 AromaticContact CD2-CD2 3.45Å; Y112-F138 HydrophobicContact CD2-CD2 3.45Å; Y112-F138 VanDerWaalsContact CD2-CD2 3.45Å; Y112-F138 HydrophobicContact CD2-CE1 4.16Å; Y112-F138 AromaticContact CD2-CE2 3.34Å; Y112-F138 HydrophobicContact CD2-CE2 3.34Å; Y112-F138 AromaticContact CD2-CG 3.91Å; Y112-F138 HydrophobicContact CD2-CG 3.91Å; Y112-F138 AromaticContact CD2-CZ 3.71Å; Y112-F138 HydrophobicContact CD2-CZ 3.71Å; Y112-F138 AromaticContact CE2-CD2 3.9Å; Y112-F138 HydrophobicContact CE2-CD2 3.9Å; Y112-F138 AromaticContact CE2-CE2 3.76Å; Y112-F138 HydrophobicContact CE2-CE2 3.76Å; Y112-F138 HydrophobicContact CE2-CZ 4.48Å; Y112-F138 HydrophobicContact CG-CD1 4.44Å; Y112-F138 HydrophobicContact CG-CD2 4.15Å; Y112-F138 HydrophobicContact CG-CE2 4.36Å; Y112-F138 HydrophobicContact CG-CG 4.19Å; F117-F138 HydrophobicContact CB-CB 4.1Å; F117-F138 HydrophobicContact CD1-CB 4.22Å; F117-F138 HydrophobicContact CG-CB 4.5Å; G118-F138 WeakPolarHBondContact O-CA 3.33Å; R119-F138 HydrophobicContact CB-CD1 3.73Å; R119-F138 HydrophobicContact CB-CE1 3.64Å; R119-F138 HydrophobicContact CG-CD1 4.09Å; R119-F138 HydrophobicContact CG-CE1 3.82Å; R119-F138 HydrophobicContact CG-CZ 4.37Å; I136-F138 HydrophobicContact CB-CE2 4.01Å; I136-F138 HydrophobicContact CB-CZ 4.43Å; I136-F138 HydrophobicContact CG2-CD2 4.15Å; I136-F138 HydrophobicContact CG2-CE1 4.15Å; I136-F138 HydrophobicContact CG2-CE2 3.3Å; I136-F138 HydrophobicContact CG2-CZ 3.31Å
139	I	98.1	Very high	94.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.7	175.6	-55.2	-53.9	0	0	0	107.9	W42 D77 M78 F117 G118 L120 V137 R141 V143 L144 V147	W42-I139 HydrophobicContact CH2-CD1 3.83Å; W42-I139 HydrophobicContact CZ2-CD1 3.56Å; W42-I139 HydrophobicContact CZ2-CG1 4.48Å; W42-I139 HydrophobicContact CZ2-CG2 4.29Å; D77-I139 CarbonylContact O-C 3.47Å; D77-I139 WeakPolarHBondContact O-CA 3.39Å; M78-I139 HydrophobicContact CB-CD1 3.73Å; M78-I139 HydrophobicContact CG-CD1 3.53Å; M78-I139 HydrophobicContact SD-CD1 3.63Å; F117-I139 CarbonylContact C-O 3.55Å; F117-I139 WeakPolarHBondContact CA-O 3.46Å; G118-I139 PolarHBondContact N-O 3.17Å; G118-I139 PolarHBondContact O-N 3.03Å; L120-I139 HydrophobicContact CD1-CD1 4.2Å; L120-I139 HydrophobicContact CD1-CG1 3.69Å; L120-I139 HydrophobicContact CD2-CG1 4.31Å; L120-I139 HydrophobicContact CG-CG1 3.88Å; V137-I139 HydrophobicContact CG1-CD1 4.05Å; I139-R141 PolarHBondContact O-N 3.33Å; I139-V143 HydrophobicContact CG2-CG2 3.67Å; I139-L144 HydrophobicContact CB-CD2 3.63Å; I139-L144 HydrophobicContact CB-CG 4.07Å; I139-L144 HydrophobicContact CG1-CD2 4.16Å; I139-L144 HydrophobicContact CG2-CD2 4.02Å; I139-L144 HydrophobicContact CG2-CG 4.09Å; I139-V147 HydrophobicContact CG1-CG2 4.23Å; I139-V147 HydrophobicContact CG2-CG2 4.41Å
140	R	96.7	Very high	94.7	Very high	61 Å²	61	19.1 Å²	19.1	23%	0.23	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	131.4	175.8	-162.7	-168.4	-63.8	137	-9.3	109.3	D75 F76 D77 F117 V143 L144	D75-R140 IonicContact OD1-NH2 3.65Å; F76-R140 VanDerWaalsContact N-NH2 3.14Å; F76-R140 PolarHBondContact O-NE 3.15Å; F76-R140 PolarHBondContact O-NH2 2.79Å; D77-R140 PolarHBondContact O-N 3.39Å; D77-R140 IonicContact OD1-CZ 2.69Å; D77-R140 IonicContact OD1-NH1 3.69Å; D77-R140 PolarHBondContact OD1-NH1 3.43Å; D77-R140 IonicContact OD1-NH2 3.18Å; F117-R140 HydrophobicContact CD1-CB 4.17Å; F117-R140 HydrophobicContact CE1-CB 4Å; F117-R140 HydrophobicContact CZ-CB 4.44Å; R140-V143 HydrophobicContact CB-CG2 3.96Å; R140-V143 WeakPolarHBondContact O-CG2 3.26Å; R140-V143 PolarHBondContact O-N 3.49Å; R140-L144 PolarHBondContact O-N 3.39Å
141	R	95.3	Very high	94.8	Very high	13 Å²	13	19.9 Å²	19.9	5%	0.049	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-52.5	-46.5	-167.6	-74.5	-178.7	-168.1	118.1	14.7	114.5	A113 G116 I139 V143 L144 M401 T402 F403 I460	A113-R141 PolarHBondContact O-NH2 2.76Å; G116-R141 WeakPolarHBondContact O-CG 3.49Å; G116-R141 PolarHBondContact O-N 3.43Å; I139-R141 PolarHBondContact O-N 3.33Å; R141-V143 PolarHBondContact O-N 3.08Å; R141-V143 VanDerWaalsContact O-N 3.15Å; R141-L144 HydrophobicContact CG-CD1 4.39Å; R141-L144 WeakPolarHBondContact O-CB 3.26Å; R141-L144 PolarHBondContact O-N 3.3Å; R141-M401 PolarHBondContact NE-O 2.72Å; R141-M401 PolarHBondContact NH1-O 3.17Å; R141-T402 PolarHBondContact NH2-O 3.43Å; R141-F403 HydrophobicContact CG-CE1 4.06Å; R141-F403 HydrophobicContact CG-CZ 3.95Å; R141-F403 PolarHBondContact NE-O 3.1Å; R141-F403 PolarHBondContact NH2-O 2.98Å; R141-I460 WeakPolarHBondContact O-CD1 3.44Å
142	P	90.7	Very high	95.1	Very high	31 Å²	31	18.3 Å²	18.3	20%	0.201	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-61.2	-25.4	-179.6	-26.9	38.5	0	0	0	114.3	L17 L20 Q145	L17-P142 HydrophobicContact CD2-CB 3.64Å; L17-P142 HydrophobicContact CD2-CG 3.84Å; L17-P142 HydrophobicContact CG-CG 4.49Å; L20-P142 HydrophobicContact CD1-CB 3.83Å; P142-Q145 PolarHBondContact O-NE2 2.73Å
143	V	92.8	Very high	95.2	Very high	18 Å²	18	21.3 Å²	21.3	11%	0.109	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-99.6	-2.3	-177.9	-55.4	0	0	0	0	113.3	D77 I139 R140 R141 Q145 Y146	D77-V143 HydrophobicContact CB-CG2 4.46Å; I139-V143 HydrophobicContact CG2-CG2 3.67Å; R140-V143 HydrophobicContact CB-CG2 3.96Å; R140-V143 WeakPolarHBondContact O-CG2 3.26Å; R140-V143 PolarHBondContact O-N 3.49Å; R141-V143 PolarHBondContact O-N 3.08Å; R141-V143 VanDerWaalsContact O-N 3.15Å; V143-Q145 PolarHBondContact O-N 3.14Å; V143-Y146 HydrophobicContact CB-CD2 3.8Å; V143-Y146 HydrophobicContact CB-CE2 4.28Å; V143-Y146 HydrophobicContact CG1-CD2 4.15Å; V143-Y146 HydrophobicContact CG1-CE2 4.17Å; V143-Y146 PolarHBondContact O-N 2.74Å
144	L	94.8	Very high	95.2	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.031	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-54.5	-35.8	172.5	-85.6	167.9	0	0	0	112	L120 I139 R140 R141 Y146 V147 F403 L457 I460	L120-L144 HydrophobicContact CD2-CD2 3.74Å; I139-L144 HydrophobicContact CB-CD2 3.63Å; I139-L144 HydrophobicContact CB-CG 4.07Å; I139-L144 HydrophobicContact CG1-CD2 4.16Å; I139-L144 HydrophobicContact CG2-CD2 4.02Å; I139-L144 HydrophobicContact CG2-CG 4.09Å; R140-L144 PolarHBondContact O-N 3.39Å; R141-L144 HydrophobicContact CG-CD1 4.39Å; R141-L144 WeakPolarHBondContact O-CB 3.26Å; R141-L144 PolarHBondContact O-N 3.3Å; L144-Y146 PolarHBondContact O-N 3.41Å; L144-Y146 VanDerWaalsContact O-N 3.15Å; L144-V147 WeakPolarHBondContact O-CB 3.49Å; L144-V147 PolarHBondContact O-N 3.02Å; L144-F403 HydrophobicContact CD1-CE2 3.97Å; L144-F403 HydrophobicContact CD1-CZ 3.81Å; L144-L457 HydrophobicContact CD1-CD1 4.46Å; L144-I460 HydrophobicContact CB-CD1 3.59Å; L144-I460 HydrophobicContact CD1-CD1 4Å; L144-I460 HydrophobicContact CG-CD1 4.45Å
145	Q	91.7	Very high	95.1	Very high	25 Å²	25	25 Å²	25	12%	0.117	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-59.8	-23.2	178.2	66.1	-175.6	-56.1	0	0	113.6	P142 V143 V147 R148	P142-Q145 PolarHBondContact O-NE2 2.73Å; V143-Q145 PolarHBondContact O-N 3.14Å; Q145-V147 VanDerWaalsContact C-N 3.31Å; Q145-R148 PolarHBondContact O-NH1 3.33Å
146	Y	92.5	Very high	94.9	Very high	38 Å²	38	29.9 Å²	29.9	15%	0.149	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-84	-6	176.2	-55.3	-64.3	0	0	0	113.2	V143 L144 R148 G176 L351	V143-Y146 HydrophobicContact CB-CD2 3.8Å; V143-Y146 HydrophobicContact CB-CE2 4.28Å; V143-Y146 HydrophobicContact CG1-CD2 4.15Å; V143-Y146 HydrophobicContact CG1-CE2 4.17Å; V143-Y146 PolarHBondContact O-N 2.74Å; L144-Y146 PolarHBondContact O-N 3.41Å; L144-Y146 VanDerWaalsContact O-N 3.15Å; Y146-R148 PolarHBondContact O-N 2.74Å; Y146-G176 PolarHBondContact O-N 2.9Å; Y146-L351 HydrophobicContact CD1-CD1 4.1Å; Y146-L351 HydrophobicContact CD1-CD2 3.79Å; Y146-L351 HydrophobicContact CE1-CD1 3.66Å; Y146-L351 HydrophobicContact CE1-CD2 4.16Å
147	V	94.9	Very high	94.6	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	105.9	168.3	178.9	0	0	0	0	108.4	L120 I139 L144 Q145 V150 I173 F174 C456	L120-V147 HydrophobicContact CD1-CG1 4.43Å; L120-V147 HydrophobicContact CD2-CG1 4.37Å; I139-V147 HydrophobicContact CG1-CG2 4.23Å; I139-V147 HydrophobicContact CG2-CG2 4.41Å; L144-V147 WeakPolarHBondContact O-CB 3.49Å; L144-V147 PolarHBondContact O-N 3.02Å; Q145-V147 VanDerWaalsContact C-N 3.31Å; V147-V150 HydrophobicContact CG1-CG1 3.6Å; V147-I173 HydrophobicContact CG1-CG2 3.83Å; V147-I173 HydrophobicContact CG2-CG2 4.25Å; V147-F174 CarbonylContact C-O 3.51Å; V147-F174 WeakPolarHBondContact CA-O 2.82Å; V147-C456 HydrophobicContact CG1-CB 4.04Å; V147-C456 PolarHBondContact O-SG 3.35Å
148	R	92.4	Very high	93.8	Very high	37 Å²	37	29.6 Å²	29.6	14%	0.14	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-31.5	-174.2	-56.4	-50.9	-170.5	-162.9	7.6	113.6	Q145 Y146 F174 G176 D177 N454 C456	Q145-R148 PolarHBondContact O-NH1 3.33Å; Y146-R148 PolarHBondContact O-N 2.74Å; R148-F174 HydrophobicContact CB-CB 4.25Å; R148-F174 PolarHBondContact N-O 2.85Å; R148-G176 WeakPolarHBondContact CG-O 3.43Å; R148-G176 PolarHBondContact NE-O 2.94Å; R148-D177 IonicContact CZ-OD1 3.4Å; R148-D177 IonicContact NE-OD1 2.82Å; R148-D177 IonicContact NH2-OD1 3.09Å; R148-D177 PolarHBondContact NH2-OD1 2.91Å; R148-D177 VanDerWaalsContact NH2-OD1 3.1Å; R148-N454 VanDerWaalsContact O-CB 3.25Å; R148-N454 WeakPolarHBondContact O-CB 3.46Å; R148-N454 PolarHBondContact O-ND2 3.05Å; R148-C456 VanDerWaalsContact C-SG 3.54Å; R148-C456 PolarHBondContact O-SG 2.94Å
149	K	94	Very high	93	Very high	68 Å²	68	37 Å²	37	30%	0.296	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	149.4	-176.7	-179.8	175.4	-176.6	-159.7	0	110.4	E151 F174 N454	K149-E151 WeakPolarHBondContact CE-OE1 3.32Å; K149-E151 HydrophobicContact CG-CG 4.47Å; K149-E151 IonicContact NZ-OE1 3.4Å; K149-E151 PolarHBondContact NZ-OE1 3.09Å; K149-F174 HydrophobicContact CB-CB 4.21Å; K149-F174 HydrophobicContact CB-CD2 3.66Å; K149-F174 HydrophobicContact CB-CE2 4.32Å; K149-F174 HydrophobicContact CB-CG 4.16Å; K149-F174 HydrophobicContact CD-CD2 4.2Å; K149-F174 HydrophobicContact CD-CE2 4.01Å; K149-F174 HydrophobicContact CG-CD2 3.96Å; K149-F174 HydrophobicContact CG-CE2 4.15Å; K149-F174 WeakPolarHBondContact O-CD2 3.48Å; K149-F174 PolarHBondContact O-N 3.13Å; K149-N454 WeakPolarHBondContact CA-O 3.29Å; K149-N454 HydrophobicContact CB-CB 4.13Å; K149-N454 HydrophobicContact CG-CB 4.3Å
150	V	95.9	Very high	91.9	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.018	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.4	173	-60	0	0	0	0	111.7	L120 F122 V147 K172 I173 N454 R455 C456	L120-V150 HydrophobicContact CD1-CG1 4.04Å; F122-V150 HydrophobicContact CB-CG2 4.49Å; F122-V150 HydrophobicContact CD1-CB 3.72Å; F122-V150 HydrophobicContact CD1-CG2 4.05Å; F122-V150 HydrophobicContact CE1-CB 3.68Å; F122-V150 HydrophobicContact CE1-CG1 4.27Å; F122-V150 HydrophobicContact CE1-CG2 4.47Å; F122-V150 HydrophobicContact CG-CB 4.23Å; F122-V150 HydrophobicContact CG-CG2 4.14Å; F122-V150 HydrophobicContact CZ-CB 4.2Å; F122-V150 HydrophobicContact CZ-CG1 4.33Å; V147-V150 HydrophobicContact CG1-CG1 3.6Å; V150-K172 CarbonylContact C-O 3.57Å; V150-K172 VanDerWaalsContact CA-O 3.3Å; V150-K172 WeakPolarHBondContact CA-O 3.44Å; V150-I173 HydrophobicContact CG1-CG1 4.44Å; V150-I173 HydrophobicContact CG1-CG2 4.34Å; V150-N454 PolarHBondContact N-O 2.72Å; V150-R455 HydrophobicContact CG2-CB 3.74Å; V150-R455 WeakPolarHBondContact CG2-O 3.39Å; V150-C456 HydrophobicContact CG1-CB 4.49Å
151	E	95	Very high	90.8	Very high	28 Å²	28	40.7 Å²	40.7	13%	0.131	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	150.2	179.4	-56.8	-178.2	168.6	0	0	110.5	F122 K149 A171 K172 F174 L211 S212	F122-E151 VanDerWaalsContact CD1-O 3.29Å; F122-E151 WeakPolarHBondContact CD1-O 3.41Å; F122-E151 VanDerWaalsContact CE1-O 3.32Å; F122-E151 WeakPolarHBondContact CE1-O 3.47Å; K149-E151 WeakPolarHBondContact CE-OE1 3.32Å; K149-E151 HydrophobicContact CG-CG 4.47Å; K149-E151 IonicContact NZ-OE1 3.4Å; K149-E151 PolarHBondContact NZ-OE1 3.09Å; E151-A171 CarbonylContact O-C 3.59Å; E151-A171 WeakPolarHBondContact O-CA 3.45Å; E151-K172 HydrophobicContact CB-CB 4.33Å; E151-K172 PolarHBondContact N-O 2.91Å; E151-K172 PolarHBondContact O-N 3.23Å; E151-F174 HydrophobicContact CG-CE2 4.44Å; E151-L211 HydrophobicContact CB-CD2 4.02Å; E151-S212 WeakPolarHBondContact OE1-CB 3.33Å; E151-S212 WeakPolarHBondContact OE2-CB 3.13Å; E151-S212 PolarHBondContact OE2-N 3.21Å
152	V	95.1	Very high	89.5	Confident	27 Å²	27	48.8 Å²	48.8	16%	0.164	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	143.2	179.3	61.9	0	0	0	0	110.9	F122 N123 L128 Y154 I169 C170	F122-V152 HydrophobicContact CB-CB 4.21Å; F122-V152 HydrophobicContact CB-CG1 4.08Å; F122-V152 HydrophobicContact CD1-CB 4Å; F122-V152 HydrophobicContact CG-CB 4.48Å; N123-V152 HydrophobicContact CB-CG1 4.27Å; L128-V152 HydrophobicContact CD2-CG2 4.06Å; L128-V152 HydrophobicContact CG-CG2 4.04Å; V152-Y154 HydrophobicContact CG1-CE2 4.43Å; V152-Y154 HydrophobicContact CG2-CE1 4.26Å; V152-Y154 HydrophobicContact CG2-CE2 4.04Å; V152-I169 HydrophobicContact CG2-CG2 4.2Å; V152-C170 CarbonylContact C-O 3.57Å; V152-C170 VanDerWaalsContact CA-O 3.27Å; V152-C170 WeakPolarHBondContact CA-O 3.42Å
153	K	94.1	Very high	88.8	Confident	74 Å²	74	51.5 Å²	51.5	32%	0.322	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	147.3	174.3	-170.5	170.2	-166	179.8	0	110.2	C170 K208 R210 L211	K153-C170 HydrophobicContact CB-CB 4.43Å; K153-C170 PolarHBondContact N-O 2.85Å; K153-C170 PolarHBondContact O-N 2.66Å; K153-K208 VanDerWaalsContact CD-O 3.26Å; K153-K208 WeakPolarHBondContact CD-O 3.29Å; K153-K208 WeakPolarHBondContact CE-O 3.27Å; K153-K208 PolarHBondContact NZ-O 2.81Å; K153-R210 VanDerWaalsContact CD-O 3.28Å; K153-R210 WeakPolarHBondContact CD-O 3.43Å; K153-R210 PolarHBondContact NZ-O 3.27Å; K153-L211 HydrophobicContact CB-CD2 3.5Å; K153-L211 VanDerWaalsContact CB-CD2 3.5Å; K153-L211 HydrophobicContact CB-CG 4.25Å
154	Y	94.3	Very high	88.2	Confident	82 Å²	82	51 Å²	51	32%	0.322	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.7	-178.6	-56.8	-84.4	0	0	0	108.9	N123 M130 V152 I169	N123-Y154 PolarHBondContact ND2-OH 3.06Å; M130-Y154 HydrophobicContact CB-CD1 3.99Å; V152-Y154 HydrophobicContact CG1-CE2 4.43Å; V152-Y154 HydrophobicContact CG2-CE1 4.26Å; V152-Y154 HydrophobicContact CG2-CE2 4.04Å; Y154-I169 HydrophobicContact CD1-CB 4.48Å; Y154-I169 HydrophobicContact CD1-CG1 4.02Å; Y154-I169 HydrophobicContact CD1-CG2 4.16Å; Y154-I169 HydrophobicContact CE1-CD1 4.32Å; Y154-I169 HydrophobicContact CE1-CG1 4.21Å; Y154-I169 HydrophobicContact CE1-CG2 3.9Å
155	V	94.7	Very high	87.8	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	114.7	177	-176	0	0	0	0	108.3	M130 T157 G167 A168 I205 K208	M130-V155 WeakPolarHBondContact CE-O 3.39Å; V155-T157 HydrophobicContact CG1-CG2 4.48Å; V155-G167 CarbonylContact O-C 3.47Å; V155-G167 VanDerWaalsContact O-CA 3.26Å; V155-G167 WeakPolarHBondContact O-CA 3.32Å; V155-A168 PolarHBondContact N-O 3.01Å; V155-A168 PolarHBondContact O-N 2.97Å; V155-I205 HydrophobicContact CB-CG1 4.36Å; V155-I205 HydrophobicContact CG1-CG1 4.03Å; V155-K208 HydrophobicContact CB-CB 4.46Å; V155-K208 HydrophobicContact CG1-CB 3.85Å; V155-K208 HydrophobicContact CG1-CD 3.97Å; V155-K208 HydrophobicContact CG1-CG 4.49Å; V155-K208 HydrophobicContact CG2-CB 3.71Å
156	K	94.8	Very high	87.9	Confident	104 Å²	104	54.3 Å²	54.3	45%	0.452	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	135.6	176.5	-61.7	178.1	-177.8	174.2	0	109.7	M130 G161	M130-K156 HydrophobicContact CE-CG 4.36Å; M130-K156 HydrophobicContact SD-CG 3.6Å; M130-K156 VanDerWaalsContact SD-CG 3.6Å; K156-G161 WeakPolarHBondContact CB-O 3.26Å; K156-G161 WeakPolarHBondContact O-CA 3.38Å
157	T	92.4	Very high	88	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	-16.7	176.8	62.2	0	0	0	0	113.1	V155 G161 K166 G167 Y197 E201 L204 I205	V155-T157 HydrophobicContact CG1-CG2 4.48Å; T157-G161 PolarHBondContact O-N 3Å; T157-K166 PolarHBondContact N-O 3.46Å; T157-K166 WeakPolarHBondContact OG1-CB 3.41Å; T157-K166 PolarHBondContact OG1-O 2.54Å; T157-G167 WeakPolarHBondContact OG1-CA 3.5Å; T157-G167 PolarHBondContact OG1-N 2.9Å; T157-Y197 PolarHBondContact O-OH 3.45Å; T157-Y197 VanDerWaalsContact O-OH 3.12Å; T157-E201 VanDerWaalsContact CB-OE1 3.24Å; T157-E201 WeakPolarHBondContact CB-OE1 3.21Å; T157-E201 HydrophobicContact CG2-CB 4.25Å; T157-E201 HydrophobicContact CG2-CG 4.13Å; T157-E201 PolarHBondContact OG1-OE1 3.13Å; T157-L204 HydrophobicContact CG2-CD2 4.03Å; T157-I205 HydrophobicContact CG2-CD1 4.24Å; T157-I205 HydrophobicContact CG2-CG1 4.06Å
158	G	81.7	Confident	88.2	Confident	2 Å²	2	52.4 Å²	52.4	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-62.4	140.5	-178.8	0	0	0	0	0	112.6	G161 Y162 L163	G158-G161 CarbonylContact O-C 3.54Å; G158-G161 PolarHBondContact O-N 2.77Å; G158-G161 VanDerWaalsContact O-N 3.14Å; G158-Y162 PolarHBondContact O-N 3.11Å; G158-L163 WeakPolarHBondContact CA-O 3.3Å; G158-L163 PolarHBondContact N-O 2.99Å; G158-L163 PolarHBondContact O-N 3.37Å
159	F	80.9	Confident	88.4	Confident	157 Å²	157	50.7 Å²	50.7	69%	0.689	24%	0.237	S	C	*	.	H	α-helix	trans	49.2	58.7	-175.3	-158.9	-96.7	0	0	0	111.5	G161 Y162 L163	F159-G161 PolarHBondContact O-N 2.96Å; F159-Y162 HydrophobicContact CD1-CD2 4.28Å; F159-Y162 VanDerWaalsContact O-CD2 3.24Å; F159-Y162 WeakPolarHBondContact O-CD2 3.38Å; F159-Y162 PolarHBondContact O-N 2.95Å; F159-L163 HydrophobicContact CB-CD1 3.93Å; F159-L163 HydrophobicContact CB-CG 4.2Å
160	N	75.9	Confident	88.5	Confident	117 Å²	117	47.4 Å²	47.4	63%	0.626	22%	0.223	S	C	*	.	H	α-helix	trans	57.1	31.5	-177.2	-65.6	-6.4	0	0	0	114.4	Y197	N160-Y197 PolarHBondContact N-OH 2.98Å; N160-Y197 PolarHBondContact OD1-OH 3.01Å
161	G	72.9	Confident	88.6	Confident	21 Å²	21	47.3 Å²	47.3	22%	0.216	22%	0.222	C	C	.	.	H	α-helix	trans	97.3	-1.9	174.8	0	0	0	0	0	116.5	K156 T157 G158 F159	K156-G161 WeakPolarHBondContact CB-O 3.26Å; K156-G161 WeakPolarHBondContact O-CA 3.38Å; T157-G161 PolarHBondContact O-N 3Å; G158-G161 CarbonylContact O-C 3.54Å; G158-G161 PolarHBondContact O-N 2.77Å; G158-G161 VanDerWaalsContact O-N 3.14Å; F159-G161 PolarHBondContact O-N 2.96Å
162	Y	67.5	Low	88.6	Confident	182 Å²	182	46.4 Å²	46.4	71%	0.714	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-30.7	-179	-68.6	-71.8	0	0	0	113.7	G158 F159	G158-Y162 PolarHBondContact O-N 3.11Å; F159-Y162 HydrophobicContact CD1-CD2 4.28Å; F159-Y162 VanDerWaalsContact O-CD2 3.24Å; F159-Y162 WeakPolarHBondContact O-CD2 3.38Å; F159-Y162 PolarHBondContact O-N 2.95Å
163	L	77.1	Confident	88.6	Confident	89 Å²	89	45.1 Å²	45.1	47%	0.466	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	142.9	-174.2	-64.4	175.9	0	0	0	112.5	G158 F159 H165	G158-L163 WeakPolarHBondContact CA-O 3.3Å; G158-L163 PolarHBondContact N-O 2.99Å; G158-L163 PolarHBondContact O-N 3.37Å; F159-L163 HydrophobicContact CB-CD1 3.93Å; F159-L163 HydrophobicContact CB-CG 4.2Å; L163-H165 WeakPolarHBondContact CB-ND1 3.06Å
164	G	79.5	Confident	88.6	Confident	6 Å²	6	43.5 Å²	43.5	6%	0.062	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	11.7	-176.7	0	0	0	0	0	116	V131 K166	V131-G164 VanDerWaalsContact CG2-C 3.46Å; V131-G164 WeakPolarHBondContact CG2-O 3.33Å; G164-K166 PolarHBondContact O-N 2.81Å
165	H	86	Confident	88.6	Confident	84 Å²	84	39.7 Å²	39.7	39%	0.389	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-14.6	176.8	67.7	-86.4	0	0	0	112.8	V131 L163	V131-H165 HydrophobicContact CG1-CB 4.4Å; L163-H165 WeakPolarHBondContact CB-ND1 3.06Å
166	K	93.7	Very high	88.4	Confident	17 Å²	17	39.6 Å²	39.6	7%	0.074	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	154.5	170	-64.2	-66.2	-173.3	-108.8	0	109.7	T157 G164 H187 L188	T157-K166 PolarHBondContact N-O 3.46Å; T157-K166 WeakPolarHBondContact OG1-CB 3.41Å; T157-K166 PolarHBondContact OG1-O 2.54Å; G164-K166 PolarHBondContact O-N 2.81Å; K166-H187 VanDerWaalsContact CA-O 3.3Å; K166-H187 WeakPolarHBondContact CA-O 3.47Å; K166-H187 WeakPolarHBondContact CB-O 3.1Å; K166-H187 HydrophobicContact CD-CB 4.36Å; K166-H187 WeakPolarHBondContact CD-O 3.45Å; K166-H187 PolarHBondContact NZ-CE1 3.18Å; K166-H187 PolarHBondContact NZ-NE2 2.76Å; K166-L188 WeakPolarHBondContact CD-O 3.28Å; K166-L188 WeakPolarHBondContact CE-O 3.4Å
167	G	96.3	Very high	88.1	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	130.9	-139.7	176.6	0	0	0	0	0	111.6	V155 T157 S186 H187	V155-G167 CarbonylContact O-C 3.47Å; V155-G167 VanDerWaalsContact O-CA 3.26Å; V155-G167 WeakPolarHBondContact O-CA 3.32Å; T157-G167 WeakPolarHBondContact OG1-CA 3.5Å; T157-G167 PolarHBondContact OG1-N 2.9Å; G167-S186 CarbonylContact O-C 3.57Å; G167-S186 WeakPolarHBondContact O-CA 3.42Å; G167-S186 WeakPolarHBondContact O-CB 3.34Å; G167-H187 PolarHBondContact N-O 3.29Å; G167-H187 PolarHBondContact O-N 3.24Å
168	A	97.5	Very high	87.7	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	150.7	-178.1	0	0	0	0	0	114.6	V155 V184 N185 I205	V155-A168 PolarHBondContact N-O 3.01Å; V155-A168 PolarHBondContact O-N 2.97Å; A168-V184 HydrophobicContact CB-CG1 3.86Å; A168-N185 CarbonylContact C-O 3.57Å; A168-N185 VanDerWaalsContact CA-O 3.22Å; A168-N185 WeakPolarHBondContact CA-O 3.19Å; A168-I205 HydrophobicContact CB-CD1 3.91Å; A168-I205 HydrophobicContact CB-CG1 4.03Å; A168-I205 HydrophobicContact CB-CG2 3.63Å
169	I	97.3	Very high	88.2	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	116	162.9	-53.7	-177.7	0	0	0	107.2	L128 M130 M133 L135 V152 Y154 N185	L128-I169 HydrophobicContact CB-CG2 4.03Å; L128-I169 HydrophobicContact CD2-CG2 4.48Å; L128-I169 WeakPolarHBondContact O-CD1 3.35Å; M130-I169 HydrophobicContact CB-CD1 4.22Å; M130-I169 HydrophobicContact CB-CG1 4.18Å; M133-I169 HydrophobicContact CB-CD1 3.95Å; M133-I169 HydrophobicContact CB-CG1 4.37Å; M133-I169 WeakPolarHBondContact O-CD1 3.41Å; L135-I169 HydrophobicContact CB-CB 4.35Å; L135-I169 HydrophobicContact CB-CD1 4.41Å; L135-I169 HydrophobicContact CB-CG2 3.98Å; L135-I169 HydrophobicContact CD2-CG2 4.04Å; V152-I169 HydrophobicContact CG2-CG2 4.2Å; Y154-I169 HydrophobicContact CD1-CB 4.48Å; Y154-I169 HydrophobicContact CD1-CG1 4.02Å; Y154-I169 HydrophobicContact CD1-CG2 4.16Å; Y154-I169 HydrophobicContact CE1-CD1 4.32Å; Y154-I169 HydrophobicContact CE1-CG1 4.21Å; Y154-I169 HydrophobicContact CE1-CG2 3.9Å; I169-N185 PolarHBondContact N-O 3.04Å; I169-N185 PolarHBondContact O-N 3.37Å
170	C	96.5	Very high	88.8	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124.8	176.8	-67.9	0	0	0	0	110.4	V152 K153 L183 C209 L211	V152-C170 CarbonylContact C-O 3.57Å; V152-C170 VanDerWaalsContact CA-O 3.27Å; V152-C170 WeakPolarHBondContact CA-O 3.42Å; K153-C170 HydrophobicContact CB-CB 4.43Å; K153-C170 PolarHBondContact N-O 2.85Å; K153-C170 PolarHBondContact O-N 2.66Å; C170-L183 CarbonylContact C-O 3.57Å; C170-L183 WeakPolarHBondContact CA-O 3.47Å; C170-C209 HydrophobicContact CB-CB 4.25Å; C170-C209 WeakPolarHBondContact CB-SG 3.39Å; C170-C209 WeakPolarHBondContact SG-CB 3.47Å; C170-C209 CovalentContact SG-SG 2.04Å; C170-C209 PolarHBondContact SG-SG 3.28Å; C170-L211 HydrophobicContact CB-CD1 3.94Å
171	A	97	Very high	89.8	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	124.4	177.1	0	0	0	0	0	110.2	F122 L128 L135 E151 V182 L183	F122-A171 HydrophobicContact CD1-CB 4.22Å; F122-A171 HydrophobicContact CE1-CB 3.45Å; F122-A171 VanDerWaalsContact CE1-CB 3.45Å; F122-A171 HydrophobicContact CZ-CB 3.66Å; L128-A171 HydrophobicContact CD2-CB 3.93Å; L135-A171 HydrophobicContact CD2-CB 3.6Å; E151-A171 CarbonylContact O-C 3.59Å; E151-A171 WeakPolarHBondContact O-CA 3.45Å; A171-V182 CarbonylContact O-C 3.47Å; A171-V182 WeakPolarHBondContact O-CA 3.02Å; A171-L183 HydrophobicContact CB-CB 4.29Å; A171-L183 PolarHBondContact N-O 3.02Å; A171-L183 PolarHBondContact O-N 2.6Å
172	K	95.2	Very high	90.9	Very high	10 Å²	10	22.4 Å²	22.4	4%	0.043	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	133.3	175.9	178.9	175.8	-172.7	179.6	0	109.6	V150 E151 F174 N180 V181 V182 L211 S212 Y220	V150-K172 CarbonylContact C-O 3.57Å; V150-K172 VanDerWaalsContact CA-O 3.3Å; V150-K172 WeakPolarHBondContact CA-O 3.44Å; E151-K172 HydrophobicContact CB-CB 4.33Å; E151-K172 PolarHBondContact N-O 2.91Å; E151-K172 PolarHBondContact O-N 3.23Å; K172-F174 HydrophobicContact CD-CE2 3.86Å; K172-F174 HydrophobicContact CD-CZ 3.92Å; K172-F174 HydrophobicContact CG-CD2 4.39Å; K172-F174 HydrophobicContact CG-CE2 3.99Å; K172-F174 HydrophobicContact CG-CZ 4.45Å; K172-N180 VanDerWaalsContact CE-CB 3.48Å; K172-N180 WeakPolarHBondContact CE-OD1 3.33Å; K172-N180 HydrophobicContact CG-CB 4.41Å; K172-V181 WeakPolarHBondContact CA-O 3.46Å; K172-V182 HydrophobicContact CB-CG2 4.1Å; K172-V182 HydrophobicContact CD-CG2 4.38Å; K172-V182 HydrophobicContact CG-CG2 4.05Å; K172-L211 HydrophobicContact CB-CB 4.1Å; K172-L211 HydrophobicContact CB-CD1 3.53Å; K172-L211 HydrophobicContact CB-CG 4.35Å; K172-L211 HydrophobicContact CD-CB 3.95Å; K172-S212 PolarHBondContact NZ-OG 3.13Å; K172-Y220 HydrophobicContact CD-CD1 4.45Å; K172-Y220 HydrophobicContact CD-CE1 4.16Å
173	I	96.2	Very high	92.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126.5	-179.8	-52.9	173	0	0	0	107.5	W42 M78 L120 F122 V137 V147 V150 V175 N180 V181 L183	W42-I173 HydrophobicContact CH2-CG2 4.2Å; M78-I173 HydrophobicContact SD-CD1 3.88Å; L120-I173 HydrophobicContact CD1-CD1 4.06Å; L120-I173 HydrophobicContact CD1-CG1 4.46Å; F122-I173 HydrophobicContact CE1-CG1 4.31Å; F122-I173 HydrophobicContact CZ-CD1 4.15Å; F122-I173 HydrophobicContact CZ-CG1 3.85Å; V137-I173 HydrophobicContact CG1-CD1 3.81Å; V147-I173 HydrophobicContact CG1-CG2 3.83Å; V147-I173 HydrophobicContact CG2-CG2 4.25Å; V150-I173 HydrophobicContact CG1-CG1 4.44Å; V150-I173 HydrophobicContact CG1-CG2 4.34Å; I173-V175 HydrophobicContact CG2-CG2 4.01Å; I173-N180 CarbonylContact O-C 3.53Å; I173-N180 WeakPolarHBondContact O-CA 3.38Å; I173-V181 PolarHBondContact N-O 2.88Å; I173-V181 PolarHBondContact O-N 3.14Å; I173-L183 HydrophobicContact CD1-CD1 3.77Å
174	F	94.3	Very high	93.3	Very high	39 Å²	39	9.6 Å²	9.6	17%	0.171	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.6	172.1	-66.4	-99.8	0	0	0	108.8	V147 R148 K149 E151 K172 N180	V147-F174 CarbonylContact C-O 3.51Å; V147-F174 WeakPolarHBondContact CA-O 2.82Å; R148-F174 HydrophobicContact CB-CB 4.25Å; R148-F174 PolarHBondContact N-O 2.85Å; K149-F174 HydrophobicContact CB-CB 4.21Å; K149-F174 HydrophobicContact CB-CD2 3.66Å; K149-F174 HydrophobicContact CB-CE2 4.32Å; K149-F174 HydrophobicContact CB-CG 4.16Å; K149-F174 HydrophobicContact CD-CD2 4.2Å; K149-F174 HydrophobicContact CD-CE2 4.01Å; K149-F174 HydrophobicContact CG-CD2 3.96Å; K149-F174 HydrophobicContact CG-CE2 4.15Å; K149-F174 WeakPolarHBondContact O-CD2 3.48Å; K149-F174 PolarHBondContact O-N 3.13Å; E151-F174 HydrophobicContact CG-CE2 4.44Å; K172-F174 HydrophobicContact CD-CE2 3.86Å; K172-F174 HydrophobicContact CD-CZ 3.92Å; K172-F174 HydrophobicContact CG-CD2 4.39Å; K172-F174 HydrophobicContact CG-CE2 3.99Å; K172-F174 HydrophobicContact CG-CZ 4.45Å; F174-N180 HydrophobicContact CD1-CB 4.17Å; F174-N180 HydrophobicContact CE1-CB 4.3Å
175	V	93.8	Very high	94.3	Very high	3 Å²	3	9.3 Å²	9.3	2%	0.018	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.7	-168.7	-167.8	0	0	0	0	108.9	F40 W42 I173 D177 V179 V181	F40-V175 HydrophobicContact CZ-CG1 4.2Å; W42-V175 HydrophobicContact CD2-CG1 4.04Å; W42-V175 HydrophobicContact CE3-CB 4.26Å; W42-V175 HydrophobicContact CE3-CG1 3.67Å; W42-V175 HydrophobicContact CE3-CG2 3.68Å; W42-V175 HydrophobicContact CH2-CG1 4.07Å; W42-V175 HydrophobicContact CH2-CG2 3.61Å; W42-V175 HydrophobicContact CZ2-CG1 4.35Å; W42-V175 HydrophobicContact CZ3-CB 4.03Å; W42-V175 HydrophobicContact CZ3-CG1 3.76Å; W42-V175 HydrophobicContact CZ3-CG2 3.06Å; I173-V175 HydrophobicContact CG2-CG2 4.01Å; V175-D177 PolarHBondContact O-N 2.97Å; V175-V179 PolarHBondContact N-O 2.7Å; V175-V179 PolarHBondContact O-N 2.74Å; V175-V181 HydrophobicContact CG2-CG2 4.05Å
176	G	89.7	Confident	94.8	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	-131.4	-178.6	0	0	0	0	0	110.6	Y146 R148	Y146-G176 PolarHBondContact O-N 2.9Å; R148-G176 WeakPolarHBondContact CG-O 3.43Å; R148-G176 PolarHBondContact NE-O 2.94Å
177	D	87.9	Confident	95	Very high	21 Å²	21	4.6 Å²	4.6	11%	0.112	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	27.2	-175.4	-60.2	-41.4	0	0	0	113.8	R148 V175 Q314 Y350 L351 L352 S355	R148-D177 IonicContact CZ-OD1 3.4Å; R148-D177 IonicContact NE-OD1 2.82Å; R148-D177 IonicContact NH2-OD1 3.09Å; R148-D177 PolarHBondContact NH2-OD1 2.91Å; R148-D177 VanDerWaalsContact NH2-OD1 3.1Å; V175-D177 PolarHBondContact O-N 2.97Å; D177-Q314 PolarHBondContact O-NE2 3.48Å; D177-Y350 HydrophobicContact CB-CE2 4.44Å; D177-Y350 PolarHBondContact N-O 2.87Å; D177-Y350 VanDerWaalsContact N-O 3.16Å; D177-L351 VanDerWaalsContact OD2-CA 3.24Å; D177-L351 WeakPolarHBondContact OD2-CA 3.42Å; D177-L352 HydrophobicContact CB-CD1 4.3Å; D177-L352 HydrophobicContact CB-CG 4.02Å; D177-L352 PolarHBondContact OD2-N 3.49Å; D177-S355 PolarHBondContact OD1-OG 3.16Å; D177-S355 WeakPolarHBondContact OD2-CB 3.13Å; D177-S355 PolarHBondContact OD2-OG 3.06Å
178	G	84	Confident	95.1	Very high	8 Å²	8	4.6 Å²	4.6	8%	0.082	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	160.3	-8	166	0	0	0	0	0	117.7	Q314	G178-Q314 VanDerWaalsContact CA-CD 3.44Å
179	V	93.2	Very high	95	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.006	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	129	-178.9	176.5	0	0	0	0	110.2	V175 D221 Y222 L320 Y350	V175-V179 PolarHBondContact N-O 2.7Å; V175-V179 PolarHBondContact O-N 2.74Å; V179-D221 WeakPolarHBondContact CA-OD2 3.31Å; V179-D221 HydrophobicContact CG1-CB 4.26Å; V179-Y222 HydrophobicContact CG1-CD2 3.68Å; V179-Y222 HydrophobicContact CG1-CE2 3.49Å; V179-Y222 VanDerWaalsContact CG1-CE2 3.49Å; V179-L320 HydrophobicContact CG2-CD2 4.39Å; V179-Y350 HydrophobicContact CG2-CD1 3.63Å; V179-Y350 HydrophobicContact CG2-CE1 3.36Å
180	N	93.8	Very high	94.9	Very high	9 Å²	9	8.7 Å²	8.7	5%	0.048	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.8	178	72.9	93.3	0	0	0	113.4	K172 I173 F174 Y220 D221 Y222	K172-N180 VanDerWaalsContact CE-CB 3.48Å; K172-N180 WeakPolarHBondContact CE-OD1 3.33Å; K172-N180 HydrophobicContact CG-CB 4.41Å; I173-N180 CarbonylContact O-C 3.53Å; I173-N180 WeakPolarHBondContact O-CA 3.38Å; F174-N180 HydrophobicContact CD1-CB 4.17Å; F174-N180 HydrophobicContact CE1-CB 4.3Å; N180-Y220 WeakPolarHBondContact OD1-CA 3.19Å; N180-Y220 WeakPolarHBondContact OD1-CB 3.3Å; N180-Y220 WeakPolarHBondContact OD1-CD1 3.46Å; N180-D221 PolarHBondContact N-OD2 3.25Å; N180-D221 PolarHBondContact ND2-OD2 3.11Å; N180-D221 WeakPolarHBondContact O-CB 3.43Å; N180-D221 PolarHBondContact OD1-N 2.64Å; N180-Y222 PolarHBondContact O-N 2.71Å
181	V	96.1	Very high	94.7	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.006	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	119.7	177.8	-174.8	0	0	0	0	109.1	W42 M78 K172 I173 V175 L183 Y222 L224 I347	W42-V181 HydrophobicContact CE3-CG2 4.41Å; W42-V181 HydrophobicContact CZ3-CG2 4.22Å; M78-V181 HydrophobicContact CE-CG1 4.32Å; K172-V181 WeakPolarHBondContact CA-O 3.46Å; I173-V181 PolarHBondContact N-O 2.88Å; I173-V181 PolarHBondContact O-N 3.14Å; V175-V181 HydrophobicContact CG2-CG2 4.05Å; V181-L183 HydrophobicContact CG1-CD2 4.13Å; V181-Y222 HydrophobicContact CG2-CD2 4.01Å; V181-L224 HydrophobicContact CG1-CD1 4.01Å; V181-L224 HydrophobicContact CG1-CG 4.21Å; V181-I347 HydrophobicContact CG1-CD1 4.3Å; V181-I347 HydrophobicContact CG2-CD1 3.63Å
182	V	96.2	Very high	94.5	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.2	174.2	-178.6	0	0	0	0	110	A171 K172 V184 L211 Y220 Y222 V223 L224	A171-V182 CarbonylContact O-C 3.47Å; A171-V182 WeakPolarHBondContact O-CA 3.02Å; K172-V182 HydrophobicContact CB-CG2 4.1Å; K172-V182 HydrophobicContact CD-CG2 4.38Å; K172-V182 HydrophobicContact CG-CG2 4.05Å; V182-V184 HydrophobicContact CG1-CG2 3.97Å; V182-L211 HydrophobicContact CG1-CD1 4.36Å; V182-Y220 HydrophobicContact CB-CD2 4.28Å; V182-Y220 HydrophobicContact CB-CG 4.42Å; V182-Y220 HydrophobicContact CG2-CD1 3.62Å; V182-Y220 HydrophobicContact CG2-CD2 3.66Å; V182-Y220 HydrophobicContact CG2-CE1 3.98Å; V182-Y220 HydrophobicContact CG2-CE2 4Å; V182-Y220 HydrophobicContact CG2-CG 3.45Å; V182-Y220 VanDerWaalsContact CG2-CG 3.45Å; V182-Y222 PolarHBondContact N-O 2.83Å; V182-V223 HydrophobicContact CB-CG1 4.45Å; V182-V223 HydrophobicContact CB-CG2 4.22Å; V182-V223 HydrophobicContact CG1-CG1 4.48Å; V182-V223 CarbonylContact O-C 3.57Å; V182-V223 WeakPolarHBondContact O-CA 2.92Å; V182-L224 PolarHBondContact O-N 2.86Å
183	L	98.2	Very high	94.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.4	174.6	-53.3	172.7	0	0	0	108.4	I46 M78 V80 L135 V137 C170 A171 I173 V181 L224 F226	I46-L183 HydrophobicContact CD1-CD2 4.15Å; M78-L183 HydrophobicContact CE-CD2 4.47Å; V80-L183 HydrophobicContact CG1-CD1 3.92Å; V80-L183 HydrophobicContact CG1-CD2 4.49Å; V80-L183 HydrophobicContact CG2-CD1 3.77Å; V80-L183 HydrophobicContact CG2-CD2 4.05Å; L135-L183 HydrophobicContact CD2-CB 4.31Å; V137-L183 HydrophobicContact CG1-CD1 4.27Å; V137-L183 HydrophobicContact CG2-CD1 3.57Å; C170-L183 CarbonylContact C-O 3.57Å; C170-L183 WeakPolarHBondContact CA-O 3.47Å; A171-L183 HydrophobicContact CB-CB 4.29Å; A171-L183 PolarHBondContact N-O 3.02Å; A171-L183 PolarHBondContact O-N 2.6Å; I173-L183 HydrophobicContact CD1-CD1 3.77Å; V181-L183 HydrophobicContact CG1-CD2 4.13Å; L183-L224 WeakPolarHBondContact CA-O 3.18Å; L183-L224 HydrophobicContact CD2-CB 4.1Å; L183-L224 HydrophobicContact CD2-CD1 3.86Å; L183-L224 HydrophobicContact CD2-CG 4.3Å; L183-F226 HydrophobicContact CB-CE1 4.18Å; L183-F226 HydrophobicContact CB-CZ 4.48Å
184	V	98	Very high	94.4	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.012	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	103.2	177.8	-173	0	0	0	0	108.5	A168 V182 I205 V223 L224 W225 F226	A168-V184 HydrophobicContact CB-CG1 3.86Å; V182-V184 HydrophobicContact CG1-CG2 3.97Å; V184-I205 HydrophobicContact CG1-CG2 4.08Å; V184-V223 HydrophobicContact CG2-CG1 3.99Å; V184-L224 PolarHBondContact N-O 2.86Å; V184-W225 HydrophobicContact CB-CB 4.23Å; V184-W225 HydrophobicContact CB-CD2 3.86Å; V184-W225 HydrophobicContact CB-CE3 4.2Å; V184-W225 HydrophobicContact CB-CG 3.84Å; V184-W225 HydrophobicContact CG1-CD2 3.64Å; V184-W225 HydrophobicContact CG1-CE3 4.06Å; V184-W225 HydrophobicContact CG1-CG 4Å; V184-W225 HydrophobicContact CG1-CH2 4.45Å; V184-W225 HydrophobicContact CG1-CZ2 4.03Å; V184-W225 HydrophobicContact CG1-CZ3 4.44Å; V184-W225 HydrophobicContact CG2-CD2 4.39Å; V184-W225 HydrophobicContact CG2-CE3 4.23Å; V184-F226 PolarHBondContact O-N 2.88Å
185	N	98.6	Very high	94.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	114.7	169.4	176.1	15	0	0	0	109	G82 L83 Q84 I134 L135 A168 I169 F226	G82-N185 VanDerWaalsContact CA-ND2 3.3Å; G82-N185 WeakPolarHBondContact CA-ND2 3.05Å; L83-N185 PolarHBondContact O-ND2 2.91Å; Q84-N185 PolarHBondContact NE2-OD1 3.33Å; I134-N185 PolarHBondContact O-ND2 3.46Å; L135-N185 HydrophobicContact CB-CB 4.4Å; L135-N185 HydrophobicContact CD1-CB 4.22Å; A168-N185 CarbonylContact C-O 3.57Å; A168-N185 VanDerWaalsContact CA-O 3.22Å; A168-N185 WeakPolarHBondContact CA-O 3.19Å; I169-N185 PolarHBondContact N-O 3.04Å; I169-N185 PolarHBondContact O-N 3.37Å; N185-F226 CarbonylContact C-O 3.58Å; N185-F226 WeakPolarHBondContact CA-O 3.1Å; N185-F226 HydrophobicContact CB-CD2 4.41Å; N185-F226 HydrophobicContact CB-CE2 3.82Å; N185-F226 HydrophobicContact CB-CZ 4.11Å
186	S	98.2	Very high	94.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	154.9	-178.5	63.8	0	0	0	0	115	G167 W225 F226 G227 D228	G167-S186 CarbonylContact O-C 3.57Å; G167-S186 WeakPolarHBondContact O-CA 3.42Å; G167-S186 WeakPolarHBondContact O-CB 3.34Å; S186-W225 PolarHBondContact OG-NE1 3.24Å; S186-F226 PolarHBondContact N-O 2.68Å; S186-G227 CarbonylContact O-C 3.56Å; S186-G227 WeakPolarHBondContact O-CA 3.38Å; S186-D228 PolarHBondContact O-N 3.31Å
187	H	98	Very high	94.9	Very high	3 Å²	3	30 Å²	30	1%	0.014	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	109.8	166.2	-173.3	-174.6	0	0	0	108.6	Q84 E85 M133 K166 G167 D228 N230	Q84-H187 HydrophobicContact CB-CB 4.28Å; Q84-H187 HydrophobicContact CG-CB 3.89Å; E85-H187 WeakPolarHBondContact CG-CE1 3.41Å; E85-H187 IonicContact OE1-CE1 2.7Å; E85-H187 PolarHBondContact OE1-CE1 3.01Å; E85-H187 IonicContact OE1-NE2 3.35Å; M133-H187 HydrophobicContact CG-CB 3.99Å; M133-H187 HydrophobicContact SD-CB 3.41Å; M133-H187 WeakPolarHBondContact SD-CB 3.34Å; K166-H187 VanDerWaalsContact CA-O 3.3Å; K166-H187 WeakPolarHBondContact CA-O 3.47Å; K166-H187 WeakPolarHBondContact CB-O 3.1Å; K166-H187 HydrophobicContact CD-CB 4.36Å; K166-H187 WeakPolarHBondContact CD-O 3.45Å; K166-H187 PolarHBondContact NZ-CE1 3.18Å; K166-H187 PolarHBondContact NZ-NE2 2.76Å; G167-H187 PolarHBondContact N-O 3.29Å; G167-H187 PolarHBondContact O-N 3.24Å; H187-D228 VanDerWaalsContact CA-O 3.29Å; H187-D228 WeakPolarHBondContact CA-O 3.49Å; H187-D228 IonicContact CD2-OD2 3.86Å; H187-D228 IonicContact NE2-OD2 3.14Å; H187-D228 PolarHBondContact NE2-OD2 3.44Å; H187-N230 PolarHBondContact NE2-ND2 2.76Å
188	L	97.7	Very high	95.4	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.162	C	C	.	.			trans	-101.1	171	-172.8	-51.4	-174.8	0	0	0	112.4	K166 R198 E201 I205 D228 M229 N230 F231	K166-L188 WeakPolarHBondContact CD-O 3.28Å; K166-L188 WeakPolarHBondContact CE-O 3.4Å; L188-R198 HydrophobicContact CB-CG 4.08Å; L188-R198 HydrophobicContact CD1-CB 4.45Å; L188-E201 WeakPolarHBondContact CB-OE2 3.44Å; L188-E201 HydrophobicContact CD2-CB 3.9Å; L188-I205 HydrophobicContact CD2-CD1 3.74Å; L188-D228 PolarHBondContact N-O 2.75Å; L188-M229 WeakPolarHBondContact CB-O 3.18Å; L188-M229 HydrophobicContact CD1-CB 4.01Å; L188-M229 HydrophobicContact CD1-CG 4.34Å; L188-M229 HydrophobicContact CG-CB 4.44Å; L188-N230 PolarHBondContact O-ND2 2.97Å; L188-F231 HydrophobicContact CD1-CE2 4.21Å; L188-F231 HydrophobicContact CD1-CZ 4.49Å
189	N	95.8	Very high	96	Very high	31 Å²	31	29.7 Å²	29.7	17%	0.166	16%	0.164	C	C	.	.			trans	-55.5	127.4	-175.8	178.3	52.2	0	0	0	113	Y197 R198 E201 N230	N189-Y197 HydrophobicContact CB-CD1 3.48Å; N189-Y197 VanDerWaalsContact CB-CD1 3.48Å; N189-Y197 HydrophobicContact CB-CE1 4.02Å; N189-Y197 HydrophobicContact CB-CG 4.46Å; N189-R198 HydrophobicContact CB-CG 4.25Å; N189-R198 PolarHBondContact O-NH1 2.95Å; N189-E201 VanDerWaalsContact CB-OE2 3.27Å; N189-E201 WeakPolarHBondContact CB-OE2 3.22Å; N189-E201 PolarHBondContact N-OE2 2.86Å; N189-N230 WeakPolarHBondContact O-CB 3.36Å
190	P	94	Very high	96.2	Very high	55 Å²	55	34.3 Å²	34.3	36%	0.357	18%	0.181	S	C	.	.			trans	-85.8	-8.3	-170	35.7	-37.4	0	0	0	114.2	P192 R232	P190-P192 VanDerWaalsContact O-CD 3.31Å; P190-P192 WeakPolarHBondContact O-CD 3.28Å; P190-R232 PolarHBondContact O-NH2 3.04Å
191	D	93	Very high	96.3	Very high	67 Å²	67	34 Å²	34	36%	0.358	18%	0.179	S	C	.	.			trans	-66.6	114	-179.3	178.7	-1	0	0	0	110.2	N193 N194 R198	D191-N193 PolarHBondContact O-N 3.44Å; D191-N193 VanDerWaalsContact O-N 3.11Å; D191-N193 WeakPolarHBondContact OD1-CB 3.15Å; D191-N193 PolarHBondContact OD1-N 3.35Å; D191-N194 HydrophobicContact CB-CB 3.97Å; D191-N194 PolarHBondContact O-N 3.49Å; D191-N194 VanDerWaalsContact O-N 3.11Å; D191-R198 PolarHBondContact O-NH1 3.15Å; D191-R198 PolarHBondContact O-NH2 3.3Å
192	P	93	Very high	96.3	Very high	45 Å²	45	34.3 Å²	34.3	29%	0.292	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-30.2	-179.1	24	-35	0	0	0	112.7	P190 N194 R198 R232 Q258	P190-P192 VanDerWaalsContact O-CD 3.31Å; P190-P192 WeakPolarHBondContact O-CD 3.28Å; P192-N194 VanDerWaalsContact C-N 3.34Å; P192-R198 PolarHBondContact O-NH2 3.36Å; P192-R232 HydrophobicContact CB-CB 4.44Å; P192-R232 HydrophobicContact CB-CG 3.96Å; P192-Q258 PolarHBondContact O-NE2 3.39Å
193	N	94.9	Very high	96.3	Very high	147 Å²	147	38.2 Å²	38.2	79%	0.786	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-10.9	-175.1	-60.9	-43.4	0	0	0	113.4	D191	D191-N193 PolarHBondContact O-N 3.44Å; D191-N193 VanDerWaalsContact O-N 3.11Å; D191-N193 WeakPolarHBondContact OD1-CB 3.15Å; D191-N193 PolarHBondContact OD1-N 3.35Å
194	N	94.8	Very high	96.1	Very high	56 Å²	56	39.1 Å²	39.1	30%	0.299	21%	0.206	S	C	.	.			trans	-111	59.5	-172.2	-163.5	-3.1	0	0	0	112	D191 P192 D196 Y197	D191-N194 HydrophobicContact CB-CB 3.97Å; D191-N194 PolarHBondContact O-N 3.49Å; D191-N194 VanDerWaalsContact O-N 3.11Å; P192-N194 VanDerWaalsContact C-N 3.34Å; N194-D196 VanDerWaalsContact C-N 3.29Å; N194-Y197 VanDerWaalsContact CG-CB 3.42Å; N194-Y197 WeakPolarHBondContact ND2-CB 3.47Å; N194-Y197 PolarHBondContact O-N 2.91Å; N194-Y197 WeakPolarHBondContact OD1-CB 3.4Å; N194-Y197 PolarHBondContact OD1-N 3.01Å; N194-Y197 VanDerWaalsContact OD1-N 3.14Å
195	A	95.9	Very high	95.9	Very high	17 Å²	17	39 Å²	39	14%	0.14	21%	0.205	C	C	.	.	H	α-helix	trans	-64.3	-35.1	175.6	0	0	0	0	0	111.9	Y197 R198 I199	A195-Y197 VanDerWaalsContact C-N 3.29Å; A195-Y197 PolarHBondContact O-N 3.5Å; A195-R198 WeakPolarHBondContact O-CB 3.4Å; A195-R198 PolarHBondContact O-N 3.07Å; A195-I199 WeakPolarHBondContact O-CG1 3.15Å; A195-I199 PolarHBondContact O-N 2.08Å
196	D	96	Very high	95.7	Very high	127 Å²	127	40.3 Å²	40.3	68%	0.679	21%	0.213	S	C	*	.	H	α-helix	trans	-61.1	-37.6	178.5	-64.4	-26.3	0	0	0	112.2	N194 I199 W200	N194-D196 VanDerWaalsContact C-N 3.29Å; D196-I199 WeakPolarHBondContact O-CB 3.44Å; D196-I199 PolarHBondContact O-N 3.09Å; D196-W200 PolarHBondContact O-N 3.18Å
197	Y	96.1	Very high	95.2	Very high	41 Å²	41	45.1 Å²	45.1	16%	0.161	24%	0.236	C	C	.	.	H	α-helix	trans	-65.5	-38.6	173.2	-165.3	-90.5	0	0	0	112.3	T157 N160 N189 N194 A195 I199 W200 E201	T157-Y197 PolarHBondContact O-OH 3.45Å; T157-Y197 VanDerWaalsContact O-OH 3.12Å; N160-Y197 PolarHBondContact N-OH 2.98Å; N160-Y197 PolarHBondContact OD1-OH 3.01Å; N189-Y197 HydrophobicContact CB-CD1 3.48Å; N189-Y197 VanDerWaalsContact CB-CD1 3.48Å; N189-Y197 HydrophobicContact CB-CE1 4.02Å; N189-Y197 HydrophobicContact CB-CG 4.46Å; N194-Y197 VanDerWaalsContact CG-CB 3.42Å; N194-Y197 WeakPolarHBondContact ND2-CB 3.47Å; N194-Y197 PolarHBondContact O-N 2.91Å; N194-Y197 WeakPolarHBondContact OD1-CB 3.4Å; N194-Y197 PolarHBondContact OD1-N 3.01Å; N194-Y197 VanDerWaalsContact OD1-N 3.14Å; A195-Y197 VanDerWaalsContact C-N 3.29Å; A195-Y197 PolarHBondContact O-N 3.5Å; Y197-I199 VanDerWaalsContact C-N 3.29Å; Y197-I199 PolarHBondContact O-N 2.77Å; Y197-W200 HydrophobicContact CD1-CE3 4.34Å; Y197-W200 HydrophobicContact CD2-CE3 4.21Å; Y197-W200 HydrophobicContact CE1-CE3 4.04Å; Y197-W200 AromaticContact CE1-CZ3 3.94Å; Y197-W200 HydrophobicContact CE1-CZ3 3.94Å; Y197-W200 AromaticContact CE2-CE3 3.88Å; Y197-W200 HydrophobicContact CE2-CE3 3.88Å; Y197-W200 AromaticContact CE2-CZ3 3.93Å; Y197-W200 HydrophobicContact CE2-CZ3 3.93Å; Y197-W200 HydrophobicContact CG-CE3 4.45Å; Y197-W200 AromaticContact CZ-CE3 3.8Å; Y197-W200 AromaticContact CZ-CZ3 3.52Å; Y197-W200 WeakPolarHBondContact O-CB 3.31Å; Y197-W200 PolarHBondContact O-N 3.22Å; Y197-W200 VanDerWaalsContact O-N 3.16Å; Y197-W200 WeakPolarHBondContact OH-CZ3 3.33Å; Y197-E201 HydrophobicContact CD1-CG 3.77Å; Y197-E201 HydrophobicContact CE1-CG 3.7Å; Y197-E201 WeakPolarHBondContact O-CG 3.17Å; Y197-E201 PolarHBondContact O-N 2.85Å
198	R	97.3	Very high	94.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.5	-35.8	174	-72.4	-173.2	-76.5	-73.7	-1	112.1	L188 N189 D191 P192 A195 E201 Y202 M229 N230 F231	L188-R198 HydrophobicContact CB-CG 4.08Å; L188-R198 HydrophobicContact CD1-CB 4.45Å; N189-R198 HydrophobicContact CB-CG 4.25Å; N189-R198 PolarHBondContact O-NH1 2.95Å; D191-R198 PolarHBondContact O-NH1 3.15Å; D191-R198 PolarHBondContact O-NH2 3.3Å; P192-R198 PolarHBondContact O-NH2 3.36Å; A195-R198 WeakPolarHBondContact O-CB 3.4Å; A195-R198 PolarHBondContact O-N 3.07Å; R198-E201 PolarHBondContact O-N 3.2Å; R198-Y202 WeakPolarHBondContact O-CB 3.29Å; R198-Y202 PolarHBondContact O-N 3.09Å; R198-M229 WeakPolarHBondContact CD-O 3.26Å; R198-N230 PolarHBondContact NE-O 2.97Å; R198-F231 HydrophobicContact CB-CE1 3.83Å; R198-F231 HydrophobicContact CB-CZ 3.94Å
199	I	97.8	Very high	94.3	Very high	22 Å²	22	50 Å²	50	11%	0.113	26%	0.258	C	S	.	.	H	α-helix	trans	-63.1	-45	172.6	-60.8	168.1	0	0	0	110.1	A195 D196 Y197 E201 Y202 N203 L262 L267 A268	A195-I199 WeakPolarHBondContact O-CG1 3.15Å; A195-I199 PolarHBondContact O-N 2.08Å; D196-I199 WeakPolarHBondContact O-CB 3.44Å; D196-I199 PolarHBondContact O-N 3.09Å; Y197-I199 VanDerWaalsContact C-N 3.29Å; Y197-I199 PolarHBondContact O-N 2.77Å; I199-E201 PolarHBondContact O-N 3.36Å; I199-Y202 WeakPolarHBondContact O-CB 3.38Å; I199-Y202 PolarHBondContact O-N 3.47Å; I199-N203 PolarHBondContact O-N 2.98Å; I199-N203 PolarHBondContact O-ND2 2.76Å; I199-L262 HydrophobicContact CD1-CD1 4.21Å; I199-L262 HydrophobicContact CD1-CD2 3.67Å; I199-L262 HydrophobicContact CG1-CD1 4.05Å; I199-L262 HydrophobicContact CG1-CD2 4.36Å; I199-L267 HydrophobicContact CD1-CB 4.3Å; I199-A268 HydrophobicContact CG1-CB 4.19Å
200	W	96.3	Very high	93.5	Very high	98 Å²	98	53.7 Å²	53.7	37%	0.371	27%	0.269	S	S	.	.	H	α-helix	trans	-59.5	-45	174.2	172	83.1	0	0	0	112.1	D196 Y197 N203 L204	D196-W200 PolarHBondContact O-N 3.18Å; Y197-W200 HydrophobicContact CD1-CE3 4.34Å; Y197-W200 HydrophobicContact CD2-CE3 4.21Å; Y197-W200 HydrophobicContact CE1-CE3 4.04Å; Y197-W200 AromaticContact CE1-CZ3 3.94Å; Y197-W200 HydrophobicContact CE1-CZ3 3.94Å; Y197-W200 AromaticContact CE2-CE3 3.88Å; Y197-W200 HydrophobicContact CE2-CE3 3.88Å; Y197-W200 AromaticContact CE2-CZ3 3.93Å; Y197-W200 HydrophobicContact CE2-CZ3 3.93Å; Y197-W200 HydrophobicContact CG-CE3 4.45Å; Y197-W200 AromaticContact CZ-CE3 3.8Å; Y197-W200 AromaticContact CZ-CZ3 3.52Å; Y197-W200 WeakPolarHBondContact O-CB 3.31Å; Y197-W200 PolarHBondContact O-N 3.22Å; Y197-W200 VanDerWaalsContact O-N 3.16Å; Y197-W200 WeakPolarHBondContact OH-CZ3 3.33Å; W200-N203 PolarHBondContact O-N 3.46Å; W200-L204 HydrophobicContact CH2-CD2 3.51Å; W200-L204 HydrophobicContact CZ2-CD2 3.54Å; W200-L204 HydrophobicContact CZ3-CD2 4.14Å; W200-L204 VanDerWaalsContact O-CB 3.27Å; W200-L204 WeakPolarHBondContact O-CB 3.44Å; W200-L204 PolarHBondContact O-N 3.28Å
201	E	96.8	Very high	92.9	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-44.3	176.7	-67.8	-176.8	108.6	0	0	111.8	T157 L188 N189 Y197 R198 I199 N203 L204 I205	T157-E201 VanDerWaalsContact CB-OE1 3.24Å; T157-E201 WeakPolarHBondContact CB-OE1 3.21Å; T157-E201 HydrophobicContact CG2-CB 4.25Å; T157-E201 HydrophobicContact CG2-CG 4.13Å; T157-E201 PolarHBondContact OG1-OE1 3.13Å; L188-E201 WeakPolarHBondContact CB-OE2 3.44Å; L188-E201 HydrophobicContact CD2-CB 3.9Å; N189-E201 VanDerWaalsContact CB-OE2 3.27Å; N189-E201 WeakPolarHBondContact CB-OE2 3.22Å; N189-E201 PolarHBondContact N-OE2 2.86Å; Y197-E201 HydrophobicContact CD1-CG 3.77Å; Y197-E201 HydrophobicContact CE1-CG 3.7Å; Y197-E201 WeakPolarHBondContact O-CG 3.17Å; Y197-E201 PolarHBondContact O-N 2.85Å; R198-E201 PolarHBondContact O-N 3.2Å; I199-E201 PolarHBondContact O-N 3.36Å; E201-N203 PolarHBondContact O-N 3.48Å; E201-L204 PolarHBondContact O-N 2.95Å; E201-I205 WeakPolarHBondContact O-CB 3.32Å; E201-I205 WeakPolarHBondContact O-CD1 3.49Å; E201-I205 WeakPolarHBondContact O-CG1 3.29Å; E201-I205 PolarHBondContact O-N 3.42Å
202	Y	96.8	Very high	92.1	Very high	8 Å²	8	50.4 Å²	50.4	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-55.7	-49.3	174.1	161.5	-104.8	0	0	0	111.8	R198 I199 I205 T206 W225 A268 F269 Y272	R198-Y202 WeakPolarHBondContact O-CB 3.29Å; R198-Y202 PolarHBondContact O-N 3.09Å; I199-Y202 WeakPolarHBondContact O-CB 3.38Å; I199-Y202 PolarHBondContact O-N 3.47Å; Y202-I205 PolarHBondContact O-N 3.33Å; Y202-T206 WeakPolarHBondContact O-CB 3.25Å; Y202-T206 PolarHBondContact O-N 3.38Å; Y202-T206 PolarHBondContact O-OG1 3.38Å; Y202-W225 AromaticContact CD2-CH2 3.82Å; Y202-W225 HydrophobicContact CD2-CH2 3.82Å; Y202-W225 HydrophobicContact CD2-CZ2 4.27Å; Y202-W225 HydrophobicContact CD2-CZ3 4.16Å; Y202-W225 HydrophobicContact CE2-CH2 4.29Å; Y202-W225 HydrophobicContact CE2-CZ3 4.17Å; Y202-A268 HydrophobicContact CD1-CB 3.87Å; Y202-A268 HydrophobicContact CE1-CB 4.28Å; Y202-A268 HydrophobicContact CG-CB 4.32Å; Y202-F269 AromaticContact CD2-CD1 3.84Å; Y202-F269 HydrophobicContact CD2-CD1 3.84Å; Y202-F269 AromaticContact CD2-CD2 3.73Å; Y202-F269 HydrophobicContact CD2-CD2 3.73Å; Y202-F269 AromaticContact CD2-CE1 3.56Å; Y202-F269 HydrophobicContact CD2-CE1 3.56Å; Y202-F269 AromaticContact CD2-CE2 3.43Å; Y202-F269 HydrophobicContact CD2-CE2 3.43Å; Y202-F269 VanDerWaalsContact CD2-CE2 3.43Å; Y202-F269 AromaticContact CD2-CG 3.93Å; Y202-F269 HydrophobicContact CD2-CG 3.93Å; Y202-F269 AromaticContact CD2-CZ 3.35Å; Y202-F269 HydrophobicContact CD2-CZ 3.35Å; Y202-F269 AromaticContact CE2-CD1 3.67Å; Y202-F269 HydrophobicContact CE2-CD1 3.67Å; Y202-F269 HydrophobicContact CE2-CD2 4.09Å; Y202-F269 AromaticContact CE2-CE1 3.8Å; Y202-F269 HydrophobicContact CE2-CE1 3.8Å; Y202-F269 HydrophobicContact CE2-CE2 4.19Å; Y202-F269 AromaticContact CE2-CG 3.83Å; Y202-F269 HydrophobicContact CE2-CG 3.83Å; Y202-F269 HydrophobicContact CE2-CZ 4.07Å; Y202-F269 HydrophobicContact CG-CD2 4.06Å; Y202-F269 AromaticContact CG-CE2 3.77Å; Y202-F269 HydrophobicContact CG-CE2 3.77Å; Y202-F269 HydrophobicContact CG-CZ 4.1Å; Y202-Y272 AromaticContact CE2-CE2 3.99Å; Y202-Y272 HydrophobicContact CE2-CE2 3.99Å
203	N	95.1	Very high	90.7	Very high	83 Å²	83	56 Å²	56	44%	0.444	28%	0.28	S	S	.	.	H	α-helix	trans	-64.5	-44.7	179.3	-72.2	-30.7	0	0	0	111.5	I199 W200 E201 I205 T206 E207	I199-N203 PolarHBondContact O-N 2.98Å; I199-N203 PolarHBondContact O-ND2 2.76Å; W200-N203 PolarHBondContact O-N 3.46Å; E201-N203 PolarHBondContact O-N 3.48Å; N203-I205 PolarHBondContact O-N 3.39Å; N203-T206 PolarHBondContact O-N 3.39Å; N203-E207 WeakPolarHBondContact O-CB 3.43Å; N203-E207 PolarHBondContact O-N 3.17Å
204	L	93.7	Very high	89.2	Confident	18 Å²	18	49.8 Å²	49.8	9%	0.094	25%	0.249	C	C	.	.	H	α-helix	trans	-62.8	-43.3	178.6	-177.4	64.3	0	0	0	111.9	T157 W200 E201 E207 K208	T157-L204 HydrophobicContact CG2-CD2 4.03Å; W200-L204 HydrophobicContact CH2-CD2 3.51Å; W200-L204 HydrophobicContact CZ2-CD2 3.54Å; W200-L204 HydrophobicContact CZ3-CD2 4.14Å; W200-L204 VanDerWaalsContact O-CB 3.27Å; W200-L204 WeakPolarHBondContact O-CB 3.44Å; W200-L204 PolarHBondContact O-N 3.28Å; E201-L204 PolarHBondContact O-N 2.95Å; L204-E207 PolarHBondContact O-N 2.81Å; L204-K208 HydrophobicContact CD1-CD 3.64Å; L204-K208 VanDerWaalsContact CD1-CE 3.42Å; L204-K208 HydrophobicContact CD1-CG 4.02Å; L204-K208 HydrophobicContact CG-CD 4.02Å; L204-K208 VanDerWaalsContact O-CB 3.26Å; L204-K208 WeakPolarHBondContact O-CB 3Å; L204-K208 WeakPolarHBondContact O-CG 3.3Å; L204-K208 PolarHBondContact O-N 3.3Å
205	I	94.8	Very high	87.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.2	-47.4	176.7	-68	159.7	0	0	0	109.5	V155 T157 A168 V184 L188 E201 Y202 N203 E207 K208 C209 W225	V155-I205 HydrophobicContact CB-CG1 4.36Å; V155-I205 HydrophobicContact CG1-CG1 4.03Å; T157-I205 HydrophobicContact CG2-CD1 4.24Å; T157-I205 HydrophobicContact CG2-CG1 4.06Å; A168-I205 HydrophobicContact CB-CD1 3.91Å; A168-I205 HydrophobicContact CB-CG1 4.03Å; A168-I205 HydrophobicContact CB-CG2 3.63Å; V184-I205 HydrophobicContact CG1-CG2 4.08Å; L188-I205 HydrophobicContact CD2-CD1 3.74Å; E201-I205 WeakPolarHBondContact O-CB 3.32Å; E201-I205 WeakPolarHBondContact O-CD1 3.49Å; E201-I205 WeakPolarHBondContact O-CG1 3.29Å; E201-I205 PolarHBondContact O-N 3.42Å; Y202-I205 PolarHBondContact O-N 3.33Å; N203-I205 PolarHBondContact O-N 3.39Å; I205-E207 VanDerWaalsContact C-N 3.29Å; I205-E207 PolarHBondContact O-N 3.18Å; I205-K208 PolarHBondContact O-N 3.47Å; I205-C209 WeakPolarHBondContact O-CB 3.01Å; I205-C209 PolarHBondContact O-N 3.19Å; I205-W225 HydrophobicContact CB-CH2 3.63Å; I205-W225 HydrophobicContact CB-CZ2 3.88Å; I205-W225 HydrophobicContact CD1-CZ2 4.06Å; I205-W225 HydrophobicContact CG2-CH2 3.3Å; I205-W225 HydrophobicContact CG2-CZ2 3.51Å; I205-W225 HydrophobicContact CG2-CZ3 4.14Å
206	T	93	Very high	86.4	Confident	27 Å²	27	59.9 Å²	59.9	17%	0.166	29%	0.291	C	S	.	.	H	α-helix	trans	-54	-48.5	176.3	-61	0	0	0	0	110.5	Y202 N203 P217	Y202-T206 WeakPolarHBondContact O-CB 3.25Å; Y202-T206 PolarHBondContact O-N 3.38Å; Y202-T206 PolarHBondContact O-OG1 3.38Å; N203-T206 PolarHBondContact O-N 3.39Å; T206-P217 HydrophobicContact CG2-CB 3.74Å; T206-P217 HydrophobicContact CG2-CG 4.12Å; T206-P217 WeakPolarHBondContact O-CB 3.41Å; T206-P217 WeakPolarHBondContact O-CG 3.49Å
207	E	89.5	Confident	84.5	Confident	102 Å²	102	55 Å²	55	48%	0.477	27%	0.266	S	S	.	.	H	α-helix	trans	-66.7	-43.9	179.9	-168.2	-161.3	163.7	0	0	113.3	N203 L204 I205 R210	N203-E207 WeakPolarHBondContact O-CB 3.43Å; N203-E207 PolarHBondContact O-N 3.17Å; L204-E207 PolarHBondContact O-N 2.81Å; I205-E207 VanDerWaalsContact C-N 3.29Å; I205-E207 PolarHBondContact O-N 3.18Å; E207-R210 WeakPolarHBondContact O-CG 3.46Å; E207-R210 PolarHBondContact O-NE 2.83Å; E207-R210 IonicContact OE1-NH2 3.31Å
208	K	89.6	Confident	83	Confident	99 Å²	99	54.5 Å²	54.5	43%	0.43	27%	0.274	S	S	.	.	H	α-helix	trans	-83.9	-21	-173.8	-73.7	-173.5	171.9	173.6	0	113.3	K153 V155 L204 I205 R210	K153-K208 VanDerWaalsContact CD-O 3.26Å; K153-K208 WeakPolarHBondContact CD-O 3.29Å; K153-K208 WeakPolarHBondContact CE-O 3.27Å; K153-K208 PolarHBondContact NZ-O 2.81Å; V155-K208 HydrophobicContact CB-CB 4.46Å; V155-K208 HydrophobicContact CG1-CB 3.85Å; V155-K208 HydrophobicContact CG1-CD 3.97Å; V155-K208 HydrophobicContact CG1-CG 4.49Å; V155-K208 HydrophobicContact CG2-CB 3.71Å; L204-K208 HydrophobicContact CD1-CD 3.64Å; L204-K208 VanDerWaalsContact CD1-CE 3.42Å; L204-K208 HydrophobicContact CD1-CG 4.02Å; L204-K208 HydrophobicContact CG-CD 4.02Å; L204-K208 VanDerWaalsContact O-CB 3.26Å; L204-K208 WeakPolarHBondContact O-CB 3Å; L204-K208 WeakPolarHBondContact O-CG 3.3Å; L204-K208 PolarHBondContact O-N 3.3Å; I205-K208 PolarHBondContact O-N 3.47Å; K208-R210 PolarHBondContact O-N 2.84Å
209	C	86.6	Confident	82.2	Confident	6 Å²	6	57 Å²	57	4%	0.041	29%	0.287	C	S	.	.			trans	-73.7	43.9	176.2	-166	0	0	0	0	112.3	C170 I205 Y220	C170-C209 HydrophobicContact CB-CB 4.25Å; C170-C209 WeakPolarHBondContact CB-SG 3.39Å; C170-C209 WeakPolarHBondContact SG-CB 3.47Å; C170-C209 CovalentContact SG-SG 2.04Å; C170-C209 PolarHBondContact SG-SG 3.28Å; I205-C209 WeakPolarHBondContact O-CB 3.01Å; I205-C209 PolarHBondContact O-N 3.19Å; C209-Y220 PolarHBondContact O-OH 3.15Å
210	R	79.4	Confident	81.9	Confident	108 Å²	108	56.1 Å²	56.1	41%	0.408	28%	0.283	S	S	.	.			trans	-83.6	106.4	169.8	-62	177.2	-156.9	-173.7	2.2	109.7	K153 E207 K208 Y220	K153-R210 VanDerWaalsContact CD-O 3.28Å; K153-R210 WeakPolarHBondContact CD-O 3.43Å; K153-R210 PolarHBondContact NZ-O 3.27Å; E207-R210 WeakPolarHBondContact O-CG 3.46Å; E207-R210 PolarHBondContact O-NE 2.83Å; E207-R210 IonicContact OE1-NH2 3.31Å; K208-R210 PolarHBondContact O-N 2.84Å; R210-Y220 WeakPolarHBondContact CA-OH 3.32Å
211	L	80.2	Confident	81.8	Confident	8 Å²	8	51.4 Å²	51.4	4%	0.042	27%	0.265	C	S	.	.			trans	-108.3	135.5	176.1	-70.7	165.6	0	0	0	107.5	E151 K153 C170 K172 V182 Y220	E151-L211 HydrophobicContact CB-CD2 4.02Å; K153-L211 HydrophobicContact CB-CD2 3.5Å; K153-L211 VanDerWaalsContact CB-CD2 3.5Å; K153-L211 HydrophobicContact CB-CG 4.25Å; C170-L211 HydrophobicContact CB-CD1 3.94Å; K172-L211 HydrophobicContact CB-CB 4.1Å; K172-L211 HydrophobicContact CB-CD1 3.53Å; K172-L211 HydrophobicContact CB-CG 4.35Å; K172-L211 HydrophobicContact CD-CB 3.95Å; V182-L211 HydrophobicContact CG1-CD1 4.36Å; L211-Y220 PolarHBondContact N-OH 2.98Å
212	S	76.8	Confident	81.8	Confident	46 Å²	46	51.4 Å²	51.4	32%	0.322	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	-164.4	-170.2	61.7	0	0	0	0	113.8	E151 K172 A214	E151-S212 WeakPolarHBondContact OE1-CB 3.33Å; E151-S212 WeakPolarHBondContact OE2-CB 3.13Å; E151-S212 PolarHBondContact OE2-N 3.21Å; K172-S212 PolarHBondContact NZ-OG 3.13Å; S212-A214 PolarHBondContact O-N 2.89Å
213	D	62.6	Low	81.8	Confident	162 Å²	162	51.2 Å²	51.2	87%	0.866	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	20.3	-175.7	-54.1	-40	0	0	0	114.6	K215	D213-K215 PolarHBondContact O-N 2.87Å; D213-K215 VanDerWaalsContact O-N 3.09Å
214	A	64.9	Low	81.9	Confident	16 Å²	16	47.2 Å²	47.2	13%	0.132	24%	0.243	C	C	.	.			trans	-57.9	117.3	172.9	0	0	0	0	0	109	S212 L216 D219 Y220	S212-A214 PolarHBondContact O-N 2.89Å; A214-L216 VanDerWaalsContact C-N 3.35Å; A214-D219 HydrophobicContact CB-CB 4.09Å; A214-Y220 HydrophobicContact CB-CE1 3.84Å
215	K	65.1	Low	82.2	Confident	177 Å²	177	46.5 Å²	46.5	77%	0.77	24%	0.239	S	C	*	.	S	Bend	trans	-72.8	-37.3	-179.9	-67.9	-177.5	179.5	178.2	0	109.8	D213 D219	D213-K215 PolarHBondContact O-N 2.87Å; D213-K215 VanDerWaalsContact O-N 3.09Å; K215-D219 PolarHBondContact N-OD2 3.18Å
216	L	65.2	Low	82.4	Confident	109 Å²	109	46.5 Å²	46.5	57%	0.571	24%	0.239	S	C	*	.	S	Bend	trans	-126.5	149.3	178.8	-60.4	173.4	0	0	0	110.7	A214 G218 D219	A214-L216 VanDerWaalsContact C-N 3.35Å; L216-G218 PolarHBondContact O-N 3.15Å; L216-G218 VanDerWaalsContact O-N 3.13Å; L216-D219 PolarHBondContact N-OD2 2.94Å; L216-D219 VanDerWaalsContact O-CB 3.22Å; L216-D219 WeakPolarHBondContact O-CB 3.43Å; L216-D219 PolarHBondContact O-N 3.01Å
217	P	57.1	Low	82.6	Confident	23 Å²	23	45.2 Å²	45.2	15%	0.149	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-56.6	-25.7	170.6	-24.6	35	0	0	0	113.5	T206 D219 Y220 R307	T206-P217 HydrophobicContact CG2-CB 3.74Å; T206-P217 HydrophobicContact CG2-CG 4.12Å; T206-P217 WeakPolarHBondContact O-CB 3.41Å; T206-P217 WeakPolarHBondContact O-CG 3.49Å; P217-D219 PolarHBondContact O-N 3.37Å; P217-Y220 WeakPolarHBondContact O-CD2 3.37Å; P217-R307 PolarHBondContact O-NH2 3.34Å
218	G	64.8	Low	83.1	Confident	32 Å²	32	40.4 Å²	40.4	33%	0.33	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-67.4	-8.9	174.1	0	0	0	0	0	114.7	L216 Y220 R313	L216-G218 PolarHBondContact O-N 3.15Å; L216-G218 VanDerWaalsContact O-N 3.13Å; G218-Y220 PolarHBondContact O-N 3.18Å; G218-R313 PolarHBondContact O-NH2 2.7Å
219	D	80.6	Confident	83.5	Confident	51 Å²	51	35.7 Å²	35.7	27%	0.273	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-82.8	10.6	-172.3	-61.5	-14.5	0	0	0	114.2	A214 K215 L216 P217	A214-D219 HydrophobicContact CB-CB 4.09Å; K215-D219 PolarHBondContact N-OD2 3.18Å; L216-D219 PolarHBondContact N-OD2 2.94Å; L216-D219 VanDerWaalsContact O-CB 3.22Å; L216-D219 WeakPolarHBondContact O-CB 3.43Å; L216-D219 PolarHBondContact O-N 3.01Å; P217-D219 PolarHBondContact O-N 3.37Å
220	Y	91	Very high	84	Confident	4 Å²	4	35.6 Å²	35.6	2%	0.016	19%	0.187	C	C	.	.			trans	-93.2	143.7	176.2	-54.6	-49.2	0	0	0	112	K172 N180 V182 C209 R210 L211 A214 P217 G218 V223	K172-Y220 HydrophobicContact CD-CD1 4.45Å; K172-Y220 HydrophobicContact CD-CE1 4.16Å; N180-Y220 WeakPolarHBondContact OD1-CA 3.19Å; N180-Y220 WeakPolarHBondContact OD1-CB 3.3Å; N180-Y220 WeakPolarHBondContact OD1-CD1 3.46Å; V182-Y220 HydrophobicContact CB-CD2 4.28Å; V182-Y220 HydrophobicContact CB-CG 4.42Å; V182-Y220 HydrophobicContact CG2-CD1 3.62Å; V182-Y220 HydrophobicContact CG2-CD2 3.66Å; V182-Y220 HydrophobicContact CG2-CE1 3.98Å; V182-Y220 HydrophobicContact CG2-CE2 4Å; V182-Y220 HydrophobicContact CG2-CG 3.45Å; V182-Y220 VanDerWaalsContact CG2-CG 3.45Å; C209-Y220 PolarHBondContact O-OH 3.15Å; R210-Y220 WeakPolarHBondContact CA-OH 3.32Å; L211-Y220 PolarHBondContact N-OH 2.98Å; A214-Y220 HydrophobicContact CB-CE1 3.84Å; P217-Y220 WeakPolarHBondContact O-CD2 3.37Å; G218-Y220 PolarHBondContact O-N 3.18Å; Y220-V223 HydrophobicContact CD2-CG2 3.79Å; Y220-V223 HydrophobicContact CG-CG2 4.27Å
221	D	94.5	Very high	84.9	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-67.4	-46	175.6	-63.8	-50.2	0	0	0	110	V179 N180 K308 A309 S312 R313 L320	V179-D221 WeakPolarHBondContact CA-OD2 3.31Å; V179-D221 HydrophobicContact CG1-CB 4.26Å; N180-D221 PolarHBondContact N-OD2 3.25Å; N180-D221 PolarHBondContact ND2-OD2 3.11Å; N180-D221 WeakPolarHBondContact O-CB 3.43Å; N180-D221 PolarHBondContact OD1-N 2.64Å; D221-K308 CarbonylContact O-C 3.57Å; D221-K308 WeakPolarHBondContact O-CA 3.35Å; D221-A309 PolarHBondContact O-N 2.74Å; D221-S312 WeakPolarHBondContact OD1-CA 3.5Å; D221-R313 WeakPolarHBondContact OD1-CG 3.19Å; D221-R313 PolarHBondContact OD1-N 3.17Å; D221-L320 HydrophobicContact CB-CD1 3.61Å
222	Y	96.5	Very high	85.7	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	140	176.7	-62.4	-66.1	0	0	0	112	V179 N180 V181 V182 K308 L320 E321 I322 I347 T348	V179-Y222 HydrophobicContact CG1-CD2 3.68Å; V179-Y222 HydrophobicContact CG1-CE2 3.49Å; V179-Y222 VanDerWaalsContact CG1-CE2 3.49Å; N180-Y222 PolarHBondContact O-N 2.71Å; V181-Y222 HydrophobicContact CG2-CD2 4.01Å; V182-Y222 PolarHBondContact N-O 2.83Å; Y222-K308 HydrophobicContact CD1-CB 3.64Å; Y222-K308 HydrophobicContact CE1-CB 3.66Å; Y222-L320 HydrophobicContact CE1-CB 3.96Å; Y222-L320 HydrophobicContact CE2-CD2 3.91Å; Y222-L320 WeakPolarHBondContact OH-CA 3.34Å; Y222-L320 WeakPolarHBondContact OH-CB 3.36Å; Y222-E321 PolarHBondContact OH-N 2.86Å; Y222-E321 PolarHBondContact OH-O 3.07Å; Y222-I322 HydrophobicContact CD1-CD1 3.67Å; Y222-I322 HydrophobicContact CD1-CG1 3.8Å; Y222-I322 HydrophobicContact CE1-CD1 3.96Å; Y222-I322 HydrophobicContact CE1-CG1 3.53Å; Y222-I347 HydrophobicContact CE1-CB 4.47Å; Y222-I347 HydrophobicContact CE2-CB 4.31Å; Y222-T348 WeakPolarHBondContact CE2-O 3.33Å; Y222-T348 PolarHBondContact OH-N 3.12Å; Y222-T348 PolarHBondContact OH-O 3.38Å; Y222-T348 PolarHBondContact OH-OG1 2.89Å
223	V	96.4	Very high	86.7	Confident	4 Å²	4	28.8 Å²	28.8	2%	0.024	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	119.1	166.5	-172.9	0	0	0	0	109.3	V182 V184 Y220 Y272 Y306 R307	V182-V223 HydrophobicContact CB-CG1 4.45Å; V182-V223 HydrophobicContact CB-CG2 4.22Å; V182-V223 HydrophobicContact CG1-CG1 4.48Å; V182-V223 CarbonylContact O-C 3.57Å; V182-V223 WeakPolarHBondContact O-CA 2.92Å; V184-V223 HydrophobicContact CG2-CG1 3.99Å; Y220-V223 HydrophobicContact CD2-CG2 3.79Å; Y220-V223 HydrophobicContact CG-CG2 4.27Å; V223-Y272 HydrophobicContact CB-CE1 4.12Å; V223-Y272 HydrophobicContact CG1-CE1 3.9Å; V223-Y306 CarbonylContact O-C 3.59Å; V223-Y306 VanDerWaalsContact O-CA 3.25Å; V223-Y306 WeakPolarHBondContact O-CA 3.18Å; V223-R307 HydrophobicContact CB-CG 3.89Å; V223-R307 HydrophobicContact CG2-CG 4.32Å; V223-R307 VanDerWaalsContact CG2-NH2 3.28Å; V223-R307 PolarHBondContact N-O 2.91Å; V223-R307 PolarHBondContact O-N 3.49Å
224	L	98.3	Very high	88.1	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	107.3	175	-46.7	-176.4	0	0	0	107.5	T44 I46 V181 V182 L183 V184 I322 L345	T44-L224 HydrophobicContact CG2-CD1 4.22Å; I46-L224 HydrophobicContact CD1-CD1 3.87Å; I46-L224 HydrophobicContact CG1-CD1 4.22Å; V181-L224 HydrophobicContact CG1-CD1 4.01Å; V181-L224 HydrophobicContact CG1-CG 4.21Å; V182-L224 PolarHBondContact O-N 2.86Å; L183-L224 WeakPolarHBondContact CA-O 3.18Å; L183-L224 HydrophobicContact CD2-CB 4.1Å; L183-L224 HydrophobicContact CD2-CD1 3.86Å; L183-L224 HydrophobicContact CD2-CG 4.3Å; V184-L224 PolarHBondContact N-O 2.86Å; L224-I322 HydrophobicContact CD2-CD1 4.31Å; L224-L345 HydrophobicContact CD1-CD1 4.21Å; L224-L345 HydrophobicContact CD2-CD1 3.88Å
225	W	98.6	Very high	89.4	Confident	3 Å²	3	32.8 Å²	32.8	1%	0.011	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	121.2	-176.1	-163.4	-40.3	0	0	0	110.4	V184 S186 Y202 I205 M229 F269 Y272 L305	V184-W225 HydrophobicContact CB-CB 4.23Å; V184-W225 HydrophobicContact CB-CD2 3.86Å; V184-W225 HydrophobicContact CB-CE3 4.2Å; V184-W225 HydrophobicContact CB-CG 3.84Å; V184-W225 HydrophobicContact CG1-CD2 3.64Å; V184-W225 HydrophobicContact CG1-CE3 4.06Å; V184-W225 HydrophobicContact CG1-CG 4Å; V184-W225 HydrophobicContact CG1-CH2 4.45Å; V184-W225 HydrophobicContact CG1-CZ2 4.03Å; V184-W225 HydrophobicContact CG1-CZ3 4.44Å; V184-W225 HydrophobicContact CG2-CD2 4.39Å; V184-W225 HydrophobicContact CG2-CE3 4.23Å; S186-W225 PolarHBondContact OG-NE1 3.24Å; Y202-W225 AromaticContact CD2-CH2 3.82Å; Y202-W225 HydrophobicContact CD2-CH2 3.82Å; Y202-W225 HydrophobicContact CD2-CZ2 4.27Å; Y202-W225 HydrophobicContact CD2-CZ3 4.16Å; Y202-W225 HydrophobicContact CE2-CH2 4.29Å; Y202-W225 HydrophobicContact CE2-CZ3 4.17Å; I205-W225 HydrophobicContact CB-CH2 3.63Å; I205-W225 HydrophobicContact CB-CZ2 3.88Å; I205-W225 HydrophobicContact CD1-CZ2 4.06Å; I205-W225 HydrophobicContact CG2-CH2 3.3Å; I205-W225 HydrophobicContact CG2-CZ2 3.51Å; I205-W225 HydrophobicContact CG2-CZ3 4.14Å; W225-M229 HydrophobicContact CG-CE 4.13Å; W225-F269 AromaticContact CD2-CE1 3.71Å; W225-F269 HydrophobicContact CD2-CE1 3.71Å; W225-F269 HydrophobicContact CD2-CZ 4.36Å; W225-F269 AromaticContact CE2-CE1 3.75Å; W225-F269 AromaticContact CE2-CZ 3.92Å; W225-F269 HydrophobicContact CE3-CE1 4.18Å; W225-F269 AromaticContact CG-CE1 3.92Å; W225-F269 HydrophobicContact CG-CE1 3.92Å; W225-F269 HydrophobicContact CZ2-CE1 4.21Å; W225-F269 HydrophobicContact CZ2-CZ 4.09Å; W225-F269 AromaticContact NE1-CE1 4Å; W225-Y272 HydrophobicContact CB-CD1 4.41Å; W225-Y272 HydrophobicContact CB-CE1 4.05Å; W225-Y272 HydrophobicContact CE3-CE1 4.18Å; W225-Y272 AromaticContact CE3-CZ 3.84Å; W225-L305 PolarHBondContact N-O 3.07Å; W225-L305 PolarHBondContact O-N 2.88Å; W225-L305 VanDerWaalsContact O-O 3.05Å
226	F	98.9	Very high	90.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	167.6	-177.3	55.2	-81.1	0	0	0	111.5	I46 V80 L135 L183 V184 N185 S186 R303 V304	I46-F226 HydrophobicContact CG2-CB 3.83Å; I46-F226 HydrophobicContact CG2-CD1 3.43Å; I46-F226 VanDerWaalsContact CG2-CD1 3.43Å; I46-F226 HydrophobicContact CG2-CD2 3.78Å; I46-F226 HydrophobicContact CG2-CE1 3.89Å; I46-F226 HydrophobicContact CG2-CE2 4.16Å; I46-F226 HydrophobicContact CG2-CG 3.39Å; I46-F226 HydrophobicContact CG2-CZ 4.23Å; V80-F226 HydrophobicContact CG1-CE1 4.19Å; V80-F226 HydrophobicContact CG1-CE2 4.16Å; V80-F226 HydrophobicContact CG1-CZ 3.48Å; V80-F226 VanDerWaalsContact CG1-CZ 3.48Å; L135-F226 HydrophobicContact CD1-CE2 4.13Å; L135-F226 HydrophobicContact CD1-CZ 3.71Å; L183-F226 HydrophobicContact CB-CE1 4.18Å; L183-F226 HydrophobicContact CB-CZ 4.48Å; V184-F226 PolarHBondContact O-N 2.88Å; N185-F226 CarbonylContact C-O 3.58Å; N185-F226 WeakPolarHBondContact CA-O 3.1Å; N185-F226 HydrophobicContact CB-CD2 4.41Å; N185-F226 HydrophobicContact CB-CE2 3.82Å; N185-F226 HydrophobicContact CB-CZ 4.11Å; S186-F226 PolarHBondContact N-O 2.68Å; F226-R303 WeakPolarHBondContact CA-O 3.41Å; F226-R303 WeakPolarHBondContact CB-O 3.29Å; F226-V304 HydrophobicContact CB-CB 4.36Å; F226-V304 HydrophobicContact CB-CG1 4.32Å; F226-V304 HydrophobicContact CB-CG2 3.97Å
227	G	98.7	Very high	92.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140.8	177.9	-179.5	0	0	0	0	0	113.5	T48 S186 M229 D302 R303	T48-G227 WeakPolarHBondContact OG1-CA 3.12Å; T48-G227 PolarHBondContact OG1-N 2.94Å; S186-G227 CarbonylContact O-C 3.56Å; S186-G227 WeakPolarHBondContact O-CA 3.38Å; G227-M229 PolarHBondContact O-N 2.81Å; G227-M229 VanDerWaalsContact O-N 3.09Å; G227-D302 WeakPolarHBondContact O-CA 3.31Å; G227-R303 PolarHBondContact N-O 3.01Å; G227-R303 PolarHBondContact O-N 3.2Å; G227-R303 VanDerWaalsContact O-N 3.12Å
228	D	98.5	Very high	94.1	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	89.5	164.9	179.9	7.4	0	0	0	109.6	N50 Q84 S186 H187 L188 N230 C301 H338	N50-D228 HydrophobicContact CB-CB 4.25Å; N50-D228 PolarHBondContact ND2-OD2 3.3Å; Q84-D228 HydrophobicContact CB-CB 4.4Å; Q84-D228 HydrophobicContact CG-CB 4.12Å; S186-D228 PolarHBondContact O-N 3.31Å; H187-D228 VanDerWaalsContact CA-O 3.29Å; H187-D228 WeakPolarHBondContact CA-O 3.49Å; H187-D228 IonicContact CD2-OD2 3.86Å; H187-D228 IonicContact NE2-OD2 3.14Å; H187-D228 PolarHBondContact NE2-OD2 3.44Å; L188-D228 PolarHBondContact N-O 2.75Å; D228-N230 VanDerWaalsContact CG-ND2 3.32Å; D228-N230 PolarHBondContact O-N 2.95Å; D228-N230 PolarHBondContact OD1-N 3.14Å; D228-N230 PolarHBondContact OD1-ND2 3.37Å; D228-N230 VanDerWaalsContact OD1-ND2 3.16Å; D228-N230 PolarHBondContact OD1-OD1 3.46Å; D228-N230 PolarHBondContact OD2-ND2 2.98Å; D228-N230 VanDerWaalsContact OD2-ND2 3.1Å; D228-C301 WeakPolarHBondContact OD1-CB 3.37Å; D228-H338 IonicContact OD2-CE1 3.69Å
229	M	98.3	Very high	95.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.			trans	-81.9	-6.1	179.6	-60.4	-174.3	-168.3	0	0	112.5	L188 R198 W225 G227 F231 L259 F269 C301 R303 L305	L188-M229 WeakPolarHBondContact CB-O 3.18Å; L188-M229 HydrophobicContact CD1-CB 4.01Å; L188-M229 HydrophobicContact CD1-CG 4.34Å; L188-M229 HydrophobicContact CG-CB 4.44Å; R198-M229 WeakPolarHBondContact CD-O 3.26Å; W225-M229 HydrophobicContact CG-CE 4.13Å; G227-M229 PolarHBondContact O-N 2.81Å; G227-M229 VanDerWaalsContact O-N 3.09Å; M229-F231 HydrophobicContact CB-CD2 3.57Å; M229-F231 HydrophobicContact CB-CE2 3.78Å; M229-F231 PolarHBondContact O-N 2.87Å; M229-F231 HydrophobicContact SD-CE2 4.41Å; M229-L259 HydrophobicContact SD-CD2 4.42Å; M229-F269 HydrophobicContact CE-CE1 4.34Å; M229-F269 HydrophobicContact CE-CZ 4.47Å; M229-F269 HydrophobicContact SD-CE1 4.16Å; M229-F269 HydrophobicContact SD-CE2 4.37Å; M229-F269 HydrophobicContact SD-CZ 3.85Å; M229-C301 PolarHBondContact N-O 2.82Å; M229-R303 HydrophobicContact CE-CB 4.29Å; M229-R303 HydrophobicContact SD-CB 4.11Å; M229-L305 HydrophobicContact CE-CD1 3.71Å; M229-L305 HydrophobicContact SD-CD1 3.88Å
230	N	97.6	Very high	96.5	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.016	15%	0.154	C	C	.	.			trans	53.6	23.2	175.4	-87.7	-62.2	0	0	0	115.6	H187 L188 N189 R198 D228 R232 C301	H187-N230 PolarHBondContact NE2-ND2 2.76Å; L188-N230 PolarHBondContact O-ND2 2.97Å; N189-N230 WeakPolarHBondContact O-CB 3.36Å; R198-N230 PolarHBondContact NE-O 2.97Å; D228-N230 VanDerWaalsContact CG-ND2 3.32Å; D228-N230 PolarHBondContact O-N 2.95Å; D228-N230 PolarHBondContact OD1-N 3.14Å; D228-N230 PolarHBondContact OD1-ND2 3.37Å; D228-N230 VanDerWaalsContact OD1-ND2 3.16Å; D228-N230 PolarHBondContact OD1-OD1 3.46Å; D228-N230 PolarHBondContact OD2-ND2 2.98Å; D228-N230 VanDerWaalsContact OD2-ND2 3.1Å; N230-R232 PolarHBondContact OD1-NH2 2.82Å; N230-C301 PolarHBondContact N-O 3.31Å
231	F	98.1	Very high	96.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.153	C	C	.	.			trans	-72.4	135.3	167.2	-67.2	-73.5	0	0	0	109.5	L188 R198 M229 Q258 L259 L262 F269	L188-F231 HydrophobicContact CD1-CE2 4.21Å; L188-F231 HydrophobicContact CD1-CZ 4.49Å; R198-F231 HydrophobicContact CB-CE1 3.83Å; R198-F231 HydrophobicContact CB-CZ 3.94Å; M229-F231 HydrophobicContact CB-CD2 3.57Å; M229-F231 HydrophobicContact CB-CE2 3.78Å; M229-F231 PolarHBondContact O-N 2.87Å; M229-F231 HydrophobicContact SD-CE2 4.41Å; F231-Q258 HydrophobicContact CB-CB 4.21Å; F231-Q258 HydrophobicContact CD1-CB 3.97Å; F231-L259 HydrophobicContact CB-CB 3.75Å; F231-L259 HydrophobicContact CD1-CB 4.19Å; F231-L259 HydrophobicContact CD2-CB 3.73Å; F231-L259 HydrophobicContact CD2-CD1 3.91Å; F231-L259 HydrophobicContact CD2-CD2 3.94Å; F231-L259 HydrophobicContact CD2-CG 4.06Å; F231-L259 HydrophobicContact CE2-CB 4.37Å; F231-L259 HydrophobicContact CE2-CD1 3.68Å; F231-L259 HydrophobicContact CE2-CD2 4.31Å; F231-L259 HydrophobicContact CE2-CG 4.34Å; F231-L259 HydrophobicContact CG-CB 3.63Å; F231-L259 HydrophobicContact CG-CD1 4.43Å; F231-L259 HydrophobicContact CG-CG 4.44Å; F231-L259 HydrophobicContact CZ-CD1 4.02Å; F231-L262 HydrophobicContact CD1-CD1 4.07Å; F231-L262 HydrophobicContact CE1-CD1 3.53Å; F231-L262 HydrophobicContact CZ-CD1 4.43Å; F231-F269 HydrophobicContact CE2-CD2 4.34Å; F231-F269 AromaticContact CE2-CE2 3.87Å; F231-F269 HydrophobicContact CE2-CE2 3.87Å; F231-F269 HydrophobicContact CZ-CD2 4.42Å; F231-F269 HydrophobicContact CZ-CE2 4.06Å
232	R	97.1	Very high	97	Very high	14 Å²	14	32.4 Å²	32.4	5%	0.053	16%	0.164	C	C	.	.			trans	-113.6	149.2	-170.7	-55.4	-59	-179.3	98.1	-10.7	111.6	P190 P192 N230 Q258 Y283 C301	P190-R232 PolarHBondContact O-NH2 3.04Å; P192-R232 HydrophobicContact CB-CB 4.44Å; P192-R232 HydrophobicContact CB-CG 3.96Å; N230-R232 PolarHBondContact OD1-NH2 2.82Å; R232-Q258 VanDerWaalsContact O-CG 3.23Å; R232-Q258 WeakPolarHBondContact O-CG 3.39Å; R232-Q258 PolarHBondContact O-N 3.01Å; R232-Y283 VanDerWaalsContact NH1-CE1 3.31Å; R232-C301 VanDerWaalsContact CD-SG 3.59Å; R232-C301 PolarHBondContact NE-SG 2.93Å; R232-C301 VanDerWaalsContact NE-SG 3.44Å
233	V	97.4	Very high	97	Very high	6 Å²	6	36.5 Å²	36.5	4%	0.036	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-66.5	131.1	156.6	176.3	0	0	0	0	106.6	V236 L253 Y256 L297 S299 Y300	V233-V236 HydrophobicContact CG1-CG1 3.67Å; V233-L253 HydrophobicContact CG1-CD1 3.85Å; V233-L253 HydrophobicContact CG1-CG 4.37Å; V233-L253 HydrophobicContact CG2-CG 4.21Å; V233-Y256 WeakPolarHBondContact CA-O 3.05Å; V233-L297 HydrophobicContact CB-CD2 4.09Å; V233-L297 HydrophobicContact CG1-CD2 3.69Å; V233-S299 PolarHBondContact N-OG 3.06Å; V233-Y300 HydrophobicContact CG2-CD2 4.17Å; V233-Y300 HydrophobicContact CG2-CE2 4.37Å
234	H	92.2	Very high	97.1	Very high	42 Å²	42	37.2 Å²	37.2	19%	0.194	19%	0.19	C	C	.	.			trans	-149.4	163.5	-172.5	79.9	-38	0	0	0	111.6	V236 Y256 Q258 I261	H234-V236 PolarHBondContact O-N 3.14Å; H234-Y256 PolarHBondContact N-O 2.86Å; H234-Y256 PolarHBondContact ND1-O 3.14Å; H234-Y256 WeakPolarHBondContact O-CB 3.28Å; H234-Q258 HydrophobicContact CB-CG 4.43Å; H234-I261 VanDerWaalsContact CE1-CD1 3.48Å; H234-I261 WeakPolarHBondContact CE1-CD1 2.93Å
235	R	91.7	Very high	97.1	Very high	219 Å²	219	37.7 Å²	37.7	83%	0.826	19%	0.192	S	C	*	.	S	Bend	trans	59	31.8	178	-58.8	175.6	178.9	-176.5	1.6	114.6
236	V	95.9	Very high	97.1	Very high	20 Å²	20	45.1 Å²	45.1	12%	0.121	23%	0.227	C	C	.	.	S	Bend	trans	-133.9	143.8	171.8	58	0	0	0	0	107.9	V233 H234 E240 A241 Y256 L297	V233-V236 HydrophobicContact CG1-CG1 3.67Å; H234-V236 PolarHBondContact O-N 3.14Å; V236-E240 HydrophobicContact CG2-CB 3.87Å; V236-E240 HydrophobicContact CG2-CG 3.83Å; V236-A241 HydrophobicContact CG1-CB 3.94Å; V236-A241 HydrophobicContact CG2-CB 4.19Å; V236-Y256 HydrophobicContact CB-CD1 3.79Å; V236-Y256 HydrophobicContact CB-CD2 3.97Å; V236-Y256 HydrophobicContact CB-CE1 3.97Å; V236-Y256 HydrophobicContact CB-CE2 4.11Å; V236-Y256 HydrophobicContact CB-CG 3.78Å; V236-Y256 HydrophobicContact CG1-CD1 4.4Å; V236-Y256 HydrophobicContact CG1-CD2 4.24Å; V236-Y256 HydrophobicContact CG1-CG 3.99Å; V236-Y256 HydrophobicContact CG2-CD2 4.08Å; V236-Y256 HydrophobicContact CG2-CE1 4.37Å; V236-Y256 HydrophobicContact CG2-CE2 3.85Å; V236-Y256 HydrophobicContact CG2-CG 4.4Å; V236-L297 HydrophobicContact CG1-CD2 3.84Å
237	A	96	Very high	97	Very high	60 Å²	60	50.9 Å²	50.9	50%	0.496	25%	0.254	S	S	.	.			trans	-66.6	150.2	176.6	0	0	0	0	0	110.4	D239 E240 A241	A237-D239 VanDerWaalsContact C-N 3.32Å; A237-D239 PolarHBondContact O-N 3.28Å; A237-E240 HydrophobicContact CB-CB 4.34Å; A237-E240 PolarHBondContact O-N 2.83Å; A237-A241 WeakPolarHBondContact O-CB 3.24Å; A237-A241 PolarHBondContact O-N 2.94Å
238	S	95.3	Very high	97	Very high	53 Å²	53	58.2 Å²	58.2	37%	0.371	29%	0.286	S	S	.	.	H	α-helix	trans	-56.8	-46.9	-179.3	-171.5	0	0	0	0	111.5	E240 A241 M242	S238-E240 PolarHBondContact O-N 2.98Å; S238-A241 PolarHBondContact O-N 3.42Å; S238-M242 WeakPolarHBondContact O-CB 3.29Å; S238-M242 VanDerWaalsContact O-CG 3.23Å; S238-M242 WeakPolarHBondContact O-CG 3.36Å; S238-M242 PolarHBondContact O-N 2.96Å
239	D	96.9	Very high	97	Very high	126 Å²	126	62.8 Å²	62.8	67%	0.674	31%	0.307	S	S	*	.	H	α-helix	trans	-64.4	-42.1	-178.1	-58.6	-19.8	0	0	0	111.8	A237 M242 N243	A237-D239 VanDerWaalsContact C-N 3.32Å; A237-D239 PolarHBondContact O-N 3.28Å; D239-M242 PolarHBondContact O-N 2.86Å; D239-N243 WeakPolarHBondContact O-CB 3.48Å; D239-N243 PolarHBondContact O-N 2.73Å; D239-N243 PolarHBondContact O-ND2 2.85Å; D239-N243 PolarHBondContact O-OD1 3.38Å
240	E	97.9	Very high	97	Very high	83 Å²	83	63.6 Å²	63.6	39%	0.388	31%	0.31	S	S	.	.	H	α-helix	trans	-63.3	-46	176.3	-176.1	-173.7	162.4	0	0	111.4	V236 A237 S238 M242 N243 L244 Y256	V236-E240 HydrophobicContact CG2-CB 3.87Å; V236-E240 HydrophobicContact CG2-CG 3.83Å; A237-E240 HydrophobicContact CB-CB 4.34Å; A237-E240 PolarHBondContact O-N 2.83Å; S238-E240 PolarHBondContact O-N 2.98Å; E240-M242 VanDerWaalsContact C-N 3.32Å; E240-M242 PolarHBondContact O-N 2.87Å; E240-N243 PolarHBondContact O-N 3.17Å; E240-L244 WeakPolarHBondContact O-CG 3.46Å; E240-L244 PolarHBondContact O-N 2.97Å; E240-Y256 PolarHBondContact OE1-OH 2.8Å
241	A	97.9	Very high	97	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-62.4	-40.8	177	0	0	0	0	0	111.9	V236 A237 S238 L244 I245 L253 L297	V236-A241 HydrophobicContact CG1-CB 3.94Å; V236-A241 HydrophobicContact CG2-CB 4.19Å; A237-A241 WeakPolarHBondContact O-CB 3.24Å; A237-A241 PolarHBondContact O-N 2.94Å; S238-A241 PolarHBondContact O-N 3.42Å; A241-L244 PolarHBondContact O-N 3.33Å; A241-I245 WeakPolarHBondContact O-CD1 2.97Å; A241-I245 VanDerWaalsContact O-CG1 3.24Å; A241-I245 WeakPolarHBondContact O-CG1 3.33Å; A241-I245 PolarHBondContact O-N 3.1Å; A241-L253 HydrophobicContact CB-CD1 4.03Å; A241-L297 HydrophobicContact CB-CD1 3.7Å; A241-L297 HydrophobicContact CB-CD2 4.34Å; A241-L297 HydrophobicContact CB-CG 4.36Å
242	M	98	Very high	97	Very high	47 Å²	47	72.5 Å²	72.5	23%	0.232	36%	0.36	C	S	.	.	H	α-helix	trans	-65.7	-41.9	177.6	-71.8	-54.2	-59.3	0	0	111.7	S238 D239 E240 L244 I245 E246 F292 L294 P298	S238-M242 WeakPolarHBondContact O-CB 3.29Å; S238-M242 VanDerWaalsContact O-CG 3.23Å; S238-M242 WeakPolarHBondContact O-CG 3.36Å; S238-M242 PolarHBondContact O-N 2.96Å; D239-M242 PolarHBondContact O-N 2.86Å; E240-M242 VanDerWaalsContact C-N 3.32Å; E240-M242 PolarHBondContact O-N 2.87Å; M242-L244 VanDerWaalsContact C-N 3.35Å; M242-L244 PolarHBondContact O-N 3.29Å; M242-I245 PolarHBondContact O-N 2.79Å; M242-I245 VanDerWaalsContact O-N 3.13Å; M242-I245 HydrophobicContact SD-CD1 4.09Å; M242-E246 WeakPolarHBondContact O-CB 3.43Å; M242-E246 PolarHBondContact O-N 2.85Å; M242-F292 HydrophobicContact CE-CD2 4.02Å; M242-L294 HydrophobicContact CE-CD2 4.15Å; M242-L294 HydrophobicContact CG-CD2 4.48Å; M242-L294 HydrophobicContact SD-CD2 3.72Å; M242-P298 HydrophobicContact SD-CG 3.9Å
243	N	98.2	Very high	97	Very high	85 Å²	85	71.9 Å²	71.9	46%	0.455	36%	0.358	S	S	.	.	H	α-helix	trans	-59	-46.3	173.6	-68	-12.1	0	0	0	111	D239 E240 I245 E246 E247	D239-N243 WeakPolarHBondContact O-CB 3.48Å; D239-N243 PolarHBondContact O-N 2.73Å; D239-N243 PolarHBondContact O-ND2 2.85Å; D239-N243 PolarHBondContact O-OD1 3.38Å; E240-N243 PolarHBondContact O-N 3.17Å; N243-I245 VanDerWaalsContact C-N 3.26Å; N243-I245 PolarHBondContact O-N 2.87Å; N243-E246 PolarHBondContact O-N 2.87Å; N243-E247 WeakPolarHBondContact O-CB 3.36Å; N243-E247 WeakPolarHBondContact O-CG 3.37Å; N243-E247 PolarHBondContact O-N 3.28Å
244	L	98.5	Very high	97.1	Very high	20 Å²	20	72.5 Å²	72.5	11%	0.105	36%	0.361	C	S	.	.	H	α-helix	trans	-60.7	-34.5	176.2	-68.7	174.7	0	0	0	112.7	E240 A241 M242 K248 H249 K252 L253 Y256	E240-L244 WeakPolarHBondContact O-CG 3.46Å; E240-L244 PolarHBondContact O-N 2.97Å; A241-L244 PolarHBondContact O-N 3.33Å; M242-L244 VanDerWaalsContact C-N 3.35Å; M242-L244 PolarHBondContact O-N 3.29Å; L244-K248 PolarHBondContact O-N 2.91Å; L244-H249 HydrophobicContact CB-CB 4.43Å; L244-H249 HydrophobicContact CD2-CB 3.78Å; L244-H249 WeakPolarHBondContact O-CA 3.33Å; L244-H249 PolarHBondContact O-N 2.81Å; L244-K252 HydrophobicContact CD1-CG 4.17Å; L244-K252 HydrophobicContact CD2-CB 4.07Å; L244-K252 HydrophobicContact CD2-CG 3.85Å; L244-L253 HydrophobicContact CB-CB 4.44Å; L244-L253 HydrophobicContact CB-CD1 4.38Å; L244-L253 HydrophobicContact CD1-CB 4.49Å; L244-L253 HydrophobicContact CD1-CD1 4.23Å; L244-Y256 HydrophobicContact CD1-CD2 4.42Å; L244-Y256 HydrophobicContact CD1-CE2 4.05Å
245	I	98	Very high	97.3	Very high	9 Å²	9	73.1 Å²	73.1	5%	0.046	37%	0.366	C	S	.	.	H	α-helix	trans	-71.2	-46.7	176.3	-67.7	162.4	0	0	0	110.7	A241 M242 N243 K248 L253 P281 F292 P298	A241-I245 WeakPolarHBondContact O-CD1 2.97Å; A241-I245 VanDerWaalsContact O-CG1 3.24Å; A241-I245 WeakPolarHBondContact O-CG1 3.33Å; A241-I245 PolarHBondContact O-N 3.1Å; M242-I245 PolarHBondContact O-N 2.79Å; M242-I245 VanDerWaalsContact O-N 3.13Å; M242-I245 HydrophobicContact SD-CD1 4.09Å; N243-I245 VanDerWaalsContact C-N 3.26Å; N243-I245 PolarHBondContact O-N 2.87Å; I245-K248 PolarHBondContact O-N 2.91Å; I245-L253 HydrophobicContact CD1-CD2 4.09Å; I245-L253 HydrophobicContact CG1-CD2 3.55Å; I245-P281 HydrophobicContact CD1-CG 3.88Å; I245-P281 HydrophobicContact CG1-CG 4.08Å; I245-F292 HydrophobicContact CG2-CE2 3.94Å; I245-F292 HydrophobicContact CG2-CZ 4.29Å; I245-P298 HydrophobicContact CD1-CB 3.79Å; I245-P298 HydrophobicContact CD1-CG 4.08Å
246	E	97.4	Very high	97.6	Very high	160 Å²	160	65.1 Å²	65.1	75%	0.748	34%	0.336	S	S	*	.	H	α-helix	trans	-63.4	-42	-179	-173.6	169.1	-168.3	0	0	111.8	M242 N243 K248	M242-E246 WeakPolarHBondContact O-CB 3.43Å; M242-E246 PolarHBondContact O-N 2.85Å; N243-E246 PolarHBondContact O-N 2.87Å; E246-K248 PolarHBondContact O-N 2.81Å
247	E	98.2	Very high	97.8	Very high	121 Å²	121	64.1 Å²	64.1	57%	0.565	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-0.2	174.9	-64.5	179.1	168.3	0	0	113.2	N243 H249	N243-E247 WeakPolarHBondContact O-CB 3.36Å; N243-E247 WeakPolarHBondContact O-CG 3.37Å; N243-E247 PolarHBondContact O-N 3.28Å; E247-H249 PolarHBondContact O-N 2.96Å; E247-H249 PolarHBondContact O-ND1 3.41Å; E247-H249 IonicContact OE2-CD2 2.7Å; E247-H249 PolarHBondContact OE2-CD2 3.01Å; E247-H249 VanDerWaalsContact OE2-CD2 3.29Å; E247-H249 IonicContact OE2-NE2 3.7Å
248	K	98.2	Very high	97.9	Very high	154 Å²	154	61.8 Å²	61.8	67%	0.67	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	30.1	-178.7	-54.3	178.6	-177.9	175.3	0	113.4	L244 I245 E246 F250	L244-K248 PolarHBondContact O-N 2.91Å; I245-K248 PolarHBondContact O-N 2.91Å; E246-K248 PolarHBondContact O-N 2.81Å; K248-F250 HydrophobicContact CB-CD2 4.46Å; K248-F250 HydrophobicContact CB-CE1 4.48Å; K248-F250 HydrophobicContact CB-CE2 3.77Å; K248-F250 HydrophobicContact CB-CZ 3.78Å; K248-F250 HydrophobicContact CG-CE2 4.27Å; K248-F250 HydrophobicContact CG-CZ 3.94Å; K248-F250 PolarHBondContact O-N 2.87Å
249	H	98.3	Very high	98	Very high	96 Å²	96	59.2 Å²	59.2	44%	0.444	29%	0.291	S	S	.	.			trans	-81.6	51.9	175.1	-69.1	-16.5	0	0	0	111.6	L244 E247 S251 K252 L253	L244-H249 HydrophobicContact CB-CB 4.43Å; L244-H249 HydrophobicContact CD2-CB 3.78Å; L244-H249 WeakPolarHBondContact O-CA 3.33Å; L244-H249 PolarHBondContact O-N 2.81Å; E247-H249 PolarHBondContact O-N 2.96Å; E247-H249 PolarHBondContact O-ND1 3.41Å; E247-H249 IonicContact OE2-CD2 2.7Å; E247-H249 PolarHBondContact OE2-CD2 3.01Å; E247-H249 VanDerWaalsContact OE2-CD2 3.29Å; E247-H249 IonicContact OE2-NE2 3.7Å; H249-S251 VanDerWaalsContact C-N 3.34Å; H249-S251 PolarHBondContact O-N 2.84Å; H249-K252 HydrophobicContact CB-CB 4.34Å; H249-K252 WeakPolarHBondContact O-CB 3.35Å; H249-K252 PolarHBondContact O-N 3.37Å; H249-L253 PolarHBondContact O-N 2.84Å
250	F	98.3	Very high	98.1	Very high	17 Å²	17	54 Å²	54	8%	0.075	26%	0.264	C	S	.	.	H	α-helix	trans	-60.8	-39	-174.4	-52.2	-52.4	0	0	0	113.3	K248 K252 L253 L254 N278 N280 Y300	K248-F250 HydrophobicContact CB-CD2 4.46Å; K248-F250 HydrophobicContact CB-CE1 4.48Å; K248-F250 HydrophobicContact CB-CE2 3.77Å; K248-F250 HydrophobicContact CB-CZ 3.78Å; K248-F250 HydrophobicContact CG-CE2 4.27Å; K248-F250 HydrophobicContact CG-CZ 3.94Å; K248-F250 PolarHBondContact O-N 2.87Å; F250-K252 PolarHBondContact O-N 2.83Å; F250-L253 WeakPolarHBondContact O-CB 2.9Å; F250-L253 PolarHBondContact O-N 2.76Å; F250-L253 VanDerWaalsContact O-N 3.12Å; F250-L254 VanDerWaalsContact O-CG 3.29Å; F250-L254 WeakPolarHBondContact O-CG 3.41Å; F250-L254 PolarHBondContact O-N 2.85Å; F250-N278 VanDerWaalsContact CD2-C 3.47Å; F250-N280 WeakPolarHBondContact CE1-OD1 3.38Å; F250-N280 WeakPolarHBondContact CZ-OD1 3.48Å; F250-Y300 WeakPolarHBondContact CD1-OH 3.35Å
251	S	97.3	Very high	98.1	Very high	91 Å²	91	53.2 Å²	53.2	64%	0.636	26%	0.261	S	S	*	.	H	α-helix	trans	-56.7	-40.2	175.3	-177	0	0	0	0	111.6	H249 L254	H249-S251 VanDerWaalsContact C-N 3.34Å; H249-S251 PolarHBondContact O-N 2.84Å; S251-L254 PolarHBondContact O-N 2.89Å
252	K	97.8	Very high	98.1	Very high	100 Å²	100	54 Å²	54	44%	0.435	27%	0.265	S	S	.	.	H	α-helix	trans	-72.4	-39.5	176.3	-172.2	68.9	-160.4	155.2	0	111.9	L244 H249 F250 L254 D255	L244-K252 HydrophobicContact CD1-CG 4.17Å; L244-K252 HydrophobicContact CD2-CB 4.07Å; L244-K252 HydrophobicContact CD2-CG 3.85Å; H249-K252 HydrophobicContact CB-CB 4.34Å; H249-K252 WeakPolarHBondContact O-CB 3.35Å; H249-K252 PolarHBondContact O-N 3.37Å; F250-K252 PolarHBondContact O-N 2.83Å; K252-L254 PolarHBondContact O-N 2.85Å; K252-D255 IonicContact NZ-OD2 2.87Å; K252-D255 PolarHBondContact NZ-OD2 3.06Å; K252-D255 WeakPolarHBondContact O-CB 3.26Å; K252-D255 PolarHBondContact O-N 2.9Å; K252-D255 VanDerWaalsContact O-N 3.11Å
253	L	98.5	Very high	98.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.5	-35.7	174.4	-171.7	66.4	0	0	0	112.1	V233 A241 L244 I245 H249 F250 D255 Y256 P281 Y300	V233-L253 HydrophobicContact CG1-CD1 3.85Å; V233-L253 HydrophobicContact CG1-CG 4.37Å; V233-L253 HydrophobicContact CG2-CG 4.21Å; A241-L253 HydrophobicContact CB-CD1 4.03Å; L244-L253 HydrophobicContact CB-CB 4.44Å; L244-L253 HydrophobicContact CB-CD1 4.38Å; L244-L253 HydrophobicContact CD1-CB 4.49Å; L244-L253 HydrophobicContact CD1-CD1 4.23Å; I245-L253 HydrophobicContact CD1-CD2 4.09Å; I245-L253 HydrophobicContact CG1-CD2 3.55Å; H249-L253 PolarHBondContact O-N 2.84Å; F250-L253 WeakPolarHBondContact O-CB 2.9Å; F250-L253 PolarHBondContact O-N 2.76Å; F250-L253 VanDerWaalsContact O-N 3.12Å; L253-D255 PolarHBondContact O-N 3.03Å; L253-Y256 WeakPolarHBondContact O-CB 3.33Å; L253-Y256 PolarHBondContact O-N 3.47Å; L253-P281 HydrophobicContact CD2-CG 3.77Å; L253-Y300 HydrophobicContact CD2-CE2 3.94Å; L253-Y300 HydrophobicContact CG-CE2 4.41Å
254	L	98.2	Very high	98.1	Very high	20 Å²	20	58.1 Å²	58.1	11%	0.105	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-68.9	-16.8	177.8	-68.8	164	0	0	0	113.8	F250 S251 K252 Y256 D257 T260 I277 Y300	F250-L254 VanDerWaalsContact O-CG 3.29Å; F250-L254 WeakPolarHBondContact O-CG 3.41Å; F250-L254 PolarHBondContact O-N 2.85Å; S251-L254 PolarHBondContact O-N 2.89Å; K252-L254 PolarHBondContact O-N 2.85Å; L254-Y256 PolarHBondContact O-N 2.82Å; L254-D257 HydrophobicContact CD2-CB 3.93Å; L254-D257 WeakPolarHBondContact O-CB 2.99Å; L254-D257 PolarHBondContact O-N 3.04Å; L254-D257 VanDerWaalsContact O-N 3.07Å; L254-T260 HydrophobicContact CB-CG2 4.47Å; L254-T260 WeakPolarHBondContact O-CB 3.39Å; L254-T260 WeakPolarHBondContact O-CG2 3.4Å; L254-I277 HydrophobicContact CD1-CB 3.89Å; L254-I277 HydrophobicContact CD1-CD1 4.48Å; L254-I277 HydrophobicContact CD1-CG2 4.39Å; L254-I277 HydrophobicContact CD2-CD1 3.93Å; L254-Y300 HydrophobicContact CD2-CD2 3.65Å; L254-Y300 HydrophobicContact CD2-CE2 3.66Å; L254-Y300 HydrophobicContact CD2-CG 4.42Å; L254-Y300 HydrophobicContact CG-CE2 4.23Å
255	D	97.8	Very high	98	Very high	54 Å²	54	60 Å²	60	29%	0.289	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-63.2	-20.4	168.7	-71.4	-26.4	0	0	0	111.9	K252 L253 I261 R264	K252-D255 IonicContact NZ-OD2 2.87Å; K252-D255 PolarHBondContact NZ-OD2 3.06Å; K252-D255 WeakPolarHBondContact O-CB 3.26Å; K252-D255 PolarHBondContact O-N 2.9Å; K252-D255 VanDerWaalsContact O-N 3.11Å; L253-D255 PolarHBondContact O-N 3.03Å; D255-I261 WeakPolarHBondContact O-CD1 3.39Å; D255-R264 IonicContact OD1-CZ 3.54Å; D255-R264 IonicContact OD1-NH1 3.62Å; D255-R264 PolarHBondContact OD1-NH1 2.83Å; D255-R264 IonicContact OD1-NH2 3.29Å
256	Y	98.1	Very high	98	Very high	51 Å²	51	66.9 Å²	66.9	20%	0.2	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-100.5	-0.8	175.8	-58.6	-70.7	0	0	0	113.1	V233 H234 V236 E240 L244 L253 L254	V233-Y256 WeakPolarHBondContact CA-O 3.05Å; H234-Y256 PolarHBondContact N-O 2.86Å; H234-Y256 PolarHBondContact ND1-O 3.14Å; H234-Y256 WeakPolarHBondContact O-CB 3.28Å; V236-Y256 HydrophobicContact CB-CD1 3.79Å; V236-Y256 HydrophobicContact CB-CD2 3.97Å; V236-Y256 HydrophobicContact CB-CE1 3.97Å; V236-Y256 HydrophobicContact CB-CE2 4.11Å; V236-Y256 HydrophobicContact CB-CG 3.78Å; V236-Y256 HydrophobicContact CG1-CD1 4.4Å; V236-Y256 HydrophobicContact CG1-CD2 4.24Å; V236-Y256 HydrophobicContact CG1-CG 3.99Å; V236-Y256 HydrophobicContact CG2-CD2 4.08Å; V236-Y256 HydrophobicContact CG2-CE1 4.37Å; V236-Y256 HydrophobicContact CG2-CE2 3.85Å; V236-Y256 HydrophobicContact CG2-CG 4.4Å; E240-Y256 PolarHBondContact OE1-OH 2.8Å; L244-Y256 HydrophobicContact CD1-CD2 4.42Å; L244-Y256 HydrophobicContact CD1-CE2 4.05Å; L253-Y256 WeakPolarHBondContact O-CB 3.33Å; L253-Y256 PolarHBondContact O-N 3.47Å; L254-Y256 PolarHBondContact O-N 2.82Å
257	D	98.3	Very high	98.1	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-80.7	125.4	178.7	172.5	59.1	0	0	0	111.7	L254 L259 T260 I261 R303	L254-D257 HydrophobicContact CD2-CB 3.93Å; L254-D257 WeakPolarHBondContact O-CB 2.99Å; L254-D257 PolarHBondContact O-N 3.04Å; L254-D257 VanDerWaalsContact O-N 3.07Å; D257-L259 PolarHBondContact O-N 3.01Å; D257-L259 PolarHBondContact OD2-N 2.82Å; D257-T260 PolarHBondContact O-N 2.88Å; D257-T260 WeakPolarHBondContact OD2-CB 3.26Å; D257-T260 PolarHBondContact OD2-N 2.82Å; D257-T260 PolarHBondContact OD2-OG1 2.91Å; D257-I261 WeakPolarHBondContact O-CG1 3.42Å; D257-I261 PolarHBondContact O-N 2.75Å; D257-R303 IonicContact OD1-NH1 3.65Å; D257-R303 PolarHBondContact OD1-NH1 3.12Å; D257-R303 IonicContact OD2-CZ 3.15Å; D257-R303 IonicContact OD2-NH1 3.38Å; D257-R303 PolarHBondContact OD2-NH1 3.38Å; D257-R303 IonicContact OD2-NH2 3.38Å; D257-R303 PolarHBondContact OD2-NH2 3.18Å
258	Q	98.4	Very high	98	Very high	10 Å²	10	58.1 Å²	58.1	5%	0.047	28%	0.281	C	S	.	.	H	α-helix	trans	-57.2	-45.2	-178.2	-76.2	172.1	-15.8	0	0	113.2	P192 F231 R232 H234 T260 I261 L262	P192-Q258 PolarHBondContact O-NE2 3.39Å; F231-Q258 HydrophobicContact CB-CB 4.21Å; F231-Q258 HydrophobicContact CD1-CB 3.97Å; R232-Q258 VanDerWaalsContact O-CG 3.23Å; R232-Q258 WeakPolarHBondContact O-CG 3.39Å; R232-Q258 PolarHBondContact O-N 3.01Å; H234-Q258 HydrophobicContact CB-CG 4.43Å; Q258-T260 VanDerWaalsContact C-N 3.33Å; Q258-T260 PolarHBondContact O-N 3.17Å; Q258-I261 PolarHBondContact O-N 2.65Å; Q258-L262 WeakPolarHBondContact O-CB 3.24Å; Q258-L262 WeakPolarHBondContact O-CG 3.38Å; Q258-L262 PolarHBondContact O-N 3.21Å
259	L	98.4	Very high	98	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64	-43.2	-178.4	-177.7	53.9	0	0	0	110.9	M229 F231 D257 I261 L262 R263 F269 R303 L305	M229-L259 HydrophobicContact SD-CD2 4.42Å; F231-L259 HydrophobicContact CB-CB 3.75Å; F231-L259 HydrophobicContact CD1-CB 4.19Å; F231-L259 HydrophobicContact CD2-CB 3.73Å; F231-L259 HydrophobicContact CD2-CD1 3.91Å; F231-L259 HydrophobicContact CD2-CD2 3.94Å; F231-L259 HydrophobicContact CD2-CG 4.06Å; F231-L259 HydrophobicContact CE2-CB 4.37Å; F231-L259 HydrophobicContact CE2-CD1 3.68Å; F231-L259 HydrophobicContact CE2-CD2 4.31Å; F231-L259 HydrophobicContact CE2-CG 4.34Å; F231-L259 HydrophobicContact CG-CB 3.63Å; F231-L259 HydrophobicContact CG-CD1 4.43Å; F231-L259 HydrophobicContact CG-CG 4.44Å; F231-L259 HydrophobicContact CZ-CD1 4.02Å; D257-L259 PolarHBondContact O-N 3.01Å; D257-L259 PolarHBondContact OD2-N 2.82Å; L259-I261 VanDerWaalsContact C-N 3.35Å; L259-I261 PolarHBondContact O-N 3.03Å; L259-L262 PolarHBondContact O-N 2.9Å; L259-R263 HydrophobicContact CD1-CG 3.97Å; L259-R263 HydrophobicContact CG-CG 4.35Å; L259-R263 WeakPolarHBondContact O-CB 3.4Å; L259-R263 WeakPolarHBondContact O-CG 3.43Å; L259-R263 PolarHBondContact O-N 2.99Å; L259-F269 HydrophobicContact CD1-CB 4.05Å; L259-F269 HydrophobicContact CD1-CD2 3.61Å; L259-F269 HydrophobicContact CD1-CE2 4.35Å; L259-F269 HydrophobicContact CD1-CG 4.07Å; L259-R303 HydrophobicContact CD2-CB 4.46Å; L259-R303 HydrophobicContact CD2-CG 4.01Å; L259-L305 HydrophobicContact CD2-CD1 4.01Å; L259-L305 HydrophobicContact CD2-CD2 4.28Å
260	T	98	Very high	97.9	Very high	16 Å²	16	50.6 Å²	50.6	10%	0.098	25%	0.249	C	C	.	.	H	α-helix	trans	-58.7	-46.6	177.7	-59.8	0	0	0	0	111.4	L254 D257 Q258 R264	L254-T260 HydrophobicContact CB-CG2 4.47Å; L254-T260 WeakPolarHBondContact O-CB 3.39Å; L254-T260 WeakPolarHBondContact O-CG2 3.4Å; D257-T260 PolarHBondContact O-N 2.88Å; D257-T260 WeakPolarHBondContact OD2-CB 3.26Å; D257-T260 PolarHBondContact OD2-N 2.82Å; D257-T260 PolarHBondContact OD2-OG1 2.91Å; Q258-T260 VanDerWaalsContact C-N 3.33Å; Q258-T260 PolarHBondContact O-N 3.17Å; T260-R264 WeakPolarHBondContact O-CG 3.43Å; T260-R264 PolarHBondContact O-N 3.18Å; T260-R264 VanDerWaalsContact O-N 3.08Å
261	I	98	Very high	97.7	Very high	66 Å²	66	55.2 Å²	55.2	34%	0.338	27%	0.27	S	S	.	.	H	α-helix	trans	-63.4	-47	176.7	-66.3	161.1	0	0	0	111.3	H234 D255 D257 Q258 L259 R263 R264 A265	H234-I261 VanDerWaalsContact CE1-CD1 3.48Å; H234-I261 WeakPolarHBondContact CE1-CD1 2.93Å; D255-I261 WeakPolarHBondContact O-CD1 3.39Å; D257-I261 WeakPolarHBondContact O-CG1 3.42Å; D257-I261 PolarHBondContact O-N 2.75Å; Q258-I261 PolarHBondContact O-N 2.65Å; L259-I261 VanDerWaalsContact C-N 3.35Å; L259-I261 PolarHBondContact O-N 3.03Å; I261-R263 PolarHBondContact O-N 2.59Å; I261-R264 PolarHBondContact O-N 3.07Å; I261-A265 WeakPolarHBondContact O-CB 3.38Å; I261-A265 PolarHBondContact O-N 2.72Å
262	L	98.2	Very high	97.8	Very high	16 Å²	16	51.2 Å²	51.2	8%	0.084	24%	0.241	C	C	.	.	H	α-helix	trans	-64.6	-37.2	-178.8	-69.6	173.2	0	0	0	112.6	I199 F231 Q258 L259 A265 K266 L267 A268	I199-L262 HydrophobicContact CD1-CD1 4.21Å; I199-L262 HydrophobicContact CD1-CD2 3.67Å; I199-L262 HydrophobicContact CG1-CD1 4.05Å; I199-L262 HydrophobicContact CG1-CD2 4.36Å; F231-L262 HydrophobicContact CD1-CD1 4.07Å; F231-L262 HydrophobicContact CE1-CD1 3.53Å; F231-L262 HydrophobicContact CZ-CD1 4.43Å; Q258-L262 WeakPolarHBondContact O-CB 3.24Å; Q258-L262 WeakPolarHBondContact O-CG 3.38Å; Q258-L262 PolarHBondContact O-N 3.21Å; L259-L262 PolarHBondContact O-N 2.9Å; L262-A265 CarbonylContact O-C 3.54Å; L262-A265 PolarHBondContact O-N 3.45Å; L262-K266 PolarHBondContact O-N 2.81Å; L262-K266 VanDerWaalsContact O-N 3.12Å; L262-L267 HydrophobicContact CD2-CB 3.95Å; L262-L267 HydrophobicContact CD2-CD1 3.74Å; L262-L267 HydrophobicContact CD2-CG 4.49Å; L262-L267 PolarHBondContact O-N 2.93Å; L262-A268 HydrophobicContact CB-CB 4.45Å
263	R	98.1	Very high	97.8	Very high	57 Å²	57	50 Å²	50	22%	0.215	24%	0.242	C	C	.	.	H	α-helix	trans	-65.9	-46.4	174.3	-75.1	177.7	67.4	-138.4	-6.9	111.5	L259 I261 A265 K266 A268 F269 Y272 E274	L259-R263 HydrophobicContact CD1-CG 3.97Å; L259-R263 HydrophobicContact CG-CG 4.35Å; L259-R263 WeakPolarHBondContact O-CB 3.4Å; L259-R263 WeakPolarHBondContact O-CG 3.43Å; L259-R263 PolarHBondContact O-N 2.99Å; I261-R263 PolarHBondContact O-N 2.59Å; R263-A265 VanDerWaalsContact C-N 3.3Å; R263-A265 PolarHBondContact O-N 3.16Å; R263-K266 PolarHBondContact O-N 2.88Å; R263-A268 WeakPolarHBondContact CA-O 3.48Å; R263-A268 VanDerWaalsContact CG-O 3.27Å; R263-A268 WeakPolarHBondContact CG-O 3.15Å; R263-F269 HydrophobicContact CG-CB 3.79Å; R263-F269 PolarHBondContact NE-O 2.82Å; R263-Y272 PolarHBondContact NE-O 3.22Å; R263-Y272 PolarHBondContact NH2-O 3.21Å; R263-E274 VanDerWaalsContact NH1-CB 3.34Å; R263-E274 IonicContact NH1-OE2 3.71Å; R263-E274 PolarHBondContact NH1-OE2 3.08Å
264	R	97.4	Very high	97.8	Very high	163 Å²	163	51.1 Å²	51.1	62%	0.615	25%	0.247	S	C	*	.	H	α-helix	trans	-59.9	-40.8	175.5	-73.1	174.8	-179.9	170.7	1.1	111.6	D255 T260 I261 K266	D255-R264 IonicContact OD1-CZ 3.54Å; D255-R264 IonicContact OD1-NH1 3.62Å; D255-R264 PolarHBondContact OD1-NH1 2.83Å; D255-R264 IonicContact OD1-NH2 3.29Å; T260-R264 WeakPolarHBondContact O-CG 3.43Å; T260-R264 PolarHBondContact O-N 3.18Å; T260-R264 VanDerWaalsContact O-N 3.08Å; I261-R264 PolarHBondContact O-N 3.07Å; R264-K266 PolarHBondContact O-N 3.09Å
265	A	98	Very high	97.8	Very high	58 Å²	58	52.7 Å²	52.7	48%	0.479	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	0.2	176.5	0	0	0	0	0	114.3	I261 L262 R263 L267	I261-A265 WeakPolarHBondContact O-CB 3.38Å; I261-A265 PolarHBondContact O-N 2.72Å; L262-A265 CarbonylContact O-C 3.54Å; L262-A265 PolarHBondContact O-N 3.45Å; R263-A265 VanDerWaalsContact C-N 3.3Å; R263-A265 PolarHBondContact O-N 3.16Å; A265-L267 HydrophobicContact CB-CD1 4.03Å; A265-L267 HydrophobicContact CB-CG 4.03Å; A265-L267 PolarHBondContact O-N 2.76Å
266	K	98	Very high	97.8	Very high	154 Å²	154	53.9 Å²	53.9	67%	0.67	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	25	-177.1	-56.8	-176	179.6	-179.3	0	115.4	L262 R263 R264 H270	L262-K266 PolarHBondContact O-N 2.81Å; L262-K266 VanDerWaalsContact O-N 3.12Å; R263-K266 PolarHBondContact O-N 2.88Å; R264-K266 PolarHBondContact O-N 3.09Å; K266-H270 HydrophobicContact CB-CB 4.18Å; K266-H270 HydrophobicContact CG-CB 4.2Å; K266-H270 PolarHBondContact O-ND1 3.48Å
267	L	97.8	Very high	97.8	Very high	97 Å²	97	51.9 Å²	51.9	51%	0.508	26%	0.261	S	S	.	.	S	Bend	trans	-87.3	-32.4	-178.2	-66.7	174.9	0	0	0	113.4	I199 L262 A265	I199-L267 HydrophobicContact CD1-CB 4.3Å; L262-L267 HydrophobicContact CD2-CB 3.95Å; L262-L267 HydrophobicContact CD2-CD1 3.74Å; L262-L267 HydrophobicContact CD2-CG 4.49Å; L262-L267 PolarHBondContact O-N 2.93Å; A265-L267 HydrophobicContact CB-CD1 4.03Å; A265-L267 HydrophobicContact CB-CG 4.03Å; A265-L267 PolarHBondContact O-N 2.76Å
268	A	97.6	Very high	97.7	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.293	C	S	.	.	S	Bend	trans	-152.2	149.7	175.9	0	0	0	0	0	110.7	I199 Y202 L262 R263 H270	I199-A268 HydrophobicContact CG1-CB 4.19Å; Y202-A268 HydrophobicContact CD1-CB 3.87Å; Y202-A268 HydrophobicContact CE1-CB 4.28Å; Y202-A268 HydrophobicContact CG-CB 4.32Å; L262-A268 HydrophobicContact CB-CB 4.45Å; R263-A268 WeakPolarHBondContact CA-O 3.48Å; R263-A268 VanDerWaalsContact CG-O 3.27Å; R263-A268 WeakPolarHBondContact CG-O 3.15Å; A268-H270 PolarHBondContact O-N 2.91Å
269	F	97.7	Very high	97.7	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	53.1	18.6	175.1	-64.8	-87.2	0	0	0	116.4	Y202 W225 M229 F231 L259 R263 E271 Y272 L305	Y202-F269 AromaticContact CD2-CD1 3.84Å; Y202-F269 HydrophobicContact CD2-CD1 3.84Å; Y202-F269 AromaticContact CD2-CD2 3.73Å; Y202-F269 HydrophobicContact CD2-CD2 3.73Å; Y202-F269 AromaticContact CD2-CE1 3.56Å; Y202-F269 HydrophobicContact CD2-CE1 3.56Å; Y202-F269 AromaticContact CD2-CE2 3.43Å; Y202-F269 HydrophobicContact CD2-CE2 3.43Å; Y202-F269 VanDerWaalsContact CD2-CE2 3.43Å; Y202-F269 AromaticContact CD2-CG 3.93Å; Y202-F269 HydrophobicContact CD2-CG 3.93Å; Y202-F269 AromaticContact CD2-CZ 3.35Å; Y202-F269 HydrophobicContact CD2-CZ 3.35Å; Y202-F269 AromaticContact CE2-CD1 3.67Å; Y202-F269 HydrophobicContact CE2-CD1 3.67Å; Y202-F269 HydrophobicContact CE2-CD2 4.09Å; Y202-F269 AromaticContact CE2-CE1 3.8Å; Y202-F269 HydrophobicContact CE2-CE1 3.8Å; Y202-F269 HydrophobicContact CE2-CE2 4.19Å; Y202-F269 AromaticContact CE2-CG 3.83Å; Y202-F269 HydrophobicContact CE2-CG 3.83Å; Y202-F269 HydrophobicContact CE2-CZ 4.07Å; Y202-F269 HydrophobicContact CG-CD2 4.06Å; Y202-F269 AromaticContact CG-CE2 3.77Å; Y202-F269 HydrophobicContact CG-CE2 3.77Å; Y202-F269 HydrophobicContact CG-CZ 4.1Å; W225-F269 AromaticContact CD2-CE1 3.71Å; W225-F269 HydrophobicContact CD2-CE1 3.71Å; W225-F269 HydrophobicContact CD2-CZ 4.36Å; W225-F269 AromaticContact CE2-CE1 3.75Å; W225-F269 AromaticContact CE2-CZ 3.92Å; W225-F269 HydrophobicContact CE3-CE1 4.18Å; W225-F269 AromaticContact CG-CE1 3.92Å; W225-F269 HydrophobicContact CG-CE1 3.92Å; W225-F269 HydrophobicContact CZ2-CE1 4.21Å; W225-F269 HydrophobicContact CZ2-CZ 4.09Å; W225-F269 AromaticContact NE1-CE1 4Å; M229-F269 HydrophobicContact CE-CE1 4.34Å; M229-F269 HydrophobicContact CE-CZ 4.47Å; M229-F269 HydrophobicContact SD-CE1 4.16Å; M229-F269 HydrophobicContact SD-CE2 4.37Å; M229-F269 HydrophobicContact SD-CZ 3.85Å; F231-F269 HydrophobicContact CE2-CD2 4.34Å; F231-F269 AromaticContact CE2-CE2 3.87Å; F231-F269 HydrophobicContact CE2-CE2 3.87Å; F231-F269 HydrophobicContact CZ-CD2 4.42Å; F231-F269 HydrophobicContact CZ-CE2 4.06Å; L259-F269 HydrophobicContact CD1-CB 4.05Å; L259-F269 HydrophobicContact CD1-CD2 3.61Å; L259-F269 HydrophobicContact CD1-CE2 4.35Å; L259-F269 HydrophobicContact CD1-CG 4.07Å; R263-F269 HydrophobicContact CG-CB 3.79Å; R263-F269 PolarHBondContact NE-O 2.82Å; F269-E271 VanDerWaalsContact C-N 3.27Å; F269-E271 PolarHBondContact O-N 2.72Å; F269-Y272 HydrophobicContact CB-CD2 4.35Å; F269-Y272 HydrophobicContact CD1-CD2 4.02Å; F269-Y272 HydrophobicContact CD1-CE2 4.36Å; F269-Y272 HydrophobicContact CD1-CG 4.28Å; F269-Y272 WeakPolarHBondContact O-CB 3.27Å; F269-Y272 PolarHBondContact O-N 3.13Å; F269-L305 HydrophobicContact CB-CD2 4.16Å; F269-L305 HydrophobicContact CD1-CD2 4.35Å; F269-L305 HydrophobicContact CG-CD2 4.49Å
270	H	96.7	Very high	97.7	Very high	92 Å²	92	60.9 Å²	60.9	43%	0.426	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-20.6	-174.9	69.8	-93.9	0	0	0	113.5	K266 A268	K266-H270 HydrophobicContact CB-CB 4.18Å; K266-H270 HydrophobicContact CG-CB 4.2Å; K266-H270 PolarHBondContact O-ND1 3.48Å; A268-H270 PolarHBondContact O-N 2.91Å
271	E	94.5	Very high	97.7	Very high	114 Å²	114	60.1 Å²	60.1	53%	0.533	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-7.5	171.7	-58.6	-179	102.8	0	0	112.8	F269 R307	F269-E271 VanDerWaalsContact C-N 3.27Å; F269-E271 PolarHBondContact O-N 2.72Å; E271-R307 VanDerWaalsContact O-CB 3.3Å; E271-R307 WeakPolarHBondContact O-CB 3.36Å
272	Y	97.7	Very high	97.7	Very high	7 Å²	7	57 Å²	57	3%	0.027	29%	0.288	C	S	.	.	S	Bend	trans	-101.7	145.4	-179.2	-63.8	-104	0	0	0	110.5	Y202 V223 W225 R263 F269 L305 Y306 R307	Y202-Y272 AromaticContact CE2-CE2 3.99Å; Y202-Y272 HydrophobicContact CE2-CE2 3.99Å; V223-Y272 HydrophobicContact CB-CE1 4.12Å; V223-Y272 HydrophobicContact CG1-CE1 3.9Å; W225-Y272 HydrophobicContact CB-CD1 4.41Å; W225-Y272 HydrophobicContact CB-CE1 4.05Å; W225-Y272 HydrophobicContact CE3-CE1 4.18Å; W225-Y272 AromaticContact CE3-CZ 3.84Å; R263-Y272 PolarHBondContact NE-O 3.22Å; R263-Y272 PolarHBondContact NH2-O 3.21Å; F269-Y272 HydrophobicContact CB-CD2 4.35Å; F269-Y272 HydrophobicContact CD1-CD2 4.02Å; F269-Y272 HydrophobicContact CD1-CE2 4.36Å; F269-Y272 HydrophobicContact CD1-CG 4.28Å; F269-Y272 WeakPolarHBondContact O-CB 3.27Å; F269-Y272 PolarHBondContact O-N 3.13Å; Y272-L305 HydrophobicContact CD1-CB 4.38Å; Y272-Y306 CarbonylContact C-O 3.56Å; Y272-Y306 WeakPolarHBondContact CA-O 3.22Å; Y272-R307 HydrophobicContact CD1-CB 4.05Å; Y272-R307 HydrophobicContact CD1-CG 3.9Å; Y272-R307 HydrophobicContact CE1-CB 4.34Å; Y272-R307 HydrophobicContact CE1-CG 3.68Å; Y272-R307 HydrophobicContact CG-CB 4.36Å; Y272-R307 HydrophobicContact CG-CG 4.47Å; Y272-R307 PolarHBondContact OH-NE 3.24Å
273	V	97.9	Very high	97.7	Very high	74 Å²	74	57.3 Å²	57.3	45%	0.448	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-94.7	145.2	170.3	-179.6	0	0	0	0	108.5	L305 Y306	V273-L305 CarbonylContact O-C 3.51Å; V273-L305 VanDerWaalsContact O-CA 3.3Å; V273-L305 WeakPolarHBondContact O-CA 3.44Å; V273-Y306 HydrophobicContact CB-CD2 3.99Å; V273-Y306 HydrophobicContact CB-CE2 3.63Å; V273-Y306 HydrophobicContact CG1-CE2 3.69Å; V273-Y306 HydrophobicContact CG2-CE2 4.48Å; V273-Y306 PolarHBondContact N-O 2.86Å; V273-Y306 PolarHBondContact O-N 3.28Å
274	E	98.4	Very high	97.7	Very high	24 Å²	24	56.5 Å²	56.5	11%	0.112	29%	0.287	C	S	.	.			trans	-133.4	137.2	168.6	-172.5	178.6	-163.7	0	0	107	R263 R303 L305 Y327	R263-E274 VanDerWaalsContact NH1-CB 3.34Å; R263-E274 IonicContact NH1-OE2 3.71Å; R263-E274 PolarHBondContact NH1-OE2 3.08Å; E274-R303 VanDerWaalsContact CD-NH2 3.34Å; E274-R303 IonicContact OE1-CZ 3.21Å; E274-R303 IonicContact OE1-NE 3.6Å; E274-R303 PolarHBondContact OE1-NE 2.04Å; E274-R303 IonicContact OE1-NH2 3.8Å; E274-R303 PolarHBondContact OE1-NH2 2.98Å; E274-R303 IonicContact OE2-CZ 2.59Å; E274-R303 IonicContact OE2-NE 3.4Å; E274-R303 PolarHBondContact OE2-NE 2.62Å; E274-R303 IonicContact OE2-NH2 3.07Å; E274-R303 PolarHBondContact OE2-NH2 2.82Å; E274-L305 HydrophobicContact CB-CD2 4.15Å; E274-L305 HydrophobicContact CB-CG 4.02Å; E274-L305 HydrophobicContact CG-CG 4.25Å; E274-Y327 HydrophobicContact CG-CE1 3.7Å; E274-Y327 PolarHBondContact OE1-OH 3.24Å
275	D	98	Very high	97.7	Very high	53 Å²	53	48.8 Å²	48.8	28%	0.283	26%	0.257	S	S	.	.			trans	-72.1	161.4	177	-162.9	12	0	0	0	111.2	I277 S324 Y327	D275-I277 PolarHBondContact O-N 2.88Å; D275-S324 WeakPolarHBondContact CB-OG 3.5Å; D275-S324 VanDerWaalsContact CG-OG 3.28Å; D275-S324 WeakPolarHBondContact OD2-CB 3.48Å; D275-S324 PolarHBondContact OD2-OG 3.14Å; D275-Y327 HydrophobicContact CB-CD1 3.79Å; D275-Y327 HydrophobicContact CB-CG 4.12Å; D275-Y327 WeakPolarHBondContact O-CD1 3.05Å; D275-Y327 WeakPolarHBondContact O-CE1 2.98Å
276	S	97.6	Very high	97.7	Very high	80 Å²	80	49.5 Å²	49.5	56%	0.559	25%	0.253	S	S	*	.			trans	-63.5	124.6	-174.6	-62	0	0	0	0	111.5	N278	S276-N278 PolarHBondContact O-N 2.81Å
277	I	98.4	Very high	97.6	Very high	8 Å²	8	45.6 Å²	45.6	4%	0.041	24%	0.243	C	C	.	.			trans	-81.3	107.7	175.6	-64.8	171.2	0	0	0	108.8	L254 D275 F279 Y300 Y327	L254-I277 HydrophobicContact CD1-CB 3.89Å; L254-I277 HydrophobicContact CD1-CD1 4.48Å; L254-I277 HydrophobicContact CD1-CG2 4.39Å; L254-I277 HydrophobicContact CD2-CD1 3.93Å; D275-I277 PolarHBondContact O-N 2.88Å; I277-F279 HydrophobicContact CB-CE1 4.19Å; I277-F279 HydrophobicContact CB-CZ 4.33Å; I277-F279 HydrophobicContact CG1-CE1 4.12Å; I277-F279 HydrophobicContact CG1-CZ 4Å; I277-F279 HydrophobicContact CG2-CD1 4.08Å; I277-F279 HydrophobicContact CG2-CD2 4.11Å; I277-F279 HydrophobicContact CG2-CE1 3.89Å; I277-F279 HydrophobicContact CG2-CE2 3.91Å; I277-F279 HydrophobicContact CG2-CG 4.19Å; I277-F279 HydrophobicContact CG2-CZ 3.81Å; I277-Y300 HydrophobicContact CD1-CD1 4.46Å; I277-Y300 HydrophobicContact CD1-CG 4.47Å; I277-Y300 HydrophobicContact CG2-CD1 3.9Å; I277-Y300 HydrophobicContact CG2-CE1 3.46Å; I277-Y300 VanDerWaalsContact CG2-CE1 3.46Å; I277-Y327 HydrophobicContact CD1-CE1 4.43Å; I277-Y327 HydrophobicContact CG1-CD1 4.31Å; I277-Y327 HydrophobicContact CG1-CE1 3.65Å
278	N	97.4	Very high	97.4	Very high	126 Å²	126	43.3 Å²	43.3	67%	0.674	24%	0.243	S	C	*	.			trans	-117.6	31.9	178.6	-64.9	-48.4	0	0	0	112	F250 S276	F250-N278 VanDerWaalsContact CD2-C 3.47Å; S276-N278 PolarHBondContact O-N 2.81Å
279	F	98.2	Very high	97.3	Very high	20 Å²	20	45.4 Å²	45.4	9%	0.088	26%	0.256	C	S	.	.	S	Bend	trans	-137.7	161.3	-173.8	54.5	-99.2	0	0	0	111.3	I277 T282 Y300 Y327 P329 V341	I277-F279 HydrophobicContact CB-CE1 4.19Å; I277-F279 HydrophobicContact CB-CZ 4.33Å; I277-F279 HydrophobicContact CG1-CE1 4.12Å; I277-F279 HydrophobicContact CG1-CZ 4Å; I277-F279 HydrophobicContact CG2-CD1 4.08Å; I277-F279 HydrophobicContact CG2-CD2 4.11Å; I277-F279 HydrophobicContact CG2-CE1 3.89Å; I277-F279 HydrophobicContact CG2-CE2 3.91Å; I277-F279 HydrophobicContact CG2-CG 4.19Å; I277-F279 HydrophobicContact CG2-CZ 3.81Å; F279-T282 HydrophobicContact CD2-CG2 4.36Å; F279-T282 HydrophobicContact CE2-CG2 4.13Å; F279-Y300 HydrophobicContact CD2-CE1 4.3Å; F279-Y300 HydrophobicContact CE2-CD1 4.13Å; F279-Y300 HydrophobicContact CE2-CE1 4.26Å; F279-Y300 WeakPolarHBondContact O-CE1 3.29Å; F279-Y300 PolarHBondContact O-OH 2.8Å; F279-Y327 HydrophobicContact CE1-CD1 4.07Å; F279-Y327 HydrophobicContact CE1-CE1 4.23Å; F279-Y327 HydrophobicContact CE1-CG 4.29Å; F279-Y327 HydrophobicContact CZ-CE1 4.29Å; F279-P329 HydrophobicContact CB-CG 3.86Å; F279-P329 HydrophobicContact CD2-CB 4.43Å; F279-P329 HydrophobicContact CD2-CG 3.74Å; F279-P329 HydrophobicContact CE2-CG 4.46Å; F279-P329 HydrophobicContact CG-CG 3.91Å; F279-V341 HydrophobicContact CZ-CG1 4.46Å
280	N	98	Very high	97.2	Very high	54 Å²	54	48.8 Å²	48.8	29%	0.289	28%	0.279	S	S	.	.			trans	-60.6	150.2	178.5	-78.4	-9.9	0	0	0	112.4	F250 T282 F292 M331	F250-N280 WeakPolarHBondContact CE1-OD1 3.38Å; F250-N280 WeakPolarHBondContact CZ-OD1 3.48Å; N280-T282 PolarHBondContact O-N 2.79Å; N280-F292 HydrophobicContact CB-CZ 4.43Å; N280-M331 HydrophobicContact CB-CE 4.44Å
281	P	98.4	Very high	97.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.288	C	S	.	.			trans	-48	139.5	167.7	-26.8	34.5	0	0	0	112.5	I245 L253 Y285 F292 P298 Y300	I245-P281 HydrophobicContact CD1-CG 3.88Å; I245-P281 HydrophobicContact CG1-CG 4.08Å; L253-P281 HydrophobicContact CD2-CG 3.77Å; P281-Y285 VanDerWaalsContact O-CE2 3.26Å; P281-Y285 WeakPolarHBondContact O-CE2 3.46Å; P281-Y285 PolarHBondContact O-OH 2.77Å; P281-F292 HydrophobicContact CB-CE1 4.4Å; P281-P298 HydrophobicContact CB-CB 3.74Å; P281-P298 HydrophobicContact CG-CB 3.97Å; P281-Y300 VanDerWaalsContact CA-CE1 3.46Å; P281-Y300 HydrophobicContact CB-CD1 4.44Å; P281-Y300 HydrophobicContact CB-CE1 4.22Å; P281-Y300 HydrophobicContact CG-CE1 4.05Å; P281-Y300 HydrophobicContact CG-CE2 4.11Å
282	T	98.3	Very high	97.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.27	C	S	.	.			trans	-97	0.5	-173.7	52.8	0	0	0	0	114.3	F279 N280 S299 P329 H338 K339 V341	F279-T282 HydrophobicContact CD2-CG2 4.36Å; F279-T282 HydrophobicContact CE2-CG2 4.13Å; N280-T282 PolarHBondContact O-N 2.79Å; T282-S299 PolarHBondContact N-O 2.92Å; T282-P329 HydrophobicContact CG2-CB 3.63Å; T282-P329 HydrophobicContact CG2-CG 4.32Å; T282-H338 CarbonylContact O-C 3.36Å; T282-H338 WeakPolarHBondContact O-CA 3.49Å; T282-K339 HydrophobicContact CG2-CB 4.1Å; T282-K339 PolarHBondContact O-N 2.77Å; T282-V341 HydrophobicContact CG2-CG2 3.54Å
283	Y	98.4	Very high	97.3	Very high	22 Å²	22	48 Å²	48	9%	0.086	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-141.2	148.2	174	171.3	-96	0	0	0	108.4	R232 R296 P298 S299 C301 H338	R232-Y283 VanDerWaalsContact NH1-CE1 3.31Å; Y283-R296 HydrophobicContact CE1-CB 4.34Å; Y283-P298 CarbonylContact O-C 3.58Å; Y283-P298 WeakPolarHBondContact O-CA 3.3Å; Y283-S299 PolarHBondContact N-O 3.16Å; Y283-S299 PolarHBondContact O-N 2.78Å; Y283-C301 WeakPolarHBondContact CD1-SG 3.4Å; Y283-H338 AromaticContact CD2-CD2 3.6Å; Y283-H338 AromaticContact CD2-CE1 3.4Å; Y283-H338 WeakPolarHBondContact CD2-CE1 3.46Å; Y283-H338 AromaticContact CD2-CG 3.96Å; Y283-H338 AromaticContact CD2-ND1 3.85Å; Y283-H338 AromaticContact CD2-NE2 3.2Å; Y283-H338 WeakPolarHBondContact CD2-NE2 3.25Å; Y283-H338 AromaticContact CE2-NE2 3.49Å; Y283-H338 WeakPolarHBondContact CE2-NE2 3.33Å; Y283-H338 AromaticContact CG-CE1 3.93Å
284	K	97.7	Very high	97.2	Very high	41 Å²	41	49.3 Å²	49.3	18%	0.178	28%	0.281	C	S	.	.			cis	-106.5	136.5	-7	-168.5	-177.3	-179.3	-154.4	0	109.6	F292 D293 R296 D337	K284-F292 CarbonylContact O-C 3.6Å; K284-F292 WeakPolarHBondContact O-CA 3.33Å; K284-D293 HydrophobicContact CB-CB 4.42Å; K284-D293 HydrophobicContact CD-CB 4.1Å; K284-D293 WeakPolarHBondContact CD-OD2 3.3Å; K284-D293 VanDerWaalsContact CE-OD2 3.26Å; K284-D293 WeakPolarHBondContact CE-OD2 3.49Å; K284-D293 HydrophobicContact CG-CB 4.1Å; K284-D293 IonicContact NZ-OD2 2.86Å; K284-D293 PolarHBondContact NZ-OD2 3.5Å; K284-D293 PolarHBondContact O-N 2.67Å; K284-R296 HydrophobicContact CB-CB 4.41Å; K284-R296 HydrophobicContact CD-CB 4.46Å; K284-R296 HydrophobicContact CD-CG 4.36Å; K284-D337 WeakPolarHBondContact CE-OD2 3.39Å; K284-D337 HydrophobicContact CG-CB 3.87Å
285	Y	98	Very high	97	Very high	1 Å²	1	51.2 Å²	51.2	0%	0.004	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-111.2	155.8	177.1	-69.8	-97.5	0	0	0	111.2	P281 P287 Q291 F292 M331 D337 K339	P281-Y285 VanDerWaalsContact O-CE2 3.26Å; P281-Y285 WeakPolarHBondContact O-CE2 3.46Å; P281-Y285 PolarHBondContact O-OH 2.77Å; Y285-P287 WeakPolarHBondContact O-CD 3.3Å; Y285-Q291 CarbonylContact C-O 3.53Å; Y285-Q291 VanDerWaalsContact CA-O 3.3Å; Y285-Q291 WeakPolarHBondContact CA-O 3.46Å; Y285-Q291 WeakPolarHBondContact CD1-O 3.39Å; Y285-F292 HydrophobicContact CD1-CD1 4.23Å; Y285-F292 HydrophobicContact CD2-CD1 4.39Å; Y285-F292 HydrophobicContact CD2-CE1 4.42Å; Y285-F292 AromaticContact CE1-CD1 3.86Å; Y285-F292 HydrophobicContact CE1-CD1 3.86Å; Y285-F292 AromaticContact CE1-CE1 3.74Å; Y285-F292 HydrophobicContact CE1-CE1 3.74Å; Y285-F292 HydrophobicContact CE1-CG 4.47Å; Y285-F292 HydrophobicContact CE1-CZ 4.25Å; Y285-F292 HydrophobicContact CE2-CD1 4Å; Y285-F292 AromaticContact CE2-CE1 3.61Å; Y285-F292 HydrophobicContact CE2-CE1 3.61Å; Y285-F292 HydrophobicContact CG-CD1 4.49Å; Y285-F292 AromaticContact CZ-CD1 3.73Å; Y285-F292 AromaticContact CZ-CE1 3.21Å; Y285-F292 AromaticContact CZ-CZ 3.82Å; Y285-F292 WeakPolarHBondContact OH-CE1 3.41Å; Y285-F292 VanDerWaalsContact OH-CZ 3.3Å; Y285-F292 WeakPolarHBondContact OH-CZ 3.42Å; Y285-M331 HydrophobicContact CE1-CE 4.04Å; Y285-M331 WeakPolarHBondContact OH-CE 3.48Å; Y285-D337 PolarHBondContact N-O 3.33Å; Y285-D337 VanDerWaalsContact O-CA 3.29Å; Y285-D337 WeakPolarHBondContact O-CA 2.97Å; Y285-D337 WeakPolarHBondContact O-CB 3.15Å; Y285-K339 HydrophobicContact CD2-CD 4.34Å; Y285-K339 HydrophobicContact CD2-CG 3.8Å; Y285-K339 HydrophobicContact CE2-CD 4.48Å; Y285-K339 HydrophobicContact CE2-CG 3.61Å; Y285-K339 VanDerWaalsContact CG-CE 3.49Å; Y285-K339 HydrophobicContact CG-CG 4.42Å
286	L	97.2	Very high	96.8	Very high	72 Å²	72	54.9 Å²	54.9	38%	0.377	31%	0.307	S	S	.	.			trans	-71.8	120.7	164.4	-66.6	171.6	0	0	0	108.7	G288 T289 Q291 D293	L286-G288 PolarHBondContact O-N 3.15Å; L286-T289 HydrophobicContact CB-CG2 4.36Å; L286-T289 WeakPolarHBondContact CB-OG1 3.43Å; L286-T289 PolarHBondContact O-N 3.07Å; L286-T289 PolarHBondContact O-OG1 2.78Å; L286-Q291 HydrophobicContact CD1-CB 4.45Å; L286-Q291 PolarHBondContact N-O 3.21Å; L286-D293 HydrophobicContact CD2-CB 3.87Å; L286-D293 HydrophobicContact CG-CB 4.1Å
287	P	94.7	Very high	96.7	Very high	72 Å²	72	53 Å²	53	47%	0.468	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	139.3	177.3	-26.2	34.9	0	0	0	111.9	Y285 T289 D337	Y285-P287 WeakPolarHBondContact O-CD 3.3Å; P287-T289 VanDerWaalsContact C-N 3.33Å; P287-D337 HydrophobicContact CG-CB 4.18Å
288	G	94.1	Very high	96.7	Very high	49 Å²	49	52.6 Å²	52.6	51%	0.505	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	-3.2	-173.4	0	0	0	0	0	114.3	L286 L334	L286-G288 PolarHBondContact O-N 3.15Å; G288-L334 WeakPolarHBondContact CA-O 3.42Å; G288-L334 PolarHBondContact N-O 2.87Å
289	T	95.8	Very high	96.8	Very high	44 Å²	44	46.7 Å²	46.7	27%	0.27	26%	0.256	S	S	.	.	S	Bend	trans	-135.5	174.9	-173.6	83.7	0	0	0	0	113.1	L286 P287 Q291 K339	L286-T289 HydrophobicContact CB-CG2 4.36Å; L286-T289 WeakPolarHBondContact CB-OG1 3.43Å; L286-T289 PolarHBondContact O-N 3.07Å; L286-T289 PolarHBondContact O-OG1 2.78Å; P287-T289 VanDerWaalsContact C-N 3.33Å; T289-Q291 PolarHBondContact OG1-N 3.47Å; T289-Q291 VanDerWaalsContact OG1-N 3.08Å; T289-K339 PolarHBondContact O-NZ 3Å
290	S	95.3	Very high	96.8	Very high	71 Å²	71	45.7 Å²	45.7	50%	0.497	25%	0.252	S	S	.	.	S	Bend	trans	-105.8	17.2	167.8	-59.6	0	0	0	0	112.5	L334	S290-L334 WeakPolarHBondContact OG-CD2 3.47Å
291	Q	97.2	Very high	96.8	Very high	128 Å²	128	43.1 Å²	43.1	60%	0.598	24%	0.238	S	C	*	.	S	Bend	trans	-93.4	138.9	179.4	-64.5	179.3	-4.8	0	0	110.5	Y285 L286 T289	Y285-Q291 CarbonylContact C-O 3.53Å; Y285-Q291 VanDerWaalsContact CA-O 3.3Å; Y285-Q291 WeakPolarHBondContact CA-O 3.46Å; Y285-Q291 WeakPolarHBondContact CD1-O 3.39Å; L286-Q291 HydrophobicContact CD1-CB 4.45Å; L286-Q291 PolarHBondContact N-O 3.21Å; T289-Q291 PolarHBondContact OG1-N 3.47Å; T289-Q291 VanDerWaalsContact OG1-N 3.08Å
292	F	97.8	Very high	96.8	Very high	39 Å²	39	43.2 Å²	43.2	17%	0.171	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-66.9	137.7	174.1	-71.2	-62.5	0	0	0	111.2	M242 I245 N280 P281 K284 Y285 L294 P298	M242-F292 HydrophobicContact CE-CD2 4.02Å; I245-F292 HydrophobicContact CG2-CE2 3.94Å; I245-F292 HydrophobicContact CG2-CZ 4.29Å; N280-F292 HydrophobicContact CB-CZ 4.43Å; P281-F292 HydrophobicContact CB-CE1 4.4Å; K284-F292 CarbonylContact O-C 3.6Å; K284-F292 WeakPolarHBondContact O-CA 3.33Å; Y285-F292 HydrophobicContact CD1-CD1 4.23Å; Y285-F292 HydrophobicContact CD2-CD1 4.39Å; Y285-F292 HydrophobicContact CD2-CE1 4.42Å; Y285-F292 AromaticContact CE1-CD1 3.86Å; Y285-F292 HydrophobicContact CE1-CD1 3.86Å; Y285-F292 AromaticContact CE1-CE1 3.74Å; Y285-F292 HydrophobicContact CE1-CE1 3.74Å; Y285-F292 HydrophobicContact CE1-CG 4.47Å; Y285-F292 HydrophobicContact CE1-CZ 4.25Å; Y285-F292 HydrophobicContact CE2-CD1 4Å; Y285-F292 AromaticContact CE2-CE1 3.61Å; Y285-F292 HydrophobicContact CE2-CE1 3.61Å; Y285-F292 HydrophobicContact CG-CD1 4.49Å; Y285-F292 AromaticContact CZ-CD1 3.73Å; Y285-F292 AromaticContact CZ-CE1 3.21Å; Y285-F292 AromaticContact CZ-CZ 3.82Å; Y285-F292 WeakPolarHBondContact OH-CE1 3.41Å; Y285-F292 VanDerWaalsContact OH-CZ 3.3Å; Y285-F292 WeakPolarHBondContact OH-CZ 3.42Å; F292-L294 HydrophobicContact CB-CD2 3.85Å; F292-L294 PolarHBondContact O-N 2.95Å; F292-P298 HydrophobicContact CB-CG 4.19Å; F292-P298 HydrophobicContact CD1-CB 3.81Å; F292-P298 HydrophobicContact CD1-CG 3.63Å; F292-P298 HydrophobicContact CD2-CG 4.16Å; F292-P298 HydrophobicContact CE1-CB 3.64Å; F292-P298 HydrophobicContact CE1-CG 3.94Å; F292-P298 HydrophobicContact CE2-CG 4.44Å; F292-P298 HydrophobicContact CG-CB 4.38Å; F292-P298 HydrophobicContact CG-CG 3.74Å; F292-P298 HydrophobicContact CZ-CB 4.08Å; F292-P298 HydrophobicContact CZ-CG 4.34Å
293	D	96.6	Very high	96.8	Very high	29 Å²	29	43.2 Å²	43.2	16%	0.155	24%	0.239	C	C	.	.			trans	-86.9	95.9	164.8	175.7	-1.7	0	0	0	108.4	K284 L286 S295 R296	K284-D293 HydrophobicContact CB-CB 4.42Å; K284-D293 HydrophobicContact CD-CB 4.1Å; K284-D293 WeakPolarHBondContact CD-OD2 3.3Å; K284-D293 VanDerWaalsContact CE-OD2 3.26Å; K284-D293 WeakPolarHBondContact CE-OD2 3.49Å; K284-D293 HydrophobicContact CG-CB 4.1Å; K284-D293 IonicContact NZ-OD2 2.86Å; K284-D293 PolarHBondContact NZ-OD2 3.5Å; K284-D293 PolarHBondContact O-N 2.67Å; L286-D293 HydrophobicContact CD2-CB 3.87Å; L286-D293 HydrophobicContact CG-CB 4.1Å; D293-S295 PolarHBondContact O-N 3.43Å; D293-S295 WeakPolarHBondContact OD1-CB 3.48Å; D293-S295 PolarHBondContact OD1-N 3.09Å; D293-S295 PolarHBondContact OD1-OG 2.89Å; D293-S295 PolarHBondContact OD2-OG 3.38Å; D293-S295 VanDerWaalsContact OD2-OG 3.12Å; D293-R296 PolarHBondContact O-N 3.26Å; D293-R296 VanDerWaalsContact O-O 3.11Å
294	L	94.7	Very high	96.8	Very high	103 Å²	103	42.2 Å²	42.2	54%	0.539	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	5	-176.9	-57.2	-178.9	0	0	0	114	M242 F292 R296 P298	M242-L294 HydrophobicContact CE-CD2 4.15Å; M242-L294 HydrophobicContact CG-CD2 4.48Å; M242-L294 HydrophobicContact SD-CD2 3.72Å; F292-L294 HydrophobicContact CB-CD2 3.85Å; F292-L294 PolarHBondContact O-N 2.95Å; L294-R296 PolarHBondContact O-N 3.4Å; L294-P298 HydrophobicContact CD2-CG 4.45Å
295	S	95.2	Very high	96.9	Very high	64 Å²	64	40.2 Å²	40.2	45%	0.448	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-16.6	164.7	69.5	0	0	0	0	112.5	D293	D293-S295 PolarHBondContact O-N 3.43Å; D293-S295 WeakPolarHBondContact OD1-CB 3.48Å; D293-S295 PolarHBondContact OD1-N 3.09Å; D293-S295 PolarHBondContact OD1-OG 2.89Å; D293-S295 PolarHBondContact OD2-OG 3.38Å; D293-S295 VanDerWaalsContact OD2-OG 3.12Å
296	R	93.8	Very high	96.9	Very high	130 Å²	130	41.2 Å²	41.2	49%	0.491	23%	0.23	S	C	.	.	S	Bend	trans	-135.8	144.1	170.8	-66.2	-64.6	-176.9	-95.4	3.9	109.6	Y283 K284 D293 L294	Y283-R296 HydrophobicContact CE1-CB 4.34Å; K284-R296 HydrophobicContact CB-CB 4.41Å; K284-R296 HydrophobicContact CD-CB 4.46Å; K284-R296 HydrophobicContact CD-CG 4.36Å; D293-R296 PolarHBondContact O-N 3.26Å; D293-R296 VanDerWaalsContact O-O 3.11Å; L294-R296 PolarHBondContact O-N 3.4Å
297	L	96.3	Very high	96.8	Very high	40 Å²	40	39 Å²	39	21%	0.209	22%	0.217	C	C	.	.			trans	-61.6	130	173.8	-166.1	68.2	0	0	0	110	V233 V236 A241 S299	V233-L297 HydrophobicContact CB-CD2 4.09Å; V233-L297 HydrophobicContact CG1-CD2 3.69Å; V236-L297 HydrophobicContact CG1-CD2 3.84Å; A241-L297 HydrophobicContact CB-CD1 3.7Å; A241-L297 HydrophobicContact CB-CD2 4.34Å; A241-L297 HydrophobicContact CB-CG 4.36Å; L297-S299 PolarHBondContact O-N 2.87Å; L297-S299 PolarHBondContact O-OG 2.86Å
298	P	98	Very high	96.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.214	C	C	.	.			trans	-55.4	132.9	174.9	-28	36.8	0	0	0	112.1	M242 I245 P281 Y283 F292 L294	M242-P298 HydrophobicContact SD-CG 3.9Å; I245-P298 HydrophobicContact CD1-CB 3.79Å; I245-P298 HydrophobicContact CD1-CG 4.08Å; P281-P298 HydrophobicContact CB-CB 3.74Å; P281-P298 HydrophobicContact CG-CB 3.97Å; Y283-P298 CarbonylContact O-C 3.58Å; Y283-P298 WeakPolarHBondContact O-CA 3.3Å; F292-P298 HydrophobicContact CB-CG 4.19Å; F292-P298 HydrophobicContact CD1-CB 3.81Å; F292-P298 HydrophobicContact CD1-CG 3.63Å; F292-P298 HydrophobicContact CD2-CG 4.16Å; F292-P298 HydrophobicContact CE1-CB 3.64Å; F292-P298 HydrophobicContact CE1-CG 3.94Å; F292-P298 HydrophobicContact CE2-CG 4.44Å; F292-P298 HydrophobicContact CG-CB 4.38Å; F292-P298 HydrophobicContact CG-CG 3.74Å; F292-P298 HydrophobicContact CZ-CB 4.08Å; F292-P298 HydrophobicContact CZ-CG 4.34Å; L294-P298 HydrophobicContact CD2-CG 4.45Å
299	S	98.4	Very high	96.8	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.007	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-143.8	159.1	-171.4	-67.1	0	0	0	0	113.1	V233 T282 Y283 L297 C301	V233-S299 PolarHBondContact N-OG 3.06Å; T282-S299 PolarHBondContact N-O 2.92Å; Y283-S299 PolarHBondContact N-O 3.16Å; Y283-S299 PolarHBondContact O-N 2.78Å; L297-S299 PolarHBondContact O-N 2.87Å; L297-S299 PolarHBondContact O-OG 2.86Å; S299-C301 PolarHBondContact O-N 3.41Å
300	Y	98.5	Very high	96.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.217	C	C	.	.			trans	-94.5	72.2	175.3	-56.2	-78.8	0	0	0	110.5	V233 F250 L253 L254 I277 F279 P281 R303	V233-Y300 HydrophobicContact CG2-CD2 4.17Å; V233-Y300 HydrophobicContact CG2-CE2 4.37Å; F250-Y300 WeakPolarHBondContact CD1-OH 3.35Å; L253-Y300 HydrophobicContact CD2-CE2 3.94Å; L253-Y300 HydrophobicContact CG-CE2 4.41Å; L254-Y300 HydrophobicContact CD2-CD2 3.65Å; L254-Y300 HydrophobicContact CD2-CE2 3.66Å; L254-Y300 HydrophobicContact CD2-CG 4.42Å; L254-Y300 HydrophobicContact CG-CE2 4.23Å; I277-Y300 HydrophobicContact CD1-CD1 4.46Å; I277-Y300 HydrophobicContact CD1-CG 4.47Å; I277-Y300 HydrophobicContact CG2-CD1 3.9Å; I277-Y300 HydrophobicContact CG2-CE1 3.46Å; I277-Y300 VanDerWaalsContact CG2-CE1 3.46Å; F279-Y300 HydrophobicContact CD2-CE1 4.3Å; F279-Y300 HydrophobicContact CE2-CD1 4.13Å; F279-Y300 HydrophobicContact CE2-CE1 4.26Å; F279-Y300 WeakPolarHBondContact O-CE1 3.29Å; F279-Y300 PolarHBondContact O-OH 2.8Å; P281-Y300 VanDerWaalsContact CA-CE1 3.46Å; P281-Y300 HydrophobicContact CB-CD1 4.44Å; P281-Y300 HydrophobicContact CB-CE1 4.22Å; P281-Y300 HydrophobicContact CG-CE1 4.05Å; P281-Y300 HydrophobicContact CG-CE2 4.11Å; Y300-R303 WeakPolarHBondContact O-CD 3.43Å; Y300-R303 PolarHBondContact O-NH1 2.74Å
301	C	98.3	Very high	96.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.			trans	-74	-42.9	-176.9	-64.6	0	0	0	0	112.5	D228 M229 N230 R232 Y283 S299	D228-C301 WeakPolarHBondContact OD1-CB 3.37Å; M229-C301 PolarHBondContact N-O 2.82Å; N230-C301 PolarHBondContact N-O 3.31Å; R232-C301 VanDerWaalsContact CD-SG 3.59Å; R232-C301 PolarHBondContact NE-SG 2.93Å; R232-C301 VanDerWaalsContact NE-SG 3.44Å; Y283-C301 WeakPolarHBondContact CD1-SG 3.4Å; S299-C301 PolarHBondContact O-N 3.41Å
302	D	98.7	Very high	95.7	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123.2	-179.9	-57.9	-99.3	0	0	0	110.3	T48 G227 H338 V341	T48-D302 HydrophobicContact CG2-CB 3.99Å; G227-D302 WeakPolarHBondContact O-CA 3.31Å; D302-H338 IonicContact OD2-CE1 2.68Å; D302-H338 IonicContact OD2-CG 3.62Å; D302-H338 IonicContact OD2-ND1 3.1Å; D302-H338 PolarHBondContact OD2-ND1 3.43Å; D302-V341 HydrophobicContact CB-CB 4.26Å; D302-V341 HydrophobicContact CB-CG2 3.88Å
303	R	98.5	Very high	95.1	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	153.4	-173	-53.1	-67.3	-82.4	-95.1	3.8	111.4	F226 G227 M229 D257 L259 E274 Y300 L305	F226-R303 WeakPolarHBondContact CA-O 3.41Å; F226-R303 WeakPolarHBondContact CB-O 3.29Å; G227-R303 PolarHBondContact N-O 3.01Å; G227-R303 PolarHBondContact O-N 3.2Å; G227-R303 VanDerWaalsContact O-N 3.12Å; M229-R303 HydrophobicContact CE-CB 4.29Å; M229-R303 HydrophobicContact SD-CB 4.11Å; D257-R303 IonicContact OD1-NH1 3.65Å; D257-R303 PolarHBondContact OD1-NH1 3.12Å; D257-R303 IonicContact OD2-CZ 3.15Å; D257-R303 IonicContact OD2-NH1 3.38Å; D257-R303 PolarHBondContact OD2-NH1 3.38Å; D257-R303 IonicContact OD2-NH2 3.38Å; D257-R303 PolarHBondContact OD2-NH2 3.18Å; L259-R303 HydrophobicContact CD2-CB 4.46Å; L259-R303 HydrophobicContact CD2-CG 4.01Å; E274-R303 VanDerWaalsContact CD-NH2 3.34Å; E274-R303 IonicContact OE1-CZ 3.21Å; E274-R303 IonicContact OE1-NE 3.6Å; E274-R303 PolarHBondContact OE1-NE 2.04Å; E274-R303 IonicContact OE1-NH2 3.8Å; E274-R303 PolarHBondContact OE1-NH2 2.98Å; E274-R303 IonicContact OE2-CZ 2.59Å; E274-R303 IonicContact OE2-NE 3.4Å; E274-R303 PolarHBondContact OE2-NE 2.62Å; E274-R303 IonicContact OE2-NH2 3.07Å; E274-R303 PolarHBondContact OE2-NH2 2.82Å; Y300-R303 WeakPolarHBondContact O-CD 3.43Å; Y300-R303 PolarHBondContact O-NH1 2.74Å; R303-L305 HydrophobicContact CB-CD1 3.57Å
304	V	98.8	Very high	94.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	110.4	169	-175.7	0	0	0	0	109.1	I46 T48 F226 Y327 V341 N343	I46-V304 HydrophobicContact CB-CG1 4.05Å; I46-V304 HydrophobicContact CG1-CG1 4.46Å; I46-V304 HydrophobicContact CG2-CG1 3.92Å; I46-V304 HydrophobicContact CG2-CG2 4.13Å; T48-V304 HydrophobicContact CG2-CG2 4.18Å; F226-V304 HydrophobicContact CB-CB 4.36Å; F226-V304 HydrophobicContact CB-CG1 4.32Å; F226-V304 HydrophobicContact CB-CG2 3.97Å; V304-Y327 HydrophobicContact CB-CE2 3.85Å; V304-Y327 HydrophobicContact CG2-CE2 4.14Å; V304-Y327 PolarHBondContact N-OH 3.08Å; V304-Y327 VanDerWaalsContact N-OH 3.1Å; V304-V341 HydrophobicContact CG2-CG1 4.37Å; V304-N343 HydrophobicContact CB-CB 3.9Å; V304-N343 HydrophobicContact CG1-CB 3.65Å; V304-N343 HydrophobicContact CG2-CB 4.3Å
305	L	98.7	Very high	94.2	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	154.9	178	-64.6	95.1	0	0	0	110.2	W225 M229 L259 F269 Y272 V273 E274 R303	W225-L305 PolarHBondContact N-O 3.07Å; W225-L305 PolarHBondContact O-N 2.88Å; W225-L305 VanDerWaalsContact O-O 3.05Å; M229-L305 HydrophobicContact CE-CD1 3.71Å; M229-L305 HydrophobicContact SD-CD1 3.88Å; L259-L305 HydrophobicContact CD2-CD1 4.01Å; L259-L305 HydrophobicContact CD2-CD2 4.28Å; F269-L305 HydrophobicContact CB-CD2 4.16Å; F269-L305 HydrophobicContact CD1-CD2 4.35Å; F269-L305 HydrophobicContact CG-CD2 4.49Å; Y272-L305 HydrophobicContact CD1-CB 4.38Å; V273-L305 CarbonylContact O-C 3.51Å; V273-L305 VanDerWaalsContact O-CA 3.3Å; V273-L305 WeakPolarHBondContact O-CA 3.44Å; E274-L305 HydrophobicContact CB-CD2 4.15Å; E274-L305 HydrophobicContact CB-CG 4.02Å; E274-L305 HydrophobicContact CG-CG 4.25Å; R303-L305 HydrophobicContact CB-CD1 3.57Å
306	Y	98.3	Very high	93.8	Very high	22 Å²	22	43.5 Å²	43.5	9%	0.086	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	153.5	179.7	53.8	-97.5	0	0	0	112.4	V223 Y272 V273 I322 L345	V223-Y306 CarbonylContact O-C 3.59Å; V223-Y306 VanDerWaalsContact O-CA 3.25Å; V223-Y306 WeakPolarHBondContact O-CA 3.18Å; Y272-Y306 CarbonylContact C-O 3.56Å; Y272-Y306 WeakPolarHBondContact CA-O 3.22Å; V273-Y306 HydrophobicContact CB-CD2 3.99Å; V273-Y306 HydrophobicContact CB-CE2 3.63Å; V273-Y306 HydrophobicContact CG1-CE2 3.69Å; V273-Y306 HydrophobicContact CG2-CE2 4.48Å; V273-Y306 PolarHBondContact N-O 2.86Å; V273-Y306 PolarHBondContact O-N 3.28Å; Y306-I322 HydrophobicContact CD2-CB 4.17Å; Y306-I322 HydrophobicContact CD2-CD1 3.63Å; Y306-I322 HydrophobicContact CD2-CG2 3.74Å; Y306-I322 HydrophobicContact CE2-CB 4.13Å; Y306-I322 HydrophobicContact CE2-CD1 4.43Å; Y306-I322 HydrophobicContact CE2-CG2 3.7Å; Y306-I322 HydrophobicContact CG-CD1 4.14Å; Y306-I322 HydrophobicContact CG-CG2 4.19Å; Y306-L345 HydrophobicContact CD1-CD1 4.11Å; Y306-L345 HydrophobicContact CD1-CD2 3.87Å; Y306-L345 HydrophobicContact CE1-CD2 3.68Å
307	R	95.9	Very high	93.5	Very high	25 Å²	25	39.4 Å²	39.4	9%	0.094	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	162.9	167.5	67.4	172.8	-179	85.8	-5	110.6	P217 V223 E271 Y272	P217-R307 PolarHBondContact O-NH2 3.34Å; V223-R307 HydrophobicContact CB-CG 3.89Å; V223-R307 HydrophobicContact CG2-CG 4.32Å; V223-R307 VanDerWaalsContact CG2-NH2 3.28Å; V223-R307 PolarHBondContact N-O 2.91Å; V223-R307 PolarHBondContact O-N 3.49Å; E271-R307 VanDerWaalsContact O-CB 3.3Å; E271-R307 WeakPolarHBondContact O-CB 3.36Å; Y272-R307 HydrophobicContact CD1-CB 4.05Å; Y272-R307 HydrophobicContact CD1-CG 3.9Å; Y272-R307 HydrophobicContact CE1-CB 4.34Å; Y272-R307 HydrophobicContact CE1-CG 3.68Å; Y272-R307 HydrophobicContact CG-CB 4.36Å; Y272-R307 HydrophobicContact CG-CG 4.47Å; Y272-R307 PolarHBondContact OH-NE 3.24Å
308	K	95.2	Very high	93.2	Very high	97 Å²	97	37.5 Å²	37.5	42%	0.422	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	152.5	176.4	65.1	-171.9	-165.7	75.1	0	110.5	D221 Y222 L320 I322	D221-K308 CarbonylContact O-C 3.57Å; D221-K308 WeakPolarHBondContact O-CA 3.35Å; Y222-K308 HydrophobicContact CD1-CB 3.64Å; Y222-K308 HydrophobicContact CE1-CB 3.66Å; K308-L320 WeakPolarHBondContact CD-O 3.45Å; K308-L320 WeakPolarHBondContact CE-O 3.3Å; K308-L320 PolarHBondContact NZ-O 3.37Å; K308-I322 HydrophobicContact CB-CD1 4.14Å; K308-I322 HydrophobicContact CB-CG1 4.33Å; K308-I322 HydrophobicContact CD-CG1 4.22Å
309	A	93	Very high	92.9	Very high	8 Å²	8	39.4 Å²	39.4	7%	0.066	21%	0.209	C	C	.	.			trans	-67.8	165.6	162.2	0	0	0	0	0	110.1	D221 D311 L320	D221-A309 PolarHBondContact O-N 2.74Å; A309-D311 WeakPolarHBondContact CB-O 3.38Å; A309-L320 HydrophobicContact CB-CD1 3.96Å
310	V	88.2	Confident	92.7	Very high	127 Å²	127	39.4 Å²	39.4	77%	0.77	21%	0.209	S	C	*	.	S	Bend	trans	-63.9	-50.2	177.3	177.3	0	0	0	0	109.6
311	D	87.8	Confident	92.5	Very high	44 Å²	44	42.7 Å²	42.7	24%	0.235	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-133.6	167	177.4	60	-9.1	0	0	0	111.5	A309 R313 P316 G317 F318 L320	A309-D311 WeakPolarHBondContact CB-O 3.38Å; D311-R313 PolarHBondContact O-N 3.09Å; D311-P316 WeakPolarHBondContact OD2-CA 3.43Å; D311-G317 PolarHBondContact OD2-N 3.46Å; D311-F318 WeakPolarHBondContact CA-O 3.2Å; D311-L320 WeakPolarHBondContact O-CD1 3.4Å
312	S	88.7	Confident	92.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.23	C	C	.	.			trans	-60.1	124.6	174.1	164.7	0	0	0	0	110.4	D221 Q314 K315 F318 Y350	D221-S312 WeakPolarHBondContact OD1-CA 3.5Å; S312-Q314 VanDerWaalsContact C-N 3.26Å; S312-Q314 PolarHBondContact O-N 2.88Å; S312-K315 WeakPolarHBondContact CB-O 3.37Å; S312-K315 CarbonylContact O-C 3.58Å; S312-K315 PolarHBondContact O-N 2.96Å; S312-K315 VanDerWaalsContact O-N 3.14Å; S312-K315 PolarHBondContact OG-N 2.81Å; S312-F318 PolarHBondContact N-O 3.11Å; S312-Y350 WeakPolarHBondContact OG-CE1 3.2Å; S312-Y350 PolarHBondContact OG-OH 2.8Å; S312-Y350 VanDerWaalsContact OG-OH 3.09Å
313	R	85.9	Confident	92.4	Very high	125 Å²	125	47.7 Å²	47.7	47%	0.472	25%	0.247	S	C	.	.	S	Bend	trans	-61.7	-36.2	178.9	-60.4	-50	-168.1	171.7	5.3	112.6	G218 D221 D311	G218-R313 PolarHBondContact O-NH2 2.7Å; D221-R313 WeakPolarHBondContact OD1-CG 3.19Å; D221-R313 PolarHBondContact OD1-N 3.17Å; D311-R313 PolarHBondContact O-N 3.09Å
314	Q	85.9	Confident	92.4	Very high	121 Å²	121	49.1 Å²	49.1	57%	0.565	26%	0.257	S	S	*	.	S	Bend	trans	-82.9	-19.6	179.6	-175.5	166.3	-20.6	0	0	112.6	D177 G178 S312	D177-Q314 PolarHBondContact O-NE2 3.48Å; G178-Q314 VanDerWaalsContact CA-CD 3.44Å; S312-Q314 VanDerWaalsContact C-N 3.26Å; S312-Q314 PolarHBondContact O-N 2.88Å
315	K	87.2	Confident	92.2	Very high	75 Å²	75	54.9 Å²	54.9	33%	0.326	28%	0.282	S	S	.	.	S	Bend	trans	-138.5	79.7	178.8	-168.8	66.3	168.7	174.2	0	109.7	I37 S312 G317 F318 Y350	I37-K315 HydrophobicContact CD1-CD 4.26Å; I37-K315 HydrophobicContact CD1-CG 3.96Å; S312-K315 WeakPolarHBondContact CB-O 3.37Å; S312-K315 CarbonylContact O-C 3.58Å; S312-K315 PolarHBondContact O-N 2.96Å; S312-K315 VanDerWaalsContact O-N 3.14Å; S312-K315 PolarHBondContact OG-N 2.81Å; K315-G317 PolarHBondContact O-N 2.7Å; K315-F318 HydrophobicContact CB-CB 4.34Å; K315-F318 HydrophobicContact CG-CB 4.24Å; K315-F318 WeakPolarHBondContact O-CB 3.35Å; K315-F318 PolarHBondContact O-N 3.06Å; K315-Y350 HydrophobicContact CB-CE1 4.25Å; K315-Y350 HydrophobicContact CB-CE2 4.32Å; K315-Y350 WeakPolarHBondContact CB-OH 3.4Å
316	P	86.4	Confident	92.1	Very high	96 Å²	96	61.2 Å²	61.2	62%	0.623	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	141	179.4	-28.2	35.7	0	0	0	111.7	D311 F318	D311-P316 WeakPolarHBondContact OD2-CA 3.43Å; P316-F318 VanDerWaalsContact C-N 3.33Å; P316-F318 PolarHBondContact O-N 3.23Å
317	G	87	Confident	92.1	Very high	44 Å²	44	61.1 Å²	61.1	45%	0.454	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	88	-27.8	-172.7	0	0	0	0	0	115.2	F34 D311 K315 P319	F34-G317 VanDerWaalsContact CZ-C 3.42Å; F34-G317 WeakPolarHBondContact CZ-O 3.2Å; D311-G317 PolarHBondContact OD2-N 3.46Å; K315-G317 PolarHBondContact O-N 2.7Å; G317-P319 WeakPolarHBondContact O-CD 3.41Å
318	F	90.2	Very high	92.2	Very high	1 Å²	1	60.5 Å²	60.5	0%	0.004	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-66.3	119.2	178.6	179.4	-87.5	0	0	0	109.5	L29 F34 I37 P39 D311 S312 K315 P316 L320 Y350	L29-F318 HydrophobicContact CD1-CD2 4.46Å; L29-F318 HydrophobicContact CD1-CE2 4.03Å; L29-F318 HydrophobicContact CD2-CE2 4.27Å; F34-F318 HydrophobicContact CD1-CB 4.49Å; F34-F318 HydrophobicContact CD1-CD2 4.44Å; F34-F318 VanDerWaalsContact CE1-CA 3.48Å; F34-F318 HydrophobicContact CE1-CB 3.97Å; I37-F318 HydrophobicContact CG2-CD2 4.22Å; I37-F318 HydrophobicContact CG2-CE2 4.12Å; P39-F318 HydrophobicContact CB-CE2 4.07Å; P39-F318 HydrophobicContact CB-CZ 4.16Å; D311-F318 WeakPolarHBondContact CA-O 3.2Å; S312-F318 PolarHBondContact N-O 3.11Å; K315-F318 HydrophobicContact CB-CB 4.34Å; K315-F318 HydrophobicContact CG-CB 4.24Å; K315-F318 WeakPolarHBondContact O-CB 3.35Å; K315-F318 PolarHBondContact O-N 3.06Å; P316-F318 VanDerWaalsContact C-N 3.33Å; P316-F318 PolarHBondContact O-N 3.23Å; F318-L320 HydrophobicContact CD1-CD2 4.18Å; F318-L320 HydrophobicContact CE1-CD2 4.35Å; F318-L320 PolarHBondContact O-N 3.2Å; F318-Y350 AromaticContact CD1-CD1 3.63Å; F318-Y350 HydrophobicContact CD1-CD1 3.63Å; F318-Y350 HydrophobicContact CD1-CE1 4.03Å; F318-Y350 HydrophobicContact CD2-CD1 4.08Å; F318-Y350 HydrophobicContact CD2-CG 4.4Å; F318-Y350 AromaticContact CE1-CD1 3.61Å; F318-Y350 HydrophobicContact CE1-CD1 3.61Å; F318-Y350 HydrophobicContact CE1-CE1 4.39Å; F318-Y350 HydrophobicContact CE1-CG 4.47Å; F318-Y350 HydrophobicContact CE2-CD1 4.04Å; F318-Y350 HydrophobicContact CE2-CG 4.2Å; F318-Y350 AromaticContact CG-CD1 3.88Å; F318-Y350 HydrophobicContact CG-CD1 3.88Å; F318-Y350 HydrophobicContact CG-CE1 4.26Å; F318-Y350 AromaticContact CZ-CD1 3.81Å; F318-Y350 HydrophobicContact CZ-CD1 3.81Å; F318-Y350 HydrophobicContact CZ-CG 4.24Å
319	P	91.1	Very high	92.3	Very high	39 Å²	39	57.2 Å²	57.2	25%	0.253	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-70.5	130	-174.3	28.4	-33.7	0	0	0	110.3	L29 G317 T348	L29-P319 HydrophobicContact CD2-CG 3.6Å; G317-P319 WeakPolarHBondContact O-CD 3.41Å; P319-T348 PolarHBondContact O-OG1 2.87Å
320	L	94.1	Very high	92.5	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-94.8	127	169.6	-63.1	178.1	0	0	0	108.7	V179 D221 Y222 K308 A309 D311 F318 T348	V179-L320 HydrophobicContact CG2-CD2 4.39Å; D221-L320 HydrophobicContact CB-CD1 3.61Å; Y222-L320 HydrophobicContact CE1-CB 3.96Å; Y222-L320 HydrophobicContact CE2-CD2 3.91Å; Y222-L320 WeakPolarHBondContact OH-CA 3.34Å; Y222-L320 WeakPolarHBondContact OH-CB 3.36Å; K308-L320 WeakPolarHBondContact CD-O 3.45Å; K308-L320 WeakPolarHBondContact CE-O 3.3Å; K308-L320 PolarHBondContact NZ-O 3.37Å; A309-L320 HydrophobicContact CB-CD1 3.96Å; D311-L320 WeakPolarHBondContact O-CD1 3.4Å; F318-L320 HydrophobicContact CD1-CD2 4.18Å; F318-L320 HydrophobicContact CE1-CD2 4.35Å; F318-L320 PolarHBondContact O-N 3.2Å; L320-T348 WeakPolarHBondContact CA-OG1 3.41Å
321	E	95.5	Very high	92.8	Very high	69 Å²	69	54.7 Å²	54.7	32%	0.322	28%	0.28	S	S	.	.			trans	-124	152.4	177.3	-56	-177.6	137.9	0	0	110.9	Y41 Y222 F323 I347 T348	Y41-E321 PolarHBondContact OH-OE2 3.44Å; Y41-E321 VanDerWaalsContact OH-OE2 3.07Å; Y222-E321 PolarHBondContact OH-N 2.86Å; Y222-E321 PolarHBondContact OH-O 3.07Å; E321-F323 HydrophobicContact CB-CD2 4.45Å; E321-F323 HydrophobicContact CB-CE2 3.72Å; E321-F323 HydrophobicContact CB-CZ 4.05Å; E321-F323 HydrophobicContact CG-CE2 4.5Å; E321-F323 HydrophobicContact CG-CZ 4.48Å; E321-F323 WeakPolarHBondContact OE2-CE2 3.19Å; E321-F323 WeakPolarHBondContact OE2-CZ 3.37Å; E321-I347 WeakPolarHBondContact O-CA 3.43Å; E321-T348 HydrophobicContact CB-CG2 3.81Å; E321-T348 HydrophobicContact CG-CG2 4.24Å; E321-T348 PolarHBondContact N-OG1 2.81Å; E321-T348 PolarHBondContact O-N 3.09Å
322	I	97.2	Very high	93.1	Very high	22 Å²	22	59.1 Å²	59.1	11%	0.113	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	123.9	169.5	-56.6	-176.2	0	0	0	107.2	Y222 L224 Y306 K308 L345 M346 I347	Y222-I322 HydrophobicContact CD1-CD1 3.67Å; Y222-I322 HydrophobicContact CD1-CG1 3.8Å; Y222-I322 HydrophobicContact CE1-CD1 3.96Å; Y222-I322 HydrophobicContact CE1-CG1 3.53Å; L224-I322 HydrophobicContact CD2-CD1 4.31Å; Y306-I322 HydrophobicContact CD2-CB 4.17Å; Y306-I322 HydrophobicContact CD2-CD1 3.63Å; Y306-I322 HydrophobicContact CD2-CG2 3.74Å; Y306-I322 HydrophobicContact CE2-CB 4.13Å; Y306-I322 HydrophobicContact CE2-CD1 4.43Å; Y306-I322 HydrophobicContact CE2-CG2 3.7Å; Y306-I322 HydrophobicContact CG-CD1 4.14Å; Y306-I322 HydrophobicContact CG-CG2 4.19Å; K308-I322 HydrophobicContact CB-CD1 4.14Å; K308-I322 HydrophobicContact CB-CG1 4.33Å; K308-I322 HydrophobicContact CD-CG1 4.22Å; I322-L345 HydrophobicContact CG2-CB 4.36Å; I322-L345 HydrophobicContact CG2-CD1 4.47Å; I322-L345 HydrophobicContact CG2-CD2 4.06Å; I322-M346 CarbonylContact C-O 3.59Å; I322-M346 WeakPolarHBondContact CA-O 3.11Å; I322-I347 HydrophobicContact CB-CG2 4.41Å; I322-I347 HydrophobicContact CD1-CG2 4.43Å; I322-I347 HydrophobicContact CG1-CG2 3.9Å; I322-I347 HydrophobicContact CG2-CG2 4.17Å
323	F	97.3	Very high	93.4	Very high	84 Å²	84	59.1 Å²	59.1	37%	0.368	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.6	173	-59.8	-75.9	0	0	0	109.7	Y41 E321 F325 L345 M346	Y41-F323 AromaticContact CE1-CD2 4Å; Y41-F323 HydrophobicContact CE1-CD2 4Å; Y41-F323 AromaticContact CE1-CE2 3.7Å; Y41-F323 HydrophobicContact CE1-CE2 3.7Å; E321-F323 HydrophobicContact CB-CD2 4.45Å; E321-F323 HydrophobicContact CB-CE2 3.72Å; E321-F323 HydrophobicContact CB-CZ 4.05Å; E321-F323 HydrophobicContact CG-CE2 4.5Å; E321-F323 HydrophobicContact CG-CZ 4.48Å; E321-F323 WeakPolarHBondContact OE2-CE2 3.19Å; E321-F323 WeakPolarHBondContact OE2-CZ 3.37Å; F323-F325 HydrophobicContact CB-CE2 3.67Å; F323-F325 HydrophobicContact CB-CZ 3.96Å; F323-F325 WeakPolarHBondContact O-CD2 3.14Å; F323-L345 CarbonylContact O-C 3.58Å; F323-L345 VanDerWaalsContact O-CA 3.22Å; F323-L345 WeakPolarHBondContact O-CA 3.45Å; F323-M346 PolarHBondContact N-O 3.25Å; F323-M346 PolarHBondContact O-N 3.21Å
324	S	97.7	Very high	93.9	Very high	31 Å²	31	55.6 Å²	55.6	22%	0.217	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	128.4	171.6	-176.1	0	0	0	0	109.5	D275 N343	D275-S324 WeakPolarHBondContact CB-OG 3.5Å; D275-S324 VanDerWaalsContact CG-OG 3.28Å; D275-S324 WeakPolarHBondContact OD2-CB 3.48Å; D275-S324 PolarHBondContact OD2-OG 3.14Å; S324-N343 PolarHBondContact OG-ND2 3.22Å; S324-N343 PolarHBondContact OG-OD1 3.29Å
325	F	94.9	Very high	94.2	Very high	121 Å²	121	50.9 Å²	50.9	53%	0.531	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-35.4	-178.9	-70	-88	0	0	0	113	F323 T344 M346	F323-F325 HydrophobicContact CB-CE2 3.67Å; F323-F325 HydrophobicContact CB-CZ 3.96Å; F323-F325 WeakPolarHBondContact O-CD2 3.14Å; F325-T344 HydrophobicContact CB-CG2 4.22Å; F325-T344 PolarHBondContact N-O 3.39Å; F325-M346 HydrophobicContact CD2-CG 4.11Å; F325-M346 HydrophobicContact CD2-SD 4.43Å; F325-M346 HydrophobicContact CE1-SD 4.35Å; F325-M346 HydrophobicContact CE2-CB 3.64Å; F325-M346 HydrophobicContact CE2-CE 4.31Å; F325-M346 HydrophobicContact CE2-CG 3.32Å; F325-M346 HydrophobicContact CE2-SD 3.4Å; F325-M346 WeakPolarHBondContact CE2-SD 3.29Å; F325-M346 HydrophobicContact CZ-CB 4.36Å; F325-M346 HydrophobicContact CZ-CE 4.02Å; F325-M346 HydrophobicContact CZ-CG 3.95Å; F325-M346 HydrophobicContact CZ-SD 3.33Å; F325-M346 WeakPolarHBondContact CZ-SD 3.34Å
326	Q	95.9	Very high	94.6	Very high	133 Å²	133	47.3 Å²	47.3	62%	0.621	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154.8	105	-174.6	-173	172.7	10.1	0	0	109.6	N343 T344	Q326-N343 CarbonylContact O-C 3.45Å; Q326-N343 VanDerWaalsContact O-CA 3.3Å; Q326-N343 WeakPolarHBondContact O-CA 3.36Å; Q326-N343 PolarHBondContact O-OD1 2.91Å; Q326-T344 PolarHBondContact O-N 3.17Å
327	Y	98.3	Very high	95.1	Very high	20 Å²	20	43 Å²	43	8%	0.078	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	116.7	172.3	-174.1	-144.9	0	0	0	110.1	E274 D275 I277 F279 V304 V341 S342 N343	E274-Y327 HydrophobicContact CG-CE1 3.7Å; E274-Y327 PolarHBondContact OE1-OH 3.24Å; D275-Y327 HydrophobicContact CB-CD1 3.79Å; D275-Y327 HydrophobicContact CB-CG 4.12Å; D275-Y327 WeakPolarHBondContact O-CD1 3.05Å; D275-Y327 WeakPolarHBondContact O-CE1 2.98Å; I277-Y327 HydrophobicContact CD1-CE1 4.43Å; I277-Y327 HydrophobicContact CG1-CD1 4.31Å; I277-Y327 HydrophobicContact CG1-CE1 3.65Å; F279-Y327 HydrophobicContact CE1-CD1 4.07Å; F279-Y327 HydrophobicContact CE1-CE1 4.23Å; F279-Y327 HydrophobicContact CE1-CG 4.29Å; F279-Y327 HydrophobicContact CZ-CE1 4.29Å; V304-Y327 HydrophobicContact CB-CE2 3.85Å; V304-Y327 HydrophobicContact CG2-CE2 4.14Å; V304-Y327 PolarHBondContact N-OH 3.08Å; V304-Y327 VanDerWaalsContact N-OH 3.1Å; Y327-V341 HydrophobicContact CD2-CG1 4.21Å; Y327-V341 HydrophobicContact CE2-CG1 3.5Å; Y327-S342 WeakPolarHBondContact CA-O 3.48Å; Y327-S342 VanDerWaalsContact CD2-O 3.3Å; Y327-S342 WeakPolarHBondContact CD2-O 3.49Å; Y327-N343 HydrophobicContact CD2-CB 3.74Å; Y327-N343 HydrophobicContact CE2-CB 4.38Å; Y327-N343 HydrophobicContact CG-CB 4.47Å
328	G	98	Very high	95.6	Very high	13 Å²	13	41.2 Å²	41.2	13%	0.134	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179	171.7	-178.7	0	0	0	0	0	115.7	S342	G328-S342 PolarHBondContact N-O 2.83Å; G328-S342 PolarHBondContact O-N 2.96Å; G328-S342 PolarHBondContact O-OG 2.91Å
329	P	97.9	Very high	96	Very high	27 Å²	27	41.2 Å²	41.2	18%	0.175	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	156.6	-174.9	36.5	-35.6	0	0	0	112.9	F279 T282 M331 P340	F279-P329 HydrophobicContact CB-CG 3.86Å; F279-P329 HydrophobicContact CD2-CB 4.43Å; F279-P329 HydrophobicContact CD2-CG 3.74Å; F279-P329 HydrophobicContact CE2-CG 4.46Å; F279-P329 HydrophobicContact CG-CG 3.91Å; T282-P329 HydrophobicContact CG2-CB 3.63Å; T282-P329 HydrophobicContact CG2-CG 4.32Å; P329-M331 HydrophobicContact CB-CG 4.41Å; P329-M331 HydrophobicContact CB-SD 3.95Å; P329-M331 HydrophobicContact CG-CG 3.94Å; P329-M331 HydrophobicContact CG-SD 3.75Å; P329-M331 PolarHBondContact O-N 2.82Å; P329-P340 CarbonylContact C-O 3.56Å; P329-P340 WeakPolarHBondContact CA-O 3.48Å
330	F	96.9	Very high	96.3	Very high	31 Å²	31	39.3 Å²	39.3	14%	0.136	20%	0.198	C	C	.	.			trans	-95.4	80.9	168.2	-62	-61.4	0	0	0	110.2	I47 F66 N332 V333 P340 S342	I47-F330 HydrophobicContact CD1-CE2 4.32Å; I47-F330 HydrophobicContact CG1-CE2 4.4Å; I47-F330 HydrophobicContact CG2-CE2 4.32Å; F66-F330 HydrophobicContact CB-CD1 4.33Å; F66-F330 HydrophobicContact CB-CD2 4.27Å; F66-F330 HydrophobicContact CB-CE1 3.9Å; F66-F330 HydrophobicContact CB-CE2 3.83Å; F66-F330 HydrophobicContact CB-CZ 3.63Å; F66-F330 HydrophobicContact CD1-CB 4.01Å; F66-F330 HydrophobicContact CD1-CD1 4.1Å; F66-F330 AromaticContact CD1-CD2 3.28Å; F66-F330 HydrophobicContact CD1-CD2 3.28Å; F66-F330 HydrophobicContact CD1-CE1 4.43Å; F66-F330 AromaticContact CD1-CE2 3.67Å; F66-F330 HydrophobicContact CD1-CE2 3.67Å; F66-F330 AromaticContact CD1-CG 3.54Å; F66-F330 HydrophobicContact CD1-CG 3.54Å; F66-F330 HydrophobicContact CD1-CZ 4.25Å; F66-F330 HydrophobicContact CD2-CE2 4.36Å; F66-F330 HydrophobicContact CE1-CB 4.24Å; F66-F330 AromaticContact CE1-CD2 3.68Å; F66-F330 HydrophobicContact CE1-CD2 3.68Å; F66-F330 HydrophobicContact CE1-CE2 4.3Å; F66-F330 HydrophobicContact CE1-CG 4.11Å; F66-F330 AromaticContact CG-CD2 3.85Å; F66-F330 HydrophobicContact CG-CD2 3.85Å; F66-F330 HydrophobicContact CG-CE1 4.49Å; F66-F330 AromaticContact CG-CE2 3.71Å; F66-F330 HydrophobicContact CG-CE2 3.71Å; F66-F330 HydrophobicContact CG-CG 4.31Å; F66-F330 HydrophobicContact CG-CZ 4.07Å; F66-F330 HydrophobicContact CZ-CD2 4.48Å; F66-F330 VanDerWaalsContact O-CE1 3.26Å; F66-F330 WeakPolarHBondContact O-CE1 3.43Å; F330-N332 PolarHBondContact O-N 3.49Å; F330-V333 HydrophobicContact CB-CG2 3.77Å; F330-V333 WeakPolarHBondContact O-CB 3.43Å; F330-V333 WeakPolarHBondContact O-CG2 3.33Å; F330-V333 PolarHBondContact O-N 2.96Å; F330-V333 VanDerWaalsContact O-N 3.11Å; F330-P340 HydrophobicContact CB-CB 4.38Å; F330-P340 HydrophobicContact CB-CG 4.41Å; F330-P340 HydrophobicContact CD2-CB 4.04Å; F330-P340 PolarHBondContact N-O 2.78Å; F330-S342 WeakPolarHBondContact CE2-OG 3.31Å; F330-S342 WeakPolarHBondContact CZ-OG 3.18Å
331	M	95.2	Very high	96.6	Very high	51 Å²	51	39.3 Å²	39.3	25%	0.251	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-26.7	-172	-65.9	-58.2	-72.6	0	0	114.6	N280 Y285 P329 V333 L334 K339	N280-M331 HydrophobicContact CB-CE 4.44Å; Y285-M331 HydrophobicContact CE1-CE 4.04Å; Y285-M331 WeakPolarHBondContact OH-CE 3.48Å; P329-M331 HydrophobicContact CB-CG 4.41Å; P329-M331 HydrophobicContact CB-SD 3.95Å; P329-M331 HydrophobicContact CG-CG 3.94Å; P329-M331 HydrophobicContact CG-SD 3.75Å; P329-M331 PolarHBondContact O-N 2.82Å; M331-V333 PolarHBondContact O-N 3Å; M331-L334 WeakPolarHBondContact O-CD2 3.34Å; M331-K339 HydrophobicContact CE-CG 4.33Å; M331-K339 PolarHBondContact O-NZ 2.92Å; M331-K339 HydrophobicContact SD-CB 4.21Å; M331-K339 HydrophobicContact SD-CG 3.9Å
332	N	93.6	Very high	96.7	Very high	137 Å²	137	36.2 Å²	36.2	73%	0.733	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-2	178.7	-65.4	-15.7	0	0	0	113.2	F330	F330-N332 PolarHBondContact O-N 3.49Å
333	V	95.6	Very high	96.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.			trans	-86.8	111.8	173.2	-176.6	0	0	0	0	108.6	Y49 F61 M65 F66 F330 M331 K339 P340	Y49-V333 HydrophobicContact CE1-CG1 4.05Å; Y49-V333 HydrophobicContact CE2-CG1 4.45Å; Y49-V333 WeakPolarHBondContact OH-CG1 3.26Å; F61-V333 HydrophobicContact CD2-CG1 4.16Å; F61-V333 HydrophobicContact CE2-CG1 4.13Å; M65-V333 HydrophobicContact CE-CB 3.89Å; M65-V333 HydrophobicContact CE-CG1 4.16Å; M65-V333 HydrophobicContact CE-CG2 3.44Å; M65-V333 VanDerWaalsContact CE-CG2 3.44Å; F66-V333 HydrophobicContact CD1-CG2 4.32Å; F66-V333 HydrophobicContact CE1-CG2 3.77Å; F330-V333 HydrophobicContact CB-CG2 3.77Å; F330-V333 WeakPolarHBondContact O-CB 3.43Å; F330-V333 WeakPolarHBondContact O-CG2 3.33Å; F330-V333 PolarHBondContact O-N 2.96Å; F330-V333 VanDerWaalsContact O-N 3.11Å; M331-V333 PolarHBondContact O-N 3Å; V333-K339 VanDerWaalsContact O-CD 3.25Å; V333-K339 WeakPolarHBondContact O-CD 3.17Å; V333-K339 PolarHBondContact O-NZ 2.86Å; V333-P340 HydrophobicContact CB-CG 3.82Å; V333-P340 HydrophobicContact CG1-CG 3.77Å; V333-P340 HydrophobicContact CG2-CG 3.83Å
334	L	95.1	Very high	96.8	Very high	51 Å²	51	31.4 Å²	31.4	27%	0.267	16%	0.163	S	C	.	.			trans	-110.1	-12.2	-166.4	-50.2	-174.5	0	0	0	114.4	G288 S290 M331 S336 K339	G288-L334 WeakPolarHBondContact CA-O 3.42Å; G288-L334 PolarHBondContact N-O 2.87Å; S290-L334 WeakPolarHBondContact OG-CD2 3.47Å; M331-L334 WeakPolarHBondContact O-CD2 3.34Å; L334-S336 VanDerWaalsContact C-N 3.26Å; L334-S336 PolarHBondContact O-N 2.87Å; L334-K339 VanDerWaalsContact CD2-NZ 3.29Å
335	C	92.6	Very high	96.9	Very high	23 Å²	23	30 Å²	30	16%	0.155	15%	0.153	C	C	.	.	S	Bend	trans	-75.4	-6.8	-167.5	54.6	0	0	0	0	116.2	Y49 P58	Y49-C335 PolarHBondContact OH-SG 3.36Å; P58-C335 HydrophobicContact CG-CB 3.5Å; P58-C335 VanDerWaalsContact CG-CB 3.5Å
336	S	95.8	Very high	97	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-121.8	162.9	179.7	178.9	0	0	0	0	109.8	Y49 N50 H52 L334 H338	Y49-S336 WeakPolarHBondContact OH-CB 3.45Å; N50-S336 WeakPolarHBondContact O-CB 3.26Å; N50-S336 PolarHBondContact O-OG 2.78Å; H52-S336 WeakPolarHBondContact CB-OG 3.43Å; L334-S336 VanDerWaalsContact C-N 3.26Å; L334-S336 PolarHBondContact O-N 2.87Å; S336-H338 PolarHBondContact O-N 2.88Å; S336-H338 PolarHBondContact OG-N 2.74Å; S336-H338 VanDerWaalsContact OG-N 3.13Å
337	D	96.8	Very high	97	Very high	6 Å²	6	20 Å²	20	3%	0.032	11%	0.109	C	C	.	.	S	Bend	trans	-76.3	-6.2	167	65.5	-20.5	0	0	0	112.7	H52 K284 Y285 P287	H52-D337 VanDerWaalsContact CB-OD1 3.29Å; H52-D337 WeakPolarHBondContact CB-OD1 3.32Å; H52-D337 IonicContact CE1-OD1 3.5Å; H52-D337 IonicContact CE1-OD2 3.71Å; H52-D337 PolarHBondContact CE1-OD2 3.03Å; H52-D337 IonicContact CG-OD1 3.41Å; H52-D337 IonicContact ND1-OD1 2.66Å; H52-D337 PolarHBondContact ND1-OD1 3.09Å; H52-D337 IonicContact ND1-OD2 2.94Å; H52-D337 PolarHBondContact ND1-OD2 3.49Å; K284-D337 WeakPolarHBondContact CE-OD2 3.39Å; K284-D337 HydrophobicContact CG-CB 3.87Å; Y285-D337 PolarHBondContact N-O 3.33Å; Y285-D337 VanDerWaalsContact O-CA 3.29Å; Y285-D337 WeakPolarHBondContact O-CA 2.97Å; Y285-D337 WeakPolarHBondContact O-CB 3.15Å; P287-D337 HydrophobicContact CG-CB 4.18Å
338	H	98.2	Very high	96.9	Very high	6 Å²	6	19.5 Å²	19.5	3%	0.028	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-104	153.6	166.8	-69.5	-114.3	0	0	0	112.1	N50 D228 T282 Y283 D302 S336	N50-H338 HydrophobicContact CB-CB 4.1Å; D228-H338 IonicContact OD2-CE1 3.69Å; T282-H338 CarbonylContact O-C 3.36Å; T282-H338 WeakPolarHBondContact O-CA 3.49Å; Y283-H338 AromaticContact CD2-CD2 3.6Å; Y283-H338 AromaticContact CD2-CE1 3.4Å; Y283-H338 WeakPolarHBondContact CD2-CE1 3.46Å; Y283-H338 AromaticContact CD2-CG 3.96Å; Y283-H338 AromaticContact CD2-ND1 3.85Å; Y283-H338 AromaticContact CD2-NE2 3.2Å; Y283-H338 WeakPolarHBondContact CD2-NE2 3.25Å; Y283-H338 AromaticContact CE2-NE2 3.49Å; Y283-H338 WeakPolarHBondContact CE2-NE2 3.33Å; Y283-H338 AromaticContact CG-CE1 3.93Å; D302-H338 IonicContact OD2-CE1 2.68Å; D302-H338 IonicContact OD2-CG 3.62Å; D302-H338 IonicContact OD2-ND1 3.1Å; D302-H338 PolarHBondContact OD2-ND1 3.43Å; S336-H338 PolarHBondContact O-N 2.88Å; S336-H338 PolarHBondContact OG-N 2.74Å; S336-H338 VanDerWaalsContact OG-N 3.13Å
339	K	98.1	Very high	96.7	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-101.8	133.4	166.5	-54.6	-62.5	177	174.5	0	109.3	T282 Y285 T289 M331 V333 L334	T282-K339 HydrophobicContact CG2-CB 4.1Å; T282-K339 PolarHBondContact O-N 2.77Å; Y285-K339 HydrophobicContact CD2-CD 4.34Å; Y285-K339 HydrophobicContact CD2-CG 3.8Å; Y285-K339 HydrophobicContact CE2-CD 4.48Å; Y285-K339 HydrophobicContact CE2-CG 3.61Å; Y285-K339 VanDerWaalsContact CG-CE 3.49Å; Y285-K339 HydrophobicContact CG-CG 4.42Å; T289-K339 PolarHBondContact O-NZ 3Å; M331-K339 HydrophobicContact CE-CG 4.33Å; M331-K339 PolarHBondContact O-NZ 2.92Å; M331-K339 HydrophobicContact SD-CB 4.21Å; M331-K339 HydrophobicContact SD-CG 3.9Å; V333-K339 VanDerWaalsContact O-CD 3.25Å; V333-K339 WeakPolarHBondContact O-CD 3.17Å; V333-K339 PolarHBondContact O-NZ 2.86Å; L334-K339 VanDerWaalsContact CD2-NZ 3.29Å
340	P	98.3	Very high	96.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.094	C	C	.	.	P	Polyproline II helix	trans	-60	141.8	175.1	-17.3	27.7	0	0	0	110.9	T48 Y49 F66 P329 F330 V333	T48-P340 CarbonylContact O-C 3.57Å; T48-P340 VanDerWaalsContact O-CA 3.29Å; T48-P340 WeakPolarHBondContact O-CA 3.29Å; Y49-P340 HydrophobicContact CD1-CG 3.92Å; Y49-P340 HydrophobicContact CD2-CB 3.99Å; Y49-P340 HydrophobicContact CD2-CG 3.5Å; Y49-P340 VanDerWaalsContact CD2-CG 3.5Å; Y49-P340 HydrophobicContact CE1-CG 4.11Å; Y49-P340 HydrophobicContact CE2-CG 3.71Å; Y49-P340 HydrophobicContact CG-CB 3.94Å; Y49-P340 HydrophobicContact CG-CG 3.61Å; F66-P340 HydrophobicContact CE1-CB 4.32Å; F66-P340 HydrophobicContact CE1-CG 4.1Å; F66-P340 HydrophobicContact CZ-CG 4.43Å; P329-P340 CarbonylContact C-O 3.56Å; P329-P340 WeakPolarHBondContact CA-O 3.48Å; F330-P340 HydrophobicContact CB-CB 4.38Å; F330-P340 HydrophobicContact CB-CG 4.41Å; F330-P340 HydrophobicContact CD2-CB 4.04Å; F330-P340 PolarHBondContact N-O 2.78Å; V333-P340 HydrophobicContact CB-CG 3.82Å; V333-P340 HydrophobicContact CG1-CG 3.77Å; V333-P340 HydrophobicContact CG2-CG 3.83Å
341	V	98.7	Very high	96.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	141.3	174.4	176	0	0	0	0	108.9	I47 T48 F279 T282 D302 V304 Y327	I47-V341 WeakPolarHBondContact CA-O 3.43Å; T48-V341 HydrophobicContact CG2-CB 3.93Å; T48-V341 PolarHBondContact N-O 2.85Å; T48-V341 PolarHBondContact O-N 2.84Å; F279-V341 HydrophobicContact CZ-CG1 4.46Å; T282-V341 HydrophobicContact CG2-CG2 3.54Å; D302-V341 HydrophobicContact CB-CB 4.26Å; D302-V341 HydrophobicContact CB-CG2 3.88Å; V304-V341 HydrophobicContact CG2-CG1 4.37Å; Y327-V341 HydrophobicContact CD2-CG1 4.21Å; Y327-V341 HydrophobicContact CE2-CG1 3.5Å
342	S	98.5	Very high	95.8	Very high	4 Å²	4	17.3 Å²	17.3	3%	0.028	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	150.4	175.8	71.5	0	0	0	0	112.9	I46 Y327 G328 F330	I46-S342 CarbonylContact O-C 3.04Å; I46-S342 WeakPolarHBondContact O-CA 3.28Å; I46-S342 VanDerWaalsContact O-CB 3.28Å; I46-S342 WeakPolarHBondContact O-CB 3.06Å; Y327-S342 WeakPolarHBondContact CA-O 3.48Å; Y327-S342 VanDerWaalsContact CD2-O 3.3Å; Y327-S342 WeakPolarHBondContact CD2-O 3.49Å; G328-S342 PolarHBondContact N-O 2.83Å; G328-S342 PolarHBondContact O-N 2.96Å; G328-S342 PolarHBondContact O-OG 2.91Å; F330-S342 WeakPolarHBondContact CE2-OG 3.31Å; F330-S342 WeakPolarHBondContact CZ-OG 3.18Å
343	N	98.7	Very high	95.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	129.5	165.5	-161.4	-27	0	0	0	110.3	I46 V304 S324 Q326 Y327 L345	I46-N343 PolarHBondContact N-O 2.97Å; I46-N343 PolarHBondContact O-N 2.79Å; V304-N343 HydrophobicContact CB-CB 3.9Å; V304-N343 HydrophobicContact CG1-CB 3.65Å; V304-N343 HydrophobicContact CG2-CB 4.3Å; S324-N343 PolarHBondContact OG-ND2 3.22Å; S324-N343 PolarHBondContact OG-OD1 3.29Å; Q326-N343 CarbonylContact O-C 3.45Å; Q326-N343 VanDerWaalsContact O-CA 3.3Å; Q326-N343 WeakPolarHBondContact O-CA 3.36Å; Q326-N343 PolarHBondContact O-OD1 2.91Å; Y327-N343 HydrophobicContact CD2-CB 3.74Å; Y327-N343 HydrophobicContact CE2-CB 4.38Å; Y327-N343 HydrophobicContact CG-CB 4.47Å; N343-L345 HydrophobicContact CB-CD2 4.47Å; N343-L345 WeakPolarHBondContact OD1-CD2 3.23Å
344	T	98.2	Very high	94.4	Very high	6 Å²	6	21.8 Å²	21.8	4%	0.037	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	117	170	-62.9	0	0	0	0	110.3	F76 F325 Q326	F76-T344 HydrophobicContact CD1-CG2 4.44Å; F76-T344 HydrophobicContact CE1-CG2 3.67Å; F325-T344 HydrophobicContact CB-CG2 4.22Å; F325-T344 PolarHBondContact N-O 3.39Å; Q326-T344 PolarHBondContact O-N 3.17Å
345	L	98.4	Very high	93.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	145.2	-176.5	-55.2	175.6	0	0	0	110.7	K43 T44 I46 L224 Y306 I322 F323 N343 I347	K43-L345 CarbonylContact C-O 3.53Å; K43-L345 WeakPolarHBondContact CA-O 3.36Å; T44-L345 PolarHBondContact N-O 3.12Å; T44-L345 PolarHBondContact O-N 2.76Å; I46-L345 HydrophobicContact CG1-CD1 4.35Å; L224-L345 HydrophobicContact CD1-CD1 4.21Å; L224-L345 HydrophobicContact CD2-CD1 3.88Å; Y306-L345 HydrophobicContact CD1-CD1 4.11Å; Y306-L345 HydrophobicContact CD1-CD2 3.87Å; Y306-L345 HydrophobicContact CE1-CD2 3.68Å; I322-L345 HydrophobicContact CG2-CB 4.36Å; I322-L345 HydrophobicContact CG2-CD1 4.47Å; I322-L345 HydrophobicContact CG2-CD2 4.06Å; F323-L345 CarbonylContact O-C 3.58Å; F323-L345 VanDerWaalsContact O-CA 3.22Å; F323-L345 WeakPolarHBondContact O-CA 3.45Å; N343-L345 HydrophobicContact CB-CD2 4.47Å; N343-L345 WeakPolarHBondContact OD1-CD2 3.23Å; L345-I347 HydrophobicContact CB-CG2 4.48Å
346	M	97.6	Very high	93.1	Very high	44 Å²	44	23.6 Å²	23.6	22%	0.217	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.4	156.8	-71.4	175.1	21.7	0	0	109.2	Y41 K43 I322 F323 F325	Y41-M346 HydrophobicContact CD1-CB 4.21Å; Y41-M346 HydrophobicContact CD1-CE 3.64Å; Y41-M346 HydrophobicContact CD2-CE 4.22Å; Y41-M346 HydrophobicContact CE1-CE 4.21Å; Y41-M346 HydrophobicContact CG-CE 3.62Å; K43-M346 HydrophobicContact CB-CG 4.17Å; K43-M346 HydrophobicContact CG-CG 4.21Å; I322-M346 CarbonylContact C-O 3.59Å; I322-M346 WeakPolarHBondContact CA-O 3.11Å; F323-M346 PolarHBondContact N-O 3.25Å; F323-M346 PolarHBondContact O-N 3.21Å; F325-M346 HydrophobicContact CD2-CG 4.11Å; F325-M346 HydrophobicContact CD2-SD 4.43Å; F325-M346 HydrophobicContact CE1-SD 4.35Å; F325-M346 HydrophobicContact CE2-CB 3.64Å; F325-M346 HydrophobicContact CE2-CE 4.31Å; F325-M346 HydrophobicContact CE2-CG 3.32Å; F325-M346 HydrophobicContact CE2-SD 3.4Å; F325-M346 WeakPolarHBondContact CE2-SD 3.29Å; F325-M346 HydrophobicContact CZ-CB 4.36Å; F325-M346 HydrophobicContact CZ-CE 4.02Å; F325-M346 HydrophobicContact CZ-CG 3.95Å; F325-M346 HydrophobicContact CZ-SD 3.33Å; F325-M346 WeakPolarHBondContact CZ-SD 3.34Å
347	I	96.8	Very high	92.7	Very high	2 Å²	2	26 Å²	26	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	137.2	178.6	63.9	-177.8	0	0	0	109.9	W42 V181 Y222 E321 I322 L345	W42-I347 HydrophobicContact CB-CG1 3.84Å; W42-I347 HydrophobicContact CE3-CD1 4.01Å; W42-I347 PolarHBondContact N-O 3.36Å; W42-I347 WeakPolarHBondContact O-CG1 3.36Å; W42-I347 PolarHBondContact O-N 3.26Å; W42-I347 VanDerWaalsContact O-N 3.09Å; V181-I347 HydrophobicContact CG1-CD1 4.3Å; V181-I347 HydrophobicContact CG2-CD1 3.63Å; Y222-I347 HydrophobicContact CE1-CB 4.47Å; Y222-I347 HydrophobicContact CE2-CB 4.31Å; E321-I347 WeakPolarHBondContact O-CA 3.43Å; I322-I347 HydrophobicContact CB-CG2 4.41Å; I322-I347 HydrophobicContact CD1-CG2 4.43Å; I322-I347 HydrophobicContact CG1-CG2 3.9Å; I322-I347 HydrophobicContact CG2-CG2 4.17Å; L345-I347 HydrophobicContact CB-CG2 4.48Å
348	T	95.4	Very high	92.4	Very high	8 Å²	8	26.8 Å²	26.8	5%	0.049	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	142.1	177.9	49.6	0	0	0	0	111.4	F40 Y41 Y222 P319 L320 E321	F40-T348 CarbonylContact O-C 3.59Å; Y41-T348 HydrophobicContact CD1-CG2 3.73Å; Y41-T348 HydrophobicContact CE1-CG2 3.19Å; Y222-T348 WeakPolarHBondContact CE2-O 3.33Å; Y222-T348 PolarHBondContact OH-N 3.12Å; Y222-T348 PolarHBondContact OH-O 3.38Å; Y222-T348 PolarHBondContact OH-OG1 2.89Å; P319-T348 PolarHBondContact O-OG1 2.87Å; L320-T348 WeakPolarHBondContact CA-OG1 3.41Å; E321-T348 HydrophobicContact CB-CG2 3.81Å; E321-T348 HydrophobicContact CG-CG2 4.24Å; E321-T348 PolarHBondContact N-OG1 2.81Å; E321-T348 PolarHBondContact O-N 3.09Å
349	S	94.1	Very high	92.3	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.014	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	-179.3	168.1	-170.7	0	0	0	0	109.2	P39 F40	P39-S349 CarbonylContact C-O 3.6Å; P39-S349 WeakPolarHBondContact CA-O 3.47Å; F40-S349 VanDerWaalsContact CZ-CB 3.4Å; F40-S349 WeakPolarHBondContact CZ-OG 3.15Å; F40-S349 PolarHBondContact N-O 3.36Å; F40-S349 PolarHBondContact O-N 2.79Å; F40-S349 VanDerWaalsContact O-O 3.1Å
350	Y	92.2	Very high	92.1	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	154.7	178.9	62.9	-89.7	0	0	0	112.7	I37 L38 D177 V179 S312 K315 F318 L352	I37-Y350 HydrophobicContact CG2-CD2 4.04Å; I37-Y350 HydrophobicContact CG2-CG 3.96Å; L38-Y350 VanDerWaalsContact O-CA 3.3Å; L38-Y350 WeakPolarHBondContact O-CA 3.49Å; D177-Y350 HydrophobicContact CB-CE2 4.44Å; D177-Y350 PolarHBondContact N-O 2.87Å; D177-Y350 VanDerWaalsContact N-O 3.16Å; V179-Y350 HydrophobicContact CG2-CD1 3.63Å; V179-Y350 HydrophobicContact CG2-CE1 3.36Å; S312-Y350 WeakPolarHBondContact OG-CE1 3.2Å; S312-Y350 PolarHBondContact OG-OH 2.8Å; S312-Y350 VanDerWaalsContact OG-OH 3.09Å; K315-Y350 HydrophobicContact CB-CE1 4.25Å; K315-Y350 HydrophobicContact CB-CE2 4.32Å; K315-Y350 WeakPolarHBondContact CB-OH 3.4Å; F318-Y350 AromaticContact CD1-CD1 3.63Å; F318-Y350 HydrophobicContact CD1-CD1 3.63Å; F318-Y350 HydrophobicContact CD1-CE1 4.03Å; F318-Y350 HydrophobicContact CD2-CD1 4.08Å; F318-Y350 HydrophobicContact CD2-CG 4.4Å; F318-Y350 AromaticContact CE1-CD1 3.61Å; F318-Y350 HydrophobicContact CE1-CD1 3.61Å; F318-Y350 HydrophobicContact CE1-CE1 4.39Å; F318-Y350 HydrophobicContact CE1-CG 4.47Å; F318-Y350 HydrophobicContact CE2-CD1 4.04Å; F318-Y350 HydrophobicContact CE2-CG 4.2Å; F318-Y350 AromaticContact CG-CD1 3.88Å; F318-Y350 HydrophobicContact CG-CD1 3.88Å; F318-Y350 HydrophobicContact CG-CE1 4.26Å; F318-Y350 AromaticContact CZ-CD1 3.81Å; F318-Y350 HydrophobicContact CZ-CD1 3.81Å; F318-Y350 HydrophobicContact CZ-CG 4.24Å; Y350-L352 HydrophobicContact CD2-CD2 4.18Å; Y350-L352 HydrophobicContact CE2-CD2 4.14Å
351	L	90.8	Very high	92	Very high	19 Å²	19	30.2 Å²	30.2	10%	0.099	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	147.7	162.8	-61.6	171	0	0	0	108.5	L38 F40 Y146 D177	L38-L351 HydrophobicContact CB-CB 4.36Å; L38-L351 PolarHBondContact N-O 2.88Å; L38-L351 PolarHBondContact O-N 3.19Å; F40-L351 HydrophobicContact CD1-CG 4.3Å; F40-L351 HydrophobicContact CE1-CD2 4.38Å; F40-L351 HydrophobicContact CE1-CG 3.9Å; Y146-L351 HydrophobicContact CD1-CD1 4.1Å; Y146-L351 HydrophobicContact CD1-CD2 3.79Å; Y146-L351 HydrophobicContact CE1-CD1 3.66Å; Y146-L351 HydrophobicContact CE1-CD2 4.16Å; D177-L351 VanDerWaalsContact OD2-CA 3.24Å; D177-L351 WeakPolarHBondContact OD2-CA 3.42Å
352	L	87.6	Confident	91.9	Very high	54 Å²	54	31.3 Å²	31.3	28%	0.283	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	137.7	167.2	-52.9	172.4	0	0	0	108.1	G36 I37 D177 Y350 S354 S355	G36-L352 CarbonylContact O-C 3.6Å; G36-L352 WeakPolarHBondContact O-CA 3.14Å; I37-L352 HydrophobicContact CG1-CD2 4.09Å; D177-L352 HydrophobicContact CB-CD1 4.3Å; D177-L352 HydrophobicContact CB-CG 4.02Å; D177-L352 PolarHBondContact OD2-N 3.49Å; Y350-L352 HydrophobicContact CD2-CD2 4.18Å; Y350-L352 HydrophobicContact CE2-CD2 4.14Å; L352-S354 PolarHBondContact O-N 3.4Å; L352-S355 WeakPolarHBondContact O-CA 3.35Å; L352-S355 WeakPolarHBondContact O-CB 3.21Å; L352-S355 PolarHBondContact O-N 3.1Å
353	E	83.2	Confident	91.8	Very high	127 Å²	127	32.6 Å²	32.6	59%	0.593	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-31.5	174.7	-71.2	-176.6	174.2	0	0	111.7	G36 L38 S355	G36-E353 WeakPolarHBondContact CA-OE2 3.39Å; G36-E353 PolarHBondContact O-N 3.02Å; L38-E353 HydrophobicContact CD1-CG 4.04Å; L38-E353 HydrophobicContact CD2-CG 3.89Å; L38-E353 HydrophobicContact CG-CG 3.66Å; E353-S355 VanDerWaalsContact C-N 3.27Å
354	S	78.5	Confident	91.7	Very high	103 Å²	103	32.6 Å²	32.6	72%	0.72	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-8.1	172.5	59.9	0	0	0	0	113.7	L352 S356	L352-S354 PolarHBondContact O-N 3.4Å; S354-S356 PolarHBondContact O-N 3.01Å
355	S	78.5	Confident	91.5	Very high	44 Å²	44	32.6 Å²	32.6	31%	0.308	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-66.9	118.5	179.2	-172.1	0	0	0	0	109.6	D177 L352 E353	D177-S355 PolarHBondContact OD1-OG 3.16Å; D177-S355 WeakPolarHBondContact OD2-CB 3.13Å; D177-S355 PolarHBondContact OD2-OG 3.06Å; L352-S355 WeakPolarHBondContact O-CA 3.35Å; L352-S355 WeakPolarHBondContact O-CB 3.21Å; L352-S355 PolarHBondContact O-N 3.1Å; E353-S355 VanDerWaalsContact C-N 3.27Å
356	S	81.2	Confident	91.2	Very high	68 Å²	68	35.7 Å²	35.7	48%	0.476	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-101.5	133	173.9	32.1	0	0	0	0	108.2	S354 N385	S354-S356 PolarHBondContact O-N 3.01Å; S356-N385 WeakPolarHBondContact CB-ND2 3.35Å; S356-N385 PolarHBondContact O-ND2 3.49Å; S356-N385 PolarHBondContact OG-ND2 2.94Å
357	L	87	Confident	90.8	Very high	52 Å²	52	37.5 Å²	37.5	27%	0.272	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-57.1	146.1	176.9	-69.9	173.9	0	0	0	110.1	I359 V360	L357-I359 PolarHBondContact O-N 2.87Å; L357-V360 HydrophobicContact CB-CG2 4.14Å
358	P	91.5	Very high	90.5	Very high	22 Å²	22	42 Å²	42	14%	0.143	25%	0.247	C	C	.	.	S	Bend	trans	-55.7	-38	177	-28.4	36.6	0	0	0	113.1	N385 Y388 V458	P358-N385 WeakPolarHBondContact O-CB 3.44Å; P358-N385 PolarHBondContact O-N 3.44Å; P358-Y388 HydrophobicContact CB-CD1 4.25Å; P358-Y388 HydrophobicContact CB-CD2 3.63Å; P358-Y388 HydrophobicContact CB-CE2 4.05Å; P358-Y388 HydrophobicContact CB-CG 3.72Å; P358-Y388 HydrophobicContact CG-CD2 4.42Å; P358-V458 HydrophobicContact CG-CB 4.41Å
359	I	95.1	Very high	90.3	Very high	1 Å²	1	45 Å²	45	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	133.5	-178.3	-59.7	-65.8	0	0	0	108.8	L357 F361 Y382 I383 Q384 Y388 M415 C449 A459	L357-I359 PolarHBondContact O-N 2.87Å; I359-F361 HydrophobicContact CG2-CE1 4.21Å; I359-F361 HydrophobicContact CG2-CE2 4.41Å; I359-F361 HydrophobicContact CG2-CZ 4.16Å; I359-Y382 HydrophobicContact CD1-CD2 3.9Å; I359-Y382 HydrophobicContact CD1-CE2 3.96Å; I359-Y382 HydrophobicContact CG2-CD2 3.93Å; I359-Y382 HydrophobicContact CG2-CG 4.26Å; I359-I383 WeakPolarHBondContact CA-O 3.4Å; I359-Q384 HydrophobicContact CD1-CB 4.1Å; I359-Q384 HydrophobicContact CD1-CG 4.1Å; I359-Y388 HydrophobicContact CD1-CD1 3.94Å; I359-Y388 HydrophobicContact CD1-CE1 4.08Å; I359-Y388 HydrophobicContact CG1-CD1 4.28Å; I359-Y388 HydrophobicContact CG1-CE1 4.16Å; I359-M415 HydrophobicContact CD1-CE 3.55Å; I359-M415 HydrophobicContact CG1-CE 4.26Å; I359-C449 HydrophobicContact CB-CB 4.45Å; I359-C449 HydrophobicContact CG1-CB 4.3Å; I359-C449 HydrophobicContact CG2-CB 4.44Å; I359-A459 HydrophobicContact CB-CB 3.74Å; I359-A459 HydrophobicContact CG2-CB 4.21Å; I359-A459 WeakPolarHBondContact O-CB 3.44Å
360	V	94.8	Very high	90.4	Very high	54 Å²	54	47 Å²	47	33%	0.327	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	120.8	171.8	178.9	0	0	0	0	108.7	L357 Y382 I383	L357-V360 HydrophobicContact CB-CG2 4.14Å; V360-Y382 CarbonylContact O-C 3.6Å; V360-Y382 VanDerWaalsContact O-CA 3.28Å; V360-Y382 WeakPolarHBondContact O-CA 3.24Å; V360-Y382 WeakPolarHBondContact O-CB 3.22Å; V360-I383 HydrophobicContact CB-CB 4.4Å; V360-I383 PolarHBondContact N-O 2.98Å; V360-I383 PolarHBondContact O-N 3.47Å
361	F	96.4	Very high	90.6	Very high	22 Å²	22	49.5 Å²	49.5	10%	0.096	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	130.4	179.3	-65.4	-74.2	0	0	0	111.2	I359 I396 L447 C449 A459	I359-F361 HydrophobicContact CG2-CE1 4.21Å; I359-F361 HydrophobicContact CG2-CE2 4.41Å; I359-F361 HydrophobicContact CG2-CZ 4.16Å; F361-I396 HydrophobicContact CE1-CD1 3.94Å; F361-I396 HydrophobicContact CE1-CG1 4.14Å; F361-I396 HydrophobicContact CE1-CG2 3.76Å; F361-I396 HydrophobicContact CZ-CG1 4.41Å; F361-I396 HydrophobicContact CZ-CG2 4.26Å; F361-L447 HydrophobicContact CD1-CB 4.02Å; F361-L447 HydrophobicContact CD1-CD1 3.73Å; F361-L447 HydrophobicContact CD2-CB 4.46Å; F361-L447 HydrophobicContact CE1-CB 3.77Å; F361-L447 HydrophobicContact CE1-CD1 4.1Å; F361-L447 HydrophobicContact CE2-CB 4.22Å; F361-L447 HydrophobicContact CG-CB 4.35Å; F361-L447 HydrophobicContact CG-CD1 4.3Å; F361-L447 HydrophobicContact CZ-CB 3.87Å; F361-C449 HydrophobicContact CZ-CB 4.07Å; F361-A459 HydrophobicContact CE2-CB 3.87Å
362	E	95.3	Very high	90.9	Very high	24 Å²	24	48.8 Å²	48.8	11%	0.112	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-39.3	-179.2	-76.3	-71	145.5	0	0	112.4	K368 R381 I383 R426	E362-K368 WeakPolarHBondContact O-CD 3.5Å; E362-K368 IonicContact OE1-NZ 3.01Å; E362-K368 PolarHBondContact OE1-NZ 3.34Å; E362-K368 IonicContact OE2-NZ 3.98Å; E362-K368 PolarHBondContact OE2-NZ 2.74Å; E362-R381 WeakPolarHBondContact CA-O 3.38Å; E362-R381 HydrophobicContact CB-CB 4.41Å; E362-R381 HydrophobicContact CB-CG 4.22Å; E362-R381 WeakPolarHBondContact CB-O 3.39Å; E362-R381 PolarHBondContact N-O 2.82Å; E362-I383 HydrophobicContact CG-CD1 3.82Å; E362-I383 HydrophobicContact CG-CG1 3.77Å; E362-I383 WeakPolarHBondContact OE1-CD1 3.35Å; E362-R426 IonicContact OE1-CZ 2.76Å; E362-R426 IonicContact OE1-NH1 3.72Å; E362-R426 IonicContact OE1-NH2 2.7Å; E362-R426 PolarHBondContact OE1-NH2 2.84Å
363	S	96.1	Very high	91.4	Very high	30 Å²	30	48.4 Å²	48.4	21%	0.21	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	142.2	176.1	173.3	0	0	0	0	110.4	T370 C380 R381	S363-T370 WeakPolarHBondContact OG-CB 3.42Å; S363-T370 PolarHBondContact OG-OG1 3.16Å; S363-C380 CarbonylContact O-C 3.59Å; S363-C380 WeakPolarHBondContact O-CA 3.2Å; S363-R381 PolarHBondContact N-O 3.33Å; S363-R381 PolarHBondContact O-N 3.07Å
364	P	97.4	Very high	92	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	29%	0.286	C	S	.	.	S	Bend	cis	-75.4	158.3	0.1	35.2	-37.2	0	0	0	112.5	T370 W372 L447 F464	P364-T370 WeakPolarHBondContact CA-OG1 3.41Å; P364-W372 HydrophobicContact CB-CG 4.32Å; P364-W372 VanDerWaalsContact CD-NE1 3.27Å; P364-W372 HydrophobicContact CG-CD2 4.08Å; P364-W372 HydrophobicContact CG-CG 4.05Å; P364-W372 HydrophobicContact CG-CZ2 4.22Å; P364-L447 HydrophobicContact CG-CD1 4.31Å; P364-F464 HydrophobicContact CB-CB 3.85Å; P364-F464 HydrophobicContact CB-CD2 3.66Å; P364-F464 HydrophobicContact CB-CE2 4.37Å; P364-F464 HydrophobicContact CB-CG 3.85Å; P364-F464 HydrophobicContact CG-CB 3.91Å; P364-F464 HydrophobicContact CG-CD1 3.87Å; P364-F464 HydrophobicContact CG-CD2 3.22Å; P364-F464 HydrophobicContact CG-CE1 4.16Å; P364-F464 HydrophobicContact CG-CE2 3.54Å; P364-F464 HydrophobicContact CG-CG 3.39Å; P364-F464 HydrophobicContact CG-CZ 3.99Å
365	S	93.6	Very high	92.7	Very high	6 Å²	6	41 Å²	41	4%	0.042	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-166	127.1	-176.6	159.8	0	0	0	0	110	S367 K368 G369 T370	S365-S367 PolarHBondContact OG-N 2.76Å; S365-S367 PolarHBondContact OG-OG 3.14Å; S365-K368 PolarHBondContact O-N 2.58Å; S365-K368 PolarHBondContact OG-N 2.82Å; S365-G369 PolarHBondContact O-N 3.21Å; S365-T370 CarbonylContact C-O 3.53Å; S365-T370 PolarHBondContact N-O 3.42Å; S365-T370 PolarHBondContact N-OG1 2.85Å; S365-T370 PolarHBondContact O-N 2.98Å; S365-T370 VanDerWaalsContact O-O 3.05Å; S365-T370 PolarHBondContact O-OG1 3.34Å
366	C	91.8	Very high	93.5	Very high	64 Å²	64	46.1 Å²	46.1	43%	0.432	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-42.2	175.1	-75.2	0	0	0	0	112.5	K368 G369 P463 F464	C366-K368 PolarHBondContact O-N 3.48Å; C366-G369 PolarHBondContact O-N 3.27Å; C366-G369 VanDerWaalsContact O-N 3.08Å; C366-P463 WeakPolarHBondContact CB-O 3.34Å; C366-P463 PolarHBondContact N-O 3.05Å; C366-P463 PolarHBondContact SG-O 2.88Å; C366-F464 VanDerWaalsContact SG-CA 3.6Å
367	S	90.4	Very high	94.3	Very high	83 Å²	83	45.9 Å²	45.9	58%	0.58	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-27.7	-179.4	61.8	0	0	0	0	112.9	S365 E462	S365-S367 PolarHBondContact OG-N 2.76Å; S365-S367 PolarHBondContact OG-OG 3.14Å; S367-E462 VanDerWaalsContact CB-OE2 3.26Å; S367-E462 WeakPolarHBondContact CB-OE2 3.4Å; S367-E462 PolarHBondContact OG-OE2 3.13Å
368	K	91.1	Very high	94.9	Very high	96 Å²	96	44.2 Å²	44.2	42%	0.417	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	4.6	176.6	-64.2	174.3	178.4	176.4	0	113.7	E362 S365 C366 T370	E362-K368 WeakPolarHBondContact O-CD 3.5Å; E362-K368 IonicContact OE1-NZ 3.01Å; E362-K368 PolarHBondContact OE1-NZ 3.34Å; E362-K368 IonicContact OE2-NZ 3.98Å; E362-K368 PolarHBondContact OE2-NZ 2.74Å; S365-K368 PolarHBondContact O-N 2.58Å; S365-K368 PolarHBondContact OG-N 2.82Å; C366-K368 PolarHBondContact O-N 3.48Å; K368-T370 VanDerWaalsContact C-N 3.27Å; K368-T370 PolarHBondContact O-N 2.84Å
369	G	90.8	Very high	95.2	Very high	70 Å²	70	45.7 Å²	45.7	72%	0.722	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	26.6	-179.6	0	0	0	0	0	114.2	S365 C366	S365-G369 PolarHBondContact O-N 3.21Å; C366-G369 PolarHBondContact O-N 3.27Å; C366-G369 VanDerWaalsContact O-N 3.08Å
370	T	95.8	Very high	95.3	Very high	46 Å²	46	45.6 Å²	45.6	28%	0.282	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-110.5	135.8	179.1	54.6	0	0	0	0	110.9	S363 P364 S365 K368	S363-T370 WeakPolarHBondContact OG-CB 3.42Å; S363-T370 PolarHBondContact OG-OG1 3.16Å; P364-T370 WeakPolarHBondContact CA-OG1 3.41Å; S365-T370 CarbonylContact C-O 3.53Å; S365-T370 PolarHBondContact N-O 3.42Å; S365-T370 PolarHBondContact N-OG1 2.85Å; S365-T370 PolarHBondContact O-N 2.98Å; S365-T370 VanDerWaalsContact O-O 3.05Å; S365-T370 PolarHBondContact O-OG1 3.34Å; K368-T370 VanDerWaalsContact C-N 3.27Å; K368-T370 PolarHBondContact O-N 2.84Å
371	C	96.3	Very high	95.5	Very high	53 Å²	53	46.4 Å²	46.4	36%	0.358	28%	0.277	S	S	.	.			trans	-135.3	168.6	-177.2	60.8	0	0	0	0	110.5	E465 I467	C371-E465 WeakPolarHBondContact CA-O 3.48Å; C371-E465 HydrophobicContact CB-CB 4.41Å; C371-E465 VanDerWaalsContact CB-O 3.29Å; C371-E465 WeakPolarHBondContact CB-O 3.36Å; C371-I467 HydrophobicContact CB-CD1 3.91Å; C371-I467 HydrophobicContact CB-CG1 4.28Å
372	W	97.8	Very high	95.5	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.015	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	152	169.9	-80.5	5.6	0	0	0	111	P364 N378 V379 C380 V398 F434 I439 L447 F464 E465 V466 I467	P364-W372 HydrophobicContact CB-CG 4.32Å; P364-W372 VanDerWaalsContact CD-NE1 3.27Å; P364-W372 HydrophobicContact CG-CD2 4.08Å; P364-W372 HydrophobicContact CG-CG 4.05Å; P364-W372 HydrophobicContact CG-CZ2 4.22Å; W372-N378 VanDerWaalsContact CA-OD1 3.32Å; W372-N378 WeakPolarHBondContact CA-OD1 3.27Å; W372-N378 HydrophobicContact CB-CB 4.19Å; W372-N378 HydrophobicContact CD2-CB 3.53Å; W372-N378 HydrophobicContact CE3-CB 4.16Å; W372-N378 HydrophobicContact CG-CB 3.52Å; W372-N378 HydrophobicContact CZ2-CB 4.36Å; W372-V379 PolarHBondContact NE1-O 3.33Å; W372-V379 VanDerWaalsContact NE1-O 3.15Å; W372-C380 HydrophobicContact CZ2-CB 4.05Å; W372-V398 HydrophobicContact CH2-CG2 3.86Å; W372-V398 HydrophobicContact CZ3-CG2 3.56Å; W372-F434 HydrophobicContact CH2-CB 3.98Å; W372-F434 AromaticContact CH2-CD1 3.89Å; W372-F434 HydrophobicContact CH2-CD1 3.89Å; W372-F434 AromaticContact CH2-CD2 3.45Å; W372-F434 HydrophobicContact CH2-CD2 3.45Å; W372-F434 VanDerWaalsContact CH2-CD2 3.45Å; W372-F434 HydrophobicContact CH2-CE1 4.22Å; W372-F434 AromaticContact CH2-CE2 3.83Å; W372-F434 HydrophobicContact CH2-CE2 3.83Å; W372-F434 AromaticContact CH2-CG 3.49Å; W372-F434 HydrophobicContact CH2-CG 3.49Å; W372-F434 VanDerWaalsContact CH2-CG 3.49Å; W372-F434 HydrophobicContact CH2-CZ 4.19Å; W372-F434 AromaticContact CZ2-CD2 3.87Å; W372-F434 HydrophobicContact CZ2-CD2 3.87Å; W372-F434 HydrophobicContact CZ2-CE2 4.31Å; W372-F434 HydrophobicContact CZ2-CG 4.26Å; W372-F434 HydrophobicContact CZ3-CB 4.21Å; W372-F434 HydrophobicContact CZ3-CD1 4.21Å; W372-F434 HydrophobicContact CZ3-CD2 4.42Å; W372-F434 HydrophobicContact CZ3-CG 4.03Å; W372-I439 HydrophobicContact CE3-CD1 3.83Å; W372-I439 HydrophobicContact CZ3-CD1 3.91Å; W372-L447 HydrophobicContact CH2-CD2 4.12Å; W372-L447 HydrophobicContact CZ2-CD2 4.46Å; W372-F464 HydrophobicContact CB-CE2 4.31Å; W372-F464 AromaticContact CD2-CE2 3.86Å; W372-F464 HydrophobicContact CD2-CE2 3.86Å; W372-F464 HydrophobicContact CD2-CZ 4.41Å; W372-F464 AromaticContact CE3-CE2 3.86Å; W372-F464 HydrophobicContact CE3-CE2 3.86Å; W372-F464 HydrophobicContact CE3-CZ 4.13Å; W372-F464 HydrophobicContact CG-CE2 4.08Å; W372-F464 HydrophobicContact CZ3-CE2 4.48Å; W372-F464 HydrophobicContact CZ3-CZ 4.31Å; W372-E465 PolarHBondContact N-O 2.91Å; W372-V466 HydrophobicContact CB-CG2 4.01Å; W372-V466 CarbonylContact O-C 3.52Å; W372-V466 WeakPolarHBondContact O-CA 3.36Å; W372-I467 PolarHBondContact O-N 2.89Å
373	L	97.2	Very high	95.6	Very high	46 Å²	46	44.6 Å²	44.6	24%	0.241	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129.7	179.6	-60.2	179.8	0	0	0	111.1	R376 N378 I467 P469	L373-R376 HydrophobicContact CB-CB 4.38Å; L373-R376 HydrophobicContact CB-CG 4.42Å; L373-R376 PolarHBondContact O-N 3.48Å; L373-N378 PolarHBondContact N-OD1 2.83Å; L373-N378 PolarHBondContact O-ND2 3.31Å; L373-I467 WeakPolarHBondContact CA-O 3.36Å; L373-I467 HydrophobicContact CD2-CB 4.15Å; L373-I467 HydrophobicContact CD2-CG2 4.47Å; L373-P469 HydrophobicContact CD2-CG 4.24Å
374	V	96.3	Very high	95.5	Very high	38 Å²	38	44.3 Å²	44.3	23%	0.23	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	140.3	168.3	179.9	0	0	0	0	108.9	R376 A442 V466 I467 D468	V374-R376 VanDerWaalsContact C-N 3.28Å; V374-R376 PolarHBondContact O-N 3.5Å; V374-A442 HydrophobicContact CG2-CB 4.37Å; V374-V466 HydrophobicContact CG2-CG1 3.66Å; V374-I467 PolarHBondContact N-O 3.36Å; V374-D468 HydrophobicContact CB-CB 4.19Å; V374-D468 HydrophobicContact CG2-CB 4.05Å
375	G	92.8	Very high	95.4	Very high	37 Å²	37	44.9 Å²	44.9	38%	0.381	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	17.4	177.8	0	0	0	0	0	114.1	Q436	G375-Q436 VanDerWaalsContact C-CG 3.41Å; G375-Q436 VanDerWaalsContact C-NE2 3.31Å; G375-Q436 PolarHBondContact O-NE2 3.31Å; G375-Q436 PolarHBondContact O-OE1 3.35Å
376	R	95.7	Very high	95.1	Very high	152 Å²	152	48.1 Å²	48.1	57%	0.574	29%	0.294	S	S	*	.	S	Bend	trans	-134.7	155.9	168.8	-62.3	-172.5	-179.8	-171.1	-0.2	110.6	L373 V374 N378 Q436 I439	L373-R376 HydrophobicContact CB-CB 4.38Å; L373-R376 HydrophobicContact CB-CG 4.42Å; L373-R376 PolarHBondContact O-N 3.48Å; V374-R376 VanDerWaalsContact C-N 3.28Å; V374-R376 PolarHBondContact O-N 3.5Å; R376-N378 PolarHBondContact O-ND2 2.88Å; R376-Q436 WeakPolarHBondContact O-CA 3.13Å; R376-I439 WeakPolarHBondContact O-CG1 3.37Å
377	S	97.8	Very high	94.9	Very high	63 Å²	63	52.1 Å²	52.1	44%	0.441	31%	0.311	S	S	.	.			trans	-72.9	138.7	165.9	-58.6	0	0	0	0	108.3	F434 Q436	S377-F434 CarbonylContact C-O 3.54Å; S377-F434 VanDerWaalsContact CA-O 3.27Å; S377-F434 WeakPolarHBondContact CA-O 3.47Å; S377-F434 WeakPolarHBondContact CB-O 3.44Å; S377-Q436 PolarHBondContact OG-N 3.38Å
378	N	98.2	Very high	94.9	Very high	17 Å²	17	49.2 Å²	49.2	9%	0.091	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	157.8	-178	-66.8	-84.9	0	0	0	110	W372 L373 R376 F434 I439	W372-N378 VanDerWaalsContact CA-OD1 3.32Å; W372-N378 WeakPolarHBondContact CA-OD1 3.27Å; W372-N378 HydrophobicContact CB-CB 4.19Å; W372-N378 HydrophobicContact CD2-CB 3.53Å; W372-N378 HydrophobicContact CE3-CB 4.16Å; W372-N378 HydrophobicContact CG-CB 3.52Å; W372-N378 HydrophobicContact CZ2-CB 4.36Å; L373-N378 PolarHBondContact N-OD1 2.83Å; L373-N378 PolarHBondContact O-ND2 3.31Å; R376-N378 PolarHBondContact O-ND2 2.88Å; N378-F434 PolarHBondContact N-O 2.66Å; N378-F434 PolarHBondContact O-N 2.85Å; N378-I439 HydrophobicContact CB-CD1 4.02Å
379	V	97.9	Very high	94.9	Very high	52 Å²	52	49.3 Å²	49.3	32%	0.315	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133	179.4	178.6	0	0	0	0	109.1	W372 W419 N431 I432 L433	W372-V379 PolarHBondContact NE1-O 3.33Å; W372-V379 VanDerWaalsContact NE1-O 3.15Å; V379-W419 HydrophobicContact CG1-CH2 4.15Å; V379-W419 HydrophobicContact CG1-CZ2 4.27Å; V379-W419 HydrophobicContact CG2-CH2 4.2Å; V379-N431 HydrophobicContact CG1-CB 3.73Å; V379-N431 WeakPolarHBondContact CG1-OD1 3.48Å; V379-I432 WeakPolarHBondContact CA-O 3.48Å; V379-L433 HydrophobicContact CG2-CD1 4.07Å
380	C	98.3	Very high	94.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	119	164.9	175	0	0	0	0	108.1	S363 W372 N431 I432 F434 L447	S363-C380 CarbonylContact O-C 3.59Å; S363-C380 WeakPolarHBondContact O-CA 3.2Å; W372-C380 HydrophobicContact CZ2-CB 4.05Å; C380-N431 CarbonylContact O-C 3.57Å; C380-N431 WeakPolarHBondContact O-CA 3.46Å; C380-I432 PolarHBondContact N-O 3.36Å; C380-I432 PolarHBondContact O-N 2.9Å; C380-F434 HydrophobicContact CB-CD2 4.13Å; C380-F434 HydrophobicContact CB-CE2 3.68Å; C380-L447 HydrophobicContact CB-CD1 4.49Å; C380-L447 VanDerWaalsContact SG-CD1 3.55Å
381	R	98.1	Very high	94.8	Very high	71 Å²	71	46.2 Å²	46.2	27%	0.268	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	130.3	174.5	-171.3	174.2	-178.1	-90.8	7.3	109.5	E362 S363 E421 V429 Q430 N431	E362-R381 WeakPolarHBondContact CA-O 3.38Å; E362-R381 HydrophobicContact CB-CB 4.41Å; E362-R381 HydrophobicContact CB-CG 4.22Å; E362-R381 WeakPolarHBondContact CB-O 3.39Å; E362-R381 PolarHBondContact N-O 2.82Å; S363-R381 PolarHBondContact N-O 3.33Å; S363-R381 PolarHBondContact O-N 3.07Å; R381-E421 IonicContact CZ-OE1 3.15Å; R381-E421 IonicContact CZ-OE2 3.64Å; R381-E421 IonicContact NE-OE1 3.69Å; R381-E421 PolarHBondContact NE-OE1 3.11Å; R381-E421 VanDerWaalsContact NE-OE1 3.09Å; R381-E421 IonicContact NE-OE2 2.78Å; R381-E421 PolarHBondContact NE-OE2 3.14Å; R381-E421 IonicContact NH2-OE1 3.64Å; R381-E421 PolarHBondContact NH2-OE1 3.11Å; R381-V429 HydrophobicContact CG-CG1 4.04Å; R381-V429 VanDerWaalsContact CZ-CG1 3.44Å; R381-Q430 WeakPolarHBondContact CA-O 3.49Å; R381-N431 WeakPolarHBondContact CB-OD1 3.42Å; R381-N431 WeakPolarHBondContact CG-OD1 3.12Å
382	Y	97.3	Very high	94.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	159.1	-179.6	62.9	-83.6	0	0	0	111.5	I359 V360 Q384 I396 M415 S418 Q430 I432	I359-Y382 HydrophobicContact CD1-CD2 3.9Å; I359-Y382 HydrophobicContact CD1-CE2 3.96Å; I359-Y382 HydrophobicContact CG2-CD2 3.93Å; I359-Y382 HydrophobicContact CG2-CG 4.26Å; V360-Y382 CarbonylContact O-C 3.6Å; V360-Y382 VanDerWaalsContact O-CA 3.28Å; V360-Y382 WeakPolarHBondContact O-CA 3.24Å; V360-Y382 WeakPolarHBondContact O-CB 3.22Å; Y382-Q384 HydrophobicContact CD2-CB 4.49Å; Y382-Q384 HydrophobicContact CE2-CB 4.24Å; Y382-I396 HydrophobicContact CD1-CD1 3.56Å; Y382-I396 HydrophobicContact CD2-CD1 4.2Å; Y382-I396 HydrophobicContact CE1-CD1 3.47Å; Y382-I396 VanDerWaalsContact CE1-CD1 3.47Å; Y382-I396 HydrophobicContact CE2-CD1 4.12Å; Y382-I396 HydrophobicContact CG-CD1 3.93Å; Y382-M415 HydrophobicContact CE2-CE 3.84Å; Y382-S418 WeakPolarHBondContact OH-CB 3.18Å; Y382-S418 PolarHBondContact OH-OG 3.49Å; Y382-Q430 HydrophobicContact CD1-CB 4.36Å; Y382-Q430 HydrophobicContact CD2-CB 4.12Å; Y382-Q430 HydrophobicContact CE1-CB 3.81Å; Y382-Q430 HydrophobicContact CE2-CB 3.55Å; Y382-Q430 HydrophobicContact CE2-CG 4.16Å; Y382-Q430 PolarHBondContact N-O 3.27Å; Y382-Q430 PolarHBondContact O-N 2.91Å; Y382-I432 HydrophobicContact CE1-CD1 3.64Å; Y382-I432 HydrophobicContact CE1-CG1 3.82Å
383	I	96.4	Very high	94.6	Very high	7 Å²	7	56.8 Å²	56.8	4%	0.036	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	121.1	172.8	-59.8	171.7	0	0	0	107.7	I359 V360 E362 R426 I428 V429	I359-I383 WeakPolarHBondContact CA-O 3.4Å; V360-I383 HydrophobicContact CB-CB 4.4Å; V360-I383 PolarHBondContact N-O 2.98Å; V360-I383 PolarHBondContact O-N 3.47Å; E362-I383 HydrophobicContact CG-CD1 3.82Å; E362-I383 HydrophobicContact CG-CG1 3.77Å; E362-I383 WeakPolarHBondContact OE1-CD1 3.35Å; I383-R426 HydrophobicContact CD1-CB 4.39Å; I383-R426 VanDerWaalsContact CD1-NH2 3.25Å; I383-R426 HydrophobicContact CG2-CB 4.17Å; I383-R426 WeakPolarHBondContact CG2-O 3.27Å; I383-I428 WeakPolarHBondContact CA-O 3.37Å; I383-V429 HydrophobicContact CG1-CG2 4.34Å
384	Q	95.7	Very high	94.6	Very high	24 Å²	24	54.7 Å²	54.7	11%	0.112	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	123.9	171.8	-179.4	-178.9	-40.7	0	0	109.8	I359 Y382 A386 Y388 P390 G427 I428 Q430	I359-Q384 HydrophobicContact CD1-CB 4.1Å; I359-Q384 HydrophobicContact CD1-CG 4.1Å; Y382-Q384 HydrophobicContact CD2-CB 4.49Å; Y382-Q384 HydrophobicContact CE2-CB 4.24Å; Q384-A386 PolarHBondContact O-N 3.13Å; Q384-Y388 HydrophobicContact CG-CD1 4.28Å; Q384-Y388 PolarHBondContact NE2-O 3.48Å; Q384-P390 VanDerWaalsContact NE2-CD 3.31Å; Q384-G427 CarbonylContact O-C 3.56Å; Q384-G427 VanDerWaalsContact O-CA 3.32Å; Q384-G427 WeakPolarHBondContact O-CA 3.12Å; Q384-I428 PolarHBondContact N-O 2.97Å; Q384-I428 PolarHBondContact O-N 3.27Å; Q384-Q430 HydrophobicContact CB-CG 4.36Å
385	N	93.3	Very high	94.7	Very high	14 Å²	14	54.1 Å²	54.1	8%	0.075	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-59.6	134.6	172.4	-168	-52.7	0	0	0	110.5	S356 P358 N387 Y388	S356-N385 WeakPolarHBondContact CB-ND2 3.35Å; S356-N385 PolarHBondContact O-ND2 3.49Å; S356-N385 PolarHBondContact OG-ND2 2.94Å; P358-N385 WeakPolarHBondContact O-CB 3.44Å; P358-N385 PolarHBondContact O-N 3.44Å; N385-N387 PolarHBondContact O-N 2.66Å; N385-N387 VanDerWaalsContact O-N 3.13Å; N385-N387 WeakPolarHBondContact OD1-CB 3.35Å; N385-N387 PolarHBondContact OD1-N 2.92Å; N385-Y388 PolarHBondContact O-N 2.94Å
386	A	87.6	Confident	95	Very high	73 Å²	73	52.4 Å²	52.4	60%	0.603	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-29.3	179.4	0	0	0	0	0	113.3	Q384	Q384-A386 PolarHBondContact O-N 3.13Å
387	N	87.7	Confident	95.1	Very high	148 Å²	148	45.1 Å²	45.1	79%	0.791	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-11	177.8	-62.7	-37.3	0	0	0	113.3	N385	N385-N387 PolarHBondContact O-N 2.66Å; N385-N387 VanDerWaalsContact O-N 3.13Å; N385-N387 WeakPolarHBondContact OD1-CB 3.35Å; N385-N387 PolarHBondContact OD1-N 2.92Å
388	Y	90.2	Very high	95.1	Very high	23 Å²	23	42.1 Å²	42.1	9%	0.09	22%	0.224	C	C	.	.			trans	-92.3	114.1	177.9	-177.3	-108	0	0	0	110.8	P358 I359 Q384 N385 P390 D394 M415	P358-Y388 HydrophobicContact CB-CD1 4.25Å; P358-Y388 HydrophobicContact CB-CD2 3.63Å; P358-Y388 HydrophobicContact CB-CE2 4.05Å; P358-Y388 HydrophobicContact CB-CG 3.72Å; P358-Y388 HydrophobicContact CG-CD2 4.42Å; I359-Y388 HydrophobicContact CD1-CD1 3.94Å; I359-Y388 HydrophobicContact CD1-CE1 4.08Å; I359-Y388 HydrophobicContact CG1-CD1 4.28Å; I359-Y388 HydrophobicContact CG1-CE1 4.16Å; Q384-Y388 HydrophobicContact CG-CD1 4.28Å; Q384-Y388 PolarHBondContact NE2-O 3.48Å; N385-Y388 PolarHBondContact O-N 2.94Å; Y388-P390 HydrophobicContact CE1-CB 4.01Å; Y388-P390 WeakPolarHBondContact O-CD 3.4Å; Y388-D394 PolarHBondContact OH-OD2 3.37Å; Y388-D394 VanDerWaalsContact OH-OD2 3.05Å; Y388-M415 HydrophobicContact CE1-CE 4.19Å; Y388-M415 HydrophobicContact CE1-SD 4.44Å
389	V	91.1	Very high	95.1	Very high	97 Å²	97	41.4 Å²	41.4	59%	0.588	22%	0.22	S	C	*	.			trans	-102.7	104	175.3	-175.8	0	0	0	0	109.6	R453	V389-R453 PolarHBondContact O-NH1 2.86Å; V389-R453 VanDerWaalsContact O-NH1 3.09Å
390	P	92.3	Very high	95.1	Very high	37 Å²	37	42.9 Å²	42.9	24%	0.24	22%	0.223	C	C	.	.			trans	-64.2	142.8	179.8	26.3	-33.5	0	0	0	111.1	Q384 Y388 D394 M415	Q384-P390 VanDerWaalsContact NE2-CD 3.31Å; Y388-P390 HydrophobicContact CE1-CB 4.01Å; Y388-P390 WeakPolarHBondContact O-CD 3.4Å; P390-D394 HydrophobicContact CB-CB 4.4Å; P390-M415 HydrophobicContact CB-CB 4.18Å; P390-M415 HydrophobicContact CB-CE 3.97Å; P390-M415 HydrophobicContact CB-SD 3.9Å; P390-M415 HydrophobicContact CG-CE 4.41Å
391	G	93.7	Very high	94.9	Very high	15 Å²	15	44.4 Å²	44.4	16%	0.155	23%	0.231	C	C	.	.			trans	-76.8	160.3	171.2	0	0	0	0	0	112.9	W393 D394	G391-W393 PolarHBondContact O-N 2.84Å; G391-W393 VanDerWaalsContact O-N 3.07Å; G391-D394 PolarHBondContact N-OD2 3.42Å; G391-D394 WeakPolarHBondContact O-CB 3.2Å; G391-D394 PolarHBondContact O-N 3.07Å
392	L	94.8	Very high	94.7	Very high	117 Å²	117	44.4 Å²	44.4	61%	0.613	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-26.6	177.2	-66.4	174.6	0	0	0	114	L416	L392-L416 HydrophobicContact CD2-CD1 4.3Å; L392-L416 HydrophobicContact CD2-CD2 3.87Å
393	W	95.2	Very high	94.7	Very high	162 Å²	162	44.7 Å²	44.7	61%	0.614	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.8	14.3	-177.1	-57.3	112.3	0	0	0	112.6	G391 Y414 R452	G391-W393 PolarHBondContact O-N 2.84Å; G391-W393 VanDerWaalsContact O-N 3.07Å; W393-Y414 AromaticContact CE3-CE1 3.88Å; W393-Y414 HydrophobicContact CE3-CE1 3.88Å; W393-Y414 HydrophobicContact CZ3-CE1 4.44Å; W393-R452 HydrophobicContact CB-CB 3.97Å; W393-R452 HydrophobicContact CB-CG 3.91Å
394	D	97.2	Very high	94.7	Very high	1 Å²	1	45 Å²	45	1%	0.005	24%	0.244	C	C	.	.			trans	-79	145	172.7	-66.5	8	0	0	0	108.9	Y388 P390 G391 M415 F450 S451 R452	Y388-D394 PolarHBondContact OH-OD2 3.37Å; Y388-D394 VanDerWaalsContact OH-OD2 3.05Å; P390-D394 HydrophobicContact CB-CB 4.4Å; G391-D394 PolarHBondContact N-OD2 3.42Å; G391-D394 WeakPolarHBondContact O-CB 3.2Å; G391-D394 PolarHBondContact O-N 3.07Å; D394-M415 HydrophobicContact CB-CG 4.38Å; D394-M415 HydrophobicContact CB-SD 3.91Å; D394-M415 PolarHBondContact O-N 3.06Å; D394-F450 WeakPolarHBondContact CA-O 2.97Å; D394-S451 PolarHBondContact OD2-OG 3.12Å; D394-R452 WeakPolarHBondContact OD1-CB 3.24Å; D394-R452 PolarHBondContact OD1-N 3.06Å
395	W	97.8	Very high	94.7	Very high	27 Å²	27	44.3 Å²	44.3	10%	0.102	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	151	-172.8	56.1	-87.2	0	0	0	111.8	Y399 D406 V409 Y412 G413 Y414 C449 F450	W395-Y399 HydrophobicContact CH2-CE1 4.37Å; W395-Y399 HydrophobicContact CH2-CE2 4.41Å; W395-Y399 AromaticContact CH2-CZ 3.66Å; W395-Y399 WeakPolarHBondContact CH2-OH 3.3Å; W395-Y399 HydrophobicContact CZ3-CE2 4.02Å; W395-Y399 AromaticContact CZ3-CZ 3.72Å; W395-Y399 WeakPolarHBondContact CZ3-OH 3.46Å; W395-D406 VanDerWaalsContact CH2-O 3.26Å; W395-D406 WeakPolarHBondContact CH2-O 3.45Å; W395-V409 HydrophobicContact CE3-CG2 4.36Å; W395-V409 HydrophobicContact CH2-CB 3.51Å; W395-V409 HydrophobicContact CH2-CG1 3.56Å; W395-V409 HydrophobicContact CH2-CG2 3.75Å; W395-V409 HydrophobicContact CZ2-CG1 4.28Å; W395-V409 HydrophobicContact CZ3-CB 3.74Å; W395-V409 HydrophobicContact CZ3-CG1 4.09Å; W395-V409 HydrophobicContact CZ3-CG2 3.41Å; W395-V409 VanDerWaalsContact CZ3-CG2 3.41Å; W395-Y412 HydrophobicContact CB-CD2 4.01Å; W395-Y412 HydrophobicContact CD2-CD2 4.45Å; W395-Y412 HydrophobicContact CD2-CG 4.24Å; W395-Y412 HydrophobicContact CE3-CG 4.06Å; W395-Y412 HydrophobicContact CG-CD2 4.24Å; W395-Y412 HydrophobicContact CG-CG 4.5Å; W395-G413 WeakPolarHBondContact CA-O 3.47Å; W395-G413 WeakPolarHBondContact CB-O 3.25Å; W395-Y414 HydrophobicContact CB-CD1 4.3Å; W395-C449 CarbonylContact O-C 3.53Å; W395-C449 WeakPolarHBondContact O-CA 3.46Å; W395-F450 HydrophobicContact CD2-CB 3.96Å; W395-F450 AromaticContact CE2-CG 3.96Å; W395-F450 HydrophobicContact CE3-CB 4.46Å; W395-F450 HydrophobicContact CG-CB 4.41Å; W395-F450 HydrophobicContact CH2-CB 4.4Å; W395-F450 HydrophobicContact CZ2-CB 3.8Å; W395-F450 HydrophobicContact CZ2-CD1 4.38Å; W395-F450 HydrophobicContact CZ2-CG 4.07Å; W395-F450 PolarHBondContact N-O 2.7Å; W395-F450 AromaticContact NE1-CD1 3.36Å; W395-F450 AromaticContact NE1-CG 3.79Å; W395-F450 PolarHBondContact O-N 3.46Å
396	I	98.3	Very high	94.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.9	166.9	-71.2	167.9	0	0	0	107	F361 Y382 Y412 G413 M415 I432 F434 L447 G448 C449	F361-I396 HydrophobicContact CE1-CD1 3.94Å; F361-I396 HydrophobicContact CE1-CG1 4.14Å; F361-I396 HydrophobicContact CE1-CG2 3.76Å; F361-I396 HydrophobicContact CZ-CG1 4.41Å; F361-I396 HydrophobicContact CZ-CG2 4.26Å; Y382-I396 HydrophobicContact CD1-CD1 3.56Å; Y382-I396 HydrophobicContact CD2-CD1 4.2Å; Y382-I396 HydrophobicContact CE1-CD1 3.47Å; Y382-I396 VanDerWaalsContact CE1-CD1 3.47Å; Y382-I396 HydrophobicContact CE2-CD1 4.12Å; Y382-I396 HydrophobicContact CG-CD1 3.93Å; I396-Y412 CarbonylContact O-C 3.52Å; I396-Y412 VanDerWaalsContact O-CA 3.23Å; I396-Y412 WeakPolarHBondContact O-CA 3.33Å; I396-Y412 WeakPolarHBondContact O-CB 3.3Å; I396-G413 PolarHBondContact N-O 3.47Å; I396-G413 PolarHBondContact O-N 3.01Å; I396-M415 HydrophobicContact CD1-CG 4.44Å; I396-M415 HydrophobicContact CG1-CG 4.25Å; I396-I432 HydrophobicContact CB-CD1 4.21Å; I396-I432 HydrophobicContact CD1-CD1 3.81Å; I396-I432 HydrophobicContact CG1-CD1 4.33Å; I396-F434 HydrophobicContact CG2-CZ 4.32Å; I396-F434 WeakPolarHBondContact O-CZ 3.43Å; I396-L447 HydrophobicContact CG2-CD2 4.31Å; I396-G448 CarbonylContact C-O 3.49Å; I396-G448 WeakPolarHBondContact CA-O 3.41Å; I396-C449 HydrophobicContact CG1-CB 4.03Å
397	G	98.2	Very high	95.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	165.8	179	0	0	0	0	0	114	Y399 T411 L447 G448	G397-Y399 WeakPolarHBondContact O-CD2 3.3Å; G397-Y399 WeakPolarHBondContact O-CE2 3.12Å; G397-T411 CarbonylContact C-O 3.35Å; G397-T411 WeakPolarHBondContact CA-O 3.42Å; G397-L447 CarbonylContact O-C 3.6Å; G397-L447 WeakPolarHBondContact O-CA 3.3Å; G397-G448 PolarHBondContact N-O 2.63Å; G397-G448 PolarHBondContact O-N 3.01Å
398	V	98.4	Very high	95.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	128.9	-175.9	-174.3	0	0	0	0	108.6	W372 I410 T411 F434 P440 Y445 L446 L447 F464	W372-V398 HydrophobicContact CH2-CG2 3.86Å; W372-V398 HydrophobicContact CZ3-CG2 3.56Å; V398-I410 HydrophobicContact CG1-CD1 4.3Å; V398-I410 WeakPolarHBondContact O-CB 3.37Å; V398-I410 PolarHBondContact O-N 2.66Å; V398-T411 HydrophobicContact CB-CG2 3.9Å; V398-T411 HydrophobicContact CG2-CG2 3.63Å; V398-T411 PolarHBondContact N-O 3.41Å; V398-F434 HydrophobicContact CG2-CD1 4.25Å; V398-F434 HydrophobicContact CG2-CE1 3.87Å; V398-F434 HydrophobicContact CG2-CZ 4.45Å; V398-P440 HydrophobicContact CG1-CG 4.14Å; V398-Y445 HydrophobicContact CG1-CD1 4.03Å; V398-Y445 HydrophobicContact CG1-CG 4.04Å; V398-L446 CarbonylContact C-O 3.51Å; V398-L446 WeakPolarHBondContact CA-O 3.48Å; V398-L447 HydrophobicContact CG2-CD2 4Å; V398-F464 HydrophobicContact CG1-CZ 4.07Å
399	Y	98.2	Very high	95.8	Very high	2 Å²	2	42 Å²	42	1%	0.008	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.7	-175	-66.7	-88.5	0	0	0	110.9	W395 G397 F403 D406 D408 V409 Y445 L446 L457	W395-Y399 HydrophobicContact CH2-CE1 4.37Å; W395-Y399 HydrophobicContact CH2-CE2 4.41Å; W395-Y399 AromaticContact CH2-CZ 3.66Å; W395-Y399 WeakPolarHBondContact CH2-OH 3.3Å; W395-Y399 HydrophobicContact CZ3-CE2 4.02Å; W395-Y399 AromaticContact CZ3-CZ 3.72Å; W395-Y399 WeakPolarHBondContact CZ3-OH 3.46Å; G397-Y399 WeakPolarHBondContact O-CD2 3.3Å; G397-Y399 WeakPolarHBondContact O-CE2 3.12Å; Y399-F403 HydrophobicContact CD1-CB 3.94Å; Y399-F403 HydrophobicContact CD1-CD1 4.45Å; Y399-F403 HydrophobicContact CD1-CD2 4.18Å; Y399-F403 AromaticContact CD1-CG 3.95Å; Y399-F403 HydrophobicContact CD1-CG 3.95Å; Y399-F403 HydrophobicContact CG-CB 4.49Å; Y399-F403 HydrophobicContact CG-CD1 4.38Å; Y399-F403 HydrophobicContact CG-CG 4.32Å; Y399-D406 WeakPolarHBondContact CE1-O 3.13Å; Y399-D406 PolarHBondContact OH-O 2.72Å; Y399-D408 WeakPolarHBondContact CD1-O 3.41Å; Y399-V409 HydrophobicContact CD1-CB 4.39Å; Y399-V409 HydrophobicContact CE1-CB 3.85Å; Y399-Y445 WeakPolarHBondContact O-CA 3.27Å; Y399-Y445 WeakPolarHBondContact O-CB 3.16Å; Y399-Y445 WeakPolarHBondContact O-CD1 3.41Å; Y399-L446 PolarHBondContact N-O 3.25Å; Y399-L446 PolarHBondContact O-N 3.03Å; Y399-L457 HydrophobicContact CE2-CD2 4.21Å; Y399-L457 WeakPolarHBondContact OH-CD2 3.42Å
400	Q	96.8	Very high	96.1	Very high	83 Å²	83	40.8 Å²	40.8	39%	0.388	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	149.5	163.7	-71.1	-68.1	-11.2	0	0	110	T402 F403 I410	Q400-T402 PolarHBondContact O-N 3.29Å; Q400-F403 WeakPolarHBondContact O-CB 3.22Å; Q400-F403 VanDerWaalsContact O-CD1 3.31Å; Q400-F403 WeakPolarHBondContact O-CD1 3.3Å; Q400-F403 PolarHBondContact O-N 2.85Å; Q400-I410 HydrophobicContact CG-CD1 4.01Å
401	M	94.8	Very high	96.4	Very high	32 Å²	32	39.7 Å²	39.7	16%	0.158	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-26.3	172.4	-70.1	-59.4	-65.6	0	0	113.2	R141 T444 L446 P463	R141-M401 PolarHBondContact NE-O 2.72Å; R141-M401 PolarHBondContact NH1-O 3.17Å; M401-T444 HydrophobicContact CG-CG2 4.07Å; M401-T444 HydrophobicContact SD-CG2 4Å; M401-L446 HydrophobicContact CE-CD2 4.47Å; M401-L446 HydrophobicContact SD-CD1 3.97Å; M401-L446 HydrophobicContact SD-CD2 3.88Å; M401-L446 HydrophobicContact SD-CG 3.6Å; M401-P463 HydrophobicContact CE-CB 4.32Å; M401-P463 HydrophobicContact CE-CG 3.95Å; M401-P463 HydrophobicContact SD-CB 4.07Å; M401-P463 HydrophobicContact SD-CG 4.28Å
402	T	94.4	Very high	96.6	Very high	70 Å²	70	44.2 Å²	44.2	43%	0.429	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	15.1	-177.8	54.7	0	0	0	0	114.4	C13 R141 Q400 A404	C13-T402 HydrophobicContact CB-CG2 4.35Å; R141-T402 PolarHBondContact NH2-O 3.43Å; Q400-T402 PolarHBondContact O-N 3.29Å; T402-A404 PolarHBondContact O-N 2.63Å
403	F	96.9	Very high	96.7	Very high	7 Å²	7	39 Å²	39	3%	0.031	18%	0.183	C	C	.	.			trans	-49.7	136.4	179.1	78.8	-91.6	0	0	0	111.4	R141 L144 Y399 Q400 N405 D408 L446 L457 I460	R141-F403 HydrophobicContact CG-CE1 4.06Å; R141-F403 HydrophobicContact CG-CZ 3.95Å; R141-F403 PolarHBondContact NE-O 3.1Å; R141-F403 PolarHBondContact NH2-O 2.98Å; L144-F403 HydrophobicContact CD1-CE2 3.97Å; L144-F403 HydrophobicContact CD1-CZ 3.81Å; Y399-F403 HydrophobicContact CD1-CB 3.94Å; Y399-F403 HydrophobicContact CD1-CD1 4.45Å; Y399-F403 HydrophobicContact CD1-CD2 4.18Å; Y399-F403 AromaticContact CD1-CG 3.95Å; Y399-F403 HydrophobicContact CD1-CG 3.95Å; Y399-F403 HydrophobicContact CG-CB 4.49Å; Y399-F403 HydrophobicContact CG-CD1 4.38Å; Y399-F403 HydrophobicContact CG-CG 4.32Å; Q400-F403 WeakPolarHBondContact O-CB 3.22Å; Q400-F403 VanDerWaalsContact O-CD1 3.31Å; Q400-F403 WeakPolarHBondContact O-CD1 3.3Å; Q400-F403 PolarHBondContact O-N 2.85Å; F403-N405 WeakPolarHBondContact CD2-O 3.26Å; F403-D408 HydrophobicContact CB-CB 4.14Å; F403-L446 HydrophobicContact CD1-CD1 4.23Å; F403-L446 HydrophobicContact CE1-CD1 3.88Å; F403-L457 HydrophobicContact CE2-CD1 3.93Å; F403-L457 HydrophobicContact CZ-CD1 4.1Å; F403-I460 HydrophobicContact CZ-CD1 4.29Å
404	A	95.9	Very high	96.8	Very high	14 Å²	14	35.2 Å²	35.2	12%	0.116	17%	0.169	C	C	.	.			trans	-93.2	-27.4	-175	0	0	0	0	0	112.2	E109 A113 G118 R119 T402 D408	E109-A404 HydrophobicContact CG-CB 3.57Å; A113-A404 HydrophobicContact CB-CB 3.58Å; G118-A404 CarbonylContact C-O 3.56Å; G118-A404 WeakPolarHBondContact CA-O 3.49Å; R119-A404 WeakPolarHBondContact CB-O 3.33Å; R119-A404 PolarHBondContact N-O 3.24Å; T402-A404 PolarHBondContact O-N 2.63Å; A404-D408 WeakPolarHBondContact CA-OD2 3.38Å; A404-D408 WeakPolarHBondContact CB-OD2 3.47Å; A404-D408 PolarHBondContact N-OD2 3.48Å
405	N	96.4	Very high	96.8	Very high	8 Å²	8	35.2 Å²	35.2	4%	0.043	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-156.5	175	174.7	66.7	80.1	0	0	0	111.9	E109 R119 T121 F403 R407 D408	E109-N405 PolarHBondContact OE1-ND2 2.83Å; R119-N405 HydrophobicContact CB-CB 4.12Å; R119-N405 WeakPolarHBondContact O-CB 3.4Å; T121-N405 HydrophobicContact CG2-CB 4Å; F403-N405 WeakPolarHBondContact CD2-O 3.26Å; N405-R407 PolarHBondContact O-N 2.9Å; N405-R407 WeakPolarHBondContact OD1-CA 3.11Å; N405-R407 WeakPolarHBondContact OD1-CB 3.34Å; N405-R407 WeakPolarHBondContact OD1-CG 3.34Å; N405-R407 PolarHBondContact OD1-N 3.15Å; N405-D408 PolarHBondContact N-OD2 2.75Å; N405-D408 PolarHBondContact ND2-OD1 2.91Å; N405-D408 PolarHBondContact O-N 3.39Å; N405-D408 VanDerWaalsContact O-N 3.09Å
406	D	95.1	Very high	96.7	Very high	10 Å²	10	39.8 Å²	39.8	5%	0.053	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-17.5	-178.3	57.5	-89.8	0	0	0	115	T121 W395 Y399 F450 L457	T121-D406 WeakPolarHBondContact CB-OD1 3.14Å; T121-D406 WeakPolarHBondContact CG2-OD1 3.39Å; T121-D406 VanDerWaalsContact OG1-CG 3.31Å; T121-D406 PolarHBondContact OG1-OD1 3.41Å; T121-D406 PolarHBondContact OG1-OD2 2.98Å; W395-D406 VanDerWaalsContact CH2-O 3.26Å; W395-D406 WeakPolarHBondContact CH2-O 3.45Å; Y399-D406 WeakPolarHBondContact CE1-O 3.13Å; Y399-D406 PolarHBondContact OH-O 2.72Å; D406-F450 HydrophobicContact CB-CD2 3.63Å; D406-F450 HydrophobicContact CB-CE2 3.73Å; D406-F450 VanDerWaalsContact CG-CE2 3.45Å; D406-F450 VanDerWaalsContact OD2-CE2 3.26Å; D406-F450 WeakPolarHBondContact OD2-CE2 3.26Å; D406-L457 HydrophobicContact CB-CD1 4.39Å; D406-L457 HydrophobicContact CB-CG 4.13Å
407	R	94	Very high	96.6	Very high	100 Å²	100	43.9 Å²	43.9	38%	0.377	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-8.9	179.9	-50.7	174.8	172.4	-149.6	-12.6	113.6	T121 N123 L124 G126 N405 V409	T121-R407 HydrophobicContact CG2-CG 4.33Å; N123-R407 PolarHBondContact O-NH2 3.44Å; L124-R407 PolarHBondContact O-NH1 3.21Å; L124-R407 VanDerWaalsContact O-NH1 3.14Å; L124-R407 PolarHBondContact O-NH2 3.39Å; G126-R407 VanDerWaalsContact CA-CZ 3.43Å; G126-R407 VanDerWaalsContact N-NH2 3.19Å; N405-R407 PolarHBondContact O-N 2.9Å; N405-R407 WeakPolarHBondContact OD1-CA 3.11Å; N405-R407 WeakPolarHBondContact OD1-CB 3.34Å; N405-R407 WeakPolarHBondContact OD1-CG 3.34Å; N405-R407 PolarHBondContact OD1-N 3.15Å; R407-V409 PolarHBondContact O-N 2.89Å
408	D	95.3	Very high	96.5	Very high	65 Å²	65	45.3 Å²	45.3	35%	0.348	23%	0.231	S	C	.	.			trans	-78.5	43.1	175.6	-61.4	-6.6	0	0	0	110.7	Y399 F403 A404 N405	Y399-D408 WeakPolarHBondContact CD1-O 3.41Å; F403-D408 HydrophobicContact CB-CB 4.14Å; A404-D408 WeakPolarHBondContact CA-OD2 3.38Å; A404-D408 WeakPolarHBondContact CB-OD2 3.47Å; A404-D408 PolarHBondContact N-OD2 3.48Å; N405-D408 PolarHBondContact N-OD2 2.75Å; N405-D408 PolarHBondContact ND2-OD1 2.91Å; N405-D408 PolarHBondContact O-N 3.39Å; N405-D408 VanDerWaalsContact O-N 3.09Å
409	V	97	Very high	96.4	Very high	36 Å²	36	50.9 Å²	50.9	22%	0.218	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	133.8	-179.7	57.2	0	0	0	0	109.9	W395 Y399 R407 T411 Y412	W395-V409 HydrophobicContact CE3-CG2 4.36Å; W395-V409 HydrophobicContact CH2-CB 3.51Å; W395-V409 HydrophobicContact CH2-CG1 3.56Å; W395-V409 HydrophobicContact CH2-CG2 3.75Å; W395-V409 HydrophobicContact CZ2-CG1 4.28Å; W395-V409 HydrophobicContact CZ3-CB 3.74Å; W395-V409 HydrophobicContact CZ3-CG1 4.09Å; W395-V409 HydrophobicContact CZ3-CG2 3.41Å; W395-V409 VanDerWaalsContact CZ3-CG2 3.41Å; Y399-V409 HydrophobicContact CD1-CB 4.39Å; Y399-V409 HydrophobicContact CE1-CB 3.85Å; R407-V409 PolarHBondContact O-N 2.89Å; V409-T411 WeakPolarHBondContact CG2-O 3.44Å; V409-Y412 HydrophobicContact CG1-CD1 4.21Å; V409-Y412 HydrophobicContact CG2-CD1 4.22Å
410	I	97.6	Very high	96.4	Very high	71 Å²	71	55.8 Å²	55.8	36%	0.364	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-48.7	177.1	-59.9	160.2	0	0	0	110.2	V398 Q400 P440 Y445	V398-I410 HydrophobicContact CG1-CD1 4.3Å; V398-I410 WeakPolarHBondContact O-CB 3.37Å; V398-I410 PolarHBondContact O-N 2.66Å; Q400-I410 HydrophobicContact CG-CD1 4.01Å; I410-P440 HydrophobicContact CD1-CB 4.41Å; I410-P440 HydrophobicContact CG2-CB 4.17Å; I410-Y445 HydrophobicContact CD1-CD1 3.56Å; I410-Y445 HydrophobicContact CD1-CE1 3.4Å; I410-Y445 VanDerWaalsContact CD1-CE1 3.4Å
411	T	97.7	Very high	96.3	Very high	14 Å²	14	56.5 Å²	56.5	9%	0.086	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	155.1	177.5	-178.3	0	0	0	0	109.4	G397 V398 V409 F434 Y438	G397-T411 CarbonylContact C-O 3.35Å; G397-T411 WeakPolarHBondContact CA-O 3.42Å; V398-T411 HydrophobicContact CB-CG2 3.9Å; V398-T411 HydrophobicContact CG2-CG2 3.63Å; V398-T411 PolarHBondContact N-O 3.41Å; V409-T411 WeakPolarHBondContact CG2-O 3.44Å; T411-F434 HydrophobicContact CG2-CD1 3.84Å; T411-F434 HydrophobicContact CG2-CE1 4.03Å; T411-Y438 VanDerWaalsContact CG2-O 3.24Å; T411-Y438 WeakPolarHBondContact CG2-O 3.35Å; T411-Y438 WeakPolarHBondContact OG1-CB 3.1Å
412	Y	97.9	Very high	96.4	Very high	109 Å²	109	56.8 Å²	56.8	43%	0.427	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	157.2	177.6	60.4	-87	0	0	0	112.2	W395 I396 V409 Y414	W395-Y412 HydrophobicContact CB-CD2 4.01Å; W395-Y412 HydrophobicContact CD2-CD2 4.45Å; W395-Y412 HydrophobicContact CD2-CG 4.24Å; W395-Y412 HydrophobicContact CE3-CG 4.06Å; W395-Y412 HydrophobicContact CG-CD2 4.24Å; W395-Y412 HydrophobicContact CG-CG 4.5Å; I396-Y412 CarbonylContact O-C 3.52Å; I396-Y412 VanDerWaalsContact O-CA 3.23Å; I396-Y412 WeakPolarHBondContact O-CA 3.33Å; I396-Y412 WeakPolarHBondContact O-CB 3.3Å; V409-Y412 HydrophobicContact CG1-CD1 4.21Å; V409-Y412 HydrophobicContact CG2-CD1 4.22Å; Y412-Y414 HydrophobicContact CE2-CD2 4.42Å; Y412-Y414 HydrophobicContact CE2-CE1 4.07Å; Y412-Y414 AromaticContact CE2-CE2 3.86Å; Y412-Y414 HydrophobicContact CE2-CE2 3.86Å; Y412-Y414 AromaticContact CE2-CZ 3.66Å
413	G	97.2	Very high	96.4	Very high	8 Å²	8	59.5 Å²	59.5	8%	0.082	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	135.1	165.5	0	0	0	0	0	109.7	W395 I396	W395-G413 WeakPolarHBondContact CA-O 3.47Å; W395-G413 WeakPolarHBondContact CB-O 3.25Å; I396-G413 PolarHBondContact N-O 3.47Å; I396-G413 PolarHBondContact O-N 3.01Å
414	Y	97.5	Very high	96.2	Very high	82 Å²	82	61.9 Å²	61.9	32%	0.322	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	134.7	173.2	-70.7	-71.3	0	0	0	109.8	W393 W395 Y412 L416 T417	W393-Y414 AromaticContact CE3-CE1 3.88Å; W393-Y414 HydrophobicContact CE3-CE1 3.88Å; W393-Y414 HydrophobicContact CZ3-CE1 4.44Å; W395-Y414 HydrophobicContact CB-CD1 4.3Å; Y412-Y414 HydrophobicContact CE2-CD2 4.42Å; Y412-Y414 HydrophobicContact CE2-CE1 4.07Å; Y412-Y414 AromaticContact CE2-CE2 3.86Å; Y412-Y414 HydrophobicContact CE2-CE2 3.86Å; Y412-Y414 AromaticContact CE2-CZ 3.66Å; Y414-L416 PolarHBondContact O-N 3.42Å; Y414-T417 WeakPolarHBondContact O-CB 3.21Å; Y414-T417 PolarHBondContact O-N 3Å; Y414-T417 PolarHBondContact O-OG1 2.92Å
415	M	96.8	Very high	95.9	Very high	2 Å²	2	71.1 Å²	71.1	1%	0.01	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-60.9	-28.5	-179.8	-67.3	-173.9	74.2	0	0	112.6	I359 Y382 Y388 P390 D394 I396 T417 S418 I432	I359-M415 HydrophobicContact CD1-CE 3.55Å; I359-M415 HydrophobicContact CG1-CE 4.26Å; Y382-M415 HydrophobicContact CE2-CE 3.84Å; Y388-M415 HydrophobicContact CE1-CE 4.19Å; Y388-M415 HydrophobicContact CE1-SD 4.44Å; P390-M415 HydrophobicContact CB-CB 4.18Å; P390-M415 HydrophobicContact CB-CE 3.97Å; P390-M415 HydrophobicContact CB-SD 3.9Å; P390-M415 HydrophobicContact CG-CE 4.41Å; D394-M415 HydrophobicContact CB-CG 4.38Å; D394-M415 HydrophobicContact CB-SD 3.91Å; D394-M415 PolarHBondContact O-N 3.06Å; I396-M415 HydrophobicContact CD1-CG 4.44Å; I396-M415 HydrophobicContact CG1-CG 4.25Å; M415-T417 PolarHBondContact O-N 2.91Å; M415-T417 VanDerWaalsContact O-N 3.12Å; M415-S418 VanDerWaalsContact O-CB 3.24Å; M415-S418 WeakPolarHBondContact O-CB 3.36Å; M415-S418 PolarHBondContact O-N 3.48Å; M415-S418 PolarHBondContact O-OG 3.4Å; M415-I432 HydrophobicContact CG-CD1 4.39Å
416	L	95.6	Very high	95.5	Very high	122 Å²	122	78.5 Å²	78.5	64%	0.639	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-60.5	-21.8	174.7	-173.9	66.3	0	0	0	113.4	L392 Y414 S418	L392-L416 HydrophobicContact CD2-CD1 4.3Å; L392-L416 HydrophobicContact CD2-CD2 3.87Å; Y414-L416 PolarHBondContact O-N 3.42Å; L416-S418 VanDerWaalsContact C-N 3.26Å
417	T	96	Very high	95.4	Very high	87 Å²	87	78.3 Å²	78.3	53%	0.534	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-86.8	2.5	177.4	65.4	0	0	0	0	113	Y414 M415	Y414-T417 WeakPolarHBondContact O-CB 3.21Å; Y414-T417 PolarHBondContact O-N 3Å; Y414-T417 PolarHBondContact O-OG1 2.92Å; M415-T417 PolarHBondContact O-N 2.91Å; M415-T417 VanDerWaalsContact O-N 3.12Å
418	S	97	Very high	95.5	Very high	30 Å²	30	75.5 Å²	75.5	21%	0.21	37%	0.372	C	S	.	.			trans	-69.9	152.2	176.4	74.3	0	0	0	0	111.5	Y382 M415 L416 Q430 N431	Y382-S418 WeakPolarHBondContact OH-CB 3.18Å; Y382-S418 PolarHBondContact OH-OG 3.49Å; M415-S418 VanDerWaalsContact O-CB 3.24Å; M415-S418 WeakPolarHBondContact O-CB 3.36Å; M415-S418 PolarHBondContact O-N 3.48Å; M415-S418 PolarHBondContact O-OG 3.4Å; L416-S418 VanDerWaalsContact C-N 3.26Å; S418-Q430 PolarHBondContact OG-OE1 3.28Å; S418-N431 CarbonylContact C-O 3.55Å; S418-N431 WeakPolarHBondContact CA-O 3.31Å; S418-N431 WeakPolarHBondContact CB-O 3.48Å
419	W	97.4	Very high	95.6	Very high	116 Å²	116	72.5 Å²	72.5	44%	0.439	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	143.8	168.4	68.3	93.5	0	0	0	110.3	V379 Q430 N431 L433	V379-W419 HydrophobicContact CG1-CH2 4.15Å; V379-W419 HydrophobicContact CG1-CZ2 4.27Å; V379-W419 HydrophobicContact CG2-CH2 4.2Å; W419-Q430 WeakPolarHBondContact O-CA 3.33Å; W419-Q430 PolarHBondContact O-OE1 3.38Å; W419-N431 HydrophobicContact CD2-CB 3.85Å; W419-N431 HydrophobicContact CE3-CB 4.23Å; W419-N431 HydrophobicContact CG-CB 4.49Å; W419-N431 HydrophobicContact CH2-CB 3.75Å; W419-N431 HydrophobicContact CZ2-CB 3.32Å; W419-N431 HydrophobicContact CZ3-CB 4.18Å; W419-N431 WeakPolarHBondContact CZ3-O 3.16Å; W419-N431 PolarHBondContact N-O 3.36Å; W419-N431 VanDerWaalsContact N-O 3.08Å; W419-N431 PolarHBondContact O-N 3.15Å; W419-L433 HydrophobicContact CH2-CB 4Å; W419-L433 HydrophobicContact CZ3-CB 3.87Å
420	E	96.6	Very high	95.6	Very high	106 Å²	106	71.5 Å²	71.5	50%	0.495	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	136.6	176.7	-174	171.7	125.8	0	0	110.7	I428	E420-I428 HydrophobicContact CG-CG2 3.64Å; E420-I428 WeakPolarHBondContact OE2-CG2 3.49Å
421	E	96.1	Very high	95.6	Very high	97 Å²	97	68.7 Å²	68.7	45%	0.453	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-46	173.1	-179.5	-171.2	129.7	0	0	111.4	R381 V429 N431	R381-E421 IonicContact CZ-OE1 3.15Å; R381-E421 IonicContact CZ-OE2 3.64Å; R381-E421 IonicContact NE-OE1 3.69Å; R381-E421 PolarHBondContact NE-OE1 3.11Å; R381-E421 VanDerWaalsContact NE-OE1 3.09Å; R381-E421 IonicContact NE-OE2 2.78Å; R381-E421 PolarHBondContact NE-OE2 3.14Å; R381-E421 IonicContact NH2-OE1 3.64Å; R381-E421 PolarHBondContact NH2-OE1 3.11Å; E421-V429 HydrophobicContact CB-CB 4.31Å; E421-V429 HydrophobicContact CB-CG1 3.94Å; E421-V429 HydrophobicContact CG-CG1 4.37Å; E421-V429 PolarHBondContact N-O 2.73Å; E421-N431 WeakPolarHBondContact CB-ND2 3.42Å; E421-N431 PolarHBondContact OE2-ND2 3.01Å
422	A	95.8	Very high	95.7	Very high	38 Å²	38	68 Å²	68	31%	0.314	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	160.4	-175.2	0	0	0	0	0	111.6	V429	A422-V429 HydrophobicContact CB-CB 4.35Å; A422-V429 HydrophobicContact CB-CG2 4.39Å; A422-V429 WeakPolarHBondContact O-CB 3.3Å; A422-V429 PolarHBondContact O-N 3.2Å
423	I	94.6	Very high	95.7	Very high	127 Å²	127	66.8 Å²	66.8	65%	0.651	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	132.5	169.2	-59.2	173.9	0	0	0	108
424	T	92.7	Very high	95.7	Very high	58 Å²	58	66.6 Å²	66.6	36%	0.356	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	167	178.4	69.9	0	0	0	0	110.1	R426 G427 V429	T424-R426 PolarHBondContact O-N 3.46Å; T424-R426 VanDerWaalsContact O-N 3.17Å; T424-R426 PolarHBondContact OG1-N 3.26Å; T424-G427 PolarHBondContact N-O 3.35Å; T424-G427 PolarHBondContact O-N 3.01Å; T424-G427 VanDerWaalsContact O-O 3.12Å; T424-G427 PolarHBondContact OG1-N 3.03Å; T424-G427 PolarHBondContact OG1-O 2.97Å; T424-V429 HydrophobicContact CG2-CG2 3.65Å
425	E	89.3	Confident	95.7	Very high	207 Å²	207	68.1 Å²	68.1	97%	0.967	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-28	173.9	-62.8	178	178.3	0	0	113
426	R	87.7	Confident	95.7	Very high	163 Å²	163	73.1 Å²	73.1	62%	0.615	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-8.9	179.5	-62.1	-170	-67.6	165.6	5.9	113.6	E362 I383 T424	E362-R426 IonicContact OE1-CZ 2.76Å; E362-R426 IonicContact OE1-NH1 3.72Å; E362-R426 IonicContact OE1-NH2 2.7Å; E362-R426 PolarHBondContact OE1-NH2 2.84Å; I383-R426 HydrophobicContact CD1-CB 4.39Å; I383-R426 VanDerWaalsContact CD1-NH2 3.25Å; I383-R426 HydrophobicContact CG2-CB 4.17Å; I383-R426 WeakPolarHBondContact CG2-O 3.27Å; T424-R426 PolarHBondContact O-N 3.46Å; T424-R426 VanDerWaalsContact O-N 3.17Å; T424-R426 PolarHBondContact OG1-N 3.26Å
427	G	93.5	Very high	95.7	Very high	6 Å²	6	76 Å²	76	6%	0.062	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	130.9	-166	-174.7	0	0	0	0	0	113.4	Q384 T424	Q384-G427 CarbonylContact O-C 3.56Å; Q384-G427 VanDerWaalsContact O-CA 3.32Å; Q384-G427 WeakPolarHBondContact O-CA 3.12Å; T424-G427 PolarHBondContact N-O 3.35Å; T424-G427 PolarHBondContact O-N 3.01Å; T424-G427 VanDerWaalsContact O-O 3.12Å; T424-G427 PolarHBondContact OG1-N 3.03Å; T424-G427 PolarHBondContact OG1-O 2.97Å
428	I	95.8	Very high	95.7	Very high	41 Å²	41	77.2 Å²	77.2	21%	0.21	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	124.4	-174.7	-51.2	173.9	0	0	0	109.3	I383 Q384 E420 Q430	I383-I428 WeakPolarHBondContact CA-O 3.37Å; Q384-I428 PolarHBondContact N-O 2.97Å; Q384-I428 PolarHBondContact O-N 3.27Å; E420-I428 HydrophobicContact CG-CG2 3.64Å; E420-I428 WeakPolarHBondContact OE2-CG2 3.49Å; I428-Q430 HydrophobicContact CG2-CG 4.24Å; I428-Q430 VanDerWaalsContact CG2-NE2 3.3Å; I428-Q430 PolarHBondContact O-N 2.62Å
429	V	97.4	Very high	95.7	Very high	2 Å²	2	76.7 Å²	76.7	1%	0.012	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	121.6	173.9	-178.6	0	0	0	0	108.8	R381 I383 E421 A422 T424	R381-V429 HydrophobicContact CG-CG1 4.04Å; R381-V429 VanDerWaalsContact CZ-CG1 3.44Å; I383-V429 HydrophobicContact CG1-CG2 4.34Å; E421-V429 HydrophobicContact CB-CB 4.31Å; E421-V429 HydrophobicContact CB-CG1 3.94Å; E421-V429 HydrophobicContact CG-CG1 4.37Å; E421-V429 PolarHBondContact N-O 2.73Å; A422-V429 HydrophobicContact CB-CB 4.35Å; A422-V429 HydrophobicContact CB-CG2 4.39Å; A422-V429 WeakPolarHBondContact O-CB 3.3Å; A422-V429 PolarHBondContact O-N 3.2Å; T424-V429 HydrophobicContact CG2-CG2 3.65Å
430	Q	97.7	Very high	95.7	Very high	16 Å²	16	71.4 Å²	71.4	8%	0.075	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	151.6	-176.3	-68.9	-73.4	-30.9	0	0	110.4	R381 Y382 Q384 S418 W419 I428	R381-Q430 WeakPolarHBondContact CA-O 3.49Å; Y382-Q430 HydrophobicContact CD1-CB 4.36Å; Y382-Q430 HydrophobicContact CD2-CB 4.12Å; Y382-Q430 HydrophobicContact CE1-CB 3.81Å; Y382-Q430 HydrophobicContact CE2-CB 3.55Å; Y382-Q430 HydrophobicContact CE2-CG 4.16Å; Y382-Q430 PolarHBondContact N-O 3.27Å; Y382-Q430 PolarHBondContact O-N 2.91Å; Q384-Q430 HydrophobicContact CB-CG 4.36Å; S418-Q430 PolarHBondContact OG-OE1 3.28Å; W419-Q430 WeakPolarHBondContact O-CA 3.33Å; W419-Q430 PolarHBondContact O-OE1 3.38Å; I428-Q430 HydrophobicContact CG2-CG 4.24Å; I428-Q430 VanDerWaalsContact CG2-NE2 3.3Å; I428-Q430 PolarHBondContact O-N 2.62Å
431	N	98.4	Very high	95.7	Very high	11 Å²	11	70.8 Å²	70.8	6%	0.059	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	139	178.3	-71.8	-66.1	0	0	0	111.2	V379 C380 R381 S418 W419 E421	V379-N431 HydrophobicContact CG1-CB 3.73Å; V379-N431 WeakPolarHBondContact CG1-OD1 3.48Å; C380-N431 CarbonylContact O-C 3.57Å; C380-N431 WeakPolarHBondContact O-CA 3.46Å; R381-N431 WeakPolarHBondContact CB-OD1 3.42Å; R381-N431 WeakPolarHBondContact CG-OD1 3.12Å; S418-N431 CarbonylContact C-O 3.55Å; S418-N431 WeakPolarHBondContact CA-O 3.31Å; S418-N431 WeakPolarHBondContact CB-O 3.48Å; W419-N431 HydrophobicContact CD2-CB 3.85Å; W419-N431 HydrophobicContact CE3-CB 4.23Å; W419-N431 HydrophobicContact CG-CB 4.49Å; W419-N431 HydrophobicContact CH2-CB 3.75Å; W419-N431 HydrophobicContact CZ2-CB 3.32Å; W419-N431 HydrophobicContact CZ3-CB 4.18Å; W419-N431 WeakPolarHBondContact CZ3-O 3.16Å; W419-N431 PolarHBondContact N-O 3.36Å; W419-N431 VanDerWaalsContact N-O 3.08Å; W419-N431 PolarHBondContact O-N 3.15Å; E421-N431 WeakPolarHBondContact CB-ND2 3.42Å; E421-N431 PolarHBondContact OE2-ND2 3.01Å
432	I	97.9	Very high	95.8	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130	171.3	-71.4	169.2	0	0	0	109.4	V379 C380 Y382 I396 M415 F434	V379-I432 WeakPolarHBondContact CA-O 3.48Å; C380-I432 PolarHBondContact N-O 3.36Å; C380-I432 PolarHBondContact O-N 2.9Å; Y382-I432 HydrophobicContact CE1-CD1 3.64Å; Y382-I432 HydrophobicContact CE1-CG1 3.82Å; I396-I432 HydrophobicContact CB-CD1 4.21Å; I396-I432 HydrophobicContact CD1-CD1 3.81Å; I396-I432 HydrophobicContact CG1-CD1 4.33Å; M415-I432 HydrophobicContact CG-CD1 4.39Å; I432-F434 HydrophobicContact CB-CE2 4.34Å; I432-F434 HydrophobicContact CG2-CD2 4.1Å; I432-F434 HydrophobicContact CG2-CE2 3.69Å; I432-F434 HydrophobicContact CG2-CZ 4.4Å
433	L	98.1	Very high	95.8	Very high	83 Å²	83	67.2 Å²	67.2	44%	0.435	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	122.5	177.6	-178.8	69.1	0	0	0	111.2	V379 W419	V379-L433 HydrophobicContact CG2-CD1 4.07Å; W419-L433 HydrophobicContact CH2-CB 4Å; W419-L433 HydrophobicContact CZ3-CB 3.87Å
434	F	98.2	Very high	95.9	Very high	4 Å²	4	63.8 Å²	63.8	2%	0.018	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	112.1	167.2	-73.3	-103	0	0	0	109.4	W372 S377 N378 C380 I396 V398 T411 I432 I439	W372-F434 HydrophobicContact CH2-CB 3.98Å; W372-F434 AromaticContact CH2-CD1 3.89Å; W372-F434 HydrophobicContact CH2-CD1 3.89Å; W372-F434 AromaticContact CH2-CD2 3.45Å; W372-F434 HydrophobicContact CH2-CD2 3.45Å; W372-F434 VanDerWaalsContact CH2-CD2 3.45Å; W372-F434 HydrophobicContact CH2-CE1 4.22Å; W372-F434 AromaticContact CH2-CE2 3.83Å; W372-F434 HydrophobicContact CH2-CE2 3.83Å; W372-F434 AromaticContact CH2-CG 3.49Å; W372-F434 HydrophobicContact CH2-CG 3.49Å; W372-F434 VanDerWaalsContact CH2-CG 3.49Å; W372-F434 HydrophobicContact CH2-CZ 4.19Å; W372-F434 AromaticContact CZ2-CD2 3.87Å; W372-F434 HydrophobicContact CZ2-CD2 3.87Å; W372-F434 HydrophobicContact CZ2-CE2 4.31Å; W372-F434 HydrophobicContact CZ2-CG 4.26Å; W372-F434 HydrophobicContact CZ3-CB 4.21Å; W372-F434 HydrophobicContact CZ3-CD1 4.21Å; W372-F434 HydrophobicContact CZ3-CD2 4.42Å; W372-F434 HydrophobicContact CZ3-CG 4.03Å; S377-F434 CarbonylContact C-O 3.54Å; S377-F434 VanDerWaalsContact CA-O 3.27Å; S377-F434 WeakPolarHBondContact CA-O 3.47Å; S377-F434 WeakPolarHBondContact CB-O 3.44Å; N378-F434 PolarHBondContact N-O 2.66Å; N378-F434 PolarHBondContact O-N 2.85Å; C380-F434 HydrophobicContact CB-CD2 4.13Å; C380-F434 HydrophobicContact CB-CE2 3.68Å; I396-F434 HydrophobicContact CG2-CZ 4.32Å; I396-F434 WeakPolarHBondContact O-CZ 3.43Å; V398-F434 HydrophobicContact CG2-CD1 4.25Å; V398-F434 HydrophobicContact CG2-CE1 3.87Å; V398-F434 HydrophobicContact CG2-CZ 4.45Å; T411-F434 HydrophobicContact CG2-CD1 3.84Å; T411-F434 HydrophobicContact CG2-CE1 4.03Å; I432-F434 HydrophobicContact CB-CE2 4.34Å; I432-F434 HydrophobicContact CG2-CD2 4.1Å; I432-F434 HydrophobicContact CG2-CE2 3.69Å; I432-F434 HydrophobicContact CG2-CZ 4.4Å; F434-I439 HydrophobicContact CB-CD1 3.63Å
435	K	96.8	Very high	96.2	Very high	115 Å²	115	61.5 Å²	61.5	50%	0.5	30%	0.297	S	S	.	.			trans	-67.1	140.8	-177.6	-63.5	-177.1	179.1	-179.3	0	111	R437 Y438	K435-R437 PolarHBondContact O-N 3.45Å; K435-Y438 HydrophobicContact CB-CD2 4.05Å; K435-Y438 HydrophobicContact CB-CE2 4.44Å; K435-Y438 PolarHBondContact O-N 3.5Å
436	Q	96.5	Very high	96.6	Very high	106 Å²	106	52 Å²	52	50%	0.495	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-39	-46.9	-179	174	174.2	-6.1	0	0	115.4	G375 R376 S377 Y438 I439	G375-Q436 VanDerWaalsContact C-CG 3.41Å; G375-Q436 VanDerWaalsContact C-NE2 3.31Å; G375-Q436 PolarHBondContact O-NE2 3.31Å; G375-Q436 PolarHBondContact O-OE1 3.35Å; R376-Q436 WeakPolarHBondContact O-CA 3.13Å; S377-Q436 PolarHBondContact OG-N 3.38Å; Q436-Y438 PolarHBondContact O-N 2.66Å; Q436-Y438 VanDerWaalsContact O-N 3.12Å; Q436-I439 PolarHBondContact O-N 3.41Å
437	R	96	Very high	97	Very high	183 Å²	183	44.2 Å²	44.2	69%	0.691	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-65.1	-13.8	-176.1	69.1	-176.4	-177.8	-174.1	2.7	114.9	K435	K435-R437 PolarHBondContact O-N 3.45Å
438	Y	96.1	Very high	97.2	Very high	113 Å²	113	44 Å²	44	44%	0.443	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-109.8	-2.5	-179.5	-56.6	-60.9	0	0	0	113.2	T411 K435 Q436	T411-Y438 VanDerWaalsContact CG2-O 3.24Å; T411-Y438 WeakPolarHBondContact CG2-O 3.35Å; T411-Y438 WeakPolarHBondContact OG1-CB 3.1Å; K435-Y438 HydrophobicContact CB-CD2 4.05Å; K435-Y438 HydrophobicContact CB-CE2 4.44Å; K435-Y438 PolarHBondContact O-N 3.5Å; Q436-Y438 PolarHBondContact O-N 2.66Å; Q436-Y438 VanDerWaalsContact O-N 3.12Å
439	I	97.6	Very high	97.3	Very high	18 Å²	18	42 Å²	42	9%	0.092	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-68.6	129.5	176.4	-58.9	-59.7	0	0	0	108.1	W372 R376 N378 F434 Q436 V466	W372-I439 HydrophobicContact CE3-CD1 3.83Å; W372-I439 HydrophobicContact CZ3-CD1 3.91Å; R376-I439 WeakPolarHBondContact O-CG1 3.37Å; N378-I439 HydrophobicContact CB-CD1 4.02Å; F434-I439 HydrophobicContact CB-CD1 3.63Å; Q436-I439 PolarHBondContact O-N 3.41Å; I439-V466 HydrophobicContact CG2-CG1 3.98Å
440	P	97.1	Very high	97.3	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.032	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-65.8	167	179	29.8	-37.1	0	0	0	111.6	V398 I410 Y445 V466	V398-P440 HydrophobicContact CG1-CG 4.14Å; I410-P440 HydrophobicContact CD1-CB 4.41Å; I410-P440 HydrophobicContact CG2-CB 4.17Å; P440-Y445 HydrophobicContact CB-CE1 3.88Å; P440-Y445 HydrophobicContact CB-CE2 4.1Å; P440-Y445 HydrophobicContact CG-CD1 4.3Å; P440-Y445 HydrophobicContact CG-CD2 4.12Å; P440-Y445 HydrophobicContact CG-CE1 4.03Å; P440-Y445 HydrophobicContact CG-CE2 3.82Å; P440-Y445 HydrophobicContact CG-CG 4.35Å; P440-V466 HydrophobicContact CG-CG2 4.06Å; P440-V466 WeakPolarHBondContact O-CG1 3.43Å
441	P	97	Very high	97.2	Very high	93 Å²	93	41.6 Å²	41.6	60%	0.604	21%	0.209	S	C	*	.	P	Polyproline II helix	trans	-57.8	172.3	169.8	-22.6	34.5	0	0	0	112.8	G443 Y445	P441-G443 PolarHBondContact O-N 3.47Å; P441-Y445 VanDerWaalsContact O-CE2 3.32Å; P441-Y445 WeakPolarHBondContact O-CE2 3.35Å; P441-Y445 PolarHBondContact O-OH 2.99Å; P441-Y445 VanDerWaalsContact O-OH 3.13Å
442	A	96.9	Very high	97	Very high	37 Å²	37	46 Å²	46	31%	0.306	23%	0.225	S	C	.	.	S	Bend	trans	-60.5	138.6	176.4	0	0	0	0	0	112	V374 V466 D468	V374-A442 HydrophobicContact CG2-CB 4.37Å; A442-V466 CarbonylContact C-O 3.49Å; A442-V466 WeakPolarHBondContact CA-O 3.43Å; A442-V466 WeakPolarHBondContact CB-O 3.44Å; A442-D468 HydrophobicContact CB-CB 4Å
443	G	96.7	Very high	96.8	Very high	24 Å²	24	53 Å²	53	25%	0.247	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.2	-177.4	-179	0	0	0	0	0	113.2	P441 Y445 V466	P441-G443 PolarHBondContact O-N 3.47Å; G443-Y445 VanDerWaalsContact C-CE2 3.49Å; G443-Y445 WeakPolarHBondContact O-CD2 3.23Å; G443-Y445 VanDerWaalsContact O-CE2 3.3Å; G443-Y445 WeakPolarHBondContact O-CE2 3.43Å; G443-V466 PolarHBondContact N-O 3.35Å; G443-V466 PolarHBondContact O-N 3.36Å
444	T	97.3	Very high	96.6	Very high	55 Å²	55	50.6 Å²	50.6	34%	0.337	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	130.6	-179.2	-43.6	0	0	0	0	111.5	M401 P463 F464 E465	M401-T444 HydrophobicContact CG-CG2 4.07Å; M401-T444 HydrophobicContact SD-CG2 4Å; T444-P463 HydrophobicContact CG2-CB 3.72Å; T444-F464 WeakPolarHBondContact CA-O 3.33Å; T444-E465 VanDerWaalsContact CB-OE1 3.3Å; T444-E465 WeakPolarHBondContact CB-OE1 3.41Å; T444-E465 VanDerWaalsContact CG2-OE1 3.31Å; T444-E465 WeakPolarHBondContact CG2-OE1 3.34Å; T444-E465 PolarHBondContact OG1-OE1 2.72Å; T444-E465 PolarHBondContact OG1-OE2 3.45Å
445	Y	98	Very high	96.4	Very high	10 Å²	10	55.3 Å²	55.3	4%	0.039	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	169.2	-176.1	-62.5	-84.3	0	0	0	112.2	V398 Y399 I410 P440 P441 G443 P463 F464 V466	V398-Y445 HydrophobicContact CG1-CD1 4.03Å; V398-Y445 HydrophobicContact CG1-CG 4.04Å; Y399-Y445 WeakPolarHBondContact O-CA 3.27Å; Y399-Y445 WeakPolarHBondContact O-CB 3.16Å; Y399-Y445 WeakPolarHBondContact O-CD1 3.41Å; I410-Y445 HydrophobicContact CD1-CD1 3.56Å; I410-Y445 HydrophobicContact CD1-CE1 3.4Å; I410-Y445 VanDerWaalsContact CD1-CE1 3.4Å; P440-Y445 HydrophobicContact CB-CE1 3.88Å; P440-Y445 HydrophobicContact CB-CE2 4.1Å; P440-Y445 HydrophobicContact CG-CD1 4.3Å; P440-Y445 HydrophobicContact CG-CD2 4.12Å; P440-Y445 HydrophobicContact CG-CE1 4.03Å; P440-Y445 HydrophobicContact CG-CE2 3.82Å; P440-Y445 HydrophobicContact CG-CG 4.35Å; P441-Y445 VanDerWaalsContact O-CE2 3.32Å; P441-Y445 WeakPolarHBondContact O-CE2 3.35Å; P441-Y445 PolarHBondContact O-OH 2.99Å; P441-Y445 VanDerWaalsContact O-OH 3.13Å; G443-Y445 VanDerWaalsContact C-CE2 3.49Å; G443-Y445 WeakPolarHBondContact O-CD2 3.23Å; G443-Y445 VanDerWaalsContact O-CE2 3.3Å; G443-Y445 WeakPolarHBondContact O-CE2 3.43Å; Y445-P463 WeakPolarHBondContact O-CA 3.32Å; Y445-F464 PolarHBondContact N-O 2.96Å; Y445-F464 VanDerWaalsContact O-CD1 3.25Å; Y445-F464 WeakPolarHBondContact O-CD1 3.36Å; Y445-F464 PolarHBondContact O-N 3.31Å; Y445-V466 HydrophobicContact CD2-CB 3.98Å; Y445-V466 HydrophobicContact CD2-CG2 3.46Å; Y445-V466 VanDerWaalsContact CD2-CG2 3.46Å; Y445-V466 HydrophobicContact CE2-CB 3.91Å; Y445-V466 HydrophobicContact CE2-CG2 3.82Å; Y445-V466 HydrophobicContact CG-CG2 4.44Å
446	L	97.2	Very high	96.4	Very high	7 Å²	7	50 Å²	50	4%	0.037	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149.3	172	-63	166.5	0	0	0	109.8	V398 Y399 M401 F403 I460 S461 P463	V398-L446 CarbonylContact C-O 3.51Å; V398-L446 WeakPolarHBondContact CA-O 3.48Å; Y399-L446 PolarHBondContact N-O 3.25Å; Y399-L446 PolarHBondContact O-N 3.03Å; M401-L446 HydrophobicContact CE-CD2 4.47Å; M401-L446 HydrophobicContact SD-CD1 3.97Å; M401-L446 HydrophobicContact SD-CD2 3.88Å; M401-L446 HydrophobicContact SD-CG 3.6Å; F403-L446 HydrophobicContact CD1-CD1 4.23Å; F403-L446 HydrophobicContact CE1-CD1 3.88Å; L446-I460 HydrophobicContact CD1-CG2 4.47Å; L446-S461 WeakPolarHBondContact CD2-O 3.43Å; L446-P463 HydrophobicContact CD2-CB 4.36Å; L446-P463 HydrophobicContact CD2-CG 4.15Å
447	L	98	Very high	96.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	142.2	161	-62.4	171.2	0	0	0	109.3	F361 P364 W372 C380 I396 G397 V398 I460 S461 F464	F361-L447 HydrophobicContact CD1-CB 4.02Å; F361-L447 HydrophobicContact CD1-CD1 3.73Å; F361-L447 HydrophobicContact CD2-CB 4.46Å; F361-L447 HydrophobicContact CE1-CB 3.77Å; F361-L447 HydrophobicContact CE1-CD1 4.1Å; F361-L447 HydrophobicContact CE2-CB 4.22Å; F361-L447 HydrophobicContact CG-CB 4.35Å; F361-L447 HydrophobicContact CG-CD1 4.3Å; F361-L447 HydrophobicContact CZ-CB 3.87Å; P364-L447 HydrophobicContact CG-CD1 4.31Å; W372-L447 HydrophobicContact CH2-CD2 4.12Å; W372-L447 HydrophobicContact CZ2-CD2 4.46Å; C380-L447 HydrophobicContact CB-CD1 4.49Å; C380-L447 VanDerWaalsContact SG-CD1 3.55Å; I396-L447 HydrophobicContact CG2-CD2 4.31Å; G397-L447 CarbonylContact O-C 3.6Å; G397-L447 WeakPolarHBondContact O-CA 3.3Å; V398-L447 HydrophobicContact CG2-CD2 4Å; L447-I460 CarbonylContact O-C 3.56Å; L447-I460 WeakPolarHBondContact O-CA 3.48Å; L447-S461 PolarHBondContact N-OG 3.47Å; L447-S461 PolarHBondContact O-N 3.24Å; L447-F464 HydrophobicContact CD2-CE1 3.94Å; L447-F464 HydrophobicContact CD2-CZ 4.19Å; L447-F464 HydrophobicContact CG-CD1 4.23Å; L447-F464 HydrophobicContact CG-CE1 3.68Å; L447-F464 HydrophobicContact CG-CZ 4.36Å
448	G	97.4	Very high	96.3	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	134.3	172.9	0	0	0	0	0	110.8	I396 G397 A459	I396-G448 CarbonylContact C-O 3.49Å; I396-G448 WeakPolarHBondContact CA-O 3.41Å; G397-G448 PolarHBondContact N-O 2.63Å; G397-G448 PolarHBondContact O-N 3.01Å; G448-A459 WeakPolarHBondContact CA-O 3.23Å
449	C	97.3	Very high	96.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	113	173.3	-180	0	0	0	0	109.3	I359 F361 W395 I396 L457 V458 A459	I359-C449 HydrophobicContact CB-CB 4.45Å; I359-C449 HydrophobicContact CG1-CB 4.3Å; I359-C449 HydrophobicContact CG2-CB 4.44Å; F361-C449 HydrophobicContact CZ-CB 4.07Å; W395-C449 CarbonylContact O-C 3.53Å; W395-C449 WeakPolarHBondContact O-CA 3.46Å; I396-C449 HydrophobicContact CG1-CB 4.03Å; C449-L457 CarbonylContact O-C 3.54Å; C449-L457 VanDerWaalsContact O-CA 3.31Å; C449-L457 WeakPolarHBondContact O-CA 3.41Å; C449-V458 HydrophobicContact CB-CG2 4.13Å; C449-V458 WeakPolarHBondContact O-CG2 3.37Å; C449-V458 PolarHBondContact O-N 3.23Å; C449-A459 HydrophobicContact CB-CB 4.08Å; C449-A459 PolarHBondContact N-O 2.88Å
450	F	97.2	Very high	96.2	Very high	9 Å²	9	31.5 Å²	31.5	4%	0.039	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	122.8	176.7	-175	-94.8	0	0	0	110.9	D394 W395 D406 L457	D394-F450 WeakPolarHBondContact CA-O 2.97Å; W395-F450 HydrophobicContact CD2-CB 3.96Å; W395-F450 AromaticContact CE2-CG 3.96Å; W395-F450 HydrophobicContact CE3-CB 4.46Å; W395-F450 HydrophobicContact CG-CB 4.41Å; W395-F450 HydrophobicContact CH2-CB 4.4Å; W395-F450 HydrophobicContact CZ2-CB 3.8Å; W395-F450 HydrophobicContact CZ2-CD1 4.38Å; W395-F450 HydrophobicContact CZ2-CG 4.07Å; W395-F450 PolarHBondContact N-O 2.7Å; W395-F450 AromaticContact NE1-CD1 3.36Å; W395-F450 AromaticContact NE1-CG 3.79Å; W395-F450 PolarHBondContact O-N 3.46Å; D406-F450 HydrophobicContact CB-CD2 3.63Å; D406-F450 HydrophobicContact CB-CE2 3.73Å; D406-F450 VanDerWaalsContact CG-CE2 3.45Å; D406-F450 VanDerWaalsContact OD2-CE2 3.26Å; D406-F450 WeakPolarHBondContact OD2-CE2 3.26Å; F450-L457 HydrophobicContact CB-CD2 4.1Å; F450-L457 HydrophobicContact CD2-CD2 4.46Å
451	S	95.9	Very high	96.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.8	171.3	179.2	0	0	0	0	110.1	D394 R453 N454 R455 C456	D394-S451 PolarHBondContact OD2-OG 3.12Å; S451-R453 VanDerWaalsContact C-N 3.33Å; S451-R453 PolarHBondContact O-N 3.31Å; S451-N454 PolarHBondContact O-N 3.35Å; S451-N454 PolarHBondContact OG-N 3.35Å; S451-R455 VanDerWaalsContact O-CA 3.3Å; S451-R455 WeakPolarHBondContact O-CA 3.48Å; S451-R455 PolarHBondContact O-N 3.49Å; S451-C456 PolarHBondContact N-O 2.88Å
452	R	94.5	Very high	96	Very high	103 Å²	103	31.8 Å²	31.8	39%	0.389	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-35.5	177.8	-177	58.8	170.5	-151.6	-11.5	112.3	L124 W393 D394 R455	L124-R452 VanDerWaalsContact CG-NH2 3.32Å; W393-R452 HydrophobicContact CB-CB 3.97Å; W393-R452 HydrophobicContact CB-CG 3.91Å; D394-R452 WeakPolarHBondContact OD1-CB 3.24Å; D394-R452 PolarHBondContact OD1-N 3.06Å; R452-R455 WeakPolarHBondContact O-CG 3.43Å
453	R	92.8	Very high	95.9	Very high	146 Å²	146	31.3 Å²	31.3	55%	0.551	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-47.1	176.7	-174.5	-172.5	-62.2	132.3	1.7	110.7	V389 S451	V389-R453 PolarHBondContact O-NH1 2.86Å; V389-R453 VanDerWaalsContact O-NH1 3.09Å; S451-R453 VanDerWaalsContact C-N 3.33Å; S451-R453 PolarHBondContact O-N 3.31Å
454	N	93.7	Very high	95.9	Very high	34 Å²	34	30.2 Å²	30.2	18%	0.182	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-15.3	-175.9	-65.9	0.5	0	0	0	113.5	R148 K149 V150 S451 C456 V458	R148-N454 VanDerWaalsContact O-CB 3.25Å; R148-N454 WeakPolarHBondContact O-CB 3.46Å; R148-N454 PolarHBondContact O-ND2 3.05Å; K149-N454 WeakPolarHBondContact CA-O 3.29Å; K149-N454 HydrophobicContact CB-CB 4.13Å; K149-N454 HydrophobicContact CG-CB 4.3Å; V150-N454 PolarHBondContact N-O 2.72Å; S451-N454 PolarHBondContact O-N 3.35Å; S451-N454 PolarHBondContact OG-N 3.35Å; N454-C456 VanDerWaalsContact C-N 3.31Å; N454-C456 PolarHBondContact O-N 2.9Å; N454-V458 HydrophobicContact CB-CG1 4.47Å
455	R	95.3	Very high	95.9	Very high	103 Å²	103	30.7 Å²	30.7	39%	0.389	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	33.8	177	-52.8	-175.2	-176.2	176.1	2.9	114.2	F122 V150 S451 R452	F122-R455 WeakPolarHBondContact O-CD 3.22Å; F122-R455 PolarHBondContact O-NH1 2.8Å; V150-R455 HydrophobicContact CG2-CB 3.74Å; V150-R455 WeakPolarHBondContact CG2-O 3.39Å; S451-R455 VanDerWaalsContact O-CA 3.3Å; S451-R455 WeakPolarHBondContact O-CA 3.48Å; S451-R455 PolarHBondContact O-N 3.49Å; R452-R455 WeakPolarHBondContact O-CG 3.43Å
456	C	95.8	Very high	95.9	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.014	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	165.8	178.8	59.8	0	0	0	0	111.4	V147 R148 V150 S451 N454 V458	V147-C456 HydrophobicContact CG1-CB 4.04Å; V147-C456 PolarHBondContact O-SG 3.35Å; R148-C456 VanDerWaalsContact C-SG 3.54Å; R148-C456 PolarHBondContact O-SG 2.94Å; V150-C456 HydrophobicContact CG1-CB 4.49Å; S451-C456 PolarHBondContact N-O 2.88Å; N454-C456 VanDerWaalsContact C-N 3.31Å; N454-C456 PolarHBondContact O-N 2.9Å; C456-V458 PolarHBondContact O-N 3.26Å
457	L	96.2	Very high	95.9	Very high	7 Å²	7	32.2 Å²	32.2	4%	0.037	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	107	167.5	-74.7	171.7	0	0	0	109.2	L144 Y399 F403 D406 C449 F450 I460	L144-L457 HydrophobicContact CD1-CD1 4.46Å; Y399-L457 HydrophobicContact CE2-CD2 4.21Å; Y399-L457 WeakPolarHBondContact OH-CD2 3.42Å; F403-L457 HydrophobicContact CE2-CD1 3.93Å; F403-L457 HydrophobicContact CZ-CD1 4.1Å; D406-L457 HydrophobicContact CB-CD1 4.39Å; D406-L457 HydrophobicContact CB-CG 4.13Å; C449-L457 CarbonylContact O-C 3.54Å; C449-L457 VanDerWaalsContact O-CA 3.31Å; C449-L457 WeakPolarHBondContact O-CA 3.41Å; F450-L457 HydrophobicContact CB-CD2 4.1Å; F450-L457 HydrophobicContact CD2-CD2 4.46Å; L457-I460 HydrophobicContact CB-CG1 4.39Å; L457-I460 HydrophobicContact CD1-CD1 4.19Å; L457-I460 HydrophobicContact CD1-CG1 4.43Å
458	V	94.3	Very high	95.8	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.012	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-12.6	-178.1	-64.4	0	0	0	0	113.1	P358 C449 N454 C456	P358-V458 HydrophobicContact CG-CB 4.41Å; C449-V458 HydrophobicContact CB-CG2 4.13Å; C449-V458 WeakPolarHBondContact O-CG2 3.37Å; C449-V458 PolarHBondContact O-N 3.23Å; N454-V458 HydrophobicContact CB-CG1 4.47Å; C456-V458 PolarHBondContact O-N 3.26Å
459	A	95.4	Very high	95.5	Very high	2 Å²	2	36 Å²	36	2%	0.017	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	149.4	171.6	0	0	0	0	0	110.6	I359 F361 G448 C449	I359-A459 HydrophobicContact CB-CB 3.74Å; I359-A459 HydrophobicContact CG2-CB 4.21Å; I359-A459 WeakPolarHBondContact O-CB 3.44Å; F361-A459 HydrophobicContact CE2-CB 3.87Å; G448-A459 WeakPolarHBondContact CA-O 3.23Å; C449-A459 HydrophobicContact CB-CB 4.08Å; C449-A459 PolarHBondContact N-O 2.88Å
460	I	96	Very high	95.1	Very high	21 Å²	21	41.3 Å²	41.3	11%	0.108	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	135.8	173.6	-60.5	178.5	0	0	0	107.2	R141 L144 F403 L446 L447 L457	R141-I460 WeakPolarHBondContact O-CD1 3.44Å; L144-I460 HydrophobicContact CB-CD1 3.59Å; L144-I460 HydrophobicContact CD1-CD1 4Å; L144-I460 HydrophobicContact CG-CD1 4.45Å; F403-I460 HydrophobicContact CZ-CD1 4.29Å; L446-I460 HydrophobicContact CD1-CG2 4.47Å; L447-I460 CarbonylContact O-C 3.56Å; L447-I460 WeakPolarHBondContact O-CA 3.48Å; L457-I460 HydrophobicContact CB-CG1 4.39Å; L457-I460 HydrophobicContact CD1-CD1 4.19Å; L457-I460 HydrophobicContact CD1-CG1 4.43Å
461	S	95.6	Very high	94.5	Very high	10 Å²	10	46.5 Å²	46.5	7%	0.07	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-78.2	169.1	177.5	71.6	0	0	0	0	112.1	L446 L447	L446-S461 WeakPolarHBondContact CD2-O 3.43Å; L447-S461 PolarHBondContact N-OG 3.47Å; L447-S461 PolarHBondContact O-N 3.24Å
462	E	94	Very high	93.7	Very high	94 Å²	94	50.5 Å²	50.5	44%	0.439	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-62.2	162.4	155.1	-65.7	-177.6	159.8	0	0	111.1	S367	S367-E462 VanDerWaalsContact CB-OE2 3.26Å; S367-E462 WeakPolarHBondContact CB-OE2 3.4Å; S367-E462 PolarHBondContact OG-OE2 3.13Å
463	P	95.3	Very high	92.9	Very high	28 Å²	28	47.5 Å²	47.5	18%	0.182	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-61.2	145.7	173.7	-17.9	34	0	0	0	110.4	L17 C366 M401 T444 Y445 L446	L17-P463 HydrophobicContact CD1-CG 3.93Å; C366-P463 WeakPolarHBondContact CB-O 3.34Å; C366-P463 PolarHBondContact N-O 3.05Å; C366-P463 PolarHBondContact SG-O 2.88Å; M401-P463 HydrophobicContact CE-CB 4.32Å; M401-P463 HydrophobicContact CE-CG 3.95Å; M401-P463 HydrophobicContact SD-CB 4.07Å; M401-P463 HydrophobicContact SD-CG 4.28Å; T444-P463 HydrophobicContact CG2-CB 3.72Å; Y445-P463 WeakPolarHBondContact O-CA 3.32Å; L446-P463 HydrophobicContact CD2-CB 4.36Å; L446-P463 HydrophobicContact CD2-CG 4.15Å
464	F	97.5	Very high	92.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	153.1	172.7	75.2	-88.1	0	0	0	110.7	P364 C366 W372 V398 T444 Y445 L447 V466	P364-F464 HydrophobicContact CB-CB 3.85Å; P364-F464 HydrophobicContact CB-CD2 3.66Å; P364-F464 HydrophobicContact CB-CE2 4.37Å; P364-F464 HydrophobicContact CB-CG 3.85Å; P364-F464 HydrophobicContact CG-CB 3.91Å; P364-F464 HydrophobicContact CG-CD1 3.87Å; P364-F464 HydrophobicContact CG-CD2 3.22Å; P364-F464 HydrophobicContact CG-CE1 4.16Å; P364-F464 HydrophobicContact CG-CE2 3.54Å; P364-F464 HydrophobicContact CG-CG 3.39Å; P364-F464 HydrophobicContact CG-CZ 3.99Å; C366-F464 VanDerWaalsContact SG-CA 3.6Å; W372-F464 HydrophobicContact CB-CE2 4.31Å; W372-F464 AromaticContact CD2-CE2 3.86Å; W372-F464 HydrophobicContact CD2-CE2 3.86Å; W372-F464 HydrophobicContact CD2-CZ 4.41Å; W372-F464 AromaticContact CE3-CE2 3.86Å; W372-F464 HydrophobicContact CE3-CE2 3.86Å; W372-F464 HydrophobicContact CE3-CZ 4.13Å; W372-F464 HydrophobicContact CG-CE2 4.08Å; W372-F464 HydrophobicContact CZ3-CE2 4.48Å; W372-F464 HydrophobicContact CZ3-CZ 4.31Å; V398-F464 HydrophobicContact CG1-CZ 4.07Å; T444-F464 WeakPolarHBondContact CA-O 3.33Å; Y445-F464 PolarHBondContact N-O 2.96Å; Y445-F464 VanDerWaalsContact O-CD1 3.25Å; Y445-F464 WeakPolarHBondContact O-CD1 3.36Å; Y445-F464 PolarHBondContact O-N 3.31Å; L447-F464 HydrophobicContact CD2-CE1 3.94Å; L447-F464 HydrophobicContact CD2-CZ 4.19Å; L447-F464 HydrophobicContact CG-CD1 4.23Å; L447-F464 HydrophobicContact CG-CE1 3.68Å; L447-F464 HydrophobicContact CG-CZ 4.36Å; F464-V466 HydrophobicContact CD2-CG2 4.29Å; F464-V466 HydrophobicContact CE2-CG2 3.63Å; F464-V466 HydrophobicContact CZ-CG2 4.45Å
465	E	97.5	Very high	91	Very high	65 Å²	65	49.1 Å²	49.1	30%	0.304	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	138.2	178.4	-67	-57.6	132.6	0	0	111.7	C371 W372 T444 I467	C371-E465 WeakPolarHBondContact CA-O 3.48Å; C371-E465 HydrophobicContact CB-CB 4.41Å; C371-E465 VanDerWaalsContact CB-O 3.29Å; C371-E465 WeakPolarHBondContact CB-O 3.36Å; W372-E465 PolarHBondContact N-O 2.91Å; T444-E465 VanDerWaalsContact CB-OE1 3.3Å; T444-E465 WeakPolarHBondContact CB-OE1 3.41Å; T444-E465 VanDerWaalsContact CG2-OE1 3.31Å; T444-E465 WeakPolarHBondContact CG2-OE1 3.34Å; T444-E465 PolarHBondContact OG1-OE1 2.72Å; T444-E465 PolarHBondContact OG1-OE2 3.45Å; E465-I467 HydrophobicContact CB-CG1 4.12Å
466	V	97.9	Very high	89.3	Confident	2 Å²	2	46 Å²	46	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.1	160.9	179.2	0	0	0	0	106.8	W372 V374 I439 P440 A442 G443 Y445 F464	W372-V466 HydrophobicContact CB-CG2 4.01Å; W372-V466 CarbonylContact O-C 3.52Å; W372-V466 WeakPolarHBondContact O-CA 3.36Å; V374-V466 HydrophobicContact CG2-CG1 3.66Å; I439-V466 HydrophobicContact CG2-CG1 3.98Å; P440-V466 HydrophobicContact CG-CG2 4.06Å; P440-V466 WeakPolarHBondContact O-CG1 3.43Å; A442-V466 CarbonylContact C-O 3.49Å; A442-V466 WeakPolarHBondContact CA-O 3.43Å; A442-V466 WeakPolarHBondContact CB-O 3.44Å; G443-V466 PolarHBondContact N-O 3.35Å; G443-V466 PolarHBondContact O-N 3.36Å; Y445-V466 HydrophobicContact CD2-CB 3.98Å; Y445-V466 HydrophobicContact CD2-CG2 3.46Å; Y445-V466 VanDerWaalsContact CD2-CG2 3.46Å; Y445-V466 HydrophobicContact CE2-CB 3.91Å; Y445-V466 HydrophobicContact CE2-CG2 3.82Å; Y445-V466 HydrophobicContact CG-CG2 4.44Å; F464-V466 HydrophobicContact CD2-CG2 4.29Å; F464-V466 HydrophobicContact CE2-CG2 3.63Å; F464-V466 HydrophobicContact CZ-CG2 4.45Å
467	I	96.4	Very high	87.6	Confident	47 Å²	47	53.8 Å²	53.8	24%	0.241	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	134.1	-170.7	-62.7	-178.4	0	0	0	109.4	C371 W372 L373 V374 E465 P469 I472	C371-I467 HydrophobicContact CB-CD1 3.91Å; C371-I467 HydrophobicContact CB-CG1 4.28Å; W372-I467 PolarHBondContact O-N 2.89Å; L373-I467 WeakPolarHBondContact CA-O 3.36Å; L373-I467 HydrophobicContact CD2-CB 4.15Å; L373-I467 HydrophobicContact CD2-CG2 4.47Å; V374-I467 PolarHBondContact N-O 3.36Å; E465-I467 HydrophobicContact CB-CG1 4.12Å; I467-P469 WeakPolarHBondContact O-CD 3.49Å; I467-I472 HydrophobicContact CG2-CD1 3.26Å; I467-I472 HydrophobicContact CG2-CG1 4.04Å
468	D	95.5	Very high	85.6	Confident	31 Å²	31	59.1 Å²	59.1	17%	0.166	31%	0.31	C	S	.	.			trans	-93.2	108.9	167	-176.4	-8.3	0	0	0	109.7	V374 A442 N470 Q471 I472	V374-D468 HydrophobicContact CB-CB 4.19Å; V374-D468 HydrophobicContact CG2-CB 4.05Å; A442-D468 HydrophobicContact CB-CB 4Å; D468-N470 PolarHBondContact O-N 3.03Å; D468-N470 VanDerWaalsContact O-N 3.12Å; D468-N470 WeakPolarHBondContact OD1-CB 3.46Å; D468-N470 PolarHBondContact OD1-N 3.3Å; D468-N470 PolarHBondContact OD1-ND2 3.12Å; D468-Q471 HydrophobicContact CB-CB 4.16Å; D468-Q471 HydrophobicContact CB-CG 3.87Å; D468-Q471 PolarHBondContact O-N 2.91Å; D468-I472 PolarHBondContact O-N 3.47Å
469	P	91	Very high	83.3	Confident	50 Å²	50	62.6 Å²	62.6	33%	0.325	33%	0.328	S	S	.	.	H	α-helix	trans	-55.9	-30.4	178.9	-24.8	34.8	0	0	0	113.4	L373 I467 Q471 A473	L373-P469 HydrophobicContact CD2-CG 4.24Å; I467-P469 WeakPolarHBondContact O-CD 3.49Å; P469-Q471 VanDerWaalsContact C-N 3.34Å; P469-A473 PolarHBondContact O-N 3.32Å; P469-A473 VanDerWaalsContact O-N 3.09Å
470	N	88.9	Confident	81.4	Confident	112 Å²	112	64.8 Å²	64.8	60%	0.599	35%	0.346	S	S	*	.	H	α-helix	trans	-73.7	-27.8	-179.3	-57.3	-58.1	0	0	0	112.3	D468 K474	D468-N470 PolarHBondContact O-N 3.03Å; D468-N470 VanDerWaalsContact O-N 3.12Å; D468-N470 WeakPolarHBondContact OD1-CB 3.46Å; D468-N470 PolarHBondContact OD1-N 3.3Å; D468-N470 PolarHBondContact OD1-ND2 3.12Å; N470-K474 WeakPolarHBondContact O-CG 3.36Å; N470-K474 PolarHBondContact O-N 3.03Å
471	Q	84.1	Confident	79.5	Confident	117 Å²	117	68.6 Å²	68.6	55%	0.547	37%	0.372	S	S	.	.	H	α-helix	trans	-73.4	-41.4	175.1	-69.9	-177	16.3	0	0	111.1	D468 P469 K474 S475	D468-Q471 HydrophobicContact CB-CB 4.16Å; D468-Q471 HydrophobicContact CB-CG 3.87Å; D468-Q471 PolarHBondContact O-N 2.91Å; P469-Q471 VanDerWaalsContact C-N 3.34Å; Q471-K474 PolarHBondContact O-N 3.33Å; Q471-S475 PolarHBondContact O-N 3.31Å; Q471-S475 VanDerWaalsContact O-N 3.09Å
472	I	79.7	Confident	77.8	Confident	84 Å²	84	74.5 Å²	74.5	43%	0.431	40%	0.403	S	S	.	.	H	α-helix	trans	-59.6	-49	174.4	-65.3	-176.4	0	0	0	110.1	I467 D468 K474 S475 C476	I467-I472 HydrophobicContact CG2-CD1 3.26Å; I467-I472 HydrophobicContact CG2-CG1 4.04Å; D468-I472 PolarHBondContact O-N 3.47Å; I472-K474 VanDerWaalsContact C-N 3.3Å; I472-K474 PolarHBondContact O-N 2.83Å; I472-S475 PolarHBondContact O-N 3.03Å; I472-S475 VanDerWaalsContact O-N 3.09Å; I472-S475 PolarHBondContact O-OG 3.33Å; I472-C476 PolarHBondContact O-N 3.07Å; I472-C476 VanDerWaalsContact O-N 3.08Å; I472-C476 PolarHBondContact O-SG 3.44Å
473	A	78.2	Confident	75.8	Confident	41 Å²	41	76.7 Å²	76.7	34%	0.339	41%	0.413	S	S	.	.	H	α-helix	trans	-54.1	-46.6	178.5	0	0	0	0	0	111.7	P469 S475 C476 Y477	P469-A473 PolarHBondContact O-N 3.32Å; P469-A473 VanDerWaalsContact O-N 3.09Å; A473-S475 PolarHBondContact O-N 3.26Å; A473-C476 PolarHBondContact O-N 3.21Å; A473-Y477 HydrophobicContact CB-CE2 4.32Å; A473-Y477 WeakPolarHBondContact O-CD2 3.44Å; A473-Y477 WeakPolarHBondContact O-CE2 3.33Å; A473-Y477 PolarHBondContact O-N 3.36Å
474	K	76.8	Confident	73.7	Confident	153 Å²	153	76.3 Å²	76.3	67%	0.665	41%	0.41	S	S	*	.	H	α-helix	trans	-61.3	-40.1	177.7	-73.5	175.8	-177.5	-179.1	0	113.3	N470 Q471 I472 C476 Y477 T478	N470-K474 WeakPolarHBondContact O-CG 3.36Å; N470-K474 PolarHBondContact O-N 3.03Å; Q471-K474 PolarHBondContact O-N 3.33Å; I472-K474 VanDerWaalsContact C-N 3.3Å; I472-K474 PolarHBondContact O-N 2.83Å; K474-C476 VanDerWaalsContact C-N 3.35Å; K474-Y477 PolarHBondContact O-N 2.89Å; K474-T478 PolarHBondContact O-N 3.08Å
475	S	70.1	Confident	71.2	Confident	61 Å²	61	80.1 Å²	80.1	43%	0.427	43%	0.434	S	S	.	.	H	α-helix	trans	-67.2	-33.2	177.4	65.6	0	0	0	0	113.3	Q471 I472 A473 T478	Q471-S475 PolarHBondContact O-N 3.31Å; Q471-S475 VanDerWaalsContact O-N 3.09Å; I472-S475 PolarHBondContact O-N 3.03Å; I472-S475 VanDerWaalsContact O-N 3.09Å; I472-S475 PolarHBondContact O-OG 3.33Å; A473-S475 PolarHBondContact O-N 3.26Å; S475-T478 PolarHBondContact O-N 3.46Å; S475-T478 PolarHBondContact O-OG1 2.9Å
476	C	60.1	Low	69.1	Low	36 Å²	36	84.8 Å²	84.8	24%	0.243	46%	0.456	C	S	.	.	H	α-helix	trans	-68.5	-33.6	175.4	-67.1	0	0	0	0	112.4	I472 A473 K474 T478 L479	I472-C476 PolarHBondContact O-N 3.07Å; I472-C476 VanDerWaalsContact O-N 3.08Å; I472-C476 PolarHBondContact O-SG 3.44Å; A473-C476 PolarHBondContact O-N 3.21Å; K474-C476 VanDerWaalsContact C-N 3.35Å; C476-T478 VanDerWaalsContact C-N 3.29Å; C476-T478 PolarHBondContact O-N 3.48Å; C476-L479 PolarHBondContact O-N 3.42Å
477	Y	58.2	Low	66.8	Low	166 Å²	166	89.3 Å²	89.3	65%	0.651	49%	0.488	S	S	*	.	H	α-helix	trans	-74.3	-15.2	176.8	-68	-68.3	0	0	0	114.2	A473 K474	A473-Y477 HydrophobicContact CB-CE2 4.32Å; A473-Y477 WeakPolarHBondContact O-CD2 3.44Å; A473-Y477 WeakPolarHBondContact O-CE2 3.33Å; A473-Y477 PolarHBondContact O-N 3.36Å; K474-Y477 PolarHBondContact O-N 2.89Å
478	T	55.6	Low	64.4	Low	119 Å²	119	91.1 Å²	91.1	73%	0.73	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-9.7	176.4	43.2	0	0	0	0	114.2	K474 S475 C476	K474-T478 PolarHBondContact O-N 3.08Å; S475-T478 PolarHBondContact O-N 3.46Å; S475-T478 PolarHBondContact O-OG1 2.9Å; C476-T478 VanDerWaalsContact C-N 3.29Å; C476-T478 PolarHBondContact O-N 3.48Å
479	L	46.7	Very low	62.2	Low	75 Å²	75	94.5 Å²	94.5	39%	0.393	51%	0.511	S	S	.	.	S	Bend	trans	-80.9	128.2	171.9	-69.6	165.7	0	0	0	108.6	C476 Q483 L484	C476-L479 PolarHBondContact O-N 3.42Å; L479-Q483 HydrophobicContact CD2-CB 4.35Å; L479-L484 HydrophobicContact CD1-CD2 4.44Å
480	A	55.5	Low	60.2	Low	49 Å²	49	96.8 Å²	96.8	41%	0.405	52%	0.524	S	S	.	.			trans	-59.4	147	171.3	0	0	0	0	0	109.5	D482 Q483	A480-D482 WeakPolarHBondContact CB-OD1 3.41Å; A480-D482 PolarHBondContact O-N 2.87Å; A480-Q483 PolarHBondContact O-N 3.12Å
481	P	54.8	Low	58.1	Low	100 Å²	100	94.6 Å²	94.6	65%	0.649	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-51.7	-29.9	-173	-26.2	33.5	0	0	0	114.6	Q483 Q489	P481-Q483 VanDerWaalsContact C-N 3.33Å; P481-Q489 PolarHBondContact O-NE2 3.44Å
482	D	61	Low	55.9	Low	135 Å²	135	93.2 Å²	93.2	72%	0.722	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-77.3	-6.5	179.3	44.1	-39.5	0	0	0	114.7	A480	A480-D482 WeakPolarHBondContact CB-OD1 3.41Å; A480-D482 PolarHBondContact O-N 2.87Å
483	Q	51.9	Low	54	Low	139 Å²	139	92.9 Å²	92.9	65%	0.65	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-108.3	2.4	173	-62.8	-152.9	-8.1	0	0	114.5	L479 A480 P481	L479-Q483 HydrophobicContact CD2-CB 4.35Å; A480-Q483 PolarHBondContact O-N 3.12Å; P481-Q483 VanDerWaalsContact C-N 3.33Å
484	L	50.8	Low	52.1	Low	20 Å²	20	96.6 Å²	96.6	11%	0.105	53%	0.531	C	S	.	.	S	Bend	trans	-83.5	135	176.1	-77.5	158	0	0	0	110.8	L479 M488 Q489 M492	L479-L484 HydrophobicContact CD1-CD2 4.44Å; L484-M488 HydrophobicContact CD2-CB 4.16Å; L484-M488 HydrophobicContact CD2-SD 3.89Å; L484-Q489 HydrophobicContact CB-CG 4.27Å; L484-M492 HydrophobicContact CD1-SD 4.39Å
485	P	45.6	Very low	50.5	Low	80 Å²	80	91.9 Å²	91.9	52%	0.519	52%	0.517	S	S	.	.			trans	-55.6	141.4	168.7	-21.2	31.4	0	0	0	110.9	S487 M488	P485-S487 PolarHBondContact O-N 3.31Å; P485-M488 PolarHBondContact O-N 3.04Å
486	E	53	Low	49	Very low	164 Å²	164	95.9 Å²	95.9	77%	0.766	53%	0.529	S	S	*	.	H	α-helix	trans	-51.4	-29.6	-176.3	-75.1	-176.8	154.9	0	0	113.6	M488 Q489 T490	E486-M488 VanDerWaalsContact C-N 3.26Å; E486-M488 PolarHBondContact O-N 3.34Å; E486-Q489 PolarHBondContact O-N 3.28Å; E486-T490 PolarHBondContact O-OG1 2.9Å
487	S	49.7	Very low	47.9	Very low	97 Å²	97	99.7 Å²	99.7	68%	0.678	55%	0.547	S	S	*	.	H	α-helix	trans	-66.5	-20.7	177	60.8	0	0	0	0	114.6	P485	P485-S487 PolarHBondContact O-N 3.31Å
488	M	46.4	Very low	46.9	Very low	84 Å²	84	98.5 Å²	98.5	41%	0.414	55%	0.547	S	S	.	.	H	α-helix	trans	-94.6	-24.4	174.5	-86.3	-169.2	-179.1	0	0	113.3	L484 P485 E486 T490 S491	L484-M488 HydrophobicContact CD2-CB 4.16Å; L484-M488 HydrophobicContact CD2-SD 3.89Å; P485-M488 PolarHBondContact O-N 3.04Å; E486-M488 VanDerWaalsContact C-N 3.26Å; E486-M488 PolarHBondContact O-N 3.34Å; M488-T490 PolarHBondContact O-N 3.3Å; M488-S491 PolarHBondContact O-N 3.27Å; M488-S491 PolarHBondContact O-OG 3.36Å; M488-S491 VanDerWaalsContact O-OG 3.12Å
489	Q	49	Very low	46	Very low	103 Å²	103	100.1 Å²	100.1	48%	0.481	55%	0.546	S	S	.	.	H	α-helix	trans	-63.7	-32.4	177.4	-67.6	-177.4	-2.2	0	0	111.7	P481 L484 E486	P481-Q489 PolarHBondContact O-NE2 3.44Å; L484-Q489 HydrophobicContact CB-CG 4.27Å; E486-Q489 PolarHBondContact O-N 3.28Å
490	T	47.8	Very low	45.5	Very low	97 Å²	97	106.3 Å²	106.3	60%	0.595	57%	0.565	S	S	*	*	H	α-helix	trans	-74.1	-30.4	178.4	2.4	0	0	0	0	113	E486 M488 S493	E486-T490 PolarHBondContact O-OG1 2.9Å; M488-T490 PolarHBondContact O-N 3.3Å; T490-S493 PolarHBondContact O-OG 3.23Å
491	S	44.9	Very low	44.7	Very low	66 Å²	66	110.4 Å²	110.4	46%	0.462	58%	0.575	S	S	.	*	H	α-helix	trans	-82.4	-21.6	-174	68.8	0	0	0	0	114.3	M488 L494	M488-S491 PolarHBondContact O-N 3.27Å; M488-S491 PolarHBondContact O-OG 3.36Å; M488-S491 VanDerWaalsContact O-OG 3.12Å; S491-L494 PolarHBondContact O-N 2.78Å
492	M	38.2	Very low	43.8	Very low	88 Å²	88	107.6 Å²	107.6	43%	0.433	57%	0.565	S	S	.	*	H	α-helix	trans	-74.9	-27.4	176.9	-80.7	-175	45.5	0	0	113.9	L484 L494 S495	L484-M492 HydrophobicContact CD1-SD 4.39Å; M492-L494 PolarHBondContact O-N 3Å; M492-L494 VanDerWaalsContact O-N 3.15Å; M492-S495 PolarHBondContact O-N 3.33Å; M492-S495 PolarHBondContact O-OG 3Å; M492-S495 VanDerWaalsContact O-OG 3.13Å
493	S	39.9	Very low	42.8	Very low	77 Å²	77	105 Å²	105	54%	0.538	56%	0.557	S	S	.	*	H	α-helix	trans	-62.4	-21.9	175.2	68.6	0	0	0	0	113.2	T490	T490-S493 PolarHBondContact O-OG 3.23Å
494	L	38.6	Very low	42.2	Very low	120 Å²	120	107.9 Å²	107.9	63%	0.628	56%	0.562	S	S	*	*	H	α-helix	trans	-86.9	-22.9	-179.8	-70	164.2	0	0	0	113.1	S491 M492	S491-L494 PolarHBondContact O-N 2.78Å; M492-L494 PolarHBondContact O-N 3Å; M492-L494 VanDerWaalsContact O-N 3.15Å
495	S	43.4	Very low	41.7	Very low	53 Å²	53	114.3 Å²	114.3	37%	0.371	59%	0.592	S	S	.	*	H	α-helix	trans	-86.3	-27.2	-175.8	66.1	0	0	0	0	113.8	M492 N497 H498	M492-S495 PolarHBondContact O-N 3.33Å; M492-S495 PolarHBondContact O-OG 3Å; M492-S495 VanDerWaalsContact O-OG 3.13Å; S495-N497 VanDerWaalsContact C-N 3.3Å; S495-N497 PolarHBondContact O-N 3.35Å; S495-H498 PolarHBondContact O-N 2.9Å
496	E	39	Very low	41.4	Very low	145 Å²	145	120.3 Å²	120.3	68%	0.678	60%	0.604	S	S	*	*	H	α-helix	trans	-67.4	-30	176.3	-72.1	-167.3	154.4	0	0	112.8
497	N	36.5	Very low	41.1	Very low	116 Å²	116	116.1 Å²	116.1	62%	0.62	59%	0.593	S	S	*	*	H	α-helix	trans	-73	-31.6	177.4	-79.7	-24.4	0	0	0	112.8	S495	S495-N497 VanDerWaalsContact C-N 3.3Å; S495-N497 PolarHBondContact O-N 3.35Å
498	H	36.7	Very low	40.8	Very low	141 Å²	141	119.3 Å²	119.3	65%	0.653	59%	0.594	S	S	*	*	H	α-helix	trans	-79	-21.7	-179.2	-84.9	-51.8	0	0	0	114.6	S495	S495-H498 PolarHBondContact O-N 2.9Å
499	Q	37.1	Very low	40.7	Very low	153 Å²	153	123.2 Å²	123.2	72%	0.715	61%	0.609	S	S	*	*	H	α-helix	trans	-76.3	-23.5	176.1	-71.8	-169.6	-3	0	0	113.5	S503	Q499-S503 PolarHBondContact O-OG 3.04Å
500	R	36.4	Very low	40.5	Very low	205 Å²	205	123.8 Å²	123.8	77%	0.774	62%	0.615	S	S	*	*	H	α-helix	trans	-79.2	-24.9	177.1	-81.1	-175.5	173.3	-178.3	0.6	114	S503	R500-S503 PolarHBondContact O-OG 3.32Å
501	E	38	Very low	40.3	Very low	135 Å²	135	126.4 Å²	126.4	63%	0.631	62%	0.621	S	S	*	*	H	α-helix	trans	-85.6	-38.6	-179.9	-70.3	-171.6	152.4	0	0	112.9	S503 R504	E501-S503 VanDerWaalsContact C-N 3.29Å; E501-S503 PolarHBondContact O-N 3.42Å; E501-R504 PolarHBondContact O-N 3.02Å
502	G	35.6	Very low	40.3	Very low	42 Å²	42	131.7 Å²	131.7	43%	0.433	64%	0.636	S	S	.	*	H	α-helix	trans	-68.8	-20.9	-176.7	0	0	0	0	0	115.5
503	S	40.8	Very low	40.6	Very low	79 Å²	79	135 Å²	135	55%	0.552	65%	0.65	S	S	*	*	H	α-helix	trans	-78.9	-23.3	179.1	40.4	0	0	0	0	113.1	Q499 R500 E501	Q499-S503 PolarHBondContact O-OG 3.04Å; R500-S503 PolarHBondContact O-OG 3.32Å; E501-S503 VanDerWaalsContact C-N 3.29Å; E501-S503 PolarHBondContact O-N 3.42Å
504	R	38.3	Very low	40.8	Very low	200 Å²	200	139.8 Å²	139.8	76%	0.755	66%	0.661	S	S	*	*	H	α-helix	trans	-79.5	-33.1	175.9	-78.1	-178.8	171.3	177	-1.8	113	E501 S507	E501-R504 PolarHBondContact O-N 3.02Å; R504-S507 PolarHBondContact O-OG 2.95Å
505	E	40.4	Very low	41.1	Very low	156 Å²	156	142.6 Å²	142.6	73%	0.729	67%	0.668	S	S	*	*	H	α-helix	trans	-75.9	-32	-177.7	-73.4	-166.3	148.6	0	0	114	S507 K508	E505-S507 PolarHBondContact O-N 3.36Å; E505-K508 PolarHBondContact O-N 3.3Å
506	R	40.2	Very low	41.3	Very low	205 Å²	205	149 Å²	149	77%	0.774	69%	0.69	S	S	*	*	H	α-helix	trans	-66.3	-36.4	177.1	-84.3	-176.3	175.7	-176.6	-1.4	113	K508 K509	R506-K508 PolarHBondContact O-N 2.86Å; R506-K509 PolarHBondContact O-N 2.87Å
507	S	45.4	Very low	41.5	Very low	77 Å²	77	151.3 Å²	151.3	54%	0.538	70%	0.7	S	S	.	*	H	α-helix	trans	-63.3	-25.5	179.8	68	0	0	0	0	114.3	R504 E505	R504-S507 PolarHBondContact O-OG 2.95Å; E505-S507 PolarHBondContact O-N 3.36Å
508	K	44.6	Very low	42	Very low	163 Å²	163	157.2 Å²	157.2	71%	0.709	72%	0.724	S	S	*	*	H	α-helix	trans	-89.1	-16.8	-179.1	-73.5	-173.6	176.5	179.7	0	114.4	E505 R506	E505-K508 PolarHBondContact O-N 3.3Å; R506-K508 PolarHBondContact O-N 2.86Å
509	K	44.3	Very low	42.2	Very low	166 Å²	166	158 Å²	158	72%	0.722	73%	0.728	S	S	*	*	H	α-helix	trans	-83.2	-39.6	-178.7	-118.6	-178.6	178.4	-178.5	0	111.8	R506 E511 K512	R506-K509 PolarHBondContact O-N 2.87Å; K509-E511 VanDerWaalsContact C-N 3.26Å; K509-E511 PolarHBondContact O-N 3.11Å; K509-K512 PolarHBondContact O-N 3.29Å
510	D	44.9	Very low	42.5	Very low	115 Å²	115	158.3 Å²	158.3	62%	0.615	73%	0.728	S	S	*	*	H	α-helix	trans	-69.6	-23.4	-178.2	-64.3	-16.2	0	0	0	112.9
511	E	44	Very low	42.8	Very low	153 Å²	153	155.7 Å²	155.7	72%	0.715	73%	0.726	S	S	*	*	H	α-helix	trans	-79.4	-19.8	178.6	-142	178.3	-164.2	0	0	113.2	K509	K509-E511 VanDerWaalsContact C-N 3.26Å; K509-E511 PolarHBondContact O-N 3.11Å
512	K	44.3	Very low	43.1	Very low	176 Å²	176	156.9 Å²	156.9	77%	0.765	73%	0.731	S	S	*	*	H	α-helix	trans	-87.2	-24.7	178.8	-91.9	-173.6	175.6	-178.9	0	114	K509	K509-K512 PolarHBondContact O-N 3.29Å
513	E	43.5	Very low	43.6	Very low	158 Å²	158	164.1 Å²	164.1	74%	0.738	75%	0.75	S	S	*	*	H	α-helix	trans	-79.7	-27.8	178.8	-78.7	-175.8	164.5	0	0	112.7	K515	E513-K515 VanDerWaalsContact C-N 3.34Å; E513-K515 PolarHBondContact O-N 2.81Å
514	K	43.8	Very low	43.8	Very low	177 Å²	177	169.7 Å²	169.7	77%	0.77	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-10.5	179.3	-85.2	-171.8	174.3	-176.5	0	116.4
515	K	46.7	Very low	44.1	Very low	180 Å²	180	167.6 Å²	167.6	78%	0.783	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	11.1	178.9	-82	-169.5	175.4	-177.9	0	114.7	E513	E513-K515 VanDerWaalsContact C-N 3.34Å; E513-K515 PolarHBondContact O-N 2.81Å
516	K	46.5	Very low	44.4	Very low	188 Å²	188	168.5 Å²	168.5	82%	0.817	77%	0.766	S	S	*	*	S	Bend	trans	-113.6	2.1	176.6	-96	-171.1	173.4	-172.9	0	114.8
517	E	43	Very low	44.8	Very low	192 Å²	192	165.4 Å²	165.4	90%	0.897	77%	0.766	S	S	*	*			trans	-116	5.8	175.4	-78.3	-171.6	152.6	0	0	114.4
518	E	46.3	Very low	44.7	Very low	240 Å²	240	173.5 Å²	173.5	100%	1.122	79%	0.787	S	S	*	*			trans	-106.8	0	159.6	-73.3	-178.3	168.8	0	0	108.9

Retrieved 518 of 518 residues in 452.9 ms (Link to these results)

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