A0A077Z8U2_TRITR Loading...

hypoxia-inducible factor-proline dioxygenase

AlphaFold DB , UniProt , Accession A0A077Z8U2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 254 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	R	59.1	Low	70.1	Confident	256 Å²	256	92.2 Å²	92.2	97%	0.966	48%	0.479	S	S	*	.				0	125.2	0	-70.7	-173.2	-176.1	-166.1	2.3	108.3	Y40	R1-Y40 PolarHBondContact O-OH 2.93Å
2	H	78.6	Confident	68.9	Low	70 Å²	70	92.7 Å²	92.7	32%	0.324	49%	0.492	S	S	.	.			trans	-69.1	152.7	171.3	-51.2	144.6	0	0	0	109.3	I52 D54 R202	H2-I52 HydrophobicContact CB-CG2 4.16Å; H2-D54 IonicContact CG-OD2 3.64Å; H2-D54 IonicContact ND1-OD2 2.73Å; H2-R202 PolarHBondContact CE1-NH2 3.27Å; H2-R202 PolarHBondContact ND1-NH2 2.78Å; H2-R202 VanDerWaalsContact ND1-NH2 3.17Å
3	F	83.6	Confident	67.7	Low	17 Å²	17	101 Å²	101	8%	0.075	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	124.8	170.8	177.9	-94.4	0	0	0	109	I5 C8 C36 I37 Y40 I52 V53 D54	F3-I5 HydrophobicContact CE1-CG1 4.1Å; F3-C8 HydrophobicContact CE2-CB 4.14Å; F3-C8 HydrophobicContact CZ-CB 3.86Å; F3-C36 HydrophobicContact CE2-CB 4.49Å; F3-C36 HydrophobicContact CZ-CB 3.82Å; F3-I37 HydrophobicContact CE1-CG1 3.97Å; F3-Y40 HydrophobicContact CB-CD1 3.61Å; F3-Y40 HydrophobicContact CB-CD2 3.77Å; F3-Y40 HydrophobicContact CB-CE1 3.49Å; F3-Y40 VanDerWaalsContact CB-CE1 3.49Å; F3-Y40 HydrophobicContact CB-CE2 3.62Å; F3-Y40 HydrophobicContact CB-CG 3.75Å; F3-Y40 VanDerWaalsContact CB-CZ 3.48Å; F3-Y40 HydrophobicContact CD2-CD1 4.38Å; F3-Y40 AromaticContact CD2-CD2 3.73Å; F3-Y40 HydrophobicContact CD2-CD2 3.73Å; F3-Y40 HydrophobicContact CD2-CE2 4.33Å; F3-Y40 AromaticContact CD2-CG 3.73Å; F3-Y40 HydrophobicContact CD2-CG 3.73Å; F3-Y40 HydrophobicContact CG-CD1 4.07Å; F3-Y40 HydrophobicContact CG-CD2 4.11Å; F3-Y40 HydrophobicContact CG-CE1 4.43Å; F3-Y40 HydrophobicContact CG-CE2 4.42Å; F3-Y40 AromaticContact CG-CG 3.9Å; F3-Y40 HydrophobicContact CG-CG 3.9Å; F3-Y40 PolarHBondContact N-OH 2.98Å; F3-I52 PolarHBondContact N-O 3.08Å; F3-V53 HydrophobicContact CB-CG2 4.21Å; F3-V53 HydrophobicContact CD1-CG1 4.02Å; F3-V53 HydrophobicContact CD1-CG2 4.22Å; F3-D54 PolarHBondContact O-N 3.3Å
4	R	79.2	Confident	66.1	Low	167 Å²	167	106.8 Å²	106.8	63%	0.63	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	141.3	163	-65.2	-178.3	178.2	-172.5	0.2	107.3	G6 D7	R4-G6 PolarHBondContact O-N 2.99Å; R4-D7 VanDerWaalsContact O-CB 3.25Å; R4-D7 WeakPolarHBondContact O-CB 3.48Å; R4-D7 PolarHBondContact O-N 2.92Å
5	I	67.1	Low	64.4	Low	46 Å²	46	108.1 Å²	108.1	24%	0.236	56%	0.555	C	S	.	*	G	3₁₀ helix	trans	-57.3	-37.8	-175.4	-66.1	165.1	0	0	0	112.3	F3 D7 C8 L11 H33 G55	F3-I5 HydrophobicContact CE1-CG1 4.1Å; I5-D7 PolarHBondContact O-N 3.33Å; I5-C8 WeakPolarHBondContact O-CB 2.99Å; I5-C8 PolarHBondContact O-N 3.12Å; I5-L11 HydrophobicContact CG2-CD1 3.34Å; I5-H33 WeakPolarHBondContact CD1-NE2 3.5Å; I5-H33 VanDerWaalsContact CG1-NE2 3.35Å; I5-H33 WeakPolarHBondContact CG1-NE2 3.44Å; I5-G55 WeakPolarHBondContact CD1-O 3.37Å
6	G	68.6	Low	62.8	Low	80 Å²	80	108.1 Å²	108.1	83%	0.825	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-62.8	-9.4	175.2	0	0	0	0	0	115.1	R4	R4-G6 PolarHBondContact O-N 2.99Å
7	D	69.1	Low	61.5	Low	108 Å²	108	107.9 Å²	107.9	58%	0.578	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-90.1	-3.1	172.9	-55.7	-30.6	0	0	0	112.3	R4 I5	R4-D7 VanDerWaalsContact O-CB 3.25Å; R4-D7 WeakPolarHBondContact O-CB 3.48Å; R4-D7 PolarHBondContact O-N 2.92Å; I5-D7 PolarHBondContact O-N 3.33Å
8	C	70.9	Confident	60.5	Low	20 Å²	20	110.6 Å²	110.6	14%	0.135	59%	0.586	C	S	.	*			trans	-81.2	124.7	-179.1	-169	0	0	0	0	112.9	F3 I5 L10 L11 C36	F3-C8 HydrophobicContact CE2-CB 4.14Å; F3-C8 HydrophobicContact CZ-CB 3.86Å; I5-C8 WeakPolarHBondContact O-CB 2.99Å; I5-C8 PolarHBondContact O-N 3.12Å; C8-L10 VanDerWaalsContact C-N 3.28Å; C8-L10 PolarHBondContact O-N 2.73Å; C8-L10 PolarHBondContact SG-N 2.79Å; C8-L11 HydrophobicContact CB-CD1 4.31Å; C8-L11 HydrophobicContact CB-CG 4.34Å; C8-C36 HydrophobicContact CB-CB 3.77Å; C8-C36 WeakPolarHBondContact CB-SG 3.45Å; C8-C36 WeakPolarHBondContact SG-CB 3.29Å; C8-C36 CovalentContact SG-SG 2Å; C8-C36 PolarHBondContact SG-SG 3.36Å
9	C	67.8	Low	59.7	Low	129 Å²	129	107.6 Å²	107.6	87%	0.872	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-11.5	176.5	-51.8	0	0	0	0	114.6
10	L	66.3	Low	59.3	Low	87 Å²	87	110.6 Å²	110.6	46%	0.455	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.3	-9.6	179.7	-51	174.1	0	0	0	112.9	C8 D35	C8-L10 VanDerWaalsContact C-N 3.28Å; C8-L10 PolarHBondContact O-N 2.73Å; C8-L10 PolarHBondContact SG-N 2.79Å; L10-D35 HydrophobicContact CD1-CB 4.25Å
11	L	61.2	Low	59.1	Low	34 Å²	34	109.6 Å²	109.6	18%	0.178	58%	0.584	C	S	.	*	S	Bend	trans	-92.8	128.2	-179.8	-67.3	177.3	0	0	0	110.9	I5 C8 E29 A32 H33	I5-L11 HydrophobicContact CG2-CD1 3.34Å; C8-L11 HydrophobicContact CB-CD1 4.31Å; C8-L11 HydrophobicContact CB-CG 4.34Å; L11-E29 HydrophobicContact CD2-CG 4.37Å; L11-A32 HydrophobicContact CD2-CB 3.97Å; L11-H33 HydrophobicContact CD2-CB 4.21Å
12	P	55.6	Low	59	Low	98 Å²	98	100 Å²	100	64%	0.636	55%	0.552	S	S	*	*			trans	-61	143.4	173	-19.7	30.6	0	0	0	112.3	Y14	P12-Y14 PolarHBondContact O-N 3.23Å
13	Q	53.2	Low	57.9	Low	201 Å²	201	104.4 Å²	104.4	94%	0.939	57%	0.571	S	S	*	*			trans	-87.9	92	164.6	-64.2	-173.7	1.8	0	0	108
14	Y	45	Very low	56.8	Low	182 Å²	182	110.6 Å²	110.6	71%	0.714	60%	0.6	S	S	*	*			trans	-113.9	150.2	-170.9	-146.1	-100.3	0	0	0	115	P12	P12-Y14 PolarHBondContact O-N 3.23Å
15	V	41.2	Very low	55.8	Low	127 Å²	127	106.8 Å²	106.8	77%	0.77	59%	0.59	S	S	*	*			trans	-111	123.9	179	-179	0	0	0	0	107.7
16	S	38.3	Very low	55.7	Low	107 Å²	107	110.1 Å²	110.1	75%	0.748	60%	0.604	S	S	*	*			trans	-67.9	130.8	-166.1	75.3	0	0	0	0	114.2
17	T	41.6	Very low	55.7	Low	105 Å²	105	113.4 Å²	113.4	64%	0.644	60%	0.598	S	S	*	*			trans	-130.5	118.8	155.4	50.3	0	0	0	0	107.9
18	L	42	Very low	55.6	Low	157 Å²	157	115 Å²	115	82%	0.822	60%	0.602	S	S	*	*			trans	-69.7	127.5	-174.5	-67.1	155.7	0	0	0	111.2
19	S	45.6	Very low	55.8	Low	53 Å²	53	119.9 Å²	119.9	37%	0.371	62%	0.623	S	S	.	*			trans	-152.4	170	171.2	91.2	0	0	0	0	112.4	N21 D22	S19-N21 PolarHBondContact O-N 3.22Å; S19-N21 WeakPolarHBondContact OG-CB 3.27Å; S19-N21 PolarHBondContact OG-N 3.21Å; S19-D22 PolarHBondContact N-OD1 3.24Å; S19-D22 WeakPolarHBondContact O-CB 3.46Å; S19-D22 PolarHBondContact O-N 3.31Å
20	L	51.4	Low	56.5	Low	168 Å²	168	115.6 Å²	115.6	88%	0.88	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	-12.2	178.3	-71	170.8	0	0	0	114.3	D22	L20-D22 PolarHBondContact O-N 2.94Å
21	N	56	Low	57.4	Low	89 Å²	89	113.8 Å²	113.8	48%	0.476	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.9	-8.2	172.6	-63.4	-5.3	0	0	0	113.3	S19 F23 E24 E25	S19-N21 PolarHBondContact O-N 3.22Å; S19-N21 WeakPolarHBondContact OG-CB 3.27Å; S19-N21 PolarHBondContact OG-N 3.21Å; N21-F23 PolarHBondContact O-N 2.75Å; N21-F23 VanDerWaalsContact O-N 3.1Å; N21-E24 PolarHBondContact O-N 2.76Å; N21-E24 VanDerWaalsContact O-N 3.09Å; N21-E25 HydrophobicContact CB-CG 4.36Å; N21-E25 WeakPolarHBondContact CB-OE1 3.44Å; N21-E25 WeakPolarHBondContact O-CB 3.31Å; N21-E25 WeakPolarHBondContact O-CG 3.24Å; N21-E25 PolarHBondContact O-N 3.36Å
22	D	56	Low	58.7	Low	55 Å²	55	113.2 Å²	113.2	29%	0.294	59%	0.587	S	S	.	*	H	α-helix	trans	-54.7	-33.7	-175.5	-67.5	-10	0	0	0	113.2	S19 L20 E26	S19-D22 PolarHBondContact N-OD1 3.24Å; S19-D22 WeakPolarHBondContact O-CB 3.46Å; S19-D22 PolarHBondContact O-N 3.31Å; L20-D22 PolarHBondContact O-N 2.94Å; D22-E26 WeakPolarHBondContact O-CB 3.27Å; D22-E26 WeakPolarHBondContact O-CG 3.42Å; D22-E26 PolarHBondContact O-N 2.69Å
23	F	57.3	Low	60.2	Low	162 Å²	162	109.6 Å²	109.6	71%	0.711	56%	0.562	S	S	*	*	H	α-helix	trans	-70.9	-44.1	178.2	-71.7	-74	0	0	0	112.9	N21 E25 E26 E27	N21-F23 PolarHBondContact O-N 2.75Å; N21-F23 VanDerWaalsContact O-N 3.1Å; F23-E25 VanDerWaalsContact C-N 3.31Å; F23-E26 PolarHBondContact O-N 2.94Å; F23-E27 WeakPolarHBondContact O-CG 3.34Å; F23-E27 PolarHBondContact O-N 3.01Å
24	E	58.5	Low	62.1	Low	147 Å²	147	100.5 Å²	100.5	69%	0.687	52%	0.519	S	S	*	.	H	α-helix	trans	-67.5	-37.6	176.3	-68	-176.2	174	0	0	110	N21 E27 E28	N21-E24 PolarHBondContact O-N 2.76Å; N21-E24 VanDerWaalsContact O-N 3.09Å; E24-E27 PolarHBondContact O-N 2.98Å; E24-E28 WeakPolarHBondContact O-CB 3.15Å; E24-E28 PolarHBondContact O-N 3.32Å
25	E	58.6	Low	64.4	Low	88 Å²	88	93.5 Å²	93.5	41%	0.411	49%	0.494	S	S	.	.	H	α-helix	trans	-64.4	-44.8	174.6	-72.2	178.1	-156.6	0	0	112.1	N21 F23 E27 E28 E29	N21-E25 HydrophobicContact CB-CG 4.36Å; N21-E25 WeakPolarHBondContact CB-OE1 3.44Å; N21-E25 WeakPolarHBondContact O-CB 3.31Å; N21-E25 WeakPolarHBondContact O-CG 3.24Å; N21-E25 PolarHBondContact O-N 3.36Å; F23-E25 VanDerWaalsContact C-N 3.31Å; E25-E27 PolarHBondContact O-N 3.35Å; E25-E28 PolarHBondContact O-N 2.83Å; E25-E29 WeakPolarHBondContact O-CB 3.44Å; E25-E29 PolarHBondContact O-N 3.16Å
26	E	65.7	Low	66.9	Low	116 Å²	116	87.6 Å²	87.6	54%	0.542	46%	0.459	S	S	.	.	H	α-helix	trans	-63.4	-39.4	175.9	-83	-170.6	-169	0	0	112	D22 F23 T30	D22-E26 WeakPolarHBondContact O-CB 3.27Å; D22-E26 WeakPolarHBondContact O-CG 3.42Å; D22-E26 PolarHBondContact O-N 2.69Å; F23-E26 PolarHBondContact O-N 2.94Å; E26-T30 VanDerWaalsContact O-CB 3.25Å; E26-T30 WeakPolarHBondContact O-CB 3.36Å; E26-T30 PolarHBondContact O-N 3.49Å; E26-T30 PolarHBondContact O-OG1 3.26Å
27	E	67.9	Low	69.6	Low	148 Å²	148	82.6 Å²	82.6	69%	0.692	42%	0.423	S	S	*	.	H	α-helix	trans	-68.5	-42.1	176.1	-76.6	-171.2	-178.1	0	0	111.9	F23 E24 E25 T30 S31	F23-E27 WeakPolarHBondContact O-CG 3.34Å; F23-E27 PolarHBondContact O-N 3.01Å; E24-E27 PolarHBondContact O-N 2.98Å; E25-E27 PolarHBondContact O-N 3.35Å; E27-T30 PolarHBondContact O-N 3.02Å; E27-S31 WeakPolarHBondContact O-CB 3.4Å; E27-S31 PolarHBondContact O-N 2.7Å
28	E	67.7	Low	72.2	Confident	143 Å²	143	77.6 Å²	77.6	67%	0.668	39%	0.393	S	S	*	.	H	α-helix	trans	-65.9	-44.8	177.5	-170.2	172	-167.7	0	0	111.3	E24 E25 T30 S31 A32	E24-E28 WeakPolarHBondContact O-CB 3.15Å; E24-E28 PolarHBondContact O-N 3.32Å; E25-E28 PolarHBondContact O-N 2.83Å; E28-T30 VanDerWaalsContact C-N 3.34Å; E28-T30 PolarHBondContact O-N 3.36Å; E28-S31 PolarHBondContact O-N 2.74Å; E28-A32 WeakPolarHBondContact O-CB 3.31Å; E28-A32 PolarHBondContact O-N 2.92Å
29	E	75.4	Confident	74.7	Confident	121 Å²	121	75 Å²	75	57%	0.565	38%	0.377	S	S	*	.	H	α-helix	trans	-61.8	-42.8	175.3	-170.5	179.8	-176.4	0	0	111	L11 E25 S31 A32 H33	L11-E29 HydrophobicContact CD2-CG 4.37Å; E25-E29 WeakPolarHBondContact O-CB 3.44Å; E25-E29 PolarHBondContact O-N 3.16Å; E29-S31 PolarHBondContact O-N 2.81Å; E29-A32 PolarHBondContact O-N 3.43Å; E29-H33 WeakPolarHBondContact O-CB 3.42Å; E29-H33 PolarHBondContact O-N 3Å
30	T	81.7	Confident	77.1	Confident	40 Å²	40	73.6 Å²	73.6	25%	0.245	36%	0.363	C	S	.	.	H	α-helix	trans	-61.5	-44.7	175.4	-61.4	0	0	0	0	111	E26 E27 E28 H33 E34	E26-T30 VanDerWaalsContact O-CB 3.25Å; E26-T30 WeakPolarHBondContact O-CB 3.36Å; E26-T30 PolarHBondContact O-N 3.49Å; E26-T30 PolarHBondContact O-OG1 3.26Å; E27-T30 PolarHBondContact O-N 3.02Å; E28-T30 VanDerWaalsContact C-N 3.34Å; E28-T30 PolarHBondContact O-N 3.36Å; T30-H33 WeakPolarHBondContact O-CB 3.31Å; T30-H33 PolarHBondContact O-N 2.94Å; T30-E34 WeakPolarHBondContact O-CG 3.4Å; T30-E34 PolarHBondContact O-N 3.3Å
31	S	86	Confident	79.2	Confident	49 Å²	49	65.6 Å²	65.6	34%	0.343	32%	0.322	S	S	.	.	H	α-helix	trans	-66.2	-43.7	179.4	-175.6	0	0	0	0	112.3	E27 E28 E29 H33 E34 D35 K124	E27-S31 WeakPolarHBondContact O-CB 3.4Å; E27-S31 PolarHBondContact O-N 2.7Å; E28-S31 PolarHBondContact O-N 2.74Å; E29-S31 PolarHBondContact O-N 2.81Å; S31-H33 VanDerWaalsContact C-N 3.32Å; S31-H33 PolarHBondContact O-N 3.09Å; S31-E34 PolarHBondContact O-N 2.92Å; S31-D35 PolarHBondContact O-N 2.88Å; S31-K124 PolarHBondContact O-NZ 2.84Å; S31-K124 PolarHBondContact OG-NZ 3.24Å
32	A	87.8	Confident	81	Confident	21 Å²	21	62.2 Å²	62.2	17%	0.174	30%	0.303	C	S	.	.	H	α-helix	trans	-61.9	-42.2	176.3	0	0	0	0	0	111.1	L11 E28 E29 E34 D35 C36	L11-A32 HydrophobicContact CD2-CB 3.97Å; E28-A32 WeakPolarHBondContact O-CB 3.31Å; E28-A32 PolarHBondContact O-N 2.92Å; E29-A32 PolarHBondContact O-N 3.43Å; A32-E34 PolarHBondContact O-N 3.46Å; A32-D35 PolarHBondContact O-N 3.25Å; A32-C36 PolarHBondContact O-N 3.33Å; A32-C36 PolarHBondContact O-SG 3.41Å
33	H	87.4	Confident	82.9	Confident	22 Å²	22	63.7 Å²	63.7	10%	0.102	31%	0.311	C	S	.	.	H	α-helix	trans	-59.5	-44.5	173.9	172.9	-112.6	0	0	0	112.4	I5 L11 E29 T30 S31 D35 C36 I37 F56	I5-H33 WeakPolarHBondContact CD1-NE2 3.5Å; I5-H33 VanDerWaalsContact CG1-NE2 3.35Å; I5-H33 WeakPolarHBondContact CG1-NE2 3.44Å; L11-H33 HydrophobicContact CD2-CB 4.21Å; E29-H33 WeakPolarHBondContact O-CB 3.42Å; E29-H33 PolarHBondContact O-N 3Å; T30-H33 WeakPolarHBondContact O-CB 3.31Å; T30-H33 PolarHBondContact O-N 2.94Å; S31-H33 VanDerWaalsContact C-N 3.32Å; S31-H33 PolarHBondContact O-N 3.09Å; H33-D35 VanDerWaalsContact C-N 3.32Å; H33-D35 PolarHBondContact O-N 3.42Å; H33-C36 WeakPolarHBondContact O-CB 3.35Å; H33-C36 PolarHBondContact O-N 2.98Å; H33-I37 WeakPolarHBondContact CE1-CD1 3.29Å; H33-I37 VanDerWaalsContact NE2-CD1 3.31Å; H33-I37 WeakPolarHBondContact NE2-CD1 3.48Å; H33-I37 WeakPolarHBondContact O-CG1 3.28Å; H33-I37 PolarHBondContact O-N 2.83Å; H33-I37 VanDerWaalsContact O-N 3.14Å; H33-F56 PolarHBondContact CE1-O 3.11Å
34	E	93.2	Very high	84.7	Confident	10 Å²	10	59 Å²	59	5%	0.047	29%	0.289	C	S	.	.	H	α-helix	trans	-64.3	-35.6	176	-68	167.1	169.8	0	0	112.4	T30 S31 A32 A38 Q117 N120 V121 K124	T30-E34 WeakPolarHBondContact O-CG 3.4Å; T30-E34 PolarHBondContact O-N 3.3Å; S31-E34 PolarHBondContact O-N 2.92Å; A32-E34 PolarHBondContact O-N 3.46Å; E34-A38 WeakPolarHBondContact O-CB 3.35Å; E34-A38 PolarHBondContact O-N 3.28Å; E34-Q117 PolarHBondContact OE1-NE2 3.43Å; E34-N120 VanDerWaalsContact CD-CB 3.41Å; E34-N120 HydrophobicContact CG-CB 4.32Å; E34-N120 WeakPolarHBondContact OE1-CB 3.22Å; E34-N120 PolarHBondContact OE1-ND2 3.27Å; E34-N120 WeakPolarHBondContact OE2-CB 3.41Å; E34-V121 HydrophobicContact CB-CG2 3.99Å; E34-V121 HydrophobicContact CG-CG2 3.99Å; E34-K124 HydrophobicContact CB-CD 3.59Å; E34-K124 VanDerWaalsContact OE2-CE 3.23Å; E34-K124 WeakPolarHBondContact OE2-CE 3.44Å; E34-K124 IonicContact OE2-NZ 2.72Å
35	D	92.7	Very high	86.4	Confident	35 Å²	35	52.1 Å²	52.1	19%	0.187	26%	0.256	C	S	.	.	H	α-helix	trans	-68.5	-42.1	176.2	-80.8	-44.2	0	0	0	112	L10 S31 A32 H33 I37 A38 E39 K124 R128	L10-D35 HydrophobicContact CD1-CB 4.25Å; S31-D35 PolarHBondContact O-N 2.88Å; A32-D35 PolarHBondContact O-N 3.25Å; H33-D35 VanDerWaalsContact C-N 3.32Å; H33-D35 PolarHBondContact O-N 3.42Å; D35-I37 VanDerWaalsContact C-N 3.32Å; D35-I37 PolarHBondContact O-N 2.98Å; D35-A38 PolarHBondContact O-N 3.44Å; D35-E39 WeakPolarHBondContact O-CB 3.13Å; D35-E39 PolarHBondContact O-N 3.12Å; D35-K124 VanDerWaalsContact OD1-CD 3.25Å; D35-K124 WeakPolarHBondContact OD1-CD 3.36Å; D35-K124 IonicContact OD1-NZ 3.89Å; D35-K124 PolarHBondContact OD1-NZ 2.81Å; D35-K124 IonicContact OD2-NZ 3.55Å; D35-K124 PolarHBondContact OD2-NZ 3.22Å; D35-R128 IonicContact OD1-CZ 3.3Å; D35-R128 VanDerWaalsContact OD1-CZ 3.3Å; D35-R128 IonicContact OD1-NH1 3.04Å; D35-R128 PolarHBondContact OD1-NH1 3.04Å; D35-R128 IonicContact OD1-NH2 3.16Å; D35-R128 PolarHBondContact OD1-NH2 3.16Å
36	C	94.1	Very high	88	Confident	4 Å²	4	53.3 Å²	53.3	3%	0.027	26%	0.258	C	S	.	.	H	α-helix	trans	-53.6	-50.2	172.3	-67.3	0	0	0	0	112	F3 C8 A32 H33 A38 Y40	F3-C36 HydrophobicContact CE2-CB 4.49Å; F3-C36 HydrophobicContact CZ-CB 3.82Å; C8-C36 HydrophobicContact CB-CB 3.77Å; C8-C36 WeakPolarHBondContact CB-SG 3.45Å; C8-C36 WeakPolarHBondContact SG-CB 3.29Å; C8-C36 CovalentContact SG-SG 2Å; C8-C36 PolarHBondContact SG-SG 3.36Å; A32-C36 PolarHBondContact O-N 3.33Å; A32-C36 PolarHBondContact O-SG 3.41Å; H33-C36 WeakPolarHBondContact O-CB 3.35Å; H33-C36 PolarHBondContact O-N 2.98Å; C36-A38 VanDerWaalsContact C-N 3.35Å; C36-Y40 WeakPolarHBondContact O-CB 3.26Å; C36-Y40 PolarHBondContact O-N 2.89Å
37	I	95.8	Very high	89.3	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-63.8	-44.9	-179	-70.1	167.6	0	0	0	109.8	F3 H33 D35 Y40 A41 V53 F56 V121 F205	F3-I37 HydrophobicContact CE1-CG1 3.97Å; H33-I37 WeakPolarHBondContact CE1-CD1 3.29Å; H33-I37 VanDerWaalsContact NE2-CD1 3.31Å; H33-I37 WeakPolarHBondContact NE2-CD1 3.48Å; H33-I37 WeakPolarHBondContact O-CG1 3.28Å; H33-I37 PolarHBondContact O-N 2.83Å; H33-I37 VanDerWaalsContact O-N 3.14Å; D35-I37 VanDerWaalsContact C-N 3.32Å; D35-I37 PolarHBondContact O-N 2.98Å; I37-Y40 PolarHBondContact O-N 3.33Å; I37-A41 WeakPolarHBondContact O-CB 3.44Å; I37-A41 PolarHBondContact O-N 3.46Å; I37-V53 HydrophobicContact CD1-CG1 4.25Å; I37-V53 HydrophobicContact CG1-CG1 4.14Å; I37-V53 HydrophobicContact CG2-CG2 4.15Å; I37-F56 HydrophobicContact CD1-CD2 3.79Å; I37-F56 HydrophobicContact CD1-CE2 4.02Å; I37-F56 HydrophobicContact CG2-CE2 4.3Å; I37-V121 HydrophobicContact CB-CG1 4.38Å; I37-V121 HydrophobicContact CB-CG2 4.42Å; I37-V121 HydrophobicContact CG2-CG1 3.62Å; I37-V121 HydrophobicContact CG2-CG2 4.26Å; I37-F205 HydrophobicContact CG2-CE2 4.24Å; I37-F205 HydrophobicContact CG2-CZ 4.09Å
38	A	95.4	Very high	90.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.9	-48.2	-179.7	0	0	0	0	0	111.5	E34 D35 C36 A41 I42 K124 I125	E34-A38 WeakPolarHBondContact O-CB 3.35Å; E34-A38 PolarHBondContact O-N 3.28Å; D35-A38 PolarHBondContact O-N 3.44Å; C36-A38 VanDerWaalsContact C-N 3.35Å; A38-A41 PolarHBondContact O-N 3.16Å; A38-I42 WeakPolarHBondContact O-CB 3.49Å; A38-I42 VanDerWaalsContact O-CD1 3.3Å; A38-I42 WeakPolarHBondContact O-CD1 3.24Å; A38-I42 WeakPolarHBondContact O-CG1 3.47Å; A38-I42 PolarHBondContact O-N 3.32Å; A38-K124 HydrophobicContact CB-CB 3.63Å; A38-I125 HydrophobicContact CB-CG1 3.8Å
39	E	94.5	Very high	91.8	Very high	104 Å²	104	43.1 Å²	43.1	49%	0.486	22%	0.215	S	C	.	.	H	α-helix	trans	-61.1	-47.1	178.1	-176	177.3	176.2	0	0	111.6	D35 A41 I42 N43	D35-E39 WeakPolarHBondContact O-CB 3.13Å; D35-E39 PolarHBondContact O-N 3.12Å; E39-A41 VanDerWaalsContact C-N 3.34Å; E39-A41 PolarHBondContact O-N 2.74Å; E39-I42 PolarHBondContact O-N 3.02Å; E39-N43 WeakPolarHBondContact O-CB 3.25Å; E39-N43 PolarHBondContact O-N 3.12Å; E39-N43 PolarHBondContact O-ND2 2.87Å; E39-N43 VanDerWaalsContact O-ND2 3.15Å
40	Y	95.9	Very high	92.9	Very high	23 Å²	23	38.3 Å²	38.3	9%	0.09	19%	0.192	C	C	.	.	H	α-helix	trans	-57.7	-48.1	175.1	172.5	-97.6	0	0	0	111.7	R1 F3 C36 I37 N43 R44 A51 I52 V53	R1-Y40 PolarHBondContact O-OH 2.93Å; F3-Y40 HydrophobicContact CB-CD1 3.61Å; F3-Y40 HydrophobicContact CB-CD2 3.77Å; F3-Y40 HydrophobicContact CB-CE1 3.49Å; F3-Y40 VanDerWaalsContact CB-CE1 3.49Å; F3-Y40 HydrophobicContact CB-CE2 3.62Å; F3-Y40 HydrophobicContact CB-CG 3.75Å; F3-Y40 VanDerWaalsContact CB-CZ 3.48Å; F3-Y40 HydrophobicContact CD2-CD1 4.38Å; F3-Y40 AromaticContact CD2-CD2 3.73Å; F3-Y40 HydrophobicContact CD2-CD2 3.73Å; F3-Y40 HydrophobicContact CD2-CE2 4.33Å; F3-Y40 AromaticContact CD2-CG 3.73Å; F3-Y40 HydrophobicContact CD2-CG 3.73Å; F3-Y40 HydrophobicContact CG-CD1 4.07Å; F3-Y40 HydrophobicContact CG-CD2 4.11Å; F3-Y40 HydrophobicContact CG-CE1 4.43Å; F3-Y40 HydrophobicContact CG-CE2 4.42Å; F3-Y40 AromaticContact CG-CG 3.9Å; F3-Y40 HydrophobicContact CG-CG 3.9Å; F3-Y40 PolarHBondContact N-OH 2.98Å; C36-Y40 WeakPolarHBondContact O-CB 3.26Å; C36-Y40 PolarHBondContact O-N 2.89Å; I37-Y40 PolarHBondContact O-N 3.33Å; Y40-N43 PolarHBondContact O-N 2.98Å; Y40-R44 HydrophobicContact CD1-CG 4.32Å; Y40-R44 HydrophobicContact CD2-CG 4.06Å; Y40-R44 HydrophobicContact CE1-CG 3.88Å; Y40-R44 HydrophobicContact CE2-CG 3.63Å; Y40-R44 HydrophobicContact CG-CG 4.4Å; Y40-R44 VanDerWaalsContact O-CB 3.3Å; Y40-R44 WeakPolarHBondContact O-CB 3.41Å; Y40-R44 VanDerWaalsContact O-CG 3.29Å; Y40-R44 WeakPolarHBondContact O-CG 3.42Å; Y40-R44 PolarHBondContact O-N 3.24Å; Y40-R44 PolarHBondContact OH-NE 3.12Å; Y40-A51 HydrophobicContact CD1-CB 4.3Å; Y40-A51 HydrophobicContact CE1-CB 3.9Å; Y40-I52 WeakPolarHBondContact CE1-O 3.22Å; Y40-I52 PolarHBondContact OH-O 2.89Å; Y40-V53 HydrophobicContact CD1-CG2 3.77Å; Y40-V53 HydrophobicContact CE1-CG2 3.92Å
41	A	95.9	Very high	93.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.6	-45.2	-178.2	0	0	0	0	0	111.1	I37 A38 E39 R44 L45 A51 I125 F205	I37-A41 WeakPolarHBondContact O-CB 3.44Å; I37-A41 PolarHBondContact O-N 3.46Å; A38-A41 PolarHBondContact O-N 3.16Å; E39-A41 VanDerWaalsContact C-N 3.34Å; E39-A41 PolarHBondContact O-N 2.74Å; A41-R44 PolarHBondContact O-N 2.88Å; A41-L45 WeakPolarHBondContact O-CB 3.26Å; A41-L45 WeakPolarHBondContact O-CG 3.15Å; A41-L45 PolarHBondContact O-N 2.78Å; A41-A51 HydrophobicContact CB-CB 4.28Å; A41-I125 HydrophobicContact CB-CD1 3.75Å; A41-I125 HydrophobicContact CB-CG1 4.41Å; A41-F205 HydrophobicContact CB-CD2 4.2Å; A41-F205 HydrophobicContact CB-CE2 4.43Å; A41-F205 HydrophobicContact CB-CG 4.36Å
42	I	94.5	Very high	94.2	Very high	18 Å²	18	34.1 Å²	34.1	9%	0.092	16%	0.164	C	C	.	.	H	α-helix	trans	-57.5	-54.2	176.1	-68.8	158	0	0	0	110.4	A38 E39 R44 L45 Y46 I125 R128	A38-I42 WeakPolarHBondContact O-CB 3.49Å; A38-I42 VanDerWaalsContact O-CD1 3.3Å; A38-I42 WeakPolarHBondContact O-CD1 3.24Å; A38-I42 WeakPolarHBondContact O-CG1 3.47Å; A38-I42 PolarHBondContact O-N 3.32Å; E39-I42 PolarHBondContact O-N 3.02Å; I42-R44 VanDerWaalsContact C-N 3.26Å; I42-R44 PolarHBondContact O-N 3.15Å; I42-L45 PolarHBondContact O-N 2.84Å; I42-Y46 HydrophobicContact CG2-CD2 3.65Å; I42-Y46 HydrophobicContact CG2-CE2 3.73Å; I42-Y46 WeakPolarHBondContact O-CD2 3.49Å; I42-Y46 PolarHBondContact O-N 2.96Å; I42-I125 HydrophobicContact CG1-CB 4.38Å; I42-I125 HydrophobicContact CG1-CG1 4.21Å; I42-I125 HydrophobicContact CG1-CG2 4.01Å; I42-R128 HydrophobicContact CD1-CB 3.48Å; I42-R128 VanDerWaalsContact CD1-CB 3.48Å; I42-R128 HydrophobicContact CD1-CG 4.26Å
43	N	94.1	Very high	94.7	Very high	86 Å²	86	33.1 Å²	33.1	46%	0.46	16%	0.156	S	C	.	.	H	α-helix	trans	-57.6	-41.5	-178	-77.6	-36.5	0	0	0	111.5	E39 Y40 S47	E39-N43 WeakPolarHBondContact O-CB 3.25Å; E39-N43 PolarHBondContact O-N 3.12Å; E39-N43 PolarHBondContact O-ND2 2.87Å; E39-N43 VanDerWaalsContact O-ND2 3.15Å; Y40-N43 PolarHBondContact O-N 2.98Å; N43-S47 VanDerWaalsContact O-CB 3.28Å; N43-S47 WeakPolarHBondContact O-CB 3.29Å; N43-S47 PolarHBondContact O-N 2.92Å; N43-S47 PolarHBondContact O-OG 2.81Å
44	R	95.3	Very high	95.1	Very high	64 Å²	64	33.5 Å²	33.5	24%	0.242	16%	0.159	C	C	.	.	H	α-helix	trans	-74.7	-38.4	179.1	-75.1	-65.4	-163.1	-91.7	-2.6	113.4	Y40 A41 I42 S47 R48 G49 W50 A51	Y40-R44 HydrophobicContact CD1-CG 4.32Å; Y40-R44 HydrophobicContact CD2-CG 4.06Å; Y40-R44 HydrophobicContact CE1-CG 3.88Å; Y40-R44 HydrophobicContact CE2-CG 3.63Å; Y40-R44 HydrophobicContact CG-CG 4.4Å; Y40-R44 VanDerWaalsContact O-CB 3.3Å; Y40-R44 WeakPolarHBondContact O-CB 3.41Å; Y40-R44 VanDerWaalsContact O-CG 3.29Å; Y40-R44 WeakPolarHBondContact O-CG 3.42Å; Y40-R44 PolarHBondContact O-N 3.24Å; Y40-R44 PolarHBondContact OH-NE 3.12Å; A41-R44 PolarHBondContact O-N 2.88Å; I42-R44 VanDerWaalsContact C-N 3.26Å; I42-R44 PolarHBondContact O-N 3.15Å; R44-S47 PolarHBondContact O-N 2.74Å; R44-R48 WeakPolarHBondContact O-CA 3.3Å; R44-R48 WeakPolarHBondContact O-CB 3.15Å; R44-R48 PolarHBondContact O-N 3.49Å; R44-G49 PolarHBondContact O-N 2.68Å; R44-W50 CarbonylContact C-O 3.54Å; R44-W50 WeakPolarHBondContact CB-O 3.34Å; R44-A51 HydrophobicContact CB-CB 3.55Å; R44-A51 HydrophobicContact CG-CB 4.27Å
45	L	94.1	Very high	95.1	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-61.7	-45.6	174.3	-77.1	170.5	0	0	0	110.9	A41 I42 G49 I165 F205 W207	A41-L45 WeakPolarHBondContact O-CB 3.26Å; A41-L45 WeakPolarHBondContact O-CG 3.15Å; A41-L45 PolarHBondContact O-N 2.78Å; I42-L45 PolarHBondContact O-N 2.84Å; L45-G49 WeakPolarHBondContact O-CA 3.34Å; L45-G49 PolarHBondContact O-N 2.69Å; L45-I165 HydrophobicContact CD1-CD1 3.95Å; L45-F205 HydrophobicContact CD2-CB 4.38Å; L45-W207 HydrophobicContact CB-CH2 4.12Å; L45-W207 HydrophobicContact CB-CZ2 3.58Å; L45-W207 HydrophobicContact CD1-CH2 4.44Å; L45-W207 HydrophobicContact CD2-CD2 4.19Å; L45-W207 HydrophobicContact CD2-CG 4.48Å; L45-W207 PolarHBondContact O-NE1 3.48Å
46	Y	92.9	Very high	95.3	Very high	113 Å²	113	32.5 Å²	32.5	44%	0.443	16%	0.159	S	C	.	.	H	α-helix	trans	-69.7	-40.4	177.3	-79.6	-68.7	0	0	0	113.2	I42 L129 S130	I42-Y46 HydrophobicContact CG2-CD2 3.65Å; I42-Y46 HydrophobicContact CG2-CE2 3.73Å; I42-Y46 WeakPolarHBondContact O-CD2 3.49Å; I42-Y46 PolarHBondContact O-N 2.96Å; Y46-L129 HydrophobicContact CE2-CD2 3.66Å; Y46-S130 PolarHBondContact OH-OG 2.87Å; Y46-S130 VanDerWaalsContact OH-OG 3.14Å
47	S	92.7	Very high	95.3	Very high	75 Å²	75	32.8 Å²	32.8	52%	0.524	16%	0.161	S	C	.	.	H	α-helix	trans	-84.1	-26.3	-176.3	59.5	0	0	0	0	115	N43 R44	N43-S47 VanDerWaalsContact O-CB 3.28Å; N43-S47 WeakPolarHBondContact O-CB 3.29Å; N43-S47 PolarHBondContact O-N 2.92Å; N43-S47 PolarHBondContact O-OG 2.81Å; R44-S47 PolarHBondContact O-N 2.74Å
48	R	94.5	Very high	95.2	Very high	112 Å²	112	34.1 Å²	34.1	42%	0.423	18%	0.175	S	C	.	.	H	α-helix	trans	-135.2	-8.3	-171.4	-59.8	-170.2	177.4	-147.2	-7.5	115.1	R44 W50 S189	R44-R48 WeakPolarHBondContact O-CA 3.3Å; R44-R48 WeakPolarHBondContact O-CB 3.15Å; R44-R48 PolarHBondContact O-N 3.49Å; R48-W50 PolarHBondContact O-N 3.31Å; R48-W50 PolarHBondContact O-NE1 2.8Å; R48-S189 VanDerWaalsContact C-OG 3.24Å; R48-S189 PolarHBondContact O-OG 3.49Å
49	G	94.7	Very high	95.1	Very high	6 Å²	6	40.8 Å²	40.8	6%	0.062	21%	0.206	C	C	.	.	S	Bend	trans	81.2	-9.3	-175.9	0	0	0	0	0	115.6	R44 L45 F206 W207 N212	R44-G49 PolarHBondContact O-N 2.68Å; L45-G49 WeakPolarHBondContact O-CA 3.34Å; L45-G49 PolarHBondContact O-N 2.69Å; G49-F206 WeakPolarHBondContact O-CA 3.21Å; G49-W207 VanDerWaalsContact CA-CD1 3.47Å; G49-W207 PolarHBondContact O-N 2.87Å; G49-N212 PolarHBondContact O-ND2 3.33Å
50	W	97.2	Very high	95.2	Very high	21 Å²	21	46.8 Å²	46.8	8%	0.08	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	158.3	-177.1	62	-92.6	0	0	0	111.9	R44 R48 I52 L185 I194 F205 F206	R44-W50 CarbonylContact C-O 3.54Å; R44-W50 WeakPolarHBondContact CB-O 3.34Å; R48-W50 PolarHBondContact O-N 3.31Å; R48-W50 PolarHBondContact O-NE1 2.8Å; W50-I52 HydrophobicContact CE3-CD1 3.85Å; W50-I52 HydrophobicContact CE3-CG1 3.72Å; W50-I52 HydrophobicContact CH2-CD1 4.08Å; W50-I52 HydrophobicContact CZ3-CB 4.22Å; W50-I52 HydrophobicContact CZ3-CD1 3.32Å; W50-I52 HydrophobicContact CZ3-CG1 3.54Å; W50-L185 HydrophobicContact CB-CD1 3.69Å; W50-L185 HydrophobicContact CD2-CD1 4.31Å; W50-L185 HydrophobicContact CG-CD1 3.75Å; W50-I194 HydrophobicContact CD2-CG2 4.41Å; W50-I194 HydrophobicContact CH2-CG2 3.91Å; W50-I194 HydrophobicContact CZ2-CB 4.36Å; W50-I194 HydrophobicContact CZ2-CD1 4.08Å; W50-I194 HydrophobicContact CZ2-CG1 3.98Å; W50-I194 HydrophobicContact CZ2-CG2 3.57Å; W50-I194 HydrophobicContact CZ3-CG2 4.49Å; W50-F205 CarbonylContact C-O 3.49Å; W50-F205 WeakPolarHBondContact CA-O 3.32Å; W50-F205 WeakPolarHBondContact CB-O 3.48Å; W50-F206 HydrophobicContact CB-CB 3.85Å
51	A	97.5	Very high	95.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	143.8	176.6	0	0	0	0	0	111.1	Y40 A41 R44 T204 F205	Y40-A51 HydrophobicContact CD1-CB 4.3Å; Y40-A51 HydrophobicContact CE1-CB 3.9Å; A41-A51 HydrophobicContact CB-CB 4.28Å; R44-A51 HydrophobicContact CB-CB 3.55Å; R44-A51 HydrophobicContact CG-CB 4.27Å; A51-T204 CarbonylContact O-C 3.59Å; A51-T204 VanDerWaalsContact O-CA 3.31Å; A51-T204 WeakPolarHBondContact O-CA 3.49Å; A51-T204 WeakPolarHBondContact O-CG2 3.26Å; A51-F205 HydrophobicContact CB-CB 4.26Å; A51-F205 HydrophobicContact CB-CD2 4.17Å; A51-F205 PolarHBondContact N-O 3.11Å; A51-F205 PolarHBondContact O-N 2.87Å
52	I	98.1	Very high	95.2	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.4	176	-61.9	164.8	0	0	0	109.3	H2 F3 Y40 W50 V196 R202 M203 T204	H2-I52 HydrophobicContact CB-CG2 4.16Å; F3-I52 PolarHBondContact N-O 3.08Å; Y40-I52 WeakPolarHBondContact CE1-O 3.22Å; Y40-I52 PolarHBondContact OH-O 2.89Å; W50-I52 HydrophobicContact CE3-CD1 3.85Å; W50-I52 HydrophobicContact CE3-CG1 3.72Å; W50-I52 HydrophobicContact CH2-CD1 4.08Å; W50-I52 HydrophobicContact CZ3-CB 4.22Å; W50-I52 HydrophobicContact CZ3-CD1 3.32Å; W50-I52 HydrophobicContact CZ3-CG1 3.54Å; I52-V196 HydrophobicContact CD1-CB 4.39Å; I52-V196 HydrophobicContact CD1-CG1 4.12Å; I52-V196 HydrophobicContact CD1-CG2 3.61Å; I52-V196 HydrophobicContact CG1-CG1 4.34Å; I52-V196 HydrophobicContact CG1-CG2 4.18Å; I52-R202 HydrophobicContact CG2-CG 3.92Å; I52-M203 WeakPolarHBondContact CA-O 3.43Å; I52-T204 HydrophobicContact CG1-CG2 4.14Å
53	V	97.5	Very high	95.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	121.5	-177.6	169.6	0	0	0	0	108.5	F3 I37 Y40 F56 R202 M203 F205	F3-V53 HydrophobicContact CB-CG2 4.21Å; F3-V53 HydrophobicContact CD1-CG1 4.02Å; F3-V53 HydrophobicContact CD1-CG2 4.22Å; I37-V53 HydrophobicContact CD1-CG1 4.25Å; I37-V53 HydrophobicContact CG1-CG1 4.14Å; I37-V53 HydrophobicContact CG2-CG2 4.15Å; Y40-V53 HydrophobicContact CD1-CG2 3.77Å; Y40-V53 HydrophobicContact CE1-CG2 3.92Å; V53-F56 HydrophobicContact CG1-CB 4.37Å; V53-F56 HydrophobicContact CG1-CD2 4.23Å; V53-R202 CarbonylContact O-C 3.52Å; V53-R202 WeakPolarHBondContact O-CA 3.45Å; V53-M203 HydrophobicContact CB-CB 4.32Å; V53-M203 PolarHBondContact N-O 3.03Å; V53-M203 PolarHBondContact O-N 3.02Å; V53-F205 HydrophobicContact CB-CE2 4.43Å; V53-F205 HydrophobicContact CG2-CE2 3.96Å
54	D	96.2	Very high	95.6	Very high	29 Å²	29	52 Å²	52	16%	0.155	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	141.2	171.5	-71.3	-30.8	0	0	0	109.4	H2 F3 R202	H2-D54 IonicContact CG-OD2 3.64Å; H2-D54 IonicContact ND1-OD2 2.73Å; F3-D54 PolarHBondContact O-N 3.3Å; D54-R202 VanDerWaalsContact CG-NH2 3.29Å; D54-R202 IonicContact OD1-CZ 3.66Å; D54-R202 IonicContact OD1-NE 2.82Å; D54-R202 PolarHBondContact OD1-NE 2.86Å; D54-R202 IonicContact OD1-NH2 3.83Å; D54-R202 PolarHBondContact OD1-NH2 3.36Å; D54-R202 IonicContact OD2-CZ 2.74Å; D54-R202 IonicContact OD2-NH2 2.68Å; D54-R202 PolarHBondContact OD2-NH2 2.63Å
55	G	93.9	Very high	95.7	Very high	23 Å²	23	49.1 Å²	49.1	24%	0.237	23%	0.233	C	C	.	.	S	Bend	trans	88.8	18.2	177.7	0	0	0	0	0	114.9	I5 V57 G58 D201	I5-G55 WeakPolarHBondContact CD1-O 3.37Å; G55-V57 VanDerWaalsContact C-N 3.33Å; G55-V57 PolarHBondContact O-N 3.1Å; G55-V57 VanDerWaalsContact O-N 3.08Å; G55-G58 PolarHBondContact O-N 3.21Å; G55-G58 VanDerWaalsContact O-N 3.17Å; G55-D201 VanDerWaalsContact C-CG 3.45Å; G55-D201 WeakPolarHBondContact CA-OD2 3.32Å; G55-D201 PolarHBondContact N-O 2.92Å
56	F	96.3	Very high	95.8	Very high	1 Å²	1	49.1 Å²	49.1	0%	0.004	23%	0.233	C	C	.	.	S	Bend	trans	-52.2	-37.5	-163.2	-179	-109.5	0	0	0	116.2	H33 I37 V53 L114 Q117 F118 V121 Y169 D201 M203 F205	H33-F56 PolarHBondContact CE1-O 3.11Å; I37-F56 HydrophobicContact CD1-CD2 3.79Å; I37-F56 HydrophobicContact CD1-CE2 4.02Å; I37-F56 HydrophobicContact CG2-CE2 4.3Å; V53-F56 HydrophobicContact CG1-CB 4.37Å; V53-F56 HydrophobicContact CG1-CD2 4.23Å; F56-L114 HydrophobicContact CD1-CD1 3.99Å; F56-L114 HydrophobicContact CE1-CD1 4.01Å; F56-Q117 HydrophobicContact CE1-CB 4.04Å; F56-Q117 HydrophobicContact CZ-CB 4.2Å; F56-F118 AromaticContact CE1-CD2 3.78Å; F56-F118 HydrophobicContact CE1-CD2 3.78Å; F56-F118 HydrophobicContact CE1-CE2 4.07Å; F56-F118 HydrophobicContact CZ-CD2 4.29Å; F56-V121 HydrophobicContact CE2-CG2 3.97Å; F56-V121 HydrophobicContact CZ-CG2 4.22Å; F56-Y169 HydrophobicContact CB-CD2 4.29Å; F56-Y169 HydrophobicContact CB-CE2 3.96Å; F56-Y169 AromaticContact CD1-CD2 3.93Å; F56-Y169 HydrophobicContact CD1-CD2 3.93Å; F56-Y169 AromaticContact CD1-CE2 4Å; F56-Y169 HydrophobicContact CD1-CE2 4Å; F56-Y169 HydrophobicContact CG-CD2 4.45Å; F56-Y169 HydrophobicContact CG-CE2 4.44Å; F56-D201 PolarHBondContact N-O 3.04Å; F56-D201 VanDerWaalsContact N-O 3.14Å; F56-D201 PolarHBondContact N-OD1 3.44Å; F56-D201 PolarHBondContact N-OD2 2.99Å; F56-M203 HydrophobicContact CB-CB 3.87Å; F56-M203 HydrophobicContact CD1-CB 4.33Å; F56-M203 HydrophobicContact CD1-CE 4.1Å; F56-M203 HydrophobicContact CD2-CB 3.93Å; F56-M203 HydrophobicContact CD2-CE 4.44Å; F56-M203 HydrophobicContact CD2-CG 4.15Å; F56-M203 HydrophobicContact CE1-CE 3.62Å; F56-M203 HydrophobicContact CE2-CE 3.97Å; F56-M203 HydrophobicContact CE2-CG 4.37Å; F56-M203 HydrophobicContact CG-CB 3.78Å; F56-M203 HydrophobicContact CG-CG 4.33Å; F56-M203 HydrophobicContact CZ-CE 3.55Å; F56-F205 HydrophobicContact CE2-CZ 4.36Å
57	V	94.8	Very high	96	Very high	10 Å²	10	47.6 Å²	47.6	6%	0.061	23%	0.23	C	C	.	.	S	Bend	trans	-120.5	-1.8	173.5	-65	0	0	0	0	113.6	G55 R61 A62 F113 L114 Q117 Y169 D201	G55-V57 VanDerWaalsContact C-N 3.33Å; G55-V57 PolarHBondContact O-N 3.1Å; G55-V57 VanDerWaalsContact O-N 3.08Å; V57-R61 HydrophobicContact CB-CB 4.18Å; V57-R61 HydrophobicContact CG2-CB 3.93Å; V57-R61 WeakPolarHBondContact O-CD 3.3Å; V57-A62 HydrophobicContact CG2-CB 4.35Å; V57-F113 HydrophobicContact CB-CE1 4.28Å; V57-F113 HydrophobicContact CG1-CE1 4.13Å; V57-L114 HydrophobicContact CG1-CD1 3.7Å; V57-L114 HydrophobicContact CG2-CD1 4.41Å; V57-Q117 HydrophobicContact CG1-CB 4.18Å; V57-Q117 HydrophobicContact CG1-CG 4.12Å; V57-Y169 HydrophobicContact CG2-CE2 4.46Å; V57-Y169 VanDerWaalsContact CG2-OH 3.28Å; V57-Y169 WeakPolarHBondContact CG2-OH 3.26Å; V57-D201 WeakPolarHBondContact CG2-OD1 3.21Å; V57-D201 PolarHBondContact N-OD1 2.97Å
58	G	93.2	Very high	96.2	Very high	30 Å²	30	45.2 Å²	45.2	31%	0.309	21%	0.21	S	C	.	.			trans	86.5	146.7	-173.7	0	0	0	0	0	112.9	G55 R60 R61 A62 D201	G55-G58 PolarHBondContact O-N 3.21Å; G55-G58 VanDerWaalsContact O-N 3.17Å; G58-R60 VanDerWaalsContact C-N 3.34Å; G58-R60 PolarHBondContact O-N 3.32Å; G58-R61 PolarHBondContact O-N 2.83Å; G58-R61 VanDerWaalsContact O-N 3.14Å; G58-A62 WeakPolarHBondContact O-CB 3.41Å; G58-A62 PolarHBondContact O-N 3.48Å; G58-D201 WeakPolarHBondContact CA-OD2 3.03Å; G58-D201 PolarHBondContact N-OD2 2.96Å
59	Q	93.4	Very high	96.3	Very high	140 Å²	140	39.9 Å²	39.9	65%	0.654	19%	0.19	S	C	*	.	H	α-helix	trans	-55.7	-43.2	-170.8	-68.3	-170.1	0.9	0	0	113.9	R61 A62 Y63	Q59-R61 VanDerWaalsContact C-N 3.35Å; Q59-R61 PolarHBondContact O-N 2.92Å; Q59-A62 PolarHBondContact O-N 3.11Å; Q59-Y63 VanDerWaalsContact O-CD2 3.25Å; Q59-Y63 WeakPolarHBondContact O-CD2 3.22Å; Q59-Y63 PolarHBondContact O-N 2.89Å
60	R	96	Very high	96.3	Very high	229 Å²	229	44 Å²	44	86%	0.864	20%	0.204	S	C	*	.	H	α-helix	trans	-57.7	-48.2	-179.5	-179.4	178.8	174.2	168.2	-2	111.2	G58 A64	G58-R60 VanDerWaalsContact C-N 3.34Å; G58-R60 PolarHBondContact O-N 3.32Å; R60-A64 PolarHBondContact O-N 2.94Å
61	R	95.7	Very high	96.2	Very high	100 Å²	100	46.6 Å²	46.6	38%	0.377	22%	0.219	S	C	.	.	H	α-helix	trans	-68.4	-41.6	177.7	-66.1	-174	177.1	136	-6.6	110.6	V57 G58 Q59 Y63 A64 V65 F113	V57-R61 HydrophobicContact CB-CB 4.18Å; V57-R61 HydrophobicContact CG2-CB 3.93Å; V57-R61 WeakPolarHBondContact O-CD 3.3Å; G58-R61 PolarHBondContact O-N 2.83Å; G58-R61 VanDerWaalsContact O-N 3.14Å; Q59-R61 VanDerWaalsContact C-N 3.35Å; Q59-R61 PolarHBondContact O-N 2.92Å; R61-Y63 VanDerWaalsContact C-N 3.33Å; R61-Y63 PolarHBondContact O-N 2.93Å; R61-A64 WeakPolarHBondContact O-CB 3.48Å; R61-A64 PolarHBondContact O-N 2.86Å; R61-V65 VanDerWaalsContact O-CG2 3.31Å; R61-V65 WeakPolarHBondContact O-CG2 3.38Å; R61-V65 PolarHBondContact O-N 2.72Å; R61-F113 VanDerWaalsContact CZ-CZ 3.45Å
62	A	97.7	Very high	96	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-57.7	-41.8	177.6	0	0	0	0	0	113.2	V57 G58 Q59 L66 Y169 L200 D201	V57-A62 HydrophobicContact CG2-CB 4.35Å; G58-A62 WeakPolarHBondContact O-CB 3.41Å; G58-A62 PolarHBondContact O-N 3.48Å; Q59-A62 PolarHBondContact O-N 3.11Å; A62-L66 WeakPolarHBondContact O-CB 3.44Å; A62-L66 PolarHBondContact O-N 2.9Å; A62-Y169 WeakPolarHBondContact CB-OH 3.43Å; A62-L200 HydrophobicContact CB-CD1 3.73Å; A62-L200 HydrophobicContact CB-CD2 4.47Å; A62-L200 HydrophobicContact CB-CG 3.97Å; A62-D201 HydrophobicContact CB-CB 3.67Å
63	Y	98.1	Very high	95.8	Very high	108 Å²	108	49.6 Å²	49.6	42%	0.424	23%	0.232	S	C	.	.	H	α-helix	trans	-66.6	-38.3	174	-84.9	-72.7	0	0	0	112.6	Q59 R61 L66 E67 P173 L200	Q59-Y63 VanDerWaalsContact O-CD2 3.25Å; Q59-Y63 WeakPolarHBondContact O-CD2 3.22Å; Q59-Y63 PolarHBondContact O-N 2.89Å; R61-Y63 VanDerWaalsContact C-N 3.33Å; R61-Y63 PolarHBondContact O-N 2.93Å; Y63-L66 PolarHBondContact O-N 2.87Å; Y63-E67 PolarHBondContact O-N 3.36Å; Y63-P173 HydrophobicContact CE1-CB 3.93Å; Y63-P173 HydrophobicContact CE1-CG 4.04Å; Y63-L200 HydrophobicContact CD1-CD2 4.41Å; Y63-L200 HydrophobicContact CD2-CD2 3.8Å; Y63-L200 HydrophobicContact CE1-CD2 4.07Å; Y63-L200 HydrophobicContact CE2-CD2 3.39Å; Y63-L200 HydrophobicContact CG-CD2 4.28Å
64	A	97.8	Very high	95.5	Very high	30 Å²	30	56.6 Å²	56.6	25%	0.248	26%	0.262	C	S	.	.	H	α-helix	trans	-65.9	-43.3	176.9	0	0	0	0	0	111.9	R60 R61 L66 E67 E68 N110	R60-A64 PolarHBondContact O-N 2.94Å; R61-A64 WeakPolarHBondContact O-CB 3.48Å; R61-A64 PolarHBondContact O-N 2.86Å; A64-L66 VanDerWaalsContact C-N 3.34Å; A64-L66 PolarHBondContact O-N 3.25Å; A64-E67 PolarHBondContact O-N 3.26Å; A64-E68 PolarHBondContact O-N 3.49Å; A64-E68 VanDerWaalsContact O-N 3.09Å; A64-N110 HydrophobicContact CB-CB 4.03Å; A64-N110 VanDerWaalsContact CB-CG 3.48Å; A64-N110 WeakPolarHBondContact CB-OD1 3.42Å
65	V	97.6	Very high	95.5	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.012	28%	0.281	C	S	.	.	H	α-helix	trans	-58.6	-45.9	172.4	176.2	0	0	0	0	110.7	R61 E67 E68 A69 N110 I111 L114 Y169 M171	R61-V65 VanDerWaalsContact O-CG2 3.31Å; R61-V65 WeakPolarHBondContact O-CG2 3.38Å; R61-V65 PolarHBondContact O-N 2.72Å; V65-E67 VanDerWaalsContact C-N 3.29Å; V65-E67 PolarHBondContact O-N 2.94Å; V65-E68 PolarHBondContact O-N 3.4Å; V65-A69 WeakPolarHBondContact O-CB 3.44Å; V65-A69 PolarHBondContact O-N 2.82Å; V65-N110 HydrophobicContact CG2-CB 3.92Å; V65-N110 WeakPolarHBondContact CG2-O 3.13Å; V65-I111 HydrophobicContact CG1-CG1 3.87Å; V65-L114 HydrophobicContact CG1-CD2 3.79Å; V65-L114 HydrophobicContact CG2-CB 4.15Å; V65-Y169 HydrophobicContact CG1-CE1 4.47Å; V65-M171 HydrophobicContact CG1-CG 4.27Å; V65-M171 HydrophobicContact CG1-SD 3.5Å; V65-M171 VanDerWaalsContact CG1-SD 3.5Å
66	L	97	Very high	95.4	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-58.7	-42.1	178.2	173.5	60.2	0	0	0	111.8	A62 Y63 A64 A69 R70 M171 P173 V226	A62-L66 WeakPolarHBondContact O-CB 3.44Å; A62-L66 PolarHBondContact O-N 2.9Å; Y63-L66 PolarHBondContact O-N 2.87Å; A64-L66 VanDerWaalsContact C-N 3.34Å; A64-L66 PolarHBondContact O-N 3.25Å; L66-A69 PolarHBondContact O-N 3.38Å; L66-R70 HydrophobicContact CD1-CG 4.2Å; L66-R70 WeakPolarHBondContact O-CB 3.38Å; L66-R70 VanDerWaalsContact O-CG 3.29Å; L66-R70 WeakPolarHBondContact O-CG 3.34Å; L66-R70 PolarHBondContact O-N 3.25Å; L66-M171 HydrophobicContact CB-CB 4.17Å; L66-M171 HydrophobicContact CD1-CB 3.94Å; L66-M171 WeakPolarHBondContact CD1-O 3.42Å; L66-M171 VanDerWaalsContact CD2-O 3.25Å; L66-M171 WeakPolarHBondContact CD2-O 3.45Å; L66-P173 HydrophobicContact CD2-CG 3.98Å; L66-V226 HydrophobicContact CD1-CB 4.29Å; L66-V226 HydrophobicContact CD1-CG2 4.23Å
67	E	96.6	Very high	95.3	Very high	81 Å²	81	63.6 Å²	63.6	38%	0.379	32%	0.317	S	S	.	.	H	α-helix	trans	-67.3	-42	-179.8	-168.9	55.7	-152.5	0	0	111.7	Y63 A64 V65 A69 R70 N71 K74	Y63-E67 PolarHBondContact O-N 3.36Å; A64-E67 PolarHBondContact O-N 3.26Å; V65-E67 VanDerWaalsContact C-N 3.29Å; V65-E67 PolarHBondContact O-N 2.94Å; E67-A69 PolarHBondContact O-N 3.04Å; E67-R70 WeakPolarHBondContact O-CB 3.45Å; E67-R70 PolarHBondContact O-N 3.36Å; E67-R70 IonicContact OE2-NH1 3.11Å; E67-N71 VanDerWaalsContact O-CG 3.25Å; E67-N71 PolarHBondContact O-N 3.01Å; E67-N71 PolarHBondContact O-ND2 3.3Å; E67-K74 IonicContact OE1-NZ 3.12Å
68	E	97	Very high	95.2	Very high	25 Å²	25	64 Å²	64	12%	0.117	32%	0.318	C	S	.	.	H	α-helix	trans	-60.8	-44.8	172.7	-70.7	-179.2	178.5	0	0	111.8	A64 V65 R70 N71 L72 S108 V109 N110 I111	A64-E68 PolarHBondContact O-N 3.49Å; A64-E68 VanDerWaalsContact O-N 3.09Å; V65-E68 PolarHBondContact O-N 3.4Å; E68-R70 VanDerWaalsContact C-N 3.29Å; E68-R70 PolarHBondContact O-N 3.47Å; E68-N71 PolarHBondContact O-N 2.86Å; E68-N71 VanDerWaalsContact O-N 3.12Å; E68-L72 WeakPolarHBondContact O-CG 3.06Å; E68-L72 PolarHBondContact O-N 3.03Å; E68-S108 VanDerWaalsContact OE2-CA 3.23Å; E68-S108 WeakPolarHBondContact OE2-CA 3.37Å; E68-V109 PolarHBondContact OE1-N 2.91Å; E68-V109 VanDerWaalsContact OE1-N 3.17Å; E68-V109 PolarHBondContact OE2-N 3.32Å; E68-N110 WeakPolarHBondContact OE1-CB 3.43Å; E68-N110 PolarHBondContact OE1-N 3.09Å; E68-N110 PolarHBondContact OE1-ND2 2.87Å; E68-N110 WeakPolarHBondContact OE2-CA 3.48Å; E68-N110 WeakPolarHBondContact OE2-CB 3.44Å; E68-N110 PolarHBondContact OE2-N 2.82Å; E68-I111 HydrophobicContact CB-CD1 3.65Å; E68-I111 HydrophobicContact CB-CG1 4.04Å; E68-I111 WeakPolarHBondContact OE2-CG1 3.45Å; E68-I111 PolarHBondContact OE2-N 2.86Å
69	A	95.7	Very high	95.2	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62.3	-37.3	177.7	0	0	0	0	0	111.9	V65 L66 E67 Y73 I111 L142 M171 V226	V65-A69 WeakPolarHBondContact O-CB 3.44Å; V65-A69 PolarHBondContact O-N 2.82Å; L66-A69 PolarHBondContact O-N 3.38Å; E67-A69 PolarHBondContact O-N 3.04Å; A69-Y73 PolarHBondContact O-N 2.84Å; A69-I111 HydrophobicContact CB-CD1 4.44Å; A69-L142 HydrophobicContact CB-CD1 4.38Å; A69-M171 HydrophobicContact CB-SD 4.16Å; A69-V226 HydrophobicContact CB-CG1 3.87Å
70	R	94.7	Very high	95	Very high	92 Å²	92	61.5 Å²	61.5	35%	0.347	32%	0.318	S	S	.	.	H	α-helix	trans	-66.7	-39.2	173.4	-76.9	171.6	172.4	168.7	0.9	112.3	L66 E67 E68 Y73 K74	L66-R70 HydrophobicContact CD1-CG 4.2Å; L66-R70 WeakPolarHBondContact O-CB 3.38Å; L66-R70 VanDerWaalsContact O-CG 3.29Å; L66-R70 WeakPolarHBondContact O-CG 3.34Å; L66-R70 PolarHBondContact O-N 3.25Å; E67-R70 WeakPolarHBondContact O-CB 3.45Å; E67-R70 PolarHBondContact O-N 3.36Å; E67-R70 IonicContact OE2-NH1 3.11Å; E68-R70 VanDerWaalsContact C-N 3.29Å; E68-R70 PolarHBondContact O-N 3.47Å; R70-Y73 WeakPolarHBondContact O-CB 3.37Å; R70-Y73 PolarHBondContact O-N 3.24Å; R70-K74 VanDerWaalsContact O-CG 3.29Å; R70-K74 WeakPolarHBondContact O-CG 3.49Å; R70-K74 PolarHBondContact O-N 3.23Å
71	N	94.9	Very high	94	Very high	76 Å²	76	51 Å²	51	41%	0.406	28%	0.281	S	S	.	.	H	α-helix	trans	-68.3	-40.6	178.3	-69.9	-24.9	0	0	0	111.6	E67 E68 Y73 K74 S75	E67-N71 VanDerWaalsContact O-CG 3.25Å; E67-N71 PolarHBondContact O-N 3.01Å; E67-N71 PolarHBondContact O-ND2 3.3Å; E68-N71 PolarHBondContact O-N 2.86Å; E68-N71 VanDerWaalsContact O-N 3.12Å; N71-Y73 VanDerWaalsContact C-N 3.3Å; N71-Y73 PolarHBondContact O-N 3.44Å; N71-K74 PolarHBondContact O-N 2.77Å; N71-S75 PolarHBondContact O-N 3.21Å
72	L	94.7	Very high	92.8	Very high	17 Å²	17	52.6 Å²	52.6	9%	0.089	29%	0.293	C	S	.	.	H	α-helix	trans	-60.2	-39.7	169.2	-70.4	171.3	0	0	0	111.7	E68 S75 V77 F78 Y99 M101 I111 L142	E68-L72 WeakPolarHBondContact O-CG 3.06Å; E68-L72 PolarHBondContact O-N 3.03Å; L72-S75 PolarHBondContact O-N 2.91Å; L72-S75 PolarHBondContact O-OG 3.24Å; L72-V77 HydrophobicContact CB-CG2 4.35Å; L72-V77 HydrophobicContact CD2-CG2 4.44Å; L72-V77 VanDerWaalsContact O-CG2 3.29Å; L72-V77 WeakPolarHBondContact O-CG2 3.34Å; L72-F78 HydrophobicContact CB-CE2 3.89Å; L72-Y99 HydrophobicContact CD1-CD1 4.43Å; L72-Y99 HydrophobicContact CD1-CE1 4.28Å; L72-Y99 HydrophobicContact CD2-CE1 4.33Å; L72-M101 HydrophobicContact CD1-CE 4.5Å; L72-M101 HydrophobicContact CD1-SD 4.24Å; L72-I111 HydrophobicContact CD1-CD1 3.71Å; L72-L142 HydrophobicContact CD1-CD1 3.77Å
73	Y	92.2	Very high	90.8	Very high	48 Å²	48	53.7 Å²	53.7	19%	0.188	30%	0.299	C	S	.	.	H	α-helix	trans	-64.3	-46.4	175.4	-175.4	-94.9	0	0	0	112.1	A69 R70 N71 S75 G76 F78 F97 C144 R224	A69-Y73 PolarHBondContact O-N 2.84Å; R70-Y73 WeakPolarHBondContact O-CB 3.37Å; R70-Y73 PolarHBondContact O-N 3.24Å; N71-Y73 VanDerWaalsContact C-N 3.3Å; N71-Y73 PolarHBondContact O-N 3.44Å; Y73-S75 VanDerWaalsContact C-N 3.26Å; Y73-S75 PolarHBondContact O-N 3.01Å; Y73-G76 PolarHBondContact O-N 2.86Å; Y73-G76 VanDerWaalsContact O-N 3.16Å; Y73-F78 HydrophobicContact CD2-CB 3.97Å; Y73-F78 AromaticContact CD2-CD1 3.86Å; Y73-F78 HydrophobicContact CD2-CD1 3.86Å; Y73-F78 AromaticContact CD2-CD2 3.99Å; Y73-F78 HydrophobicContact CD2-CD2 3.99Å; Y73-F78 HydrophobicContact CD2-CE1 4.3Å; Y73-F78 HydrophobicContact CD2-CE2 4.41Å; Y73-F78 AromaticContact CD2-CG 3.68Å; Y73-F78 HydrophobicContact CD2-CG 3.68Å; Y73-F78 HydrophobicContact CE2-CB 4.24Å; Y73-F78 HydrophobicContact CE2-CD1 4.47Å; Y73-F78 HydrophobicContact CE2-CG 4.37Å; Y73-F97 HydrophobicContact CE2-CB 4.15Å; Y73-F97 HydrophobicContact CE2-CD2 4.31Å; Y73-F97 HydrophobicContact CE2-CG 4.3Å; Y73-C144 HydrophobicContact CD2-CB 3.89Å; Y73-C144 HydrophobicContact CE2-CB 3.87Å; Y73-R224 VanDerWaalsContact CE1-NE 3.31Å; Y73-R224 PolarHBondContact OH-NE 3.29Å; Y73-R224 PolarHBondContact OH-NH2 3.14Å
74	K	92.8	Very high	88.4	Confident	146 Å²	146	52.3 Å²	52.3	64%	0.635	31%	0.306	S	S	*	.	H	α-helix	trans	-63.5	-28.5	179.2	-71.1	169.3	-171.7	166.7	0	113	E67 R70 N71 G76	E67-K74 IonicContact OE1-NZ 3.12Å; R70-K74 VanDerWaalsContact O-CG 3.29Å; R70-K74 WeakPolarHBondContact O-CG 3.49Å; R70-K74 PolarHBondContact O-N 3.23Å; N71-K74 PolarHBondContact O-N 2.77Å; K74-G76 PolarHBondContact O-N 2.97Å
75	S	94.9	Very high	85.7	Confident	78 Å²	78	53.4 Å²	53.4	55%	0.545	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-9.5	177.9	73.2	0	0	0	0	113.7	N71 L72 Y73	N71-S75 PolarHBondContact O-N 3.21Å; L72-S75 PolarHBondContact O-N 2.91Å; L72-S75 PolarHBondContact O-OG 3.24Å; Y73-S75 VanDerWaalsContact C-N 3.26Å; Y73-S75 PolarHBondContact O-N 3.01Å
76	G	92.8	Very high	83.1	Confident	58 Å²	58	61 Å²	61	60%	0.598	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	10.1	175.4	0	0	0	0	0	114.9	Y73 K74 F78	Y73-G76 PolarHBondContact O-N 2.86Å; Y73-G76 VanDerWaalsContact O-N 3.16Å; K74-G76 PolarHBondContact O-N 2.97Å; G76-F78 PolarHBondContact O-N 3.3Å
77	V	94	Very high	80.3	Confident	65 Å²	65	64.8 Å²	64.8	39%	0.394	38%	0.38	S	S	.	.			trans	-75.3	-11.2	179.8	-61.7	0	0	0	0	114	L72 Y99	L72-V77 HydrophobicContact CB-CG2 4.35Å; L72-V77 HydrophobicContact CD2-CG2 4.44Å; L72-V77 VanDerWaalsContact O-CG2 3.29Å; L72-V77 WeakPolarHBondContact O-CG2 3.34Å; V77-Y99 HydrophobicContact CB-CD2 3.88Å; V77-Y99 HydrophobicContact CB-CE2 3.87Å; V77-Y99 HydrophobicContact CG2-CD1 4.18Å; V77-Y99 HydrophobicContact CG2-CD2 3.71Å; V77-Y99 HydrophobicContact CG2-CE1 4.26Å; V77-Y99 HydrophobicContact CG2-CE2 3.83Å; V77-Y99 HydrophobicContact CG2-CG 3.9Å; V77-Y99 WeakPolarHBondContact O-CD2 3.4Å
78	F	93.5	Very high	77.7	Confident	19 Å²	19	63.3 Å²	63.3	8%	0.083	38%	0.382	C	S	.	.			trans	-78.8	133.3	176.6	-81	-114.4	0	0	0	111	L72 Y73 G76 F97 I98 Y99 L142 C144	L72-F78 HydrophobicContact CB-CE2 3.89Å; Y73-F78 HydrophobicContact CD2-CB 3.97Å; Y73-F78 AromaticContact CD2-CD1 3.86Å; Y73-F78 HydrophobicContact CD2-CD1 3.86Å; Y73-F78 AromaticContact CD2-CD2 3.99Å; Y73-F78 HydrophobicContact CD2-CD2 3.99Å; Y73-F78 HydrophobicContact CD2-CE1 4.3Å; Y73-F78 HydrophobicContact CD2-CE2 4.41Å; Y73-F78 AromaticContact CD2-CG 3.68Å; Y73-F78 HydrophobicContact CD2-CG 3.68Å; Y73-F78 HydrophobicContact CE2-CB 4.24Å; Y73-F78 HydrophobicContact CE2-CD1 4.47Å; Y73-F78 HydrophobicContact CE2-CG 4.37Å; G76-F78 PolarHBondContact O-N 3.3Å; F78-F97 HydrophobicContact CB-CB 4.11Å; F78-F97 HydrophobicContact CD1-CB 4.14Å; F78-I98 WeakPolarHBondContact CA-O 3.4Å; F78-Y99 HydrophobicContact CD2-CG 4.41Å; F78-Y99 HydrophobicContact CE2-CD1 4.48Å; F78-Y99 HydrophobicContact CE2-CG 4.38Å; F78-L142 HydrophobicContact CE1-CB 3.91Å; F78-L142 HydrophobicContact CZ-CB 3.64Å; F78-L142 HydrophobicContact CZ-CD1 4.16Å; F78-C144 HydrophobicContact CD1-CB 4.34Å; F78-C144 HydrophobicContact CE1-CB 4.24Å
79	A	92.6	Very high	75.1	Confident	59 Å²	59	68.9 Å²	68.9	49%	0.488	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	155.4	175.4	0	0	0	0	0	110.8	G81 F97 I98	A79-G81 PolarHBondContact O-N 3.35Å; A79-F97 CarbonylContact O-C 3.56Å; A79-F97 VanDerWaalsContact O-CA 3.28Å; A79-F97 WeakPolarHBondContact O-CA 3.25Å; A79-I98 PolarHBondContact N-O 3.25Å; A79-I98 PolarHBondContact O-N 2.87Å
80	A	87.9	Confident	73.1	Confident	58 Å²	58	72.3 Å²	72.3	48%	0.479	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	133.8	173.4	0	0	0	0	0	110.2	Q82 F97	A80-Q82 PolarHBondContact O-N 3.12Å; A80-Q82 VanDerWaalsContact O-N 3.12Å; A80-F97 HydrophobicContact CB-CD1 4.46Å; A80-F97 HydrophobicContact CB-CE1 4.39Å
81	G	76.6	Confident	71.1	Confident	9 Å²	9	72.5 Å²	72.5	9%	0.093	44%	0.437	C	S	.	.			trans	-62.5	112.7	177.6	0	0	0	0	0	110	A79 D96	A79-G81 PolarHBondContact O-N 3.35Å; G81-D96 WeakPolarHBondContact CA-O 3.24Å; G81-D96 PolarHBondContact N-O 3.41Å
82	Q	69.7	Low	69.7	Low	132 Å²	132	74.4 Å²	74.4	62%	0.617	45%	0.447	S	S	*	.			trans	-108.4	143.1	-179.9	-70.5	179.1	-11.2	0	0	110.8	A80	A80-Q82 PolarHBondContact O-N 3.12Å; A80-Q82 VanDerWaalsContact O-N 3.12Å
83	V	55.5	Low	68.8	Low	23 Å²	23	74.6 Å²	74.6	14%	0.139	45%	0.447	C	S	.	.			trans	-101.2	122.5	166.2	-173.5	0	0	0	0	107.9	H85 F93 R94 Q246	V83-H85 VanDerWaalsContact C-N 3.34Å; V83-H85 PolarHBondContact O-N 2.79Å; V83-F93 HydrophobicContact CG2-CB 3.9Å; V83-F93 HydrophobicContact CG2-CD1 3.3Å; V83-F93 HydrophobicContact CG2-CE1 3.94Å; V83-F93 HydrophobicContact CG2-CG 3.81Å; V83-R94 HydrophobicContact CG2-CG 4.36Å; V83-Q246 HydrophobicContact CG1-CB 4.35Å
84	S	47.6	Very low	68.6	Low	80 Å²	80	72.8 Å²	72.8	56%	0.559	44%	0.44	S	S	*	.			trans	-75.1	88.4	167.7	62	0	0	0	0	109
85	H	41.1	Very low	68.5	Low	53 Å²	53	68.1 Å²	68.1	25%	0.245	43%	0.426	C	S	.	.	B	Isolated β-bridge	trans	-107.7	100.8	167.9	-168.7	73.2	0	0	0	109.2	V83 G87 A88	V83-H85 VanDerWaalsContact C-N 3.34Å; V83-H85 PolarHBondContact O-N 2.79Å; H85-G87 PolarHBondContact O-N 3.47Å; H85-A88 PolarHBondContact O-N 2.77Å
86	Q	43.8	Very low	68.4	Low	160 Å²	160	64.5 Å²	64.5	75%	0.748	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	40.9	42	165.9	-63.6	-176.2	-22.7	0	0	115.6	A88	Q86-A88 PolarHBondContact O-N 2.86Å
87	G	38.2	Very low	68.5	Low	81 Å²	81	65 Å²	65	84%	0.835	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	-6.7	-179	0	0	0	0	0	116.5	H85	H85-G87 PolarHBondContact O-N 3.47Å
88	A	41.9	Very low	68.5	Low	51 Å²	51	62.9 Å²	62.9	42%	0.421	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-93.4	115.7	174.6	0	0	0	0	0	110.9	H85 Q86 E90	H85-A88 PolarHBondContact O-N 2.77Å; Q86-A88 PolarHBondContact O-N 2.86Å; A88-E90 PolarHBondContact O-N 2.64Å
89	H	43	Very low	68.5	Low	142 Å²	142	64.7 Å²	64.7	66%	0.657	38%	0.379	S	S	*	.			trans	-68.9	107.1	168.2	-72.9	-91	0	0	0	108.9	P91	H89-P91 WeakPolarHBondContact O-CD 3.46Å
90	E	53.1	Low	68.6	Low	71 Å²	71	65.7 Å²	65.7	33%	0.332	37%	0.371	S	S	.	.			trans	-100.3	83.5	167.1	-74.2	-164.9	-163.2	0	0	109.8	A88 N92 F93 K248	A88-E90 PolarHBondContact O-N 2.64Å; E90-N92 PolarHBondContact O-N 2.85Å; E90-F93 PolarHBondContact O-N 3.44Å; E90-F93 VanDerWaalsContact O-N 3.16Å; E90-K248 IonicContact OE1-NZ 2.85Å; E90-K248 PolarHBondContact OE1-NZ 3.45Å; E90-K248 WeakPolarHBondContact OE2-CE 3.25Å; E90-K248 IonicContact OE2-NZ 2.89Å; E90-K248 PolarHBondContact OE2-NZ 3.17Å
91	P	51.8	Low	68.9	Low	96 Å²	96	63.4 Å²	63.4	62%	0.623	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-15.2	176.6	22.8	-32.4	0	0	0	113.1	H89 F93	H89-P91 WeakPolarHBondContact O-CD 3.46Å; P91-F93 PolarHBondContact O-N 2.89Å
92	N	65.2	Low	69.4	Low	116 Å²	116	67.5 Å²	67.5	62%	0.62	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-6.9	179.7	-71	-20.6	0	0	0	114.5	E90 R150 V152	E90-N92 PolarHBondContact O-N 2.85Å; N92-R150 PolarHBondContact O-NH1 2.92Å; N92-R150 PolarHBondContact O-NH2 3.36Å; N92-V152 WeakPolarHBondContact O-CG1 3.23Å
93	F	77	Confident	70.1	Confident	21 Å²	21	61.7 Å²	61.7	9%	0.092	35%	0.345	C	S	.	.	S	Bend	trans	-85.7	-46.4	-175.6	-167.9	-85.9	0	0	0	112.3	V83 E90 P91 Y151 V152 H154 Q246	V83-F93 HydrophobicContact CG2-CB 3.9Å; V83-F93 HydrophobicContact CG2-CD1 3.3Å; V83-F93 HydrophobicContact CG2-CE1 3.94Å; V83-F93 HydrophobicContact CG2-CG 3.81Å; E90-F93 PolarHBondContact O-N 3.44Å; E90-F93 VanDerWaalsContact O-N 3.16Å; P91-F93 PolarHBondContact O-N 2.89Å; F93-Y151 HydrophobicContact CD1-CD2 4.4Å; F93-Y151 AromaticContact CD1-CE2 3.75Å; F93-Y151 HydrophobicContact CD1-CE2 3.75Å; F93-Y151 HydrophobicContact CE1-CD2 4.21Å; F93-Y151 AromaticContact CE1-CE2 3.27Å; F93-Y151 HydrophobicContact CE1-CE2 3.27Å; F93-Y151 AromaticContact CE1-CZ 3.9Å; F93-Y151 HydrophobicContact CZ-CE2 4.09Å; F93-V152 HydrophobicContact CB-CG2 4.39Å; F93-V152 HydrophobicContact CD1-CG2 4.04Å; F93-V152 HydrophobicContact CD2-CG2 3.29Å; F93-V152 HydrophobicContact CE1-CG2 4.16Å; F93-V152 HydrophobicContact CE2-CG2 3.36Å; F93-V152 HydrophobicContact CG-CG2 3.65Å; F93-V152 HydrophobicContact CZ-CG2 3.84Å; F93-V152 WeakPolarHBondContact O-CG2 3.05Å; F93-V152 PolarHBondContact O-N 2.87Å; F93-H154 HydrophobicContact CZ-CB 3.94Å; F93-Q246 HydrophobicContact CE1-CB 4.39Å; F93-Q246 HydrophobicContact CZ-CB 4.32Å
94	R	88.1	Confident	71.6	Confident	10 Å²	10	67.5 Å²	67.5	4%	0.038	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-144.3	144.7	170.5	66.9	-173.2	-65.1	170.4	-0.5	109.8	V83 D96 M141 R150 Y151	V83-R94 HydrophobicContact CG2-CG 4.36Å; R94-D96 IonicContact CZ-OD1 3.23Å; R94-D96 IonicContact CZ-OD2 3.04Å; R94-D96 IonicContact NE-OD1 2.87Å; R94-D96 PolarHBondContact NE-OD1 2.66Å; R94-D96 IonicContact NE-OD2 3.36Å; R94-D96 VanDerWaalsContact NH2-CG 3.31Å; R94-D96 IonicContact NH2-OD1 2.73Å; R94-D96 PolarHBondContact NH2-OD1 2.88Å; R94-D96 VanDerWaalsContact NH2-OD1 3.15Å; R94-D96 IonicContact NH2-OD2 4Å; R94-D96 PolarHBondContact NH2-OD2 3.41Å; R94-M141 PolarHBondContact NH2-SD 3.35Å; R94-R150 WeakPolarHBondContact CA-O 3.21Å; R94-Y151 HydrophobicContact CB-CD1 4.03Å; R94-Y151 HydrophobicContact CB-CD2 4.13Å; R94-Y151 HydrophobicContact CB-CE1 4.2Å; R94-Y151 HydrophobicContact CB-CE2 4.34Å; R94-Y151 HydrophobicContact CB-CG 3.97Å; R94-Y151 VanDerWaalsContact CZ-CE1 3.48Å
95	S	90.2	Very high	73.4	Confident	49 Å²	49	67.2 Å²	67.2	34%	0.343	37%	0.368	S	S	.	.			trans	-130.2	22.8	-176.6	49.6	0	0	0	0	113.5	A149 R150	S95-A149 VanDerWaalsContact O-CB 3.27Å; S95-A149 WeakPolarHBondContact O-CB 3.03Å; S95-A149 VanDerWaalsContact OG-CA 3.27Å; S95-A149 WeakPolarHBondContact OG-CA 3.44Å; S95-R150 PolarHBondContact N-O 2.71Å; S95-R150 PolarHBondContact OG-N 3.44Å; S95-R150 PolarHBondContact OG-O 3.49Å
96	D	92.7	Very high	75.5	Confident	2 Å²	2	74 Å²	74	1%	0.011	40%	0.397	C	S	.	.			trans	-83.4	167.5	170.1	65.1	-42.3	0	0	0	112.2	G81 R94 I98 S143 C144 Y145	G81-D96 WeakPolarHBondContact CA-O 3.24Å; G81-D96 PolarHBondContact N-O 3.41Å; R94-D96 IonicContact CZ-OD1 3.23Å; R94-D96 IonicContact CZ-OD2 3.04Å; R94-D96 IonicContact NE-OD1 2.87Å; R94-D96 PolarHBondContact NE-OD1 2.66Å; R94-D96 IonicContact NE-OD2 3.36Å; R94-D96 VanDerWaalsContact NH2-CG 3.31Å; R94-D96 IonicContact NH2-OD1 2.73Å; R94-D96 PolarHBondContact NH2-OD1 2.88Å; R94-D96 VanDerWaalsContact NH2-OD1 3.15Å; R94-D96 IonicContact NH2-OD2 4Å; R94-D96 PolarHBondContact NH2-OD2 3.41Å; D96-I98 VanDerWaalsContact OD2-CG2 3.24Å; D96-I98 WeakPolarHBondContact OD2-CG2 3.45Å; D96-S143 VanDerWaalsContact OD2-CB 3.3Å; D96-S143 WeakPolarHBondContact OD2-CB 3.4Å; D96-S143 PolarHBondContact OD2-OG 3.41Å; D96-C144 WeakPolarHBondContact CA-O 3.42Å; D96-Y145 HydrophobicContact CB-CD1 3.74Å; D96-Y145 HydrophobicContact CB-CD2 3.91Å; D96-Y145 HydrophobicContact CB-CE1 3.64Å; D96-Y145 HydrophobicContact CB-CE2 3.8Å; D96-Y145 HydrophobicContact CB-CG 3.86Å
97	F	94.2	Very high	77.5	Confident	69 Å²	69	70.2 Å²	70.2	30%	0.303	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	138.3	166.2	-66.3	-85.5	0	0	0	109.6	Y73 F78 A79 A80 S143 C144 P146	Y73-F97 HydrophobicContact CE2-CB 4.15Å; Y73-F97 HydrophobicContact CE2-CD2 4.31Å; Y73-F97 HydrophobicContact CE2-CG 4.3Å; F78-F97 HydrophobicContact CB-CB 4.11Å; F78-F97 HydrophobicContact CD1-CB 4.14Å; A79-F97 CarbonylContact O-C 3.56Å; A79-F97 VanDerWaalsContact O-CA 3.28Å; A79-F97 WeakPolarHBondContact O-CA 3.25Å; A80-F97 HydrophobicContact CB-CD1 4.46Å; A80-F97 HydrophobicContact CB-CE1 4.39Å; F97-S143 CarbonylContact O-C 3.53Å; F97-S143 VanDerWaalsContact O-CA 3.26Å; F97-S143 WeakPolarHBondContact O-CA 3.36Å; F97-C144 HydrophobicContact CB-CB 4.39Å; F97-C144 PolarHBondContact N-O 2.99Å; F97-C144 PolarHBondContact O-N 3.17Å; F97-P146 HydrophobicContact CD2-CG 4.26Å; F97-P146 HydrophobicContact CE2-CG 3.98Å
98	I	94.4	Very high	80.1	Confident	20 Å²	20	66.4 Å²	66.4	10%	0.103	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	146.7	-175.8	67.2	177.8	0	0	0	112.9	F78 A79 D96 W100 M141 L142 S143	F78-I98 WeakPolarHBondContact CA-O 3.4Å; A79-I98 PolarHBondContact N-O 3.25Å; A79-I98 PolarHBondContact O-N 2.87Å; D96-I98 VanDerWaalsContact OD2-CG2 3.24Å; D96-I98 WeakPolarHBondContact OD2-CG2 3.45Å; I98-W100 HydrophobicContact CD1-CZ2 4.43Å; I98-M141 HydrophobicContact CB-CG 4.12Å; I98-M141 HydrophobicContact CB-SD 4.33Å; I98-M141 HydrophobicContact CD1-SD 4.5Å; I98-M141 HydrophobicContact CG2-CG 4.19Å; I98-M141 HydrophobicContact CG2-SD 3.9Å; I98-L142 CarbonylContact C-O 3.55Å; I98-L142 VanDerWaalsContact CA-O 3.25Å; I98-L142 WeakPolarHBondContact CA-O 3.49Å; I98-S143 WeakPolarHBondContact CG2-OG 3.41Å
99	Y	94.7	Very high	82.7	Confident	56 Å²	56	68.6 Å²	68.6	22%	0.22	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	132.9	167.8	175.3	-116.1	0	0	0	110	L72 V77 F78 M101 L142	L72-Y99 HydrophobicContact CD1-CD1 4.43Å; L72-Y99 HydrophobicContact CD1-CE1 4.28Å; L72-Y99 HydrophobicContact CD2-CE1 4.33Å; V77-Y99 HydrophobicContact CB-CD2 3.88Å; V77-Y99 HydrophobicContact CB-CE2 3.87Å; V77-Y99 HydrophobicContact CG2-CD1 4.18Å; V77-Y99 HydrophobicContact CG2-CD2 3.71Å; V77-Y99 HydrophobicContact CG2-CE1 4.26Å; V77-Y99 HydrophobicContact CG2-CE2 3.83Å; V77-Y99 HydrophobicContact CG2-CG 3.9Å; V77-Y99 WeakPolarHBondContact O-CD2 3.4Å; F78-Y99 HydrophobicContact CD2-CG 4.41Å; F78-Y99 HydrophobicContact CE2-CD1 4.48Å; F78-Y99 HydrophobicContact CE2-CG 4.38Å; Y99-M101 HydrophobicContact CD1-CB 4.26Å; Y99-M101 HydrophobicContact CE1-CB 3.73Å; Y99-M101 HydrophobicContact CE1-CG 4.48Å; Y99-M101 HydrophobicContact CE1-SD 4.34Å; Y99-L142 HydrophobicContact CD1-CD1 4.4Å; Y99-L142 PolarHBondContact N-O 2.89Å; Y99-L142 PolarHBondContact O-N 2.91Å
100	W	94.3	Very high	85.3	Confident	80 Å²	80	64.4 Å²	64.4	30%	0.303	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.3	-178.7	-66.1	95.5	0	0	0	110.7	I98 K139 A140 M141 F244	I98-W100 HydrophobicContact CD1-CZ2 4.43Å; W100-K139 HydrophobicContact CB-CD 4.48Å; W100-K139 HydrophobicContact CE3-CB 3.93Å; W100-A140 WeakPolarHBondContact CA-O 3.17Å; W100-M141 HydrophobicContact CD2-CB 4.36Å; W100-M141 HydrophobicContact CD2-CG 4.37Å; W100-M141 HydrophobicContact CE3-CB 3.85Å; W100-M141 HydrophobicContact CE3-CG 4.34Å; W100-M141 HydrophobicContact CH2-CB 3.74Å; W100-M141 HydrophobicContact CH2-CG 3.89Å; W100-M141 HydrophobicContact CH2-SD 3.68Å; W100-M141 HydrophobicContact CZ2-CB 4.27Å; W100-M141 HydrophobicContact CZ2-CG 3.94Å; W100-M141 HydrophobicContact CZ2-SD 3.62Å; W100-M141 HydrophobicContact CZ3-CB 3.56Å; W100-M141 HydrophobicContact CZ3-CG 4.14Å; W100-M141 HydrophobicContact CZ3-SD 4.48Å; W100-F244 AromaticContact CH2-CD2 3.39Å; W100-F244 HydrophobicContact CH2-CD2 3.39Å; W100-F244 AromaticContact CH2-CE2 3.6Å; W100-F244 HydrophobicContact CH2-CE2 3.6Å; W100-F244 HydrophobicContact CH2-CG 4.34Å; W100-F244 HydrophobicContact CZ2-CD2 4.07Å; W100-F244 HydrophobicContact CZ3-CD2 4.35Å; W100-F244 HydrophobicContact CZ3-CE2 4.33Å
101	M	93.5	Very high	87.4	Confident	10 Å²	10	61 Å²	61	5%	0.049	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	158.9	-178.5	68.3	-175.7	-67.4	0	0	113.4	L72 Y99 I111 A140 L142	L72-M101 HydrophobicContact CD1-CE 4.5Å; L72-M101 HydrophobicContact CD1-SD 4.24Å; Y99-M101 HydrophobicContact CD1-CB 4.26Å; Y99-M101 HydrophobicContact CE1-CB 3.73Å; Y99-M101 HydrophobicContact CE1-CG 4.48Å; Y99-M101 HydrophobicContact CE1-SD 4.34Å; M101-I111 HydrophobicContact CE-CB 4.06Å; M101-I111 HydrophobicContact CE-CD1 4.32Å; M101-I111 HydrophobicContact CE-CG2 3.41Å; M101-I111 VanDerWaalsContact CE-CG2 3.41Å; M101-I111 HydrophobicContact SD-CD1 4.4Å; M101-I111 HydrophobicContact SD-CG2 3.68Å; M101-A140 HydrophobicContact CG-CB 4.07Å; M101-A140 PolarHBondContact N-O 2.71Å; M101-A140 PolarHBondContact O-N 2.54Å; M101-L142 HydrophobicContact SD-CD1 3.55Å; M101-L142 VanDerWaalsContact SD-CD1 3.55Å; M101-L142 HydrophobicContact SD-CD2 4.49Å; M101-L142 HydrophobicContact SD-CG 3.83Å
102	N	87.5	Confident	89.5	Confident	95 Å²	95	57.3 Å²	57.3	51%	0.508	30%	0.303	S	S	.	.			trans	-96.5	-19.8	176.2	-67.8	-19.6	0	0	0	113	K139	N102-K139 VanDerWaalsContact OD1-CD 3.27Å; N102-K139 WeakPolarHBondContact OD1-CD 3.33Å; N102-K139 WeakPolarHBondContact OD1-CE 3.45Å; N102-K139 VanDerWaalsContact OD1-CG 3.28Å; N102-K139 WeakPolarHBondContact OD1-CG 3.28Å
103	G	83.2	Confident	91	Very high	10 Å²	10	54.8 Å²	54.8	10%	0.103	29%	0.286	C	S	.	.	S	Bend	trans	93.9	-1.5	-174.8	0	0	0	0	0	115.9	G112	G103-G112 VanDerWaalsContact O-CA 3.26Å; G103-G112 WeakPolarHBondContact O-CA 3.46Å
104	N	87.4	Confident	91.9	Very high	145 Å²	145	53.8 Å²	53.8	78%	0.775	28%	0.282	S	S	*	.			trans	-96.8	9.7	-173.8	-58.6	12.7	0	0	0	113.2
105	D	85.5	Confident	92.3	Very high	75 Å²	75	53.6 Å²	53.6	40%	0.401	28%	0.281	S	S	.	.			trans	-75.6	127.7	179.6	-165.2	-37	0	0	0	109.6	S107 S108	D105-S107 PolarHBondContact O-N 3.42Å; D105-S107 WeakPolarHBondContact OD1-CB 3.33Å; D105-S107 PolarHBondContact OD1-N 2.77Å; D105-S107 PolarHBondContact OD1-OG 2.82Å; D105-S107 PolarHBondContact OD2-OG 3.03Å; D105-S108 PolarHBondContact O-N 2.93Å
106	K	84.6	Confident	92.5	Very high	196 Å²	196	53.3 Å²	53.3	85%	0.852	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-22.6	178.8	-66.8	-174.3	178.6	-177.2	0	112.6	S108 V109	K106-S108 VanDerWaalsContact C-N 3.31Å; K106-V109 WeakPolarHBondContact O-CG2 3.25Å
107	S	87.5	Confident	92.7	Very high	79 Å²	79	53.7 Å²	53.7	55%	0.552	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-6.8	176.2	64.4	0	0	0	0	113.8	D105	D105-S107 PolarHBondContact O-N 3.42Å; D105-S107 WeakPolarHBondContact OD1-CB 3.33Å; D105-S107 PolarHBondContact OD1-N 2.77Å; D105-S107 PolarHBondContact OD1-OG 2.82Å; D105-S107 PolarHBondContact OD2-OG 3.03Å
108	S	92.8	Very high	92.8	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.014	27%	0.269	C	S	.	.			trans	-131.8	53	-173.6	-60	0	0	0	0	111.8	E68 D105 K106 I111 G112	E68-S108 VanDerWaalsContact OE2-CA 3.23Å; E68-S108 WeakPolarHBondContact OE2-CA 3.37Å; D105-S108 PolarHBondContact O-N 2.93Å; K106-S108 VanDerWaalsContact C-N 3.31Å; S108-I111 PolarHBondContact O-N 3.11Å; S108-G112 PolarHBondContact O-N 3.17Å
109	V	95.7	Very high	92.8	Very high	96 Å²	96	52.4 Å²	52.4	58%	0.582	28%	0.28	S	S	*	.	H	α-helix	trans	-65.9	-39.5	-173.2	179.8	0	0	0	0	111.7	E68 K106 G112 F113	E68-V109 PolarHBondContact OE1-N 2.91Å; E68-V109 VanDerWaalsContact OE1-N 3.17Å; E68-V109 PolarHBondContact OE2-N 3.32Å; K106-V109 WeakPolarHBondContact O-CG2 3.25Å; V109-G112 PolarHBondContact O-N 2.88Å; V109-F113 PolarHBondContact O-N 2.73Å
110	N	97.3	Very high	92.8	Very high	54 Å²	54	52.7 Å²	52.7	29%	0.289	29%	0.286	S	S	.	.	H	α-helix	trans	-71.1	-37.8	179.7	-64.5	-85.5	0	0	0	111.3	A64 V65 E68 G112 F113 L114	A64-N110 HydrophobicContact CB-CB 4.03Å; A64-N110 VanDerWaalsContact CB-CG 3.48Å; A64-N110 WeakPolarHBondContact CB-OD1 3.42Å; V65-N110 HydrophobicContact CG2-CB 3.92Å; V65-N110 WeakPolarHBondContact CG2-O 3.13Å; E68-N110 WeakPolarHBondContact OE1-CB 3.43Å; E68-N110 PolarHBondContact OE1-N 3.09Å; E68-N110 PolarHBondContact OE1-ND2 2.87Å; E68-N110 WeakPolarHBondContact OE2-CA 3.48Å; E68-N110 WeakPolarHBondContact OE2-CB 3.44Å; E68-N110 PolarHBondContact OE2-N 2.82Å; N110-G112 VanDerWaalsContact C-N 3.32Å; N110-F113 WeakPolarHBondContact O-CB 3.23Å; N110-F113 PolarHBondContact O-N 2.86Å; N110-L114 PolarHBondContact O-N 2.65Å
111	I	97.5	Very high	92.9	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.3	-41.9	170.1	-63.5	163.7	0	0	0	109.9	V65 E68 A69 L72 M101 S108 F113 L114 L115 L142	V65-I111 HydrophobicContact CG1-CG1 3.87Å; E68-I111 HydrophobicContact CB-CD1 3.65Å; E68-I111 HydrophobicContact CB-CG1 4.04Å; E68-I111 WeakPolarHBondContact OE2-CG1 3.45Å; E68-I111 PolarHBondContact OE2-N 2.86Å; A69-I111 HydrophobicContact CB-CD1 4.44Å; L72-I111 HydrophobicContact CD1-CD1 3.71Å; M101-I111 HydrophobicContact CE-CB 4.06Å; M101-I111 HydrophobicContact CE-CD1 4.32Å; M101-I111 HydrophobicContact CE-CG2 3.41Å; M101-I111 VanDerWaalsContact CE-CG2 3.41Å; M101-I111 HydrophobicContact SD-CD1 4.4Å; M101-I111 HydrophobicContact SD-CG2 3.68Å; S108-I111 PolarHBondContact O-N 3.11Å; I111-F113 VanDerWaalsContact C-N 3.32Å; I111-F113 PolarHBondContact O-N 2.92Å; I111-L114 WeakPolarHBondContact O-CB 3.31Å; I111-L114 PolarHBondContact O-N 3.26Å; I111-L114 VanDerWaalsContact O-N 3.15Å; I111-L115 HydrophobicContact CG2-CG 4.24Å; I111-L115 WeakPolarHBondContact O-CG 3.43Å; I111-L115 PolarHBondContact O-N 3.07Å; I111-L142 HydrophobicContact CD1-CD1 4.17Å
112	G	96.6	Very high	93.1	Very high	19 Å²	19	48.7 Å²	48.7	20%	0.196	27%	0.27	C	S	.	.	H	α-helix	trans	-54.8	-47	173.5	0	0	0	0	0	112.4	G103 S108 V109 N110 L115 A116	G103-G112 VanDerWaalsContact O-CA 3.26Å; G103-G112 WeakPolarHBondContact O-CA 3.46Å; S108-G112 PolarHBondContact O-N 3.17Å; V109-G112 PolarHBondContact O-N 2.88Å; N110-G112 VanDerWaalsContact C-N 3.32Å; G112-L115 PolarHBondContact O-N 2.89Å; G112-A116 PolarHBondContact O-N 3.34Å
113	F	95.5	Very high	93.4	Very high	62 Å²	62	50.9 Å²	50.9	27%	0.272	28%	0.275	S	S	.	.	H	α-helix	trans	-58.6	-47.5	173.2	176.5	-87.3	0	0	0	112.2	V57 R61 V109 N110 I111 L115 A116 Q117	V57-F113 HydrophobicContact CB-CE1 4.28Å; V57-F113 HydrophobicContact CG1-CE1 4.13Å; R61-F113 VanDerWaalsContact CZ-CZ 3.45Å; V109-F113 PolarHBondContact O-N 2.73Å; N110-F113 WeakPolarHBondContact O-CB 3.23Å; N110-F113 PolarHBondContact O-N 2.86Å; I111-F113 VanDerWaalsContact C-N 3.32Å; I111-F113 PolarHBondContact O-N 2.92Å; F113-L115 VanDerWaalsContact C-N 3.31Å; F113-L115 PolarHBondContact O-N 2.87Å; F113-A116 WeakPolarHBondContact O-CB 3.4Å; F113-A116 PolarHBondContact O-N 2.77Å; F113-A116 VanDerWaalsContact O-N 3.15Å; F113-Q117 HydrophobicContact CD1-CG 4.05Å; F113-Q117 HydrophobicContact CE1-CG 3.46Å; F113-Q117 VanDerWaalsContact CE1-CG 3.46Å; F113-Q117 HydrophobicContact CE2-CG 4.39Å; F113-Q117 HydrophobicContact CZ-CG 3.66Å; F113-Q117 WeakPolarHBondContact O-CG 3.35Å; F113-Q117 PolarHBondContact O-N 3.48Å
114	L	97.1	Very high	93.9	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-55.6	-46.8	176.2	175.4	68.9	0	0	0	111.2	F56 V57 V65 N110 I111 A116 Q117 F118 Y169	F56-L114 HydrophobicContact CD1-CD1 3.99Å; F56-L114 HydrophobicContact CE1-CD1 4.01Å; V57-L114 HydrophobicContact CG1-CD1 3.7Å; V57-L114 HydrophobicContact CG2-CD1 4.41Å; V65-L114 HydrophobicContact CG1-CD2 3.79Å; V65-L114 HydrophobicContact CG2-CB 4.15Å; N110-L114 PolarHBondContact O-N 2.65Å; I111-L114 WeakPolarHBondContact O-CB 3.31Å; I111-L114 PolarHBondContact O-N 3.26Å; I111-L114 VanDerWaalsContact O-N 3.15Å; L114-A116 VanDerWaalsContact C-N 3.29Å; L114-A116 PolarHBondContact O-N 3.1Å; L114-Q117 WeakPolarHBondContact O-CB 3.27Å; L114-Q117 PolarHBondContact O-N 2.65Å; L114-Q117 VanDerWaalsContact O-N 3.16Å; L114-F118 HydrophobicContact CD1-CD2 4.06Å; L114-F118 HydrophobicContact CD1-CE2 3.73Å; L114-F118 HydrophobicContact CD2-CE2 4.21Å; L114-F118 HydrophobicContact CG-CD2 4.06Å; L114-F118 HydrophobicContact CG-CE2 3.78Å; L114-F118 VanDerWaalsContact O-CD2 3.27Å; L114-F118 WeakPolarHBondContact O-CD2 3.38Å; L114-F118 PolarHBondContact O-N 3.41Å; L114-Y169 HydrophobicContact CD1-CD1 3.96Å; L114-Y169 HydrophobicContact CD1-CD2 4.12Å; L114-Y169 HydrophobicContact CD1-CE1 3.93Å; L114-Y169 HydrophobicContact CD1-CE2 4.11Å; L114-Y169 HydrophobicContact CD1-CG 4.03Å; L114-Y169 HydrophobicContact CD2-CD1 3.45Å; L114-Y169 VanDerWaalsContact CD2-CD1 3.45Å; L114-Y169 HydrophobicContact CD2-CE1 3.75Å; L114-Y169 HydrophobicContact CD2-CG 4.12Å; L114-Y169 HydrophobicContact CG-CD1 4.35Å
115	L	96.6	Very high	94.3	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-67.3	-31.1	-179	-59.3	-163	0	0	0	112.4	I111 G112 F113 F118 D119 A140 L230	I111-L115 HydrophobicContact CG2-CG 4.24Å; I111-L115 WeakPolarHBondContact O-CG 3.43Å; I111-L115 PolarHBondContact O-N 3.07Å; G112-L115 PolarHBondContact O-N 2.89Å; F113-L115 VanDerWaalsContact C-N 3.31Å; F113-L115 PolarHBondContact O-N 2.87Å; L115-F118 WeakPolarHBondContact O-CB 3.46Å; L115-F118 PolarHBondContact O-N 2.93Å; L115-D119 VanDerWaalsContact O-CG 3.31Å; L115-D119 PolarHBondContact O-N 2.7Å; L115-D119 VanDerWaalsContact O-N 3.14Å; L115-A140 HydrophobicContact CD1-CB 3.58Å; L115-A140 HydrophobicContact CD2-CB 3.79Å; L115-A140 HydrophobicContact CG-CB 4.37Å; L115-L230 HydrophobicContact CD2-CD1 3.82Å
116	A	94.7	Very high	94.6	Very high	43 Å²	43	42 Å²	42	36%	0.355	23%	0.225	S	C	.	.	H	α-helix	trans	-66.8	-40.3	171.5	0	0	0	0	0	111.6	G112 F113 L114 F118 D119 N120	G112-A116 PolarHBondContact O-N 3.34Å; F113-A116 WeakPolarHBondContact O-CB 3.4Å; F113-A116 PolarHBondContact O-N 2.77Å; F113-A116 VanDerWaalsContact O-N 3.15Å; L114-A116 VanDerWaalsContact C-N 3.29Å; L114-A116 PolarHBondContact O-N 3.1Å; A116-F118 PolarHBondContact O-N 3.24Å; A116-D119 WeakPolarHBondContact O-CB 3.46Å; A116-D119 PolarHBondContact O-N 2.94Å; A116-N120 PolarHBondContact O-N 3.31Å
117	Q	95.3	Very high	94.9	Very high	10 Å²	10	39 Å²	39	5%	0.047	22%	0.218	C	C	.	.	H	α-helix	trans	-64.2	-38.5	174.5	-70.4	-68.1	-77.3	0	0	112.6	E34 F56 V57 F113 L114 D119 N120 V121	E34-Q117 PolarHBondContact OE1-NE2 3.43Å; F56-Q117 HydrophobicContact CE1-CB 4.04Å; F56-Q117 HydrophobicContact CZ-CB 4.2Å; V57-Q117 HydrophobicContact CG1-CB 4.18Å; V57-Q117 HydrophobicContact CG1-CG 4.12Å; F113-Q117 HydrophobicContact CD1-CG 4.05Å; F113-Q117 HydrophobicContact CE1-CG 3.46Å; F113-Q117 VanDerWaalsContact CE1-CG 3.46Å; F113-Q117 HydrophobicContact CE2-CG 4.39Å; F113-Q117 HydrophobicContact CZ-CG 3.66Å; F113-Q117 WeakPolarHBondContact O-CG 3.35Å; F113-Q117 PolarHBondContact O-N 3.48Å; L114-Q117 WeakPolarHBondContact O-CB 3.27Å; L114-Q117 PolarHBondContact O-N 2.65Å; L114-Q117 VanDerWaalsContact O-N 3.16Å; Q117-D119 VanDerWaalsContact C-N 3.29Å; Q117-D119 PolarHBondContact O-N 3.27Å; Q117-N120 PolarHBondContact O-N 2.88Å; Q117-V121 WeakPolarHBondContact O-CG2 3.48Å; Q117-V121 PolarHBondContact O-N 3.21Å; Q117-V121 VanDerWaalsContact O-N 3.14Å
118	F	96.3	Very high	95	Very high	1 Å²	1	41.2 Å²	41.2	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-55.4	-46.3	168.5	-89.8	-120.7	0	0	0	111.3	F56 L114 L115 A116 I122 C167 Y169 M203 L230 F232	F56-F118 AromaticContact CE1-CD2 3.78Å; F56-F118 HydrophobicContact CE1-CD2 3.78Å; F56-F118 HydrophobicContact CE1-CE2 4.07Å; F56-F118 HydrophobicContact CZ-CD2 4.29Å; L114-F118 HydrophobicContact CD1-CD2 4.06Å; L114-F118 HydrophobicContact CD1-CE2 3.73Å; L114-F118 HydrophobicContact CD2-CE2 4.21Å; L114-F118 HydrophobicContact CG-CD2 4.06Å; L114-F118 HydrophobicContact CG-CE2 3.78Å; L114-F118 VanDerWaalsContact O-CD2 3.27Å; L114-F118 WeakPolarHBondContact O-CD2 3.38Å; L114-F118 PolarHBondContact O-N 3.41Å; L115-F118 WeakPolarHBondContact O-CB 3.46Å; L115-F118 PolarHBondContact O-N 2.93Å; A116-F118 PolarHBondContact O-N 3.24Å; F118-I122 VanDerWaalsContact O-CB 3.32Å; F118-I122 WeakPolarHBondContact O-CB 3.49Å; F118-I122 VanDerWaalsContact O-CG1 3.26Å; F118-I122 WeakPolarHBondContact O-CG1 3.49Å; F118-I122 PolarHBondContact O-N 2.91Å; F118-C167 HydrophobicContact CD1-CB 3.76Å; F118-C167 HydrophobicContact CE1-CB 3.46Å; F118-C167 VanDerWaalsContact CE1-CB 3.46Å; F118-Y169 HydrophobicContact CE2-CG 4.26Å; F118-Y169 VanDerWaalsContact CZ-CB 3.46Å; F118-Y169 HydrophobicContact CZ-CG 4.47Å; F118-M203 HydrophobicContact CD1-CE 3.58Å; F118-M203 HydrophobicContact CD2-CE 3.43Å; F118-M203 VanDerWaalsContact CD2-CE 3.43Å; F118-M203 HydrophobicContact CE1-CE 3.41Å; F118-M203 VanDerWaalsContact CE1-CE 3.41Å; F118-M203 HydrophobicContact CE1-SD 3.96Å; F118-M203 HydrophobicContact CE2-CE 3.24Å; F118-M203 HydrophobicContact CE2-SD 4.14Å; F118-M203 HydrophobicContact CG-CE 3.63Å; F118-M203 HydrophobicContact CZ-CE 3.26Å; F118-M203 HydrophobicContact CZ-SD 3.7Å; F118-L230 HydrophobicContact CB-CD1 4Å; F118-L230 HydrophobicContact CD1-CB 3.91Å; F118-L230 HydrophobicContact CD1-CD1 3.25Å; F118-L230 HydrophobicContact CD1-CG 4.15Å; F118-L230 HydrophobicContact CE1-CB 3.91Å; F118-L230 HydrophobicContact CE1-CD1 3.69Å; F118-L230 HydrophobicContact CE1-CG 4.23Å; F118-L230 HydrophobicContact CG-CD1 3.75Å; F118-F232 HydrophobicContact CB-CZ 4.33Å; F118-F232 HydrophobicContact CD1-CE2 4.25Å; F118-F232 HydrophobicContact CD1-CZ 4.4Å
119	D	95.1	Very high	94.7	Very high	62 Å²	62	41.7 Å²	41.7	33%	0.332	22%	0.217	S	C	.	.	H	α-helix	trans	-66.1	-43.8	-177.2	-71.3	-20.6	0	0	0	112.2	L115 A116 Q117 I122 K123 K137	L115-D119 VanDerWaalsContact O-CG 3.31Å; L115-D119 PolarHBondContact O-N 2.7Å; L115-D119 VanDerWaalsContact O-N 3.14Å; A116-D119 WeakPolarHBondContact O-CB 3.46Å; A116-D119 PolarHBondContact O-N 2.94Å; Q117-D119 VanDerWaalsContact C-N 3.29Å; Q117-D119 PolarHBondContact O-N 3.27Å; D119-I122 PolarHBondContact O-N 2.83Å; D119-K123 WeakPolarHBondContact O-CB 3.44Å; D119-K123 PolarHBondContact O-N 2.79Å; D119-K137 WeakPolarHBondContact OD1-CD 3.49Å; D119-K137 VanDerWaalsContact OD1-CE 3.32Å; D119-K137 WeakPolarHBondContact OD1-CE 3.19Å; D119-K137 IonicContact OD1-NZ 2.72Å; D119-K137 PolarHBondContact OD1-NZ 2.89Å; D119-K137 IonicContact OD2-NZ 3.35Å; D119-K137 PolarHBondContact OD2-NZ 3.23Å
120	N	95.5	Very high	93.6	Very high	62 Å²	62	41.2 Å²	41.2	33%	0.332	22%	0.217	S	C	.	.	H	α-helix	trans	-63.3	-48.1	-180	-70	-10.7	0	0	0	111.7	E34 A116 Q117 I122 K123 K124	E34-N120 VanDerWaalsContact CD-CB 3.41Å; E34-N120 HydrophobicContact CG-CB 4.32Å; E34-N120 WeakPolarHBondContact OE1-CB 3.22Å; E34-N120 PolarHBondContact OE1-ND2 3.27Å; E34-N120 WeakPolarHBondContact OE2-CB 3.41Å; A116-N120 PolarHBondContact O-N 3.31Å; Q117-N120 PolarHBondContact O-N 2.88Å; N120-I122 PolarHBondContact O-N 3.27Å; N120-K123 WeakPolarHBondContact O-CB 3.44Å; N120-K123 PolarHBondContact O-N 3.17Å; N120-K124 WeakPolarHBondContact O-CG 3.15Å; N120-K124 PolarHBondContact O-N 2.8Å
121	V	96.8	Very high	92.3	Very high	1 Å²	1	45 Å²	45	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-63.5	-43.6	177.3	170.6	0	0	0	0	111	E34 I37 F56 Q117 K123 K124 I125 F205	E34-V121 HydrophobicContact CB-CG2 3.99Å; E34-V121 HydrophobicContact CG-CG2 3.99Å; I37-V121 HydrophobicContact CB-CG1 4.38Å; I37-V121 HydrophobicContact CB-CG2 4.42Å; I37-V121 HydrophobicContact CG2-CG1 3.62Å; I37-V121 HydrophobicContact CG2-CG2 4.26Å; F56-V121 HydrophobicContact CE2-CG2 3.97Å; F56-V121 HydrophobicContact CZ-CG2 4.22Å; Q117-V121 WeakPolarHBondContact O-CG2 3.48Å; Q117-V121 PolarHBondContact O-N 3.21Å; Q117-V121 VanDerWaalsContact O-N 3.14Å; V121-K123 PolarHBondContact O-N 2.88Å; V121-K124 WeakPolarHBondContact O-CB 3.38Å; V121-K124 PolarHBondContact O-N 3.14Å; V121-I125 HydrophobicContact CG1-CD1 3.89Å; V121-I125 HydrophobicContact CG1-CG1 4.46Å; V121-I125 WeakPolarHBondContact O-CG1 3.41Å; V121-I125 PolarHBondContact O-N 2.82Å; V121-F205 HydrophobicContact CG1-CE1 4.19Å; V121-F205 HydrophobicContact CG1-CZ 4.08Å
122	I	95.7	Very high	90.9	Very high	4 Å²	4	46 Å²	46	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-70.5	-32.9	-179.9	-69.5	-78.2	0	0	0	112.1	F118 D119 N120 I125 S126 I134 I165 F205 F232	F118-I122 VanDerWaalsContact O-CB 3.32Å; F118-I122 WeakPolarHBondContact O-CB 3.49Å; F118-I122 VanDerWaalsContact O-CG1 3.26Å; F118-I122 WeakPolarHBondContact O-CG1 3.49Å; F118-I122 PolarHBondContact O-N 2.91Å; D119-I122 PolarHBondContact O-N 2.83Å; N120-I122 PolarHBondContact O-N 3.27Å; I122-I125 HydrophobicContact CD1-CD1 3.97Å; I122-I125 PolarHBondContact O-N 3.43Å; I122-S126 VanDerWaalsContact O-CB 3.28Å; I122-S126 WeakPolarHBondContact O-CB 3.31Å; I122-S126 PolarHBondContact O-N 2.94Å; I122-I134 HydrophobicContact CG2-CD1 3.67Å; I122-I134 HydrophobicContact CG2-CG2 4.09Å; I122-I165 HydrophobicContact CD1-CD1 4.37Å; I122-I165 HydrophobicContact CD1-CG2 4.2Å; I122-F205 HydrophobicContact CD1-CD1 4.29Å; I122-F205 HydrophobicContact CD1-CE1 4.29Å; I122-F232 HydrophobicContact CB-CD1 4.1Å; I122-F232 HydrophobicContact CB-CE1 3.81Å; I122-F232 HydrophobicContact CB-CE2 4.42Å; I122-F232 HydrophobicContact CB-CG 4.45Å; I122-F232 HydrophobicContact CB-CZ 4Å; I122-F232 HydrophobicContact CD1-CD2 3.99Å; I122-F232 HydrophobicContact CD1-CE2 4.12Å; I122-F232 HydrophobicContact CD1-CG 4.36Å; I122-F232 HydrophobicContact CG1-CD1 4.31Å; I122-F232 HydrophobicContact CG1-CD2 3.95Å; I122-F232 HydrophobicContact CG1-CE1 3.97Å; I122-F232 HydrophobicContact CG1-CE2 3.65Å; I122-F232 HydrophobicContact CG1-CG 4.27Å; I122-F232 HydrophobicContact CG1-CZ 3.64Å; I122-F232 HydrophobicContact CG2-CB 4.22Å; I122-F232 HydrophobicContact CG2-CD1 3.41Å; I122-F232 VanDerWaalsContact CG2-CD1 3.41Å; I122-F232 HydrophobicContact CG2-CD2 4.28Å; I122-F232 HydrophobicContact CG2-CE1 3.65Å; I122-F232 HydrophobicContact CG2-CG 3.72Å; I122-F232 HydrophobicContact CG2-CZ 4.23Å
123	K	94.3	Very high	90	Very high	142 Å²	142	53.3 Å²	53.3	62%	0.617	27%	0.269	S	S	*	.	H	α-helix	trans	-59.8	-48.2	170.3	-178.7	-177.5	177.5	-173.4	0	110.3	D119 N120 V121 I125 S126 L127	D119-K123 WeakPolarHBondContact O-CB 3.44Å; D119-K123 PolarHBondContact O-N 2.79Å; N120-K123 WeakPolarHBondContact O-CB 3.44Å; N120-K123 PolarHBondContact O-N 3.17Å; V121-K123 PolarHBondContact O-N 2.88Å; K123-I125 VanDerWaalsContact C-N 3.33Å; K123-I125 PolarHBondContact O-N 2.92Å; K123-S126 PolarHBondContact O-N 3.39Å; K123-L127 HydrophobicContact CG-CD1 4.34Å; K123-L127 WeakPolarHBondContact O-CG 3.48Å; K123-L127 PolarHBondContact O-N 3.35Å
124	K	94.5	Very high	89.6	Confident	28 Å²	28	51.5 Å²	51.5	12%	0.122	26%	0.262	C	S	.	.	H	α-helix	trans	-61.5	-37.6	176	-78.3	169.5	-175.7	-117.5	0	112.7	S31 E34 D35 A38 N120 V121 R128	S31-K124 PolarHBondContact O-NZ 2.84Å; S31-K124 PolarHBondContact OG-NZ 3.24Å; E34-K124 HydrophobicContact CB-CD 3.59Å; E34-K124 VanDerWaalsContact OE2-CE 3.23Å; E34-K124 WeakPolarHBondContact OE2-CE 3.44Å; E34-K124 IonicContact OE2-NZ 2.72Å; D35-K124 VanDerWaalsContact OD1-CD 3.25Å; D35-K124 WeakPolarHBondContact OD1-CD 3.36Å; D35-K124 IonicContact OD1-NZ 3.89Å; D35-K124 PolarHBondContact OD1-NZ 2.81Å; D35-K124 IonicContact OD2-NZ 3.55Å; D35-K124 PolarHBondContact OD2-NZ 3.22Å; A38-K124 HydrophobicContact CB-CB 3.63Å; N120-K124 WeakPolarHBondContact O-CG 3.15Å; N120-K124 PolarHBondContact O-N 2.8Å; V121-K124 WeakPolarHBondContact O-CB 3.38Å; V121-K124 PolarHBondContact O-N 3.14Å; K124-R128 VanDerWaalsContact CB-NH1 3.35Å; K124-R128 WeakPolarHBondContact O-CG 3.46Å; K124-R128 PolarHBondContact O-NH1 2.86Å
125	I	94.7	Very high	89	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64.6	-52.5	171.8	-69.2	167.6	0	0	0	110.2	A38 A41 I42 V121 I122 K123 L127 R128 L129 I165 F205	A38-I125 HydrophobicContact CB-CG1 3.8Å; A41-I125 HydrophobicContact CB-CD1 3.75Å; A41-I125 HydrophobicContact CB-CG1 4.41Å; I42-I125 HydrophobicContact CG1-CB 4.38Å; I42-I125 HydrophobicContact CG1-CG1 4.21Å; I42-I125 HydrophobicContact CG1-CG2 4.01Å; V121-I125 HydrophobicContact CG1-CD1 3.89Å; V121-I125 HydrophobicContact CG1-CG1 4.46Å; V121-I125 WeakPolarHBondContact O-CG1 3.41Å; V121-I125 PolarHBondContact O-N 2.82Å; I122-I125 HydrophobicContact CD1-CD1 3.97Å; I122-I125 PolarHBondContact O-N 3.43Å; K123-I125 VanDerWaalsContact C-N 3.33Å; K123-I125 PolarHBondContact O-N 2.92Å; I125-L127 VanDerWaalsContact C-N 3.25Å; I125-L127 PolarHBondContact O-N 3.44Å; I125-R128 PolarHBondContact O-N 2.66Å; I125-L129 HydrophobicContact CG2-CD1 4.07Å; I125-L129 HydrophobicContact CG2-CD2 4.4Å; I125-L129 HydrophobicContact CG2-CG 4.09Å; I125-L129 WeakPolarHBondContact O-CG 3.07Å; I125-L129 PolarHBondContact O-N 3.48Å; I125-L129 VanDerWaalsContact O-N 3.11Å; I125-I165 HydrophobicContact CG2-CD1 3.82Å; I125-F205 HydrophobicContact CD1-CD1 4.36Å; I125-F205 HydrophobicContact CD1-CE1 4.26Å
126	S	92.4	Very high	88.6	Confident	15 Å²	15	62.2 Å²	62.2	11%	0.105	31%	0.311	C	S	.	.	H	α-helix	trans	-60.7	-32.1	-175.4	-174.7	0	0	0	0	113.5	I122 K123 R128 I134	I122-S126 VanDerWaalsContact O-CB 3.28Å; I122-S126 WeakPolarHBondContact O-CB 3.31Å; I122-S126 PolarHBondContact O-N 2.94Å; K123-S126 PolarHBondContact O-N 3.39Å; S126-R128 PolarHBondContact O-N 3Å; S126-I134 PolarHBondContact OG-N 3.18Å
127	L	91.4	Very high	88.4	Confident	134 Å²	134	63.2 Å²	63.2	70%	0.702	31%	0.308	S	S	*	.	H	α-helix	trans	-70.6	-22.9	177.4	-72.9	170.7	0	0	0	112.8	K123 I125	K123-L127 HydrophobicContact CG-CD1 4.34Å; K123-L127 WeakPolarHBondContact O-CG 3.48Å; K123-L127 PolarHBondContact O-N 3.35Å; I125-L127 VanDerWaalsContact C-N 3.25Å; I125-L127 PolarHBondContact O-N 3.44Å
128	R	90.4	Very high	88.2	Confident	124 Å²	124	63.1 Å²	63.1	47%	0.468	31%	0.308	S	S	.	.	H	α-helix	trans	-106.8	-4.7	-174.8	-65.9	175	175.7	100	-8.8	113.4	D35 I42 K124 I125 S126	D35-R128 IonicContact OD1-CZ 3.3Å; D35-R128 VanDerWaalsContact OD1-CZ 3.3Å; D35-R128 IonicContact OD1-NH1 3.04Å; D35-R128 PolarHBondContact OD1-NH1 3.04Å; D35-R128 IonicContact OD1-NH2 3.16Å; D35-R128 PolarHBondContact OD1-NH2 3.16Å; I42-R128 HydrophobicContact CD1-CB 3.48Å; I42-R128 VanDerWaalsContact CD1-CB 3.48Å; I42-R128 HydrophobicContact CD1-CG 4.26Å; K124-R128 VanDerWaalsContact CB-NH1 3.35Å; K124-R128 WeakPolarHBondContact O-CG 3.46Å; K124-R128 PolarHBondContact O-NH1 2.86Å; I125-R128 PolarHBondContact O-N 2.66Å; S126-R128 PolarHBondContact O-N 3Å
129	L	85.3	Confident	88	Confident	13 Å²	13	68.2 Å²	68.2	7%	0.068	33%	0.33	C	S	.	.			trans	-75.2	127.7	171.1	-69.4	178.2	0	0	0	110	Y46 I125 D131 N132 I134 L164 I165 W207	Y46-L129 HydrophobicContact CE2-CD2 3.66Å; I125-L129 HydrophobicContact CG2-CD1 4.07Å; I125-L129 HydrophobicContact CG2-CD2 4.4Å; I125-L129 HydrophobicContact CG2-CG 4.09Å; I125-L129 WeakPolarHBondContact O-CG 3.07Å; I125-L129 PolarHBondContact O-N 3.48Å; I125-L129 VanDerWaalsContact O-N 3.11Å; L129-D131 PolarHBondContact O-N 3.31Å; L129-N132 HydrophobicContact CB-CB 4.15Å; L129-N132 HydrophobicContact CD1-CB 4.07Å; L129-I134 HydrophobicContact CD1-CD1 4.48Å; L129-L164 HydrophobicContact CD1-CD2 4.04Å; L129-I165 HydrophobicContact CD1-CD1 4.39Å; L129-W207 HydrophobicContact CD2-CH2 4.18Å
130	S	73.3	Confident	88	Confident	86 Å²	86	65.3 Å²	65.3	60%	0.601	32%	0.315	S	S	*	.	S	Bend	trans	-57.5	-45.9	-177.1	49.7	0	0	0	0	113.8	Y46	Y46-S130 PolarHBondContact OH-OG 2.87Å; Y46-S130 VanDerWaalsContact OH-OG 3.14Å
131	D	70.3	Confident	88	Confident	132 Å²	132	62.4 Å²	62.4	71%	0.706	30%	0.299	S	S	*	.	S	Bend	trans	-116	0.2	-165.5	-54.4	-60.6	0	0	0	113.5	L129	L129-D131 PolarHBondContact O-N 3.31Å
132	N	67.1	Low	87.9	Confident	22 Å²	22	62.4 Å²	62.4	12%	0.118	30%	0.299	C	S	.	.			trans	-140	100.8	-157.2	-60	-49.5	0	0	0	113	L129 L164 R234	L129-N132 HydrophobicContact CB-CB 4.15Å; L129-N132 HydrophobicContact CD1-CB 4.07Å; N132-L164 HydrophobicContact CB-CD2 3.72Å; N132-R234 VanDerWaalsContact CG-CZ 3.43Å; N132-R234 PolarHBondContact ND2-NH2 3.49Å; N132-R234 VanDerWaalsContact ND2-NH2 3.11Å; N132-R234 PolarHBondContact OD1-NE 3.48Å; N132-R234 PolarHBondContact OD1-NH2 2.83Å
133	K	77.7	Confident	87.9	Confident	172 Å²	172	62.2 Å²	62.2	75%	0.748	30%	0.298	S	S	*	.			trans	-86.9	113.4	167.5	-66.6	-173.1	178.8	-179.2	0	110.4	V135 R234	K133-V135 HydrophobicContact CB-CG1 4.42Å; K133-R234 WeakPolarHBondContact O-CA 3.46Å
134	I	86.5	Confident	88	Confident	24 Å²	24	55.6 Å²	55.6	12%	0.123	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	126.5	166.2	-63.3	171.6	0	0	0	107	I122 S126 L129 L164 I165 F232	I122-I134 HydrophobicContact CG2-CD1 3.67Å; I122-I134 HydrophobicContact CG2-CG2 4.09Å; S126-I134 PolarHBondContact OG-N 3.18Å; L129-I134 HydrophobicContact CD1-CD1 4.48Å; I134-L164 HydrophobicContact CD1-CD2 4.38Å; I134-L164 HydrophobicContact CG1-CD2 4.01Å; I134-I165 HydrophobicContact CD1-CD1 3.8Å; I134-I165 HydrophobicContact CD1-CG1 4.2Å; I134-F232 HydrophobicContact CD1-CB 4.21Å; I134-F232 HydrophobicContact CG2-CB 3.74Å; I134-F232 HydrophobicContact CG2-CD1 4.09Å; I134-F232 HydrophobicContact CG2-CG 4.39Å
135	V	85.9	Confident	88	Confident	83 Å²	83	54.3 Å²	54.3	50%	0.503	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	-9.2	-176.4	-66.8	0	0	0	0	112.8	K133 A233 R234	K133-V135 HydrophobicContact CB-CG1 4.42Å; V135-A233 PolarHBondContact N-O 3.42Å; V135-R234 VanDerWaalsContact CG2-C 3.42Å
136	R	87.2	Confident	87.8	Confident	148 Å²	148	55.6 Å²	55.6	56%	0.558	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138	148.9	-177	-67.9	175.8	78.7	81.3	-0.3	110.2	F232 A233	R136-F232 CarbonylContact O-C 3.5Å; R136-F232 WeakPolarHBondContact O-CA 3.48Å; R136-A233 HydrophobicContact CB-CB 4.25Å; R136-A233 PolarHBondContact N-O 3.28Å; R136-A233 VanDerWaalsContact N-O 3.11Å; R136-A233 PolarHBondContact O-N 3.44Å
137	K	91.3	Very high	87.8	Confident	64 Å²	64	59.5 Å²	59.5	28%	0.278	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	146.9	173.5	-171.6	179.4	82	178.5	0	109.3	D119 L230 N231 F232	D119-K137 WeakPolarHBondContact OD1-CD 3.49Å; D119-K137 VanDerWaalsContact OD1-CE 3.32Å; D119-K137 WeakPolarHBondContact OD1-CE 3.19Å; D119-K137 IonicContact OD1-NZ 2.72Å; D119-K137 PolarHBondContact OD1-NZ 2.89Å; D119-K137 IonicContact OD2-NZ 3.35Å; D119-K137 PolarHBondContact OD2-NZ 3.23Å; K137-L230 HydrophobicContact CD-CD1 4.2Å; K137-L230 HydrophobicContact CD-CD2 3.78Å; K137-L230 HydrophobicContact CG-CD2 3.74Å; K137-N231 CarbonylContact C-O 3.56Å; K137-N231 WeakPolarHBondContact CA-O 3.17Å; K137-F232 HydrophobicContact CB-CD1 3.93Å; K137-F232 HydrophobicContact CB-CE1 3.94Å; K137-F232 HydrophobicContact CD-CD1 4.1Å; K137-F232 HydrophobicContact CD-CE1 3.26Å; K137-F232 HydrophobicContact CD-CE2 4.49Å; K137-F232 HydrophobicContact CD-CZ 3.49Å; K137-F232 VanDerWaalsContact CD-CZ 3.49Å; K137-F232 HydrophobicContact CG-CD1 3.74Å; K137-F232 HydrophobicContact CG-CE1 3.43Å; K137-F232 VanDerWaalsContact CG-CE1 3.43Å; K137-F232 HydrophobicContact CG-CE2 4.48Å; K137-F232 HydrophobicContact CG-CG 4.45Å; K137-F232 HydrophobicContact CG-CZ 3.83Å
138	S	90.5	Very high	87.8	Confident	8 Å²	8	57.4 Å²	57.4	6%	0.056	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-71.4	170.6	169.2	71	0	0	0	0	111.6	L230 N231	S138-L230 WeakPolarHBondContact O-CD2 3.3Å; S138-N231 PolarHBondContact N-O 3.1Å; S138-N231 PolarHBondContact OG-N 2.9Å
139	K	92.3	Very high	87.9	Confident	109 Å²	109	51.6 Å²	51.6	47%	0.474	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-62	149.2	155.9	-63.3	-163.2	176.5	-174.2	0	109	W100 N102	W100-K139 HydrophobicContact CB-CD 4.48Å; W100-K139 HydrophobicContact CE3-CB 3.93Å; N102-K139 VanDerWaalsContact OD1-CD 3.27Å; N102-K139 WeakPolarHBondContact OD1-CD 3.33Å; N102-K139 WeakPolarHBondContact OD1-CE 3.45Å; N102-K139 VanDerWaalsContact OD1-CG 3.28Å; N102-K139 WeakPolarHBondContact OD1-CG 3.28Å
140	A	94.6	Very high	88.2	Confident	1 Å²	1	55 Å²	55	1%	0.008	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	134.5	170.5	0	0	0	0	0	109	W100 M101 L115 L230	W100-A140 WeakPolarHBondContact CA-O 3.17Å; M101-A140 HydrophobicContact CG-CB 4.07Å; M101-A140 PolarHBondContact N-O 2.71Å; M101-A140 PolarHBondContact O-N 2.54Å; L115-A140 HydrophobicContact CD1-CB 3.58Å; L115-A140 HydrophobicContact CD2-CB 3.79Å; L115-A140 HydrophobicContact CG-CB 4.37Å; A140-L230 HydrophobicContact CB-CD1 4.41Å; A140-L230 HydrophobicContact CB-CD2 3.95Å; A140-L230 HydrophobicContact CB-CG 4.04Å
141	M	95.2	Very high	89.2	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	107.4	172.5	-172.1	-178.7	64.9	0	0	108	R94 I98 W100 S143 C228 H229	R94-M141 PolarHBondContact NH2-SD 3.35Å; I98-M141 HydrophobicContact CB-CG 4.12Å; I98-M141 HydrophobicContact CB-SD 4.33Å; I98-M141 HydrophobicContact CD1-SD 4.5Å; I98-M141 HydrophobicContact CG2-CG 4.19Å; I98-M141 HydrophobicContact CG2-SD 3.9Å; W100-M141 HydrophobicContact CD2-CB 4.36Å; W100-M141 HydrophobicContact CD2-CG 4.37Å; W100-M141 HydrophobicContact CE3-CB 3.85Å; W100-M141 HydrophobicContact CE3-CG 4.34Å; W100-M141 HydrophobicContact CH2-CB 3.74Å; W100-M141 HydrophobicContact CH2-CG 3.89Å; W100-M141 HydrophobicContact CH2-SD 3.68Å; W100-M141 HydrophobicContact CZ2-CB 4.27Å; W100-M141 HydrophobicContact CZ2-CG 3.94Å; W100-M141 HydrophobicContact CZ2-SD 3.62Å; W100-M141 HydrophobicContact CZ3-CB 3.56Å; W100-M141 HydrophobicContact CZ3-CG 4.14Å; W100-M141 HydrophobicContact CZ3-SD 4.48Å; M141-S143 WeakPolarHBondContact CE-OG 3.37Å; M141-C228 CarbonylContact O-C 3.56Å; M141-C228 WeakPolarHBondContact O-CA 3.28Å; M141-H229 HydrophobicContact CB-CB 4.29Å; M141-H229 HydrophobicContact CE-CB 3.88Å; M141-H229 WeakPolarHBondContact CE-ND1 3.46Å; M141-H229 PolarHBondContact N-O 3.41Å; M141-H229 PolarHBondContact O-N 3.34Å
142	L	96.2	Very high	90.3	Very high	1 Å²	1	47 Å²	47	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	131.4	163	-63.5	-174.8	0	0	0	108.3	A69 L72 F78 I98 Y99 M101 I111 M171 V227 C228	A69-L142 HydrophobicContact CB-CD1 4.38Å; L72-L142 HydrophobicContact CD1-CD1 3.77Å; F78-L142 HydrophobicContact CE1-CB 3.91Å; F78-L142 HydrophobicContact CZ-CB 3.64Å; F78-L142 HydrophobicContact CZ-CD1 4.16Å; I98-L142 CarbonylContact C-O 3.55Å; I98-L142 VanDerWaalsContact CA-O 3.25Å; I98-L142 WeakPolarHBondContact CA-O 3.49Å; Y99-L142 HydrophobicContact CD1-CD1 4.4Å; Y99-L142 PolarHBondContact N-O 2.89Å; Y99-L142 PolarHBondContact O-N 2.91Å; M101-L142 HydrophobicContact SD-CD1 3.55Å; M101-L142 VanDerWaalsContact SD-CD1 3.55Å; M101-L142 HydrophobicContact SD-CD2 4.49Å; M101-L142 HydrophobicContact SD-CG 3.83Å; I111-L142 HydrophobicContact CD1-CD1 4.17Å; L142-M171 HydrophobicContact CD2-CE 4.37Å; L142-V227 CarbonylContact C-O 3.5Å; L142-V227 WeakPolarHBondContact CA-O 3.42Å; L142-C228 HydrophobicContact CD2-CB 3.68Å
143	S	95.8	Very high	91.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	137.6	178.7	-84	0	0	0	0	110.3	D96 F97 I98 M141 V226 V227	D96-S143 VanDerWaalsContact OD2-CB 3.3Å; D96-S143 WeakPolarHBondContact OD2-CB 3.4Å; D96-S143 PolarHBondContact OD2-OG 3.41Å; F97-S143 CarbonylContact O-C 3.53Å; F97-S143 VanDerWaalsContact O-CA 3.26Å; F97-S143 WeakPolarHBondContact O-CA 3.36Å; I98-S143 WeakPolarHBondContact CG2-OG 3.41Å; M141-S143 WeakPolarHBondContact CE-OG 3.37Å; S143-V226 WeakPolarHBondContact O-CA 3.28Å; S143-V227 PolarHBondContact N-O 3.15Å; S143-V227 PolarHBondContact O-N 2.84Å
144	C	95.2	Very high	92.3	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.014	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	116.4	174.8	-76.9	0	0	0	0	109.7	Y73 F78 D96 F97 P146 N225	Y73-C144 HydrophobicContact CD2-CB 3.89Å; Y73-C144 HydrophobicContact CE2-CB 3.87Å; F78-C144 HydrophobicContact CD1-CB 4.34Å; F78-C144 HydrophobicContact CE1-CB 4.24Å; D96-C144 WeakPolarHBondContact CA-O 3.42Å; F97-C144 HydrophobicContact CB-CB 4.39Å; F97-C144 PolarHBondContact N-O 2.99Å; F97-C144 PolarHBondContact O-N 3.17Å; C144-P146 VanDerWaalsContact O-CD 3.24Å; C144-P146 WeakPolarHBondContact O-CD 3.49Å; C144-N225 CarbonylContact C-O 3.46Å; C144-N225 WeakPolarHBondContact CA-O 3.33Å
145	Y	94.3	Very high	92.5	Very high	1 Å²	1	42.7 Å²	42.7	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	104.2	176.6	-67.1	-105.8	0	0	0	109.1	D96 A149 V216 R224 N225 V227	D96-Y145 HydrophobicContact CB-CD1 3.74Å; D96-Y145 HydrophobicContact CB-CD2 3.91Å; D96-Y145 HydrophobicContact CB-CE1 3.64Å; D96-Y145 HydrophobicContact CB-CE2 3.8Å; D96-Y145 HydrophobicContact CB-CG 3.86Å; Y145-A149 HydrophobicContact CD1-CB 4Å; Y145-A149 HydrophobicContact CG-CB 4.42Å; Y145-V216 HydrophobicContact CD1-CG1 4.1Å; Y145-V216 HydrophobicContact CE1-CB 4.01Å; Y145-V216 HydrophobicContact CE1-CG1 3.81Å; Y145-V216 HydrophobicContact CE1-CG2 4.39Å; Y145-R224 VanDerWaalsContact O-CA 3.31Å; Y145-R224 WeakPolarHBondContact O-CA 3.49Å; Y145-N225 PolarHBondContact N-O 2Å; Y145-N225 PolarHBondContact O-N 3.02Å; Y145-V227 HydrophobicContact CD2-CG1 4.42Å; Y145-V227 HydrophobicContact CE2-CG1 3.93Å
146	P	91.9	Very high	92.8	Very high	27 Å²	27	39 Å²	39	18%	0.175	19%	0.186	C	C	.	.			trans	-68.5	175.8	168.6	32.8	-39	0	0	0	111.6	F97 C144 S148 A149 R224	F97-P146 HydrophobicContact CD2-CG 4.26Å; F97-P146 HydrophobicContact CE2-CG 3.98Å; C144-P146 VanDerWaalsContact O-CD 3.24Å; C144-P146 WeakPolarHBondContact O-CD 3.49Å; P146-S148 PolarHBondContact O-N 3.01Å; P146-A149 VanDerWaalsContact CD-CB 3.48Å; P146-A149 HydrophobicContact CG-CB 3.85Å; P146-A149 WeakPolarHBondContact O-CB 3.32Å; P146-A149 PolarHBondContact O-N 3.48Å; P146-R224 HydrophobicContact CB-CG 4.48Å
147	I	92.1	Very high	92.9	Very high	98 Å²	98	32.5 Å²	32.5	50%	0.503	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	142.5	171.4	-163.9	167.3	0	0	0	110.8	A149 T219	I147-A149 PolarHBondContact O-N 2.97Å; I147-A149 VanDerWaalsContact O-N 3.12Å; I147-T219 CarbonylContact C-O 3.6Å; I147-T219 WeakPolarHBondContact CA-O 3.45Å
148	S	90.2	Very high	92.5	Very high	89 Å²	89	31 Å²	31	62%	0.622	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	65	-9.4	-170.7	78.1	0	0	0	0	116.7	P146 T219	P146-S148 PolarHBondContact O-N 3.01Å; S148-T219 PolarHBondContact N-O 3.26Å
149	A	92.5	Very high	92.1	Very high	2 Å²	2	33.9 Å²	33.9	2%	0.017	17%	0.174	C	C	.	.			trans	-68.9	142.4	-179.5	0	0	0	0	0	112	S95 Y145 P146 I147 A218 T219	S95-A149 VanDerWaalsContact O-CB 3.27Å; S95-A149 WeakPolarHBondContact O-CB 3.03Å; S95-A149 VanDerWaalsContact OG-CA 3.27Å; S95-A149 WeakPolarHBondContact OG-CA 3.44Å; Y145-A149 HydrophobicContact CD1-CB 4Å; Y145-A149 HydrophobicContact CG-CB 4.42Å; P146-A149 VanDerWaalsContact CD-CB 3.48Å; P146-A149 HydrophobicContact CG-CB 3.85Å; P146-A149 WeakPolarHBondContact O-CB 3.32Å; P146-A149 PolarHBondContact O-N 3.48Å; I147-A149 PolarHBondContact O-N 2.97Å; I147-A149 VanDerWaalsContact O-N 3.12Å; A149-A218 WeakPolarHBondContact O-CA 3.21Å; A149-T219 PolarHBondContact O-N 3.44Å
150	R	92.3	Very high	91.5	Very high	84 Å²	84	30.4 Å²	30.4	32%	0.317	17%	0.168	S	C	.	.			trans	-150.4	169.6	-177.2	57.8	170.1	-173.2	66.6	-1.4	110.9	N92 R94 S95 V216 A218	N92-R150 PolarHBondContact O-NH1 2.92Å; N92-R150 PolarHBondContact O-NH2 3.36Å; R94-R150 WeakPolarHBondContact CA-O 3.21Å; S95-R150 PolarHBondContact N-O 2.71Å; S95-R150 PolarHBondContact OG-N 3.44Å; S95-R150 PolarHBondContact OG-O 3.49Å; R150-V216 WeakPolarHBondContact CA-O 3.36Å; R150-V216 WeakPolarHBondContact CB-O 3.33Å; R150-A218 HydrophobicContact CB-CB 4.36Å
151	Y	93.5	Very high	90.9	Very high	8 Å²	8	32 Å²	32	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	118.6	169	-159.4	143.8	0	0	0	107.7	F93 R94 H154 E215 V216 Q246	F93-Y151 HydrophobicContact CD1-CD2 4.4Å; F93-Y151 AromaticContact CD1-CE2 3.75Å; F93-Y151 HydrophobicContact CD1-CE2 3.75Å; F93-Y151 HydrophobicContact CE1-CD2 4.21Å; F93-Y151 AromaticContact CE1-CE2 3.27Å; F93-Y151 HydrophobicContact CE1-CE2 3.27Å; F93-Y151 AromaticContact CE1-CZ 3.9Å; F93-Y151 HydrophobicContact CZ-CE2 4.09Å; R94-Y151 HydrophobicContact CB-CD1 4.03Å; R94-Y151 HydrophobicContact CB-CD2 4.13Å; R94-Y151 HydrophobicContact CB-CE1 4.2Å; R94-Y151 HydrophobicContact CB-CE2 4.34Å; R94-Y151 HydrophobicContact CB-CG 3.97Å; R94-Y151 VanDerWaalsContact CZ-CE1 3.48Å; Y151-H154 AromaticContact CD2-CE1 3.58Å; Y151-H154 AromaticContact CD2-ND1 3.42Å; Y151-H154 WeakPolarHBondContact CD2-ND1 3.47Å; Y151-H154 AromaticContact CE1-CE1 3.81Å; Y151-H154 HydrophobicContact CE2-CB 4.41Å; Y151-H154 AromaticContact CE2-CE1 3.26Å; Y151-H154 WeakPolarHBondContact CE2-CE1 3.12Å; Y151-H154 AromaticContact CE2-CG 3.69Å; Y151-H154 AromaticContact CE2-ND1 3.15Å; Y151-H154 WeakPolarHBondContact CE2-ND1 3.19Å; Y151-H154 AromaticContact CE2-NE2 3.81Å; Y151-H154 AromaticContact CG-CE1 3.99Å; Y151-H154 AromaticContact CZ-CE1 3.44Å; Y151-H154 VanDerWaalsContact CZ-CE1 3.44Å; Y151-H154 AromaticContact CZ-ND1 3.81Å; Y151-H154 AromaticContact CZ-NE2 3.64Å; Y151-E215 WeakPolarHBondContact O-CA 3.39Å; Y151-E215 VanDerWaalsContact O-CB 3.3Å; Y151-E215 WeakPolarHBondContact O-CB 3.19Å; Y151-V216 PolarHBondContact N-O 3.46Å; Y151-V216 PolarHBondContact O-N 3.46Å; Y151-Q246 PolarHBondContact OH-NE2 3.25Å; Y151-Q246 PolarHBondContact OH-OE1 3.42Å
152	V	93.3	Very high	90.4	Very high	42 Å²	42	32.9 Å²	32.9	26%	0.255	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	159	176	-57.6	0	0	0	0	112.7	N92 F93 H154	N92-V152 WeakPolarHBondContact O-CG1 3.23Å; F93-V152 HydrophobicContact CB-CG2 4.39Å; F93-V152 HydrophobicContact CD1-CG2 4.04Å; F93-V152 HydrophobicContact CD2-CG2 3.29Å; F93-V152 HydrophobicContact CE1-CG2 4.16Å; F93-V152 HydrophobicContact CE2-CG2 3.36Å; F93-V152 HydrophobicContact CG-CG2 3.65Å; F93-V152 HydrophobicContact CZ-CG2 3.84Å; F93-V152 WeakPolarHBondContact O-CG2 3.05Å; F93-V152 PolarHBondContact O-N 2.87Å; V152-H154 PolarHBondContact O-N 3.41Å; V152-H154 PolarHBondContact O-ND1 3.16Å; V152-H154 VanDerWaalsContact O-ND1 3.11Å
153	R	94.3	Very high	90.2	Very high	92 Å²	92	33.1 Å²	33.1	35%	0.347	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	129.3	176	-162.2	-169.5	-58.9	170.3	-0.5	112.3	Y186 P213 H214 E215 F251	R153-Y186 HydrophobicContact CG-CD2 3.83Å; R153-Y186 HydrophobicContact CG-CE2 3.8Å; R153-Y186 PolarHBondContact NH2-OH 2.89Å; R153-P213 HydrophobicContact CG-CB 4.3Å; R153-H214 CarbonylContact C-O 3.6Å; R153-H214 WeakPolarHBondContact CA-O 3.5Å; R153-E215 HydrophobicContact CB-CB 4.01Å; R153-E215 IonicContact NE-OE2 3.91Å; R153-F251 HydrophobicContact CB-CE1 3.91Å; R153-F251 HydrophobicContact CB-CZ 3.63Å; R153-F251 HydrophobicContact CG-CD1 4.48Å; R153-F251 HydrophobicContact CG-CE1 3.43Å; R153-F251 VanDerWaalsContact CG-CE1 3.43Å; R153-F251 HydrophobicContact CG-CZ 3.71Å; R153-F251 WeakPolarHBondContact O-CZ 3.38Å
154	H	92.6	Very high	90	Very high	15 Å²	15	33.2 Å²	33.2	7%	0.069	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	174.1	-179.6	69.2	-77.6	0	0	0	111.6	F93 Y151 V152 D156 P213 H214 Q246	F93-H154 HydrophobicContact CZ-CB 3.94Å; Y151-H154 AromaticContact CD2-CE1 3.58Å; Y151-H154 AromaticContact CD2-ND1 3.42Å; Y151-H154 WeakPolarHBondContact CD2-ND1 3.47Å; Y151-H154 AromaticContact CE1-CE1 3.81Å; Y151-H154 HydrophobicContact CE2-CB 4.41Å; Y151-H154 AromaticContact CE2-CE1 3.26Å; Y151-H154 WeakPolarHBondContact CE2-CE1 3.12Å; Y151-H154 AromaticContact CE2-CG 3.69Å; Y151-H154 AromaticContact CE2-ND1 3.15Å; Y151-H154 WeakPolarHBondContact CE2-ND1 3.19Å; Y151-H154 AromaticContact CE2-NE2 3.81Å; Y151-H154 AromaticContact CG-CE1 3.99Å; Y151-H154 AromaticContact CZ-CE1 3.44Å; Y151-H154 VanDerWaalsContact CZ-CE1 3.44Å; Y151-H154 AromaticContact CZ-ND1 3.81Å; Y151-H154 AromaticContact CZ-NE2 3.64Å; V152-H154 PolarHBondContact O-N 3.41Å; V152-H154 PolarHBondContact O-ND1 3.16Å; V152-H154 VanDerWaalsContact O-ND1 3.11Å; H154-D156 IonicContact NE2-OD1 3.15Å; H154-P213 CarbonylContact O-C 3.51Å; H154-P213 VanDerWaalsContact O-CA 3.24Å; H154-P213 WeakPolarHBondContact O-CA 3.47Å; H154-H214 AromaticContact CE1-CD2 3.63Å; H154-H214 AromaticContact CE1-CE1 3.98Å; H154-H214 AromaticContact CE1-NE2 3.23Å; H154-H214 PolarHBondContact CE1-NE2 2.9Å; H154-H214 PolarHBondContact N-O 2.98Å; H154-H214 PolarHBondContact ND1-O 3.01Å; H154-H214 AromaticContact NE2-CE1 3.72Å; H154-H214 AromaticContact NE2-NE2 3.24Å; H154-H214 PolarHBondContact NE2-NE2 3.37Å; H154-H214 PolarHBondContact O-N 2.83Å; H154-Q246 PolarHBondContact CD2-NE2 2.8Å; H154-Q246 PolarHBondContact CD2-OE1 3.19Å; H154-Q246 PolarHBondContact NE2-NE2 3.49Å
155	V	92.4	Very high	90.1	Very high	21 Å²	21	33.1 Å²	33.1	13%	0.127	19%	0.187	C	C	.	.			trans	-115	134.8	169	174.8	0	0	0	0	106.5	P158 S208 D209 P213	V155-P158 HydrophobicContact CB-CB 4.43Å; V155-P158 WeakPolarHBondContact O-CD 3.31Å; V155-S208 WeakPolarHBondContact CG1-O 3.31Å; V155-D209 VanDerWaalsContact CG1-C 3.41Å; V155-D209 WeakPolarHBondContact CG1-O 3.29Å; V155-P213 HydrophobicContact CG2-CB 4.14Å; V155-P213 HydrophobicContact CG2-CG 4.03Å
156	D	91.1	Very high	90.2	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.032	19%	0.188	C	C	.	.	S	Bend	trans	-66.3	-45.3	-177.6	-95	-37.3	0	0	0	111	H154 P158 R163 T166 S208 H214 F244	H154-D156 IonicContact NE2-OD1 3.15Å; D156-P158 WeakPolarHBondContact O-CD 3.45Å; D156-R163 PolarHBondContact O-NH1 2.82Å; D156-R163 PolarHBondContact O-NH2 3.11Å; D156-T166 WeakPolarHBondContact OD2-CB 3.28Å; D156-T166 WeakPolarHBondContact OD2-CG2 3.2Å; D156-T166 PolarHBondContact OD2-OG1 2.76Å; D156-S208 WeakPolarHBondContact CB-O 3.45Å; D156-S208 PolarHBondContact N-O 2.77Å; D156-H214 IonicContact OD2-CE1 3.14Å; D156-H214 PolarHBondContact OD2-CE1 3.32Å; D156-H214 IonicContact OD2-NE2 3.33Å; D156-F244 WeakPolarHBondContact OD1-CE1 3.39Å
157	N	90.2	Very high	90.5	Very high	12 Å²	12	32 Å²	32	6%	0.064	18%	0.179	C	C	.	.	S	Bend	trans	-110.6	70.7	178.6	-170.5	7	0	0	0	112.3	D159 G160 D161 R163 S208	N157-D159 VanDerWaalsContact C-N 3.33Å; N157-D159 PolarHBondContact O-N 3Å; N157-G160 VanDerWaalsContact OD1-CA 3.3Å; N157-G160 WeakPolarHBondContact OD1-CA 3.26Å; N157-G160 PolarHBondContact OD1-N 3.14Å; N157-D161 PolarHBondContact ND2-N 3.08Å; N157-D161 PolarHBondContact ND2-OD1 3.34Å; N157-D161 VanDerWaalsContact OD1-CG 3.25Å; N157-D161 PolarHBondContact OD1-N 3.34Å; N157-D161 PolarHBondContact OD1-OD1 3.03Å; N157-R163 HydrophobicContact CB-CB 3.92Å; N157-R163 PolarHBondContact ND2-N 3.46Å; N157-R163 PolarHBondContact ND2-O 2.88Å; N157-S208 WeakPolarHBondContact CB-O 3.43Å; N157-S208 PolarHBondContact N-O 3.02Å
158	P	83	Confident	90.8	Very high	33 Å²	33	27.4 Å²	27.4	21%	0.214	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-25.2	-175.9	31.6	-35.3	0	0	0	112.9	V155 D156	V155-P158 HydrophobicContact CB-CB 4.43Å; V155-P158 WeakPolarHBondContact O-CD 3.31Å; D156-P158 WeakPolarHBondContact O-CD 3.45Å
159	D	81	Confident	91.2	Very high	68 Å²	68	23.2 Å²	23.2	36%	0.364	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	2.2	-173.2	-69.2	-38.3	0	0	0	112.9	N157 R249	N157-D159 VanDerWaalsContact C-N 3.33Å; N157-D159 PolarHBondContact O-N 3Å; D159-R249 IonicContact OD1-NH1 2.66Å
160	G	80	Confident	91.5	Very high	35 Å²	35	23.2 Å²	23.2	36%	0.361	13%	0.127	S	C	.	.			trans	68.3	38	-177.8	0	0	0	0	0	113	N157 G162	N157-G160 VanDerWaalsContact OD1-CA 3.3Å; N157-G160 WeakPolarHBondContact OD1-CA 3.26Å; N157-G160 PolarHBondContact OD1-N 3.14Å; G160-G162 PolarHBondContact O-N 3.33Å
161	D	81.3	Confident	91.7	Very high	35 Å²	35	19.2 Å²	19.2	19%	0.187	11%	0.111	C	C	.	.			trans	-71.9	13	-177.4	85	-2.2	0	0	0	114.1	N157 R163 V239	N157-D161 PolarHBondContact ND2-N 3.08Å; N157-D161 PolarHBondContact ND2-OD1 3.34Å; N157-D161 VanDerWaalsContact OD1-CG 3.25Å; N157-D161 PolarHBondContact OD1-N 3.34Å; N157-D161 PolarHBondContact OD1-OD1 3.03Å; D161-R163 VanDerWaalsContact C-N 3.34Å; D161-R163 PolarHBondContact O-N 2.92Å; D161-R163 VanDerWaalsContact OD1-CB 3.26Å; D161-R163 WeakPolarHBondContact OD1-CB 3.28Å; D161-R163 VanDerWaalsContact OD1-CG 3.28Å; D161-R163 WeakPolarHBondContact OD1-CG 3.39Å; D161-R163 PolarHBondContact OD1-N 3.03Å; D161-R163 IonicContact OD1-NE 3.94Å; D161-R163 PolarHBondContact OD1-NE 3.14Å; D161-R163 VanDerWaalsContact OD1-NE 3.11Å; D161-R163 IonicContact OD2-CZ 3.87Å; D161-R163 VanDerWaalsContact OD2-CZ 3.23Å; D161-R163 IonicContact OD2-NE 2.86Å; D161-R163 PolarHBondContact OD2-NE 2.73Å; D161-R163 IonicContact OD2-NH2 3.97Å; D161-R163 PolarHBondContact OD2-NH2 3.17Å; D161-V239 HydrophobicContact CB-CG1 4.16Å; D161-V239 HydrophobicContact CB-CG2 3.67Å; D161-V239 VanDerWaalsContact O-CG2 3.23Å; D161-V239 WeakPolarHBondContact O-CG2 3.42Å
162	G	86	Confident	91.9	Very high	20 Å²	20	19.1 Å²	19.1	21%	0.206	11%	0.111	C	C	.	.	S	Bend	trans	85.5	-12.5	-179.6	0	0	0	0	0	115.8	G160 L164 A233 R234	G160-G162 PolarHBondContact O-N 3.33Å; G162-L164 PolarHBondContact O-N 2.89Å; G162-A233 CarbonylContact O-C 3.56Å; G162-A233 WeakPolarHBondContact O-CA 3.09Å; G162-A233 WeakPolarHBondContact O-CB 2.92Å; G162-R234 PolarHBondContact O-N 3.06Å
163	R	90.5	Very high	92	Very high	6 Å²	6	18.1 Å²	18.1	2%	0.023	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	129.4	170.9	-76.2	-177.5	-78.8	163.2	-2.6	111.2	D156 N157 D161 N231 A233	D156-R163 PolarHBondContact O-NH1 2.82Å; D156-R163 PolarHBondContact O-NH2 3.11Å; N157-R163 HydrophobicContact CB-CB 3.92Å; N157-R163 PolarHBondContact ND2-N 3.46Å; N157-R163 PolarHBondContact ND2-O 2.88Å; D161-R163 VanDerWaalsContact C-N 3.34Å; D161-R163 PolarHBondContact O-N 2.92Å; D161-R163 VanDerWaalsContact OD1-CB 3.26Å; D161-R163 WeakPolarHBondContact OD1-CB 3.28Å; D161-R163 VanDerWaalsContact OD1-CG 3.28Å; D161-R163 WeakPolarHBondContact OD1-CG 3.39Å; D161-R163 PolarHBondContact OD1-N 3.03Å; D161-R163 IonicContact OD1-NE 3.94Å; D161-R163 PolarHBondContact OD1-NE 3.14Å; D161-R163 VanDerWaalsContact OD1-NE 3.11Å; D161-R163 IonicContact OD2-CZ 3.87Å; D161-R163 VanDerWaalsContact OD2-CZ 3.23Å; D161-R163 IonicContact OD2-NE 2.86Å; D161-R163 PolarHBondContact OD2-NE 2.73Å; D161-R163 IonicContact OD2-NH2 3.97Å; D161-R163 PolarHBondContact OD2-NH2 3.17Å; R163-N231 VanDerWaalsContact CD-CB 3.48Å; R163-N231 WeakPolarHBondContact CD-OD1 3.48Å; R163-N231 HydrophobicContact CG-CB 3.95Å; R163-A233 HydrophobicContact CG-CB 4.28Å
164	L	93.1	Very high	92	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	-53.1	-172.5	178.7	58.9	0	0	0	112.2	L129 N132 I134 G162 W207 S208 F232 R234	L129-L164 HydrophobicContact CD1-CD2 4.04Å; N132-L164 HydrophobicContact CB-CD2 3.72Å; I134-L164 HydrophobicContact CD1-CD2 4.38Å; I134-L164 HydrophobicContact CG1-CD2 4.01Å; G162-L164 PolarHBondContact O-N 2.89Å; L164-W207 HydrophobicContact CD1-CE3 3.76Å; L164-W207 HydrophobicContact CD1-CZ3 3.73Å; L164-W207 HydrophobicContact CD2-CZ3 4.4Å; L164-W207 HydrophobicContact CG-CE3 4.17Å; L164-W207 HydrophobicContact CG-CZ3 3.94Å; L164-W207 WeakPolarHBondContact O-CA 3.46Å; L164-S208 PolarHBondContact O-N 3.36Å; L164-S208 PolarHBondContact O-OG 2.89Å; L164-F232 PolarHBondContact N-O 2.78Å; L164-R234 HydrophobicContact CB-CG 4.19Å; L164-R234 HydrophobicContact CD2-CG 4.02Å
165	I	95.8	Very high	92.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.8	-177.6	-52.7	-174	0	0	0	108.8	L45 I122 I125 L129 I134 F205 W207 S208 F232	L45-I165 HydrophobicContact CD1-CD1 3.95Å; I122-I165 HydrophobicContact CD1-CD1 4.37Å; I122-I165 HydrophobicContact CD1-CG2 4.2Å; I125-I165 HydrophobicContact CG2-CD1 3.82Å; L129-I165 HydrophobicContact CD1-CD1 4.39Å; I134-I165 HydrophobicContact CD1-CD1 3.8Å; I134-I165 HydrophobicContact CD1-CG1 4.2Å; I165-F205 HydrophobicContact CG2-CB 4.39Å; I165-F205 HydrophobicContact CG2-CD1 4.48Å; I165-W207 HydrophobicContact CD1-CZ3 4.31Å; I165-W207 HydrophobicContact CG1-CE3 4.21Å; I165-W207 HydrophobicContact CG1-CZ3 4.03Å; I165-S208 PolarHBondContact N-OG 3.17Å; I165-F232 PolarHBondContact N-O 3.09Å; I165-F232 PolarHBondContact O-N 2.89Å
166	T	97.3	Very high	92.3	Very high	3 Å²	3	27 Å²	27	2%	0.018	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.6	166	-55.1	0	0	0	0	108.6	D156 V168 F205 F206 S208 N231	D156-T166 WeakPolarHBondContact OD2-CB 3.28Å; D156-T166 WeakPolarHBondContact OD2-CG2 3.2Å; D156-T166 PolarHBondContact OD2-OG1 2.76Å; T166-V168 HydrophobicContact CG2-CG2 4.14Å; T166-F205 WeakPolarHBondContact O-CA 3.34Å; T166-F206 VanDerWaalsContact CB-CE2 3.46Å; T166-F206 VanDerWaalsContact CB-CZ 3.49Å; T166-F206 HydrophobicContact CG2-CE1 3.91Å; T166-F206 HydrophobicContact CG2-CE2 3.92Å; T166-F206 HydrophobicContact CG2-CZ 3.43Å; T166-F206 VanDerWaalsContact CG2-CZ 3.43Å; T166-F206 PolarHBondContact N-O 2.8Å; T166-F206 PolarHBondContact O-N 2.96Å; T166-S208 PolarHBondContact N-OG 2.79Å; T166-S208 WeakPolarHBondContact OG1-CB 3.34Å; T166-S208 PolarHBondContact OG1-OG 3.05Å; T166-N231 PolarHBondContact OG1-OD1 3.34Å; T166-N231 VanDerWaalsContact OG1-OD1 3.1Å
167	C	98.5	Very high	92.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.2	174.8	-58.5	0	0	0	0	109.6	F118 M203 T204 F205 H229 L230 F232	F118-C167 HydrophobicContact CD1-CB 3.76Å; F118-C167 HydrophobicContact CE1-CB 3.46Å; F118-C167 VanDerWaalsContact CE1-CB 3.46Å; C167-M203 HydrophobicContact CB-CE 4.26Å; C167-M203 HydrophobicContact CB-SD 4.1Å; C167-T204 CarbonylContact C-O 3.6Å; C167-T204 WeakPolarHBondContact CA-O 3.42Å; C167-F205 VanDerWaalsContact SG-CD1 3.5Å; C167-H229 WeakPolarHBondContact O-CA 3.38Å; C167-L230 PolarHBondContact N-O 2.98Å; C167-L230 PolarHBondContact O-N 2.94Å; C167-F232 HydrophobicContact CB-CE2 4.15Å; C167-F232 VanDerWaalsContact SG-CE2 3.6Å
168	V	98.4	Very high	92.7	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.018	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	117.4	-176.8	174.9	0	0	0	0	108.8	T166 Y170 M203 T204 F206 V227 C228	T166-V168 HydrophobicContact CG2-CG2 4.14Å; V168-Y170 HydrophobicContact CG1-CD2 4.24Å; V168-Y170 HydrophobicContact CG1-CE1 4.07Å; V168-Y170 HydrophobicContact CG1-CE2 3.6Å; V168-Y170 VanDerWaalsContact CG1-CZ 3.5Å; V168-M203 CarbonylContact O-C 3.6Å; V168-M203 WeakPolarHBondContact O-CA 3.42Å; V168-T204 PolarHBondContact N-O 3.21Å; V168-T204 PolarHBondContact O-N 3.21Å; V168-F206 HydrophobicContact CG2-CE1 3.9Å; V168-F206 HydrophobicContact CG2-CZ 4.46Å; V168-V227 HydrophobicContact CG1-CG2 3.4Å; V168-C228 WeakPolarHBondContact CA-O 3.33Å
169	Y	98.7	Very high	93.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	126	178.2	178.5	-98.8	0	0	0	111.9	F56 V57 A62 V65 L114 F118 M171 D201 R202 M203 V227 C228	F56-Y169 HydrophobicContact CB-CD2 4.29Å; F56-Y169 HydrophobicContact CB-CE2 3.96Å; F56-Y169 AromaticContact CD1-CD2 3.93Å; F56-Y169 HydrophobicContact CD1-CD2 3.93Å; F56-Y169 AromaticContact CD1-CE2 4Å; F56-Y169 HydrophobicContact CD1-CE2 4Å; F56-Y169 HydrophobicContact CG-CD2 4.45Å; F56-Y169 HydrophobicContact CG-CE2 4.44Å; V57-Y169 HydrophobicContact CG2-CE2 4.46Å; V57-Y169 VanDerWaalsContact CG2-OH 3.28Å; V57-Y169 WeakPolarHBondContact CG2-OH 3.26Å; A62-Y169 WeakPolarHBondContact CB-OH 3.43Å; V65-Y169 HydrophobicContact CG1-CE1 4.47Å; L114-Y169 HydrophobicContact CD1-CD1 3.96Å; L114-Y169 HydrophobicContact CD1-CD2 4.12Å; L114-Y169 HydrophobicContact CD1-CE1 3.93Å; L114-Y169 HydrophobicContact CD1-CE2 4.11Å; L114-Y169 HydrophobicContact CD1-CG 4.03Å; L114-Y169 HydrophobicContact CD2-CD1 3.45Å; L114-Y169 VanDerWaalsContact CD2-CD1 3.45Å; L114-Y169 HydrophobicContact CD2-CE1 3.75Å; L114-Y169 HydrophobicContact CD2-CG 4.12Å; L114-Y169 HydrophobicContact CG-CD1 4.35Å; F118-Y169 HydrophobicContact CE2-CG 4.26Å; F118-Y169 VanDerWaalsContact CZ-CB 3.46Å; F118-Y169 HydrophobicContact CZ-CG 4.47Å; Y169-M171 HydrophobicContact CD1-CE 4.47Å; Y169-M171 HydrophobicContact CD1-CG 3.78Å; Y169-M171 HydrophobicContact CD1-SD 4.45Å; Y169-M171 HydrophobicContact CE1-CG 3.5Å; Y169-M171 VanDerWaalsContact CE1-CG 3.5Å; Y169-M171 HydrophobicContact CE1-SD 4.41Å; Y169-D201 VanDerWaalsContact CE2-OD1 3.28Å; Y169-D201 WeakPolarHBondContact CE2-OD1 3.44Å; Y169-D201 WeakPolarHBondContact OH-CA 3.23Å; Y169-D201 PolarHBondContact OH-OD1 3.41Å; Y169-R202 CarbonylContact C-O 3.41Å; Y169-R202 WeakPolarHBondContact CA-O 3.28Å; Y169-M203 HydrophobicContact CD2-CB 4.28Å; Y169-V227 CarbonylContact O-C 3.56Å; Y169-V227 WeakPolarHBondContact O-CA 3.33Å; Y169-V227 VanDerWaalsContact O-CG2 3.23Å; Y169-V227 WeakPolarHBondContact O-CG2 3.17Å; Y169-C228 PolarHBondContact N-O 3.38Å; Y169-C228 PolarHBondContact O-N 3.43Å
170	Y	98.4	Very high	94	Very high	3 Å²	3	35.2 Å²	35.2	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	141.6	-176.1	-69.7	-69.2	0	0	0	112.8	V168 L183 V196 P198 L199 D201 R202 V227	V168-Y170 HydrophobicContact CG1-CD2 4.24Å; V168-Y170 HydrophobicContact CG1-CE1 4.07Å; V168-Y170 HydrophobicContact CG1-CE2 3.6Å; V168-Y170 VanDerWaalsContact CG1-CZ 3.5Å; Y170-L183 WeakPolarHBondContact OH-CB 3.47Å; Y170-V196 HydrophobicContact CE2-CG1 4.16Å; Y170-P198 VanDerWaalsContact CD1-CA 3.43Å; Y170-P198 HydrophobicContact CD1-CB 3.15Å; Y170-P198 HydrophobicContact CD2-CB 4.34Å; Y170-P198 HydrophobicContact CE1-CB 3.32Å; Y170-P198 HydrophobicContact CE2-CB 4.46Å; Y170-P198 HydrophobicContact CG-CB 3.72Å; Y170-L199 CarbonylContact C-O 3.57Å; Y170-L199 WeakPolarHBondContact CB-O 3.47Å; Y170-D201 PolarHBondContact O-N 3.4Å; Y170-R202 HydrophobicContact CD2-CB 4.43Å; Y170-R202 HydrophobicContact CD2-CG 4.31Å; Y170-R202 PolarHBondContact N-O 3.36Å; Y170-V227 HydrophobicContact CD1-CB 3.81Å; Y170-V227 HydrophobicContact CD1-CG2 3.43Å; Y170-V227 VanDerWaalsContact CD1-CG2 3.43Å; Y170-V227 HydrophobicContact CE1-CB 3.89Å; Y170-V227 HydrophobicContact CE1-CG2 3.38Å; Y170-V227 HydrophobicContact CG-CG2 4.16Å
171	M	96.6	Very high	94.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.158	C	C	.	.			trans	-121.8	20.2	-171.8	-68.2	166.7	-91.4	0	0	112.7	V65 L66 A69 L142 Y169 P173 L200 V226 V227 C228	V65-M171 HydrophobicContact CG1-CG 4.27Å; V65-M171 HydrophobicContact CG1-SD 3.5Å; V65-M171 VanDerWaalsContact CG1-SD 3.5Å; L66-M171 HydrophobicContact CB-CB 4.17Å; L66-M171 HydrophobicContact CD1-CB 3.94Å; L66-M171 WeakPolarHBondContact CD1-O 3.42Å; L66-M171 VanDerWaalsContact CD2-O 3.25Å; L66-M171 WeakPolarHBondContact CD2-O 3.45Å; A69-M171 HydrophobicContact CB-SD 4.16Å; L142-M171 HydrophobicContact CD2-CE 4.37Å; Y169-M171 HydrophobicContact CD1-CE 4.47Å; Y169-M171 HydrophobicContact CD1-CG 3.78Å; Y169-M171 HydrophobicContact CD1-SD 4.45Å; Y169-M171 HydrophobicContact CE1-CG 3.5Å; Y169-M171 VanDerWaalsContact CE1-CG 3.5Å; Y169-M171 HydrophobicContact CE1-SD 4.41Å; M171-P173 WeakPolarHBondContact O-CD 3.43Å; M171-L200 WeakPolarHBondContact O-CD1 3.39Å; M171-V226 HydrophobicContact CB-CB 4.47Å; M171-V226 HydrophobicContact CE-CG1 3.77Å; M171-V226 PolarHBondContact N-O 3.39Å; M171-V226 HydrophobicContact SD-CG1 4.23Å; M171-V227 VanDerWaalsContact CE-C 3.46Å; M171-C228 HydrophobicContact CE-CB 3.92Å
172	N	97	Very high	95.5	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.027	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-103	104.4	-166.6	-44.7	-73.9	0	0	0	113.9	W175 P198 L200 N225 V226	N172-W175 HydrophobicContact CB-CB 4.28Å; N172-W175 HydrophobicContact CB-CD2 4.06Å; N172-W175 HydrophobicContact CB-CE3 3.43Å; N172-W175 VanDerWaalsContact CB-CE3 3.43Å; N172-W175 HydrophobicContact CB-CG 4.45Å; N172-W175 HydrophobicContact CB-CZ3 4.03Å; N172-P198 WeakPolarHBondContact CB-O 3.27Å; N172-P198 PolarHBondContact ND2-O 3.47Å; N172-L200 PolarHBondContact O-N 3.32Å; N172-N225 PolarHBondContact ND2-OD1 3.28Å; N172-N225 WeakPolarHBondContact OD1-CA 3.41Å; N172-V226 PolarHBondContact ND2-O 2.79Å; N172-V226 PolarHBondContact OD1-N 3.15Å
173	P	95.9	Very high	96.1	Very high	22 Å²	22	31.5 Å²	31.5	14%	0.143	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	144.8	177.4	28.1	-34.9	0	0	0	111.1	Y63 L66 M171 W175 L200 R221	Y63-P173 HydrophobicContact CE1-CB 3.93Å; Y63-P173 HydrophobicContact CE1-CG 4.04Å; L66-P173 HydrophobicContact CD2-CG 3.98Å; M171-P173 WeakPolarHBondContact O-CD 3.43Å; P173-W175 PolarHBondContact O-N 2.85Å; P173-L200 HydrophobicContact CB-CB 4.48Å; P173-L200 HydrophobicContact CB-CD2 4.29Å; P173-R221 PolarHBondContact O-NH2 3.24Å
174	N	94.5	Very high	96.5	Very high	127 Å²	127	34.2 Å²	34.2	68%	0.679	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	33.5	173.8	-51.8	-47.2	0	0	0	113.4	R221	N174-R221 PolarHBondContact O-NH1 3.2Å; N174-R221 PolarHBondContact O-NH2 2.96Å
175	W	95.5	Very high	96.7	Very high	14 Å²	14	34.1 Å²	34.1	5%	0.053	15%	0.152	C	C	.	.			trans	-78.1	136.5	175.8	-153.8	-86.9	0	0	0	110.7	N172 P173 D179 G180 P198 L199 T219 R221 R223 N225	N172-W175 HydrophobicContact CB-CB 4.28Å; N172-W175 HydrophobicContact CB-CD2 4.06Å; N172-W175 HydrophobicContact CB-CE3 3.43Å; N172-W175 VanDerWaalsContact CB-CE3 3.43Å; N172-W175 HydrophobicContact CB-CG 4.45Å; N172-W175 HydrophobicContact CB-CZ3 4.03Å; P173-W175 PolarHBondContact O-N 2.85Å; W175-D179 HydrophobicContact CD2-CB 4.23Å; W175-D179 HydrophobicContact CG-CB 4.41Å; W175-D179 HydrophobicContact CZ2-CB 4.03Å; W175-G180 PolarHBondContact NE1-O 2.96Å; W175-P198 VanDerWaalsContact CD1-CG 3.41Å; W175-P198 HydrophobicContact CD2-CG 3.97Å; W175-P198 HydrophobicContact CG-CG 3.79Å; W175-P198 HydrophobicContact CZ2-CG 4.46Å; W175-P198 VanDerWaalsContact NE1-CG 3.3Å; W175-L199 HydrophobicContact CB-CD2 4.01Å; W175-L199 WeakPolarHBondContact O-CD2 3.3Å; W175-T219 HydrophobicContact CH2-CG2 3.93Å; W175-T219 HydrophobicContact CZ2-CG2 3.84Å; W175-R221 HydrophobicContact CH2-CB 3.95Å; W175-R221 HydrophobicContact CH2-CG 4.35Å; W175-R221 HydrophobicContact CZ2-CB 4.18Å; W175-R221 VanDerWaalsContact CZ3-CD 3.47Å; W175-R221 HydrophobicContact CZ3-CG 4.43Å; W175-R223 VanDerWaalsContact CH2-O 3.31Å; W175-R223 WeakPolarHBondContact CH2-O 3.49Å; W175-R223 WeakPolarHBondContact CZ3-O 3.47Å; W175-N225 HydrophobicContact CH2-CB 3.48Å; W175-N225 VanDerWaalsContact CH2-CB 3.48Å; W175-N225 HydrophobicContact CZ2-CB 3.78Å; W175-N225 HydrophobicContact CZ3-CB 4.08Å
176	R	95.2	Very high	96.8	Very high	172 Å²	172	36.3 Å²	36.3	65%	0.649	16%	0.161	S	C	*	.			trans	-116.6	169	-179.9	-54.2	-177.6	174.8	173.4	-2.2	110.7	E178 D179	R176-E178 VanDerWaalsContact C-N 3.3Å; R176-E178 WeakPolarHBondContact CB-OE2 3.48Å; R176-E178 PolarHBondContact O-N 2.97Å; R176-D179 PolarHBondContact N-OD2 2.66Å; R176-D179 WeakPolarHBondContact O-CB 3.38Å; R176-D179 PolarHBondContact O-N 3.27Å
177	R	95	Very high	96.7	Very high	125 Å²	125	36.2 Å²	36.2	47%	0.472	16%	0.161	S	C	.	.	S	Bend	trans	-68	-34.2	-177.7	177.6	171.7	-79	-82.5	1.9	111.7	D179 G180 I182 D195 L197	R177-D179 PolarHBondContact O-N 2.73Å; R177-G180 PolarHBondContact O-N 2.81Å; R177-I182 HydrophobicContact CG-CD1 4.18Å; R177-D195 IonicContact CZ-OD2 3.41Å; R177-D195 IonicContact NH1-OD2 3.75Å; R177-D195 PolarHBondContact NH1-OD2 3.42Å; R177-L197 HydrophobicContact CB-CD2 4.13Å; R177-L197 HydrophobicContact CG-CD2 4.4Å
178	E	94.9	Very high	96.5	Very high	134 Å²	134	40.9 Å²	40.9	63%	0.626	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-24.5	-177.7	-54.2	70.9	-145.9	0	0	111.8	R176 G180 N220	R176-E178 VanDerWaalsContact C-N 3.3Å; R176-E178 WeakPolarHBondContact CB-OE2 3.48Å; R176-E178 PolarHBondContact O-N 2.97Å; E178-G180 PolarHBondContact O-N 3Å; E178-N220 PolarHBondContact O-ND2 3.02Å
179	D	95.9	Very high	96.1	Very high	28 Å²	28	44.4 Å²	44.4	15%	0.15	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-12	177.5	-65.8	-40.6	0	0	0	113.2	W175 R176 R177 N220 R221	W175-D179 HydrophobicContact CD2-CB 4.23Å; W175-D179 HydrophobicContact CG-CB 4.41Å; W175-D179 HydrophobicContact CZ2-CB 4.03Å; R176-D179 PolarHBondContact N-OD2 2.66Å; R176-D179 WeakPolarHBondContact O-CB 3.38Å; R176-D179 PolarHBondContact O-N 3.27Å; R177-D179 PolarHBondContact O-N 2.73Å; D179-N220 PolarHBondContact O-N 2.96Å; D179-R221 HydrophobicContact CB-CB 3.89Å; D179-R221 HydrophobicContact CB-CG 4.48Å; D179-R221 IonicContact OD1-NH1 3.74Å; D179-R221 IonicContact OD2-CZ 2.69Å; D179-R221 IonicContact OD2-NH1 2.94Å; D179-R221 PolarHBondContact OD2-NH1 2.99Å
180	G	96	Very high	95.7	Very high	5 Å²	5	46.6 Å²	46.6	5%	0.052	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	65.4	-147.8	-178.8	0	0	0	0	0	112.6	W175 R177 E178 I182 A218	W175-G180 PolarHBondContact NE1-O 2.96Å; R177-G180 PolarHBondContact O-N 2.81Å; E178-G180 PolarHBondContact O-N 3Å; G180-I182 PolarHBondContact O-N 3.15Å; G180-A218 WeakPolarHBondContact CA-O 3.4Å
181	G	95.6	Very high	95.2	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.266	C	S	.	.			trans	63	26	-177.9	0	0	0	0	0	113.3	P198 T217 A218 T219 N225	G181-P198 WeakPolarHBondContact O-CG 3.37Å; G181-T217 VanDerWaalsContact CA-O 3.31Å; G181-T217 WeakPolarHBondContact CA-O 3.25Å; G181-T217 PolarHBondContact N-O 2.91Å; G181-T217 PolarHBondContact N-OG1 3.48Å; G181-A218 PolarHBondContact N-O 3.38Å; G181-A218 VanDerWaalsContact N-O 3.09Å; G181-T219 WeakPolarHBondContact CA-OG1 3.25Å; G181-N225 PolarHBondContact O-ND2 3.32Å; G181-N225 VanDerWaalsContact O-ND2 3.08Å
182	I	97.6	Very high	95.1	Very high	9 Å²	9	60.3 Å²	60.3	5%	0.046	30%	0.296	C	S	.	.			trans	-81.9	129.9	-173.3	-55.4	-179.5	0	0	0	108.2	R177 G180 R184 D195 V196 L197 V216 T217	R177-I182 HydrophobicContact CG-CD1 4.18Å; G180-I182 PolarHBondContact O-N 3.15Å; I182-R184 PolarHBondContact O-N 3.07Å; I182-D195 HydrophobicContact CG2-CB 3.66Å; I182-V196 WeakPolarHBondContact CG2-O 3.33Å; I182-L197 HydrophobicContact CD1-CD2 3.78Å; I182-L197 HydrophobicContact CG1-CD2 3.85Å; I182-V216 WeakPolarHBondContact O-CA 3.5Å; I182-T217 HydrophobicContact CB-CG2 4.3Å; I182-T217 WeakPolarHBondContact CB-OG1 3.23Å; I182-T217 PolarHBondContact N-OG1 3.24Å; I182-T217 PolarHBondContact O-N 3.14Å
183	L	98	Very high	95	Very high	4 Å²	4	63.7 Å²	63.7	2%	0.021	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	115.2	165.1	167	70.6	0	0	0	108.3	Y170 L185 V196 T204 F206 H214 E215	Y170-L183 WeakPolarHBondContact OH-CB 3.47Å; L183-L185 HydrophobicContact CD1-CD2 4.07Å; L183-L185 HydrophobicContact CD2-CD2 4.16Å; L183-L185 HydrophobicContact CG-CD2 4.07Å; L183-L185 HydrophobicContact CG-CG 4.4Å; L183-V196 HydrophobicContact CB-CB 4.2Å; L183-V196 HydrophobicContact CD2-CB 4.45Å; L183-V196 HydrophobicContact CD2-CG2 4.44Å; L183-V196 PolarHBondContact N-O 3.43Å; L183-V196 VanDerWaalsContact N-O 3.11Å; L183-V196 PolarHBondContact O-N 2.97Å; L183-T204 HydrophobicContact CD2-CG2 4.28Å; L183-F206 HydrophobicContact CD2-CE1 4.18Å; L183-H214 HydrophobicContact CD1-CB 3.99Å; L183-E215 CarbonylContact C-O 3.5Å; L183-E215 WeakPolarHBondContact CA-O 3.21Å
184	R	98.3	Very high	95	Very high	62 Å²	62	64.4 Å²	64.4	23%	0.234	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	113.1	176.5	176.4	170.4	-72.1	164.5	-1.9	109.5	I182 Y186 N193 I194 D195 H214 E215	I182-R184 PolarHBondContact O-N 3.07Å; R184-Y186 WeakPolarHBondContact CD-OH 3.06Å; R184-Y186 HydrophobicContact CG-CE1 4.24Å; R184-Y186 HydrophobicContact CG-CE2 3.81Å; R184-N193 HydrophobicContact CG-CB 3.89Å; R184-I194 CarbonylContact C-O 3.56Å; R184-I194 WeakPolarHBondContact CA-O 3.35Å; R184-D195 IonicContact CZ-OD1 3.53Å; R184-D195 IonicContact NE-OD1 3.95Å; R184-D195 PolarHBondContact NE-OD1 2.83Å; R184-D195 IonicContact NH2-OD1 2.7Å; R184-D195 PolarHBondContact NH2-OD1 3.48Å; R184-D195 VanDerWaalsContact NH2-OD1 3.12Å; R184-D195 IonicContact NH2-OD2 3.85Å; R184-D195 PolarHBondContact NH2-OD2 3.49Å; R184-H214 CarbonylContact O-C 3.58Å; R184-H214 WeakPolarHBondContact O-CA 3.29Å; R184-H214 WeakPolarHBondContact O-CB 3.34Å; R184-E215 HydrophobicContact CB-CG 3.91Å; R184-E215 HydrophobicContact CG-CG 4.5Å; R184-E215 PolarHBondContact N-O 3.22Å; R184-E215 PolarHBondContact O-N 2.77Å
185	L	98.2	Very high	95.2	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	145.9	173.5	-53.8	173	0	0	0	109.8	W50 L183 P187 N193 I194 F206 H214	W50-L185 HydrophobicContact CB-CD1 3.69Å; W50-L185 HydrophobicContact CD2-CD1 4.31Å; W50-L185 HydrophobicContact CG-CD1 3.75Å; L183-L185 HydrophobicContact CD1-CD2 4.07Å; L183-L185 HydrophobicContact CD2-CD2 4.16Å; L183-L185 HydrophobicContact CG-CD2 4.07Å; L183-L185 HydrophobicContact CG-CG 4.4Å; L185-P187 VanDerWaalsContact O-CD 3.31Å; L185-P187 WeakPolarHBondContact O-CD 3.41Å; L185-N193 CarbonylContact O-C 3.55Å; L185-N193 VanDerWaalsContact O-CA 3.25Å; L185-N193 WeakPolarHBondContact O-CA 3.14Å; L185-N193 WeakPolarHBondContact O-CB 3.49Å; L185-I194 HydrophobicContact CB-CB 4.29Å; L185-I194 PolarHBondContact N-O 2.92Å; L185-I194 PolarHBondContact O-N 3.11Å; L185-F206 HydrophobicContact CD2-CD1 4.07Å; L185-F206 HydrophobicContact CD2-CE1 4.26Å; L185-F206 HydrophobicContact CD2-CG 4.21Å; L185-H214 HydrophobicContact CD2-CB 3.55Å
186	Y	97.3	Very high	95.3	Very high	46 Å²	46	59.2 Å²	59.2	18%	0.18	29%	0.29	C	S	.	.			trans	-118.3	63.4	172.2	-59.7	-88.3	0	0	0	109.3	R153 R184 Q188 N193 P213 E215	R153-Y186 HydrophobicContact CG-CD2 3.83Å; R153-Y186 HydrophobicContact CG-CE2 3.8Å; R153-Y186 PolarHBondContact NH2-OH 2.89Å; R184-Y186 WeakPolarHBondContact CD-OH 3.06Å; R184-Y186 HydrophobicContact CG-CE1 4.24Å; R184-Y186 HydrophobicContact CG-CE2 3.81Å; Y186-Q188 PolarHBondContact O-N 3.23Å; Y186-N193 HydrophobicContact CD1-CB 3.87Å; Y186-N193 HydrophobicContact CE1-CB 3.82Å; Y186-P213 WeakPolarHBondContact CB-O 3.37Å; Y186-P213 WeakPolarHBondContact CD2-O 2.97Å; Y186-P213 PolarHBondContact N-O 3.05Å; Y186-P213 WeakPolarHBondContact O-CD 3.28Å; Y186-E215 HydrophobicContact CE2-CG 3.97Å; Y186-E215 PolarHBondContact OH-OE1 2.98Å; Y186-E215 PolarHBondContact OH-OE2 3.11Å
187	P	95.6	Very high	95.4	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.013	27%	0.267	C	S	.	.			trans	-63.8	133.6	-172.5	27.5	-34.4	0	0	0	110.8	L185 S189 S190 I194 R211 N212	L185-P187 VanDerWaalsContact O-CD 3.31Å; L185-P187 WeakPolarHBondContact O-CD 3.41Å; P187-S189 PolarHBondContact O-N 2.94Å; P187-S189 VanDerWaalsContact O-N 3.16Å; P187-S190 PolarHBondContact O-N 2.84Å; P187-I194 HydrophobicContact CG-CG1 3.85Å; P187-R211 CarbonylContact C-O 3.59Å; P187-R211 VanDerWaalsContact CA-O 3.28Å; P187-R211 WeakPolarHBondContact CA-O 3.14Å; P187-N212 WeakPolarHBondContact CB-OD1 3.4Å
188	Q	93.5	Very high	95.5	Very high	97 Å²	97	46.6 Å²	46.6	45%	0.453	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.2	175.8	-71.7	-175.8	-33.3	0	0	112.8	Y186 S190 C210 R211	Y186-Q188 PolarHBondContact O-N 3.23Å; Q188-S190 PolarHBondContact O-N 3.14Å; Q188-C210 VanDerWaalsContact CD-O 3.25Å; Q188-C210 PolarHBondContact NE2-O 3.41Å; Q188-R211 PolarHBondContact N-O 3.01Å
189	S	89.5	Confident	95.6	Very high	78 Å²	78	42.5 Å²	42.5	55%	0.545	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	5.4	175.5	58.2	0	0	0	0	113.9	R48 P187	R48-S189 VanDerWaalsContact C-OG 3.24Å; R48-S189 PolarHBondContact O-OG 3.49Å; P187-S189 PolarHBondContact O-N 2.94Å; P187-S189 VanDerWaalsContact O-N 3.16Å
190	S	90.1	Very high	95.7	Very high	46 Å²	46	42.6 Å²	42.6	32%	0.322	23%	0.227	S	C	.	.			trans	-141.3	142.6	175.8	-160.3	0	0	0	0	112.2	P187 Q188 N192	P187-S190 PolarHBondContact O-N 2.84Å; Q188-S190 PolarHBondContact O-N 3.14Å; S190-N192 PolarHBondContact O-N 2.93Å; S190-N192 PolarHBondContact OG-N 2.83Å
191	N	89.6	Confident	95.8	Very high	172 Å²	172	42.5 Å²	42.5	92%	0.92	23%	0.225	S	C	*	.	S	Bend	trans	-74.8	-12.5	170	-66.2	-16.3	0	0	0	112.6
192	N	93.5	Very high	95.9	Very high	119 Å²	119	43 Å²	43	64%	0.636	23%	0.227	S	C	*	.	S	Bend	trans	-109	143	-178.8	-66.7	-40.2	0	0	0	110.7	S190	S190-N192 PolarHBondContact O-N 2.93Å; S190-N192 PolarHBondContact OG-N 2.83Å
193	N	95.7	Very high	95.9	Very high	76 Å²	76	42.6 Å²	42.6	41%	0.406	23%	0.225	S	C	.	.			trans	-67.2	153.5	165.2	62	59.8	0	0	0	110.5	R184 L185 Y186	R184-N193 HydrophobicContact CG-CB 3.89Å; L185-N193 CarbonylContact O-C 3.55Å; L185-N193 VanDerWaalsContact O-CA 3.25Å; L185-N193 WeakPolarHBondContact O-CA 3.14Å; L185-N193 WeakPolarHBondContact O-CB 3.49Å; Y186-N193 HydrophobicContact CD1-CB 3.87Å; Y186-N193 HydrophobicContact CE1-CB 3.82Å
194	I	96.4	Very high	95.9	Very high	36 Å²	36	42.4 Å²	42.4	19%	0.185	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	119.5	-179.2	-53.8	-62.6	0	0	0	108.5	W50 R184 L185 P187	W50-I194 HydrophobicContact CD2-CG2 4.41Å; W50-I194 HydrophobicContact CH2-CG2 3.91Å; W50-I194 HydrophobicContact CZ2-CB 4.36Å; W50-I194 HydrophobicContact CZ2-CD1 4.08Å; W50-I194 HydrophobicContact CZ2-CG1 3.98Å; W50-I194 HydrophobicContact CZ2-CG2 3.57Å; W50-I194 HydrophobicContact CZ3-CG2 4.49Å; R184-I194 CarbonylContact C-O 3.56Å; R184-I194 WeakPolarHBondContact CA-O 3.35Å; L185-I194 HydrophobicContact CB-CB 4.29Å; L185-I194 PolarHBondContact N-O 2.92Å; L185-I194 PolarHBondContact O-N 3.11Å; P187-I194 HydrophobicContact CG-CG1 3.85Å
195	D	97.8	Very high	95.9	Very high	32 Å²	32	39.5 Å²	39.5	17%	0.171	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.6	178.3	-81.6	-2.6	0	0	0	111.2	R177 I182 R184	R177-D195 IonicContact CZ-OD2 3.41Å; R177-D195 IonicContact NH1-OD2 3.75Å; R177-D195 PolarHBondContact NH1-OD2 3.42Å; I182-D195 HydrophobicContact CG2-CB 3.66Å; R184-D195 IonicContact CZ-OD1 3.53Å; R184-D195 IonicContact NE-OD1 3.95Å; R184-D195 PolarHBondContact NE-OD1 2.83Å; R184-D195 IonicContact NH2-OD1 2.7Å; R184-D195 PolarHBondContact NH2-OD1 3.48Å; R184-D195 VanDerWaalsContact NH2-OD1 3.12Å; R184-D195 IonicContact NH2-OD2 3.85Å; R184-D195 PolarHBondContact NH2-OD2 3.49Å
196	V	97.8	Very high	95.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	109.5	174	-170.9	0	0	0	0	109.2	I52 Y170 I182 L183 T204	I52-V196 HydrophobicContact CD1-CB 4.39Å; I52-V196 HydrophobicContact CD1-CG1 4.12Å; I52-V196 HydrophobicContact CD1-CG2 3.61Å; I52-V196 HydrophobicContact CG1-CG1 4.34Å; I52-V196 HydrophobicContact CG1-CG2 4.18Å; Y170-V196 HydrophobicContact CE2-CG1 4.16Å; I182-V196 WeakPolarHBondContact CG2-O 3.33Å; L183-V196 HydrophobicContact CB-CB 4.2Å; L183-V196 HydrophobicContact CD2-CB 4.45Å; L183-V196 HydrophobicContact CD2-CG2 4.44Å; L183-V196 PolarHBondContact N-O 3.43Å; L183-V196 VanDerWaalsContact N-O 3.11Å; L183-V196 PolarHBondContact O-N 2.97Å; V196-T204 WeakPolarHBondContact CG1-OG1 3.29Å; V196-T204 HydrophobicContact CG2-CG2 4.43Å
197	L	97.4	Very high	95.8	Very high	32 Å²	32	37.6 Å²	37.6	17%	0.168	21%	0.205	C	C	.	.			trans	-68.3	137.4	173.1	-63.9	-178.4	0	0	0	110	R177 I182 L199 R202	R177-L197 HydrophobicContact CB-CD2 4.13Å; R177-L197 HydrophobicContact CG-CD2 4.4Å; I182-L197 HydrophobicContact CD1-CD2 3.78Å; I182-L197 HydrophobicContact CG1-CD2 3.85Å; L197-L199 HydrophobicContact CB-CD2 3.79Å; L197-L199 HydrophobicContact CB-CG 3.92Å; L197-L199 HydrophobicContact CD1-CD2 4.42Å; L197-L199 PolarHBondContact O-N 3.14Å; L197-R202 WeakPolarHBondContact O-CD 3.3Å; L197-R202 PolarHBondContact O-NH1 3.41Å; L197-R202 VanDerWaalsContact O-NH1 3.12Å
198	P	97.3	Very high	95.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.205	C	C	.	.			trans	-81.3	56.4	-174.3	37	-40.7	0	0	0	112	Y170 N172 W175 G181	Y170-P198 VanDerWaalsContact CD1-CA 3.43Å; Y170-P198 HydrophobicContact CD1-CB 3.15Å; Y170-P198 HydrophobicContact CD2-CB 4.34Å; Y170-P198 HydrophobicContact CE1-CB 3.32Å; Y170-P198 HydrophobicContact CE2-CB 4.46Å; Y170-P198 HydrophobicContact CG-CB 3.72Å; N172-P198 WeakPolarHBondContact CB-O 3.27Å; N172-P198 PolarHBondContact ND2-O 3.47Å; W175-P198 VanDerWaalsContact CD1-CG 3.41Å; W175-P198 HydrophobicContact CD2-CG 3.97Å; W175-P198 HydrophobicContact CG-CG 3.79Å; W175-P198 HydrophobicContact CZ2-CG 4.46Å; W175-P198 VanDerWaalsContact NE1-CG 3.3Å; G181-P198 WeakPolarHBondContact O-CG 3.37Å
199	L	97.5	Very high	95.7	Very high	48 Å²	48	34.6 Å²	34.6	25%	0.251	19%	0.193	S	C	.	.	B	Isolated β-bridge	trans	-73.5	151.2	-173.9	-52.7	-173.2	0	0	0	112.2	Y170 W175 L197 D201 R202	Y170-L199 CarbonylContact C-O 3.57Å; Y170-L199 WeakPolarHBondContact CB-O 3.47Å; W175-L199 HydrophobicContact CB-CD2 4.01Å; W175-L199 WeakPolarHBondContact O-CD2 3.3Å; L197-L199 HydrophobicContact CB-CD2 3.79Å; L197-L199 HydrophobicContact CB-CG 3.92Å; L197-L199 HydrophobicContact CD1-CD2 4.42Å; L197-L199 PolarHBondContact O-N 3.14Å; L199-D201 PolarHBondContact O-N 2.89Å; L199-R202 HydrophobicContact CB-CB 4.38Å; L199-R202 WeakPolarHBondContact O-CB 3.39Å; L199-R202 PolarHBondContact O-N 3.41Å
200	L	97.5	Very high	95.9	Very high	30 Å²	30	33.1 Å²	33.1	16%	0.157	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	132.6	170.4	-178.4	71.2	0	0	0	110.7	A62 Y63 M171 N172 P173 R202	A62-L200 HydrophobicContact CB-CD1 3.73Å; A62-L200 HydrophobicContact CB-CD2 4.47Å; A62-L200 HydrophobicContact CB-CG 3.97Å; Y63-L200 HydrophobicContact CD1-CD2 4.41Å; Y63-L200 HydrophobicContact CD2-CD2 3.8Å; Y63-L200 HydrophobicContact CE1-CD2 4.07Å; Y63-L200 HydrophobicContact CE2-CD2 3.39Å; Y63-L200 HydrophobicContact CG-CD2 4.28Å; M171-L200 WeakPolarHBondContact O-CD1 3.39Å; N172-L200 PolarHBondContact O-N 3.32Å; P173-L200 HydrophobicContact CB-CB 4.48Å; P173-L200 HydrophobicContact CB-CD2 4.29Å; L200-R202 PolarHBondContact O-N 3.23Å
201	D	97.4	Very high	96.1	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.021	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	24.8	175.5	-152.2	24.5	0	0	0	114.9	G55 F56 V57 G58 A62 Y169 Y170 L199	G55-D201 VanDerWaalsContact C-CG 3.45Å; G55-D201 WeakPolarHBondContact CA-OD2 3.32Å; G55-D201 PolarHBondContact N-O 2.92Å; F56-D201 PolarHBondContact N-O 3.04Å; F56-D201 VanDerWaalsContact N-O 3.14Å; F56-D201 PolarHBondContact N-OD1 3.44Å; F56-D201 PolarHBondContact N-OD2 2.99Å; V57-D201 WeakPolarHBondContact CG2-OD1 3.21Å; V57-D201 PolarHBondContact N-OD1 2.97Å; G58-D201 WeakPolarHBondContact CA-OD2 3.03Å; G58-D201 PolarHBondContact N-OD2 2.96Å; A62-D201 HydrophobicContact CB-CB 3.67Å; Y169-D201 VanDerWaalsContact CE2-OD1 3.28Å; Y169-D201 WeakPolarHBondContact CE2-OD1 3.44Å; Y169-D201 WeakPolarHBondContact OH-CA 3.23Å; Y169-D201 PolarHBondContact OH-OD1 3.41Å; Y170-D201 PolarHBondContact O-N 3.4Å; L199-D201 PolarHBondContact O-N 2.89Å
202	R	98	Very high	96.4	Very high	10 Å²	10	26.3 Å²	26.3	4%	0.038	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126	171.6	175	169	-73.3	165.3	0.8	111	H2 I52 V53 D54 Y169 Y170 L197 L199 L200	H2-R202 PolarHBondContact CE1-NH2 3.27Å; H2-R202 PolarHBondContact ND1-NH2 2.78Å; H2-R202 VanDerWaalsContact ND1-NH2 3.17Å; I52-R202 HydrophobicContact CG2-CG 3.92Å; V53-R202 CarbonylContact O-C 3.52Å; V53-R202 WeakPolarHBondContact O-CA 3.45Å; D54-R202 VanDerWaalsContact CG-NH2 3.29Å; D54-R202 IonicContact OD1-CZ 3.66Å; D54-R202 IonicContact OD1-NE 2.82Å; D54-R202 PolarHBondContact OD1-NE 2.86Å; D54-R202 IonicContact OD1-NH2 3.83Å; D54-R202 PolarHBondContact OD1-NH2 3.36Å; D54-R202 IonicContact OD2-CZ 2.74Å; D54-R202 IonicContact OD2-NH2 2.68Å; D54-R202 PolarHBondContact OD2-NH2 2.63Å; Y169-R202 CarbonylContact C-O 3.41Å; Y169-R202 WeakPolarHBondContact CA-O 3.28Å; Y170-R202 HydrophobicContact CD2-CB 4.43Å; Y170-R202 HydrophobicContact CD2-CG 4.31Å; Y170-R202 PolarHBondContact N-O 3.36Å; L197-R202 WeakPolarHBondContact O-CD 3.3Å; L197-R202 PolarHBondContact O-NH1 3.41Å; L197-R202 VanDerWaalsContact O-NH1 3.12Å; L199-R202 HydrophobicContact CB-CB 4.38Å; L199-R202 WeakPolarHBondContact O-CB 3.39Å; L199-R202 PolarHBondContact O-N 3.41Å; L200-R202 PolarHBondContact O-N 3.23Å
203	M	97.9	Very high	96.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	138.7	169.7	176	69.2	109.7	0	0	110.6	I52 V53 F56 F118 C167 V168 Y169 F205	I52-M203 WeakPolarHBondContact CA-O 3.43Å; V53-M203 HydrophobicContact CB-CB 4.32Å; V53-M203 PolarHBondContact N-O 3.03Å; V53-M203 PolarHBondContact O-N 3.02Å; F56-M203 HydrophobicContact CB-CB 3.87Å; F56-M203 HydrophobicContact CD1-CB 4.33Å; F56-M203 HydrophobicContact CD1-CE 4.1Å; F56-M203 HydrophobicContact CD2-CB 3.93Å; F56-M203 HydrophobicContact CD2-CE 4.44Å; F56-M203 HydrophobicContact CD2-CG 4.15Å; F56-M203 HydrophobicContact CE1-CE 3.62Å; F56-M203 HydrophobicContact CE2-CE 3.97Å; F56-M203 HydrophobicContact CE2-CG 4.37Å; F56-M203 HydrophobicContact CG-CB 3.78Å; F56-M203 HydrophobicContact CG-CG 4.33Å; F56-M203 HydrophobicContact CZ-CE 3.55Å; F118-M203 HydrophobicContact CD1-CE 3.58Å; F118-M203 HydrophobicContact CD2-CE 3.43Å; F118-M203 VanDerWaalsContact CD2-CE 3.43Å; F118-M203 HydrophobicContact CE1-CE 3.41Å; F118-M203 VanDerWaalsContact CE1-CE 3.41Å; F118-M203 HydrophobicContact CE1-SD 3.96Å; F118-M203 HydrophobicContact CE2-CE 3.24Å; F118-M203 HydrophobicContact CE2-SD 4.14Å; F118-M203 HydrophobicContact CG-CE 3.63Å; F118-M203 HydrophobicContact CZ-CE 3.26Å; F118-M203 HydrophobicContact CZ-SD 3.7Å; C167-M203 HydrophobicContact CB-CE 4.26Å; C167-M203 HydrophobicContact CB-SD 4.1Å; V168-M203 CarbonylContact O-C 3.6Å; V168-M203 WeakPolarHBondContact O-CA 3.42Å; Y169-M203 HydrophobicContact CD2-CB 4.28Å; M203-F205 HydrophobicContact CB-CE2 4.28Å; M203-F205 HydrophobicContact CE-CE1 4.15Å; M203-F205 HydrophobicContact CE-CZ 4.01Å; M203-F205 HydrophobicContact CG-CD2 4.02Å; M203-F205 HydrophobicContact CG-CE1 4.11Å; M203-F205 HydrophobicContact CG-CE2 3.31Å; M203-F205 HydrophobicContact CG-CZ 3.36Å; M203-F205 HydrophobicContact SD-CE1 4.48Å; M203-F205 HydrophobicContact SD-CZ 4.25Å
204	T	98.3	Very high	96.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	135.7	172.5	-51.4	0	0	0	0	110.3	A51 I52 C167 V168 L183 V196 F206	A51-T204 CarbonylContact O-C 3.59Å; A51-T204 VanDerWaalsContact O-CA 3.31Å; A51-T204 WeakPolarHBondContact O-CA 3.49Å; A51-T204 WeakPolarHBondContact O-CG2 3.26Å; I52-T204 HydrophobicContact CG1-CG2 4.14Å; C167-T204 CarbonylContact C-O 3.6Å; C167-T204 WeakPolarHBondContact CA-O 3.42Å; V168-T204 PolarHBondContact N-O 3.21Å; V168-T204 PolarHBondContact O-N 3.21Å; L183-T204 HydrophobicContact CD2-CG2 4.28Å; V196-T204 WeakPolarHBondContact CG1-OG1 3.29Å; V196-T204 HydrophobicContact CG2-CG2 4.43Å; T204-F206 HydrophobicContact CG2-CD1 4.19Å
205	F	98.2	Very high	96.6	Very high	1 Å²	1	18.3 Å²	18.3	0%	0.004	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	138.3	173.5	-51.5	-98.5	0	0	0	108.5	I37 A41 L45 W50 A51 V53 F56 V121 I122 I125 I165 T166 C167 M203	I37-F205 HydrophobicContact CG2-CE2 4.24Å; I37-F205 HydrophobicContact CG2-CZ 4.09Å; A41-F205 HydrophobicContact CB-CD2 4.2Å; A41-F205 HydrophobicContact CB-CE2 4.43Å; A41-F205 HydrophobicContact CB-CG 4.36Å; L45-F205 HydrophobicContact CD2-CB 4.38Å; W50-F205 CarbonylContact C-O 3.49Å; W50-F205 WeakPolarHBondContact CA-O 3.32Å; W50-F205 WeakPolarHBondContact CB-O 3.48Å; A51-F205 HydrophobicContact CB-CB 4.26Å; A51-F205 HydrophobicContact CB-CD2 4.17Å; A51-F205 PolarHBondContact N-O 3.11Å; A51-F205 PolarHBondContact O-N 2.87Å; V53-F205 HydrophobicContact CB-CE2 4.43Å; V53-F205 HydrophobicContact CG2-CE2 3.96Å; F56-F205 HydrophobicContact CE2-CZ 4.36Å; V121-F205 HydrophobicContact CG1-CE1 4.19Å; V121-F205 HydrophobicContact CG1-CZ 4.08Å; I122-F205 HydrophobicContact CD1-CD1 4.29Å; I122-F205 HydrophobicContact CD1-CE1 4.29Å; I125-F205 HydrophobicContact CD1-CD1 4.36Å; I125-F205 HydrophobicContact CD1-CE1 4.26Å; I165-F205 HydrophobicContact CG2-CB 4.39Å; I165-F205 HydrophobicContact CG2-CD1 4.48Å; T166-F205 WeakPolarHBondContact O-CA 3.34Å; C167-F205 VanDerWaalsContact SG-CD1 3.5Å; M203-F205 HydrophobicContact CB-CE2 4.28Å; M203-F205 HydrophobicContact CE-CE1 4.15Å; M203-F205 HydrophobicContact CE-CZ 4.01Å; M203-F205 HydrophobicContact CG-CD2 4.02Å; M203-F205 HydrophobicContact CG-CE1 4.11Å; M203-F205 HydrophobicContact CG-CE2 3.31Å; M203-F205 HydrophobicContact CG-CZ 3.36Å; M203-F205 HydrophobicContact SD-CE1 4.48Å; M203-F205 HydrophobicContact SD-CZ 4.25Å
206	F	97.5	Very high	96.5	Very high	1 Å²	1	17.3 Å²	17.3	0%	0.004	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	157.5	170.1	56.7	-91.4	0	0	0	111.3	G49 W50 T166 V168 L183 L185 T204 S208 N212 H214	G49-F206 WeakPolarHBondContact O-CA 3.21Å; W50-F206 HydrophobicContact CB-CB 3.85Å; T166-F206 VanDerWaalsContact CB-CE2 3.46Å; T166-F206 VanDerWaalsContact CB-CZ 3.49Å; T166-F206 HydrophobicContact CG2-CE1 3.91Å; T166-F206 HydrophobicContact CG2-CE2 3.92Å; T166-F206 HydrophobicContact CG2-CZ 3.43Å; T166-F206 VanDerWaalsContact CG2-CZ 3.43Å; T166-F206 PolarHBondContact N-O 2.8Å; T166-F206 PolarHBondContact O-N 2.96Å; V168-F206 HydrophobicContact CG2-CE1 3.9Å; V168-F206 HydrophobicContact CG2-CZ 4.46Å; L183-F206 HydrophobicContact CD2-CE1 4.18Å; L185-F206 HydrophobicContact CD2-CD1 4.07Å; L185-F206 HydrophobicContact CD2-CE1 4.26Å; L185-F206 HydrophobicContact CD2-CG 4.21Å; T204-F206 HydrophobicContact CG2-CD1 4.19Å; F206-S208 PolarHBondContact O-N 3.49Å; F206-N212 HydrophobicContact CB-CB 4.31Å; F206-N212 HydrophobicContact CD2-CB 3.98Å; F206-N212 HydrophobicContact CG-CB 4.49Å; F206-H214 AromaticContact CE2-CE1 3.42Å; F206-H214 VanDerWaalsContact CE2-CE1 3.42Å; F206-H214 WeakPolarHBondContact CE2-CE1 3.25Å; F206-H214 AromaticContact CE2-ND1 3.56Å; F206-H214 AromaticContact CZ-CE1 3.63Å; F206-H214 AromaticContact CZ-ND1 3.91Å; F206-H214 AromaticContact CZ-NE2 3.75Å
207	W	95.5	Very high	96.5	Very high	5 Å²	5	18.6 Å²	18.6	2%	0.019	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	126.8	173	-57.3	121.7	0	0	0	110.5	L45 G49 L129 L164 I165 D209 R211 N212	L45-W207 HydrophobicContact CB-CH2 4.12Å; L45-W207 HydrophobicContact CB-CZ2 3.58Å; L45-W207 HydrophobicContact CD1-CH2 4.44Å; L45-W207 HydrophobicContact CD2-CD2 4.19Å; L45-W207 HydrophobicContact CD2-CG 4.48Å; L45-W207 PolarHBondContact O-NE1 3.48Å; G49-W207 VanDerWaalsContact CA-CD1 3.47Å; G49-W207 PolarHBondContact O-N 2.87Å; L129-W207 HydrophobicContact CD2-CH2 4.18Å; L164-W207 HydrophobicContact CD1-CE3 3.76Å; L164-W207 HydrophobicContact CD1-CZ3 3.73Å; L164-W207 HydrophobicContact CD2-CZ3 4.4Å; L164-W207 HydrophobicContact CG-CE3 4.17Å; L164-W207 HydrophobicContact CG-CZ3 3.94Å; L164-W207 WeakPolarHBondContact O-CA 3.46Å; I165-W207 HydrophobicContact CD1-CZ3 4.31Å; I165-W207 HydrophobicContact CG1-CE3 4.21Å; I165-W207 HydrophobicContact CG1-CZ3 4.03Å; W207-D209 PolarHBondContact O-N 3.41Å; W207-R211 HydrophobicContact CB-CB 4.28Å; W207-R211 VanDerWaalsContact CD1-CZ 3.44Å; W207-R211 VanDerWaalsContact CD1-NH1 3.35Å; W207-R211 VanDerWaalsContact CD2-CZ 3.46Å; W207-R211 VanDerWaalsContact CD2-NH2 3.31Å; W207-R211 VanDerWaalsContact CG-NH2 3.33Å; W207-N212 WeakPolarHBondContact CB-ND2 3.21Å; W207-N212 PolarHBondContact N-ND2 2.85Å; W207-N212 PolarHBondContact O-ND2 2.81Å
208	S	95.3	Very high	96.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-70.2	-15.9	-176.1	-55.2	0	0	0	0	113.9	V155 D156 N157 L164 I165 T166 F206	V155-S208 WeakPolarHBondContact CG1-O 3.31Å; D156-S208 WeakPolarHBondContact CB-O 3.45Å; D156-S208 PolarHBondContact N-O 2.77Å; N157-S208 WeakPolarHBondContact CB-O 3.43Å; N157-S208 PolarHBondContact N-O 3.02Å; L164-S208 PolarHBondContact O-N 3.36Å; L164-S208 PolarHBondContact O-OG 2.89Å; I165-S208 PolarHBondContact N-OG 3.17Å; T166-S208 PolarHBondContact N-OG 2.79Å; T166-S208 WeakPolarHBondContact OG1-CB 3.34Å; T166-S208 PolarHBondContact OG1-OG 3.05Å; F206-S208 PolarHBondContact O-N 3.49Å
209	D	92.6	Very high	96.1	Very high	37 Å²	37	19 Å²	19	20%	0.198	10%	0.103	C	C	.	.	S	Bend	trans	-85.4	-167.7	-176.6	62.5	27.6	0	0	0	112.9	V155 W207 R211 N212	V155-D209 VanDerWaalsContact CG1-C 3.41Å; V155-D209 WeakPolarHBondContact CG1-O 3.29Å; W207-D209 PolarHBondContact O-N 3.41Å; D209-R211 PolarHBondContact O-N 2.71Å; D209-R211 VanDerWaalsContact OD1-CB 3.29Å; D209-R211 WeakPolarHBondContact OD1-CB 3.35Å; D209-R211 WeakPolarHBondContact OD1-CG 3.47Å; D209-R211 IonicContact OD1-CZ 3.83Å; D209-R211 PolarHBondContact OD1-N 2.87Å; D209-R211 VanDerWaalsContact OD1-N 3.11Å; D209-R211 IonicContact OD1-NE 2.74Å; D209-R211 PolarHBondContact OD1-NE 3.23Å; D209-R211 IonicContact OD1-NH2 3.25Å; D209-R211 IonicContact OD2-CZ 3.6Å; D209-R211 IonicContact OD2-NE 2.73Å; D209-R211 PolarHBondContact OD2-NE 3.49Å; D209-R211 VanDerWaalsContact OD2-NE 3.14Å; D209-R211 IonicContact OD2-NH2 2.66Å; D209-R211 PolarHBondContact OD2-NH2 2.96Å; D209-N212 PolarHBondContact O-N 2.97Å; D209-N212 VanDerWaalsContact O-N 3.17Å
210	C	93	Very high	95.8	Very high	46 Å²	46	21.9 Å²	21.9	31%	0.311	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-5.8	-176	59.2	0	0	0	0	115.4	Q188 N212 P213 C252	Q188-C210 VanDerWaalsContact CD-O 3.25Å; Q188-C210 PolarHBondContact NE2-O 3.41Å; C210-N212 PolarHBondContact O-N 3.44Å; C210-P213 WeakPolarHBondContact O-CD 3.43Å; C210-C252 HydrophobicContact CB-CB 4Å; C210-C252 WeakPolarHBondContact CB-SG 3.2Å
211	R	94.2	Very high	95.1	Very high	76 Å²	76	21.9 Å²	21.9	29%	0.287	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-24	173.1	-68.8	176	-73.6	172.6	-2.2	112.6	P187 Q188 W207 D209	P187-R211 CarbonylContact C-O 3.59Å; P187-R211 VanDerWaalsContact CA-O 3.28Å; P187-R211 WeakPolarHBondContact CA-O 3.14Å; Q188-R211 PolarHBondContact N-O 3.01Å; W207-R211 HydrophobicContact CB-CB 4.28Å; W207-R211 VanDerWaalsContact CD1-CZ 3.44Å; W207-R211 VanDerWaalsContact CD1-NH1 3.35Å; W207-R211 VanDerWaalsContact CD2-CZ 3.46Å; W207-R211 VanDerWaalsContact CD2-NH2 3.31Å; W207-R211 VanDerWaalsContact CG-NH2 3.33Å; D209-R211 PolarHBondContact O-N 2.71Å; D209-R211 VanDerWaalsContact OD1-CB 3.29Å; D209-R211 WeakPolarHBondContact OD1-CB 3.35Å; D209-R211 WeakPolarHBondContact OD1-CG 3.47Å; D209-R211 IonicContact OD1-CZ 3.83Å; D209-R211 PolarHBondContact OD1-N 2.87Å; D209-R211 VanDerWaalsContact OD1-N 3.11Å; D209-R211 IonicContact OD1-NE 2.74Å; D209-R211 PolarHBondContact OD1-NE 3.23Å; D209-R211 IonicContact OD1-NH2 3.25Å; D209-R211 IonicContact OD2-CZ 3.6Å; D209-R211 IonicContact OD2-NE 2.73Å; D209-R211 PolarHBondContact OD2-NE 3.49Å; D209-R211 VanDerWaalsContact OD2-NE 3.14Å; D209-R211 IonicContact OD2-NH2 2.66Å; D209-R211 PolarHBondContact OD2-NH2 2.96Å
212	N	95.3	Very high	94.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.154	C	C	.	.			trans	-137.7	70.6	-180	-61.2	-77.9	0	0	0	113.7	G49 P187 F206 W207 D209 C210 H214	G49-N212 PolarHBondContact O-ND2 3.33Å; P187-N212 WeakPolarHBondContact CB-OD1 3.4Å; F206-N212 HydrophobicContact CB-CB 4.31Å; F206-N212 HydrophobicContact CD2-CB 3.98Å; F206-N212 HydrophobicContact CG-CB 4.49Å; W207-N212 WeakPolarHBondContact CB-ND2 3.21Å; W207-N212 PolarHBondContact N-ND2 2.85Å; W207-N212 PolarHBondContact O-ND2 2.81Å; D209-N212 PolarHBondContact O-N 2.97Å; D209-N212 VanDerWaalsContact O-N 3.17Å; C210-N212 PolarHBondContact O-N 3.44Å; N212-H214 PolarHBondContact O-N 3.24Å; N212-H214 PolarHBondContact O-ND1 3.24Å
213	P	96.9	Very high	93.3	Very high	13 Å²	13	37.1 Å²	37.1	8%	0.084	18%	0.182	C	C	.	.			trans	-54.3	140.6	160.5	-18.9	31.1	0	0	0	109.8	R153 H154 V155 Y186 C210 F251	R153-P213 HydrophobicContact CG-CB 4.3Å; H154-P213 CarbonylContact O-C 3.51Å; H154-P213 VanDerWaalsContact O-CA 3.24Å; H154-P213 WeakPolarHBondContact O-CA 3.47Å; V155-P213 HydrophobicContact CG2-CB 4.14Å; V155-P213 HydrophobicContact CG2-CG 4.03Å; Y186-P213 WeakPolarHBondContact CB-O 3.37Å; Y186-P213 WeakPolarHBondContact CD2-O 2.97Å; Y186-P213 PolarHBondContact N-O 3.05Å; Y186-P213 WeakPolarHBondContact O-CD 3.28Å; C210-P213 WeakPolarHBondContact O-CD 3.43Å; P213-F251 HydrophobicContact CB-CD1 4.25Å; P213-F251 HydrophobicContact CB-CE1 4.28Å
214	H	97.2	Very high	92.5	Very high	10 Å²	10	42.5 Å²	42.5	5%	0.046	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	157.5	-174.6	62.4	-85	0	0	0	113.1	R153 H154 D156 L183 R184 L185 F206 N212	R153-H214 CarbonylContact C-O 3.6Å; R153-H214 WeakPolarHBondContact CA-O 3.5Å; H154-H214 AromaticContact CE1-CD2 3.63Å; H154-H214 AromaticContact CE1-CE1 3.98Å; H154-H214 AromaticContact CE1-NE2 3.23Å; H154-H214 PolarHBondContact CE1-NE2 2.9Å; H154-H214 PolarHBondContact N-O 2.98Å; H154-H214 PolarHBondContact ND1-O 3.01Å; H154-H214 AromaticContact NE2-CE1 3.72Å; H154-H214 AromaticContact NE2-NE2 3.24Å; H154-H214 PolarHBondContact NE2-NE2 3.37Å; H154-H214 PolarHBondContact O-N 2.83Å; D156-H214 IonicContact OD2-CE1 3.14Å; D156-H214 PolarHBondContact OD2-CE1 3.32Å; D156-H214 IonicContact OD2-NE2 3.33Å; L183-H214 HydrophobicContact CD1-CB 3.99Å; R184-H214 CarbonylContact O-C 3.58Å; R184-H214 WeakPolarHBondContact O-CA 3.29Å; R184-H214 WeakPolarHBondContact O-CB 3.34Å; L185-H214 HydrophobicContact CD2-CB 3.55Å; F206-H214 AromaticContact CE2-CE1 3.42Å; F206-H214 VanDerWaalsContact CE2-CE1 3.42Å; F206-H214 WeakPolarHBondContact CE2-CE1 3.25Å; F206-H214 AromaticContact CE2-ND1 3.56Å; F206-H214 AromaticContact CZ-CE1 3.63Å; F206-H214 AromaticContact CZ-ND1 3.91Å; F206-H214 AromaticContact CZ-NE2 3.75Å; N212-H214 PolarHBondContact O-N 3.24Å; N212-H214 PolarHBondContact O-ND1 3.24Å
215	E	96.5	Very high	92	Very high	40 Å²	40	42.6 Å²	42.6	19%	0.187	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	162.6	178.9	72	-174.9	-165	0	0	110.9	Y151 R153 L183 R184 Y186	Y151-E215 WeakPolarHBondContact O-CA 3.39Å; Y151-E215 VanDerWaalsContact O-CB 3.3Å; Y151-E215 WeakPolarHBondContact O-CB 3.19Å; R153-E215 HydrophobicContact CB-CB 4.01Å; R153-E215 IonicContact NE-OE2 3.91Å; L183-E215 CarbonylContact C-O 3.5Å; L183-E215 WeakPolarHBondContact CA-O 3.21Å; R184-E215 HydrophobicContact CB-CG 3.91Å; R184-E215 HydrophobicContact CG-CG 4.5Å; R184-E215 PolarHBondContact N-O 3.22Å; R184-E215 PolarHBondContact O-N 2.77Å; Y186-E215 HydrophobicContact CE2-CG 3.97Å; Y186-E215 PolarHBondContact OH-OE1 2.98Å; Y186-E215 PolarHBondContact OH-OE2 3.11Å
216	V	96.5	Very high	91.8	Very high	10 Å²	10	42.9 Å²	42.9	6%	0.061	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	116.9	166.2	-178.1	0	0	0	0	107.4	Y145 R150 Y151 I182	Y145-V216 HydrophobicContact CD1-CG1 4.1Å; Y145-V216 HydrophobicContact CE1-CB 4.01Å; Y145-V216 HydrophobicContact CE1-CG1 3.81Å; Y145-V216 HydrophobicContact CE1-CG2 4.39Å; R150-V216 WeakPolarHBondContact CA-O 3.36Å; R150-V216 WeakPolarHBondContact CB-O 3.33Å; Y151-V216 PolarHBondContact N-O 3.46Å; Y151-V216 PolarHBondContact O-N 3.46Å; I182-V216 WeakPolarHBondContact O-CA 3.5Å
217	T	95.8	Very high	91.8	Very high	28 Å²	28	42.9 Å²	42.9	17%	0.172	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-64.8	158.1	179.3	67.6	0	0	0	0	111	G181 I182 T219	G181-T217 VanDerWaalsContact CA-O 3.31Å; G181-T217 WeakPolarHBondContact CA-O 3.25Å; G181-T217 PolarHBondContact N-O 2.91Å; G181-T217 PolarHBondContact N-OG1 3.48Å; I182-T217 HydrophobicContact CB-CG2 4.3Å; I182-T217 WeakPolarHBondContact CB-OG1 3.23Å; I182-T217 PolarHBondContact N-OG1 3.24Å; I182-T217 PolarHBondContact O-N 3.14Å; T217-T219 PolarHBondContact O-N 3.48Å
218	A	94	Very high	91.8	Very high	40 Å²	40	42.6 Å²	42.6	33%	0.331	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-57.4	137.5	179.1	0	0	0	0	0	111.5	A149 R150 G180 G181	A149-A218 WeakPolarHBondContact O-CA 3.21Å; R150-A218 HydrophobicContact CB-CB 4.36Å; G180-A218 WeakPolarHBondContact CA-O 3.4Å; G181-A218 PolarHBondContact N-O 3.38Å; G181-A218 VanDerWaalsContact N-O 3.09Å
219	T	92.8	Very high	91.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-83.9	129.6	175.2	-59.8	0	0	0	0	109.9	I147 S148 A149 W175 G181 T217 R221	I147-T219 CarbonylContact C-O 3.6Å; I147-T219 WeakPolarHBondContact CA-O 3.45Å; S148-T219 PolarHBondContact N-O 3.26Å; A149-T219 PolarHBondContact O-N 3.44Å; W175-T219 HydrophobicContact CH2-CG2 3.93Å; W175-T219 HydrophobicContact CZ2-CG2 3.84Å; G181-T219 WeakPolarHBondContact CA-OG1 3.25Å; T217-T219 PolarHBondContact O-N 3.48Å; T219-R221 HydrophobicContact CG2-CB 4.26Å
220	N	90.8	Very high	92	Very high	108 Å²	108	42 Å²	42	58%	0.578	20%	0.199	S	C	*	.			trans	-104.7	0.4	177.6	-61.8	-34	0	0	0	112.8	E178 D179	E178-N220 PolarHBondContact O-ND2 3.02Å; D179-N220 PolarHBondContact O-N 2.96Å
221	R	84.6	Confident	92	Very high	30 Å²	30	39.9 Å²	39.9	11%	0.113	19%	0.185	C	C	.	.			trans	-99.1	138.5	-176.6	-169.2	177.1	171.8	135.6	-16.5	111.5	P173 N174 W175 D179 T219 R223	P173-R221 PolarHBondContact O-NH2 3.24Å; N174-R221 PolarHBondContact O-NH1 3.2Å; N174-R221 PolarHBondContact O-NH2 2.96Å; W175-R221 HydrophobicContact CH2-CB 3.95Å; W175-R221 HydrophobicContact CH2-CG 4.35Å; W175-R221 HydrophobicContact CZ2-CB 4.18Å; W175-R221 VanDerWaalsContact CZ3-CD 3.47Å; W175-R221 HydrophobicContact CZ3-CG 4.43Å; D179-R221 HydrophobicContact CB-CB 3.89Å; D179-R221 HydrophobicContact CB-CG 4.48Å; D179-R221 IonicContact OD1-NH1 3.74Å; D179-R221 IonicContact OD2-CZ 2.69Å; D179-R221 IonicContact OD2-NH1 2.94Å; D179-R221 PolarHBondContact OD2-NH1 2.99Å; T219-R221 HydrophobicContact CG2-CB 4.26Å; R221-R223 HydrophobicContact CG-CB 4.2Å
222	E	76.6	Confident	91.9	Very high	173 Å²	173	36.5 Å²	36.5	81%	0.808	17%	0.172	S	C	*	.	S	Bend	trans	-66.9	-37.7	177.2	-172.1	177.9	-166.6	0	0	112.2	R224	E222-R224 PolarHBondContact O-N 2.89Å
223	R	80	Confident	91.6	Very high	162 Å²	162	36.7 Å²	36.7	61%	0.611	17%	0.174	S	C	*	.	S	Bend	trans	-67	125.3	168	-63	-172.3	-167	116.2	2.7	109	W175 R221	W175-R223 VanDerWaalsContact CH2-O 3.31Å; W175-R223 WeakPolarHBondContact CH2-O 3.49Å; W175-R223 WeakPolarHBondContact CZ3-O 3.47Å; R221-R223 HydrophobicContact CG-CB 4.2Å
224	R	81.3	Confident	91	Very high	113 Å²	113	40.4 Å²	40.4	43%	0.426	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-62.2	138.4	-179.8	-61.4	173.7	176.8	80	-3	111.3	Y73 Y145 P146 E222	Y73-R224 VanDerWaalsContact CE1-NE 3.31Å; Y73-R224 PolarHBondContact OH-NE 3.29Å; Y73-R224 PolarHBondContact OH-NH2 3.14Å; Y145-R224 VanDerWaalsContact O-CA 3.31Å; Y145-R224 WeakPolarHBondContact O-CA 3.49Å; P146-R224 HydrophobicContact CB-CG 4.48Å; E222-R224 PolarHBondContact O-N 2.89Å
225	N	88.7	Confident	89.8	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	117.8	166.6	169	4.1	0	0	0	108.6	C144 Y145 N172 W175 G181	C144-N225 CarbonylContact C-O 3.46Å; C144-N225 WeakPolarHBondContact CA-O 3.33Å; Y145-N225 PolarHBondContact N-O 2Å; Y145-N225 PolarHBondContact O-N 3.02Å; N172-N225 PolarHBondContact ND2-OD1 3.28Å; N172-N225 WeakPolarHBondContact OD1-CA 3.41Å; W175-N225 HydrophobicContact CH2-CB 3.48Å; W175-N225 VanDerWaalsContact CH2-CB 3.48Å; W175-N225 HydrophobicContact CZ2-CB 3.78Å; W175-N225 HydrophobicContact CZ3-CB 4.08Å; G181-N225 PolarHBondContact O-ND2 3.32Å; G181-N225 VanDerWaalsContact O-ND2 3.08Å
226	V	93.6	Very high	88.1	Confident	7 Å²	7	46 Å²	46	4%	0.042	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127.3	-180	-169	0	0	0	0	109.2	L66 A69 S143 M171 N172	L66-V226 HydrophobicContact CD1-CB 4.29Å; L66-V226 HydrophobicContact CD1-CG2 4.23Å; A69-V226 HydrophobicContact CB-CG1 3.87Å; S143-V226 WeakPolarHBondContact O-CA 3.28Å; M171-V226 HydrophobicContact CB-CB 4.47Å; M171-V226 HydrophobicContact CE-CG1 3.77Å; M171-V226 PolarHBondContact N-O 3.39Å; M171-V226 HydrophobicContact SD-CG1 4.23Å; N172-V226 PolarHBondContact ND2-O 2.79Å; N172-V226 PolarHBondContact OD1-N 3.15Å
227	V	96	Very high	85.9	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	147.8	-175.7	68.4	0	0	0	0	110.9	L142 S143 Y145 V168 Y169 Y170 M171 H229	L142-V227 CarbonylContact C-O 3.5Å; L142-V227 WeakPolarHBondContact CA-O 3.42Å; S143-V227 PolarHBondContact N-O 3.15Å; S143-V227 PolarHBondContact O-N 2.84Å; Y145-V227 HydrophobicContact CD2-CG1 4.42Å; Y145-V227 HydrophobicContact CE2-CG1 3.93Å; V168-V227 HydrophobicContact CG1-CG2 3.4Å; Y169-V227 CarbonylContact O-C 3.56Å; Y169-V227 WeakPolarHBondContact O-CA 3.33Å; Y169-V227 VanDerWaalsContact O-CG2 3.23Å; Y169-V227 WeakPolarHBondContact O-CG2 3.17Å; Y170-V227 HydrophobicContact CD1-CB 3.81Å; Y170-V227 HydrophobicContact CD1-CG2 3.43Å; Y170-V227 VanDerWaalsContact CD1-CG2 3.43Å; Y170-V227 HydrophobicContact CE1-CB 3.89Å; Y170-V227 HydrophobicContact CE1-CG2 3.38Å; Y170-V227 HydrophobicContact CG-CG2 4.16Å; M171-V227 VanDerWaalsContact CE-C 3.46Å; V227-H229 WeakPolarHBondContact CG1-NE2 3.46Å; V227-H229 VanDerWaalsContact CG2-NE2 3.34Å; V227-H229 WeakPolarHBondContact CG2-NE2 3.33Å
228	C	97.2	Very high	83.3	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124.1	173.7	-179.9	0	0	0	0	109.8	M141 L142 V168 Y169 M171	M141-C228 CarbonylContact O-C 3.56Å; M141-C228 WeakPolarHBondContact O-CA 3.28Å; L142-C228 HydrophobicContact CD2-CB 3.68Å; V168-C228 WeakPolarHBondContact CA-O 3.33Å; Y169-C228 PolarHBondContact N-O 3.38Å; Y169-C228 PolarHBondContact O-N 3.43Å; M171-C228 HydrophobicContact CE-CB 3.92Å
229	H	96	Very high	80.8	Confident	24 Å²	24	60.3 Å²	60.3	11%	0.111	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	139	178.6	-59.5	170.1	0	0	0	111.7	M141 C167 V227	M141-H229 HydrophobicContact CB-CB 4.29Å; M141-H229 HydrophobicContact CE-CB 3.88Å; M141-H229 WeakPolarHBondContact CE-ND1 3.46Å; M141-H229 PolarHBondContact N-O 3.41Å; M141-H229 PolarHBondContact O-N 3.34Å; C167-H229 WeakPolarHBondContact O-CA 3.38Å; V227-H229 WeakPolarHBondContact CG1-NE2 3.46Å; V227-H229 VanDerWaalsContact CG2-NE2 3.34Å; V227-H229 WeakPolarHBondContact CG2-NE2 3.33Å
230	L	94.5	Very high	78.1	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	138.8	173.1	-86.7	167.1	0	0	0	110.6	L115 F118 K137 S138 A140 C167 F232	L115-L230 HydrophobicContact CD2-CD1 3.82Å; F118-L230 HydrophobicContact CB-CD1 4Å; F118-L230 HydrophobicContact CD1-CB 3.91Å; F118-L230 HydrophobicContact CD1-CD1 3.25Å; F118-L230 HydrophobicContact CD1-CG 4.15Å; F118-L230 HydrophobicContact CE1-CB 3.91Å; F118-L230 HydrophobicContact CE1-CD1 3.69Å; F118-L230 HydrophobicContact CE1-CG 4.23Å; F118-L230 HydrophobicContact CG-CD1 3.75Å; K137-L230 HydrophobicContact CD-CD1 4.2Å; K137-L230 HydrophobicContact CD-CD2 3.78Å; K137-L230 HydrophobicContact CG-CD2 3.74Å; S138-L230 WeakPolarHBondContact O-CD2 3.3Å; A140-L230 HydrophobicContact CB-CD1 4.41Å; A140-L230 HydrophobicContact CB-CD2 3.95Å; A140-L230 HydrophobicContact CB-CG 4.04Å; C167-L230 PolarHBondContact N-O 2.98Å; C167-L230 PolarHBondContact O-N 2.94Å; L230-F232 HydrophobicContact CB-CE2 3.82Å; L230-F232 HydrophobicContact CB-CZ 4.35Å; L230-F232 HydrophobicContact CD1-CZ 4.45Å
231	N	92.8	Very high	75.7	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.005	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	136.5	173	-76.7	-88.1	0	0	0	110.3	K137 S138 R163 T166 F244	K137-N231 CarbonylContact C-O 3.56Å; K137-N231 WeakPolarHBondContact CA-O 3.17Å; S138-N231 PolarHBondContact N-O 3.1Å; S138-N231 PolarHBondContact OG-N 2.9Å; R163-N231 VanDerWaalsContact CD-CB 3.48Å; R163-N231 WeakPolarHBondContact CD-OD1 3.48Å; R163-N231 HydrophobicContact CG-CB 3.95Å; T166-N231 PolarHBondContact OG1-OD1 3.34Å; T166-N231 VanDerWaalsContact OG1-OD1 3.1Å; N231-F244 WeakPolarHBondContact ND2-CE2 3.4Å; N231-F244 WeakPolarHBondContact ND2-CZ 3.44Å
232	F	92.2	Very high	73.5	Confident	5 Å²	5	66.9 Å²	66.9	2%	0.022	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.3	179.2	-67.8	-89.4	0	0	0	110	F118 I122 I134 R136 K137 L164 I165 C167 L230	F118-F232 HydrophobicContact CB-CZ 4.33Å; F118-F232 HydrophobicContact CD1-CE2 4.25Å; F118-F232 HydrophobicContact CD1-CZ 4.4Å; I122-F232 HydrophobicContact CB-CD1 4.1Å; I122-F232 HydrophobicContact CB-CE1 3.81Å; I122-F232 HydrophobicContact CB-CE2 4.42Å; I122-F232 HydrophobicContact CB-CG 4.45Å; I122-F232 HydrophobicContact CB-CZ 4Å; I122-F232 HydrophobicContact CD1-CD2 3.99Å; I122-F232 HydrophobicContact CD1-CE2 4.12Å; I122-F232 HydrophobicContact CD1-CG 4.36Å; I122-F232 HydrophobicContact CG1-CD1 4.31Å; I122-F232 HydrophobicContact CG1-CD2 3.95Å; I122-F232 HydrophobicContact CG1-CE1 3.97Å; I122-F232 HydrophobicContact CG1-CE2 3.65Å; I122-F232 HydrophobicContact CG1-CG 4.27Å; I122-F232 HydrophobicContact CG1-CZ 3.64Å; I122-F232 HydrophobicContact CG2-CB 4.22Å; I122-F232 HydrophobicContact CG2-CD1 3.41Å; I122-F232 VanDerWaalsContact CG2-CD1 3.41Å; I122-F232 HydrophobicContact CG2-CD2 4.28Å; I122-F232 HydrophobicContact CG2-CE1 3.65Å; I122-F232 HydrophobicContact CG2-CG 3.72Å; I122-F232 HydrophobicContact CG2-CZ 4.23Å; I134-F232 HydrophobicContact CD1-CB 4.21Å; I134-F232 HydrophobicContact CG2-CB 3.74Å; I134-F232 HydrophobicContact CG2-CD1 4.09Å; I134-F232 HydrophobicContact CG2-CG 4.39Å; R136-F232 CarbonylContact O-C 3.5Å; R136-F232 WeakPolarHBondContact O-CA 3.48Å; K137-F232 HydrophobicContact CB-CD1 3.93Å; K137-F232 HydrophobicContact CB-CE1 3.94Å; K137-F232 HydrophobicContact CD-CD1 4.1Å; K137-F232 HydrophobicContact CD-CE1 3.26Å; K137-F232 HydrophobicContact CD-CE2 4.49Å; K137-F232 HydrophobicContact CD-CZ 3.49Å; K137-F232 VanDerWaalsContact CD-CZ 3.49Å; K137-F232 HydrophobicContact CG-CD1 3.74Å; K137-F232 HydrophobicContact CG-CE1 3.43Å; K137-F232 VanDerWaalsContact CG-CE1 3.43Å; K137-F232 HydrophobicContact CG-CE2 4.48Å; K137-F232 HydrophobicContact CG-CG 4.45Å; K137-F232 HydrophobicContact CG-CZ 3.83Å; L164-F232 PolarHBondContact N-O 2.78Å; I165-F232 PolarHBondContact N-O 3.09Å; I165-F232 PolarHBondContact O-N 2.89Å; C167-F232 HydrophobicContact CB-CE2 4.15Å; C167-F232 VanDerWaalsContact SG-CE2 3.6Å; L230-F232 HydrophobicContact CB-CE2 3.82Å; L230-F232 HydrophobicContact CB-CZ 4.35Å; L230-F232 HydrophobicContact CD1-CZ 4.45Å
233	A	89.8	Confident	71.8	Confident	5 Å²	5	68.2 Å²	68.2	4%	0.041	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	149.7	-168.4	0	0	0	0	0	112.8	V135 R136 G162 R163	V135-A233 PolarHBondContact N-O 3.42Å; R136-A233 HydrophobicContact CB-CB 4.25Å; R136-A233 PolarHBondContact N-O 3.28Å; R136-A233 VanDerWaalsContact N-O 3.11Å; R136-A233 PolarHBondContact O-N 3.44Å; G162-A233 CarbonylContact O-C 3.56Å; G162-A233 WeakPolarHBondContact O-CA 3.09Å; G162-A233 WeakPolarHBondContact O-CB 2.92Å; R163-A233 HydrophobicContact CG-CB 4.28Å
234	R	84	Confident	69.6	Low	91 Å²	91	62 Å²	62	34%	0.343	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	168.6	173.8	-59.7	176	-173.6	164.3	-5.2	111.6	N132 K133 V135 G162 L164	N132-R234 VanDerWaalsContact CG-CZ 3.43Å; N132-R234 PolarHBondContact ND2-NH2 3.49Å; N132-R234 VanDerWaalsContact ND2-NH2 3.11Å; N132-R234 PolarHBondContact OD1-NE 3.48Å; N132-R234 PolarHBondContact OD1-NH2 2.83Å; K133-R234 WeakPolarHBondContact O-CA 3.46Å; V135-R234 VanDerWaalsContact CG2-C 3.42Å; G162-R234 PolarHBondContact O-N 3.06Å; L164-R234 HydrophobicContact CB-CG 4.19Å; L164-R234 HydrophobicContact CD2-CG 4.02Å
235	S	73	Confident	67.5	Low	98 Å²	98	62.9 Å²	62.9	69%	0.685	33%	0.33	S	S	*	.	S	Bend	trans	-78.5	147.4	164.2	-165.1	0	0	0	0	108.5
236	G	59.6	Low	65.4	Low	68 Å²	68	63.2 Å²	63.2	70%	0.701	33%	0.332	S	S	*	.	S	Bend	trans	127.2	0.1	158.1	0	0	0	0	0	119.3
237	R	50.9	Low	62.8	Low	198 Å²	198	69.6 Å²	69.6	75%	0.747	36%	0.355	S	S	*	.	S	Bend	trans	-141.7	133.4	163.3	-71.3	-170.8	177.7	141.7	0.8	110.9	V239	R237-V239 PolarHBondContact O-N 2.88Å
238	S	40.6	Very low	60.1	Low	130 Å²	130	76 Å²	76	91%	0.909	38%	0.383	S	S	*	.			trans	-54.7	101.9	-177.4	-35.7	0	0	0	0	110.6
239	V	42.1	Very low	57.4	Low	51 Å²	51	84.2 Å²	84.2	31%	0.309	41%	0.413	S	S	.	.			trans	-123.4	103.1	172.7	-179.3	0	0	0	0	108.3	D161 R237 V241	D161-V239 HydrophobicContact CB-CG1 4.16Å; D161-V239 HydrophobicContact CB-CG2 3.67Å; D161-V239 VanDerWaalsContact O-CG2 3.23Å; D161-V239 WeakPolarHBondContact O-CG2 3.42Å; R237-V239 PolarHBondContact O-N 2.88Å; V239-V241 PolarHBondContact O-N 3.37Å
240	L	35.8	Very low	54.8	Low	141 Å²	141	93.8 Å²	93.8	74%	0.738	45%	0.449	S	S	*	.			trans	-22.7	123.6	152.7	-108.2	76.7	0	0	0	108.3	I242	L240-I242 PolarHBondContact O-N 3.41Å
241	V	40.5	Very low	52.5	Low	105 Å²	105	98.1 Å²	98.1	64%	0.636	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	3.5	105.6	162.7	178.7	0	0	0	0	110.6	V239 R243	V239-V241 PolarHBondContact O-N 3.37Å; V241-R243 HydrophobicContact CG1-CG 4.14Å; V241-R243 WeakPolarHBondContact O-CA 3.39Å; V241-R243 WeakPolarHBondContact O-CB 3.47Å; V241-R243 WeakPolarHBondContact O-CG 3.32Å; V241-R243 PolarHBondContact O-N 2.93Å
242	I	37.8	Very low	50	Low	31 Å²	31	101.4 Å²	101.4	16%	0.159	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.6	87.1	-178.3	-59	165.8	0	0	0	108.4	L240	L240-I242 PolarHBondContact O-N 3.41Å
243	R	40.7	Very low	47.3	Very low	201 Å²	201	109.4 Å²	109.4	76%	0.758	53%	0.527	S	S	*	.			trans	-111.2	110.6	175.1	-82.8	-172.4	173.7	-171	-0.9	98.9	V241 K245	V241-R243 HydrophobicContact CG1-CG 4.14Å; V241-R243 WeakPolarHBondContact O-CA 3.39Å; V241-R243 WeakPolarHBondContact O-CB 3.47Å; V241-R243 WeakPolarHBondContact O-CG 3.32Å; V241-R243 PolarHBondContact O-N 2.93Å; R243-K245 VanDerWaalsContact C-N 3.3Å; R243-K245 PolarHBondContact O-N 2.74Å
244	F	35.4	Very low	44.6	Very low	30 Å²	30	117.2 Å²	117.2	13%	0.132	58%	0.582	C	S	.	*			trans	-47.4	96.8	178	-96.1	-110.8	0	0	0	109.6	W100 D156 N231 Q246	W100-F244 AromaticContact CH2-CD2 3.39Å; W100-F244 HydrophobicContact CH2-CD2 3.39Å; W100-F244 AromaticContact CH2-CE2 3.6Å; W100-F244 HydrophobicContact CH2-CE2 3.6Å; W100-F244 HydrophobicContact CH2-CG 4.34Å; W100-F244 HydrophobicContact CZ2-CD2 4.07Å; W100-F244 HydrophobicContact CZ3-CD2 4.35Å; W100-F244 HydrophobicContact CZ3-CE2 4.33Å; D156-F244 WeakPolarHBondContact OD1-CE1 3.39Å; N231-F244 WeakPolarHBondContact ND2-CE2 3.4Å; N231-F244 WeakPolarHBondContact ND2-CZ 3.44Å; F244-Q246 HydrophobicContact CD1-CG 4.24Å
245	K	36	Very low	42.6	Very low	133 Å²	133	118.6 Å²	118.6	58%	0.578	59%	0.594	S	S	*	*			trans	-98.7	98.7	168.2	-85.4	-174.4	175.7	-179.4	0	105.1	R243	R243-K245 VanDerWaalsContact C-N 3.3Å; R243-K245 PolarHBondContact O-N 2.74Å
246	Q	44.5	Very low	41	Very low	8 Å²	8	119.6 Å²	119.6	4%	0.037	59%	0.589	C	S	.	*			trans	-96.1	124.6	175.3	-65.9	-159.3	-5.7	0	0	109.7	V83 F93 Y151 H154 F244	V83-Q246 HydrophobicContact CG1-CB 4.35Å; F93-Q246 HydrophobicContact CE1-CB 4.39Å; F93-Q246 HydrophobicContact CZ-CB 4.32Å; Y151-Q246 PolarHBondContact OH-NE2 3.25Å; Y151-Q246 PolarHBondContact OH-OE1 3.42Å; H154-Q246 PolarHBondContact CD2-NE2 2.8Å; H154-Q246 PolarHBondContact CD2-OE1 3.19Å; H154-Q246 PolarHBondContact NE2-NE2 3.49Å; F244-Q246 HydrophobicContact CD1-CG 4.24Å
247	R	40	Very low	40	Very low	141 Å²	141	122.5 Å²	122.5	53%	0.532	58%	0.583	S	S	.	*			trans	-106.6	135.1	170.6	-89.8	179.4	154.5	150.8	-5.7	108.9	R249	R247-R249 VanDerWaalsContact C-N 3.34Å; R247-R249 PolarHBondContact O-N 2.86Å
248	K	38.2	Very low	39.4	Very low	136 Å²	136	118.1 Å²	118.1	59%	0.591	57%	0.573	S	S	*	*			trans	-62.3	97.4	158.6	-77.4	176.6	-176.6	158.4	0	107.4	E90	E90-K248 IonicContact OE1-NZ 2.85Å; E90-K248 PolarHBondContact OE1-NZ 3.45Å; E90-K248 WeakPolarHBondContact OE2-CE 3.25Å; E90-K248 IonicContact OE2-NZ 2.89Å; E90-K248 PolarHBondContact OE2-NZ 3.17Å
249	R	40.7	Very low	39.3	Very low	171 Å²	171	117.3 Å²	117.3	65%	0.645	55%	0.552	S	S	*	*			trans	-99	139.7	151.3	-80.8	-174.3	164.4	172.4	-4	107	D159 R247 F251	D159-R249 IonicContact OD1-NH1 2.66Å; R247-R249 VanDerWaalsContact C-N 3.34Å; R247-R249 PolarHBondContact O-N 2.86Å; R249-F251 PolarHBondContact O-N 2.72Å; R249-F251 VanDerWaalsContact O-N 3.1Å
250	R	41.6	Very low	39.1	Very low	225 Å²	225	121.7 Å²	121.7	85%	0.849	57%	0.568	S	S	*	*			trans	-43.3	123.5	170	-70.6	-179.4	172.5	-176.5	-2.9	106.2	C252	R250-C252 PolarHBondContact O-N 2.86Å
251	F	46.8	Very low	39.3	Very low	92 Å²	92	120.4 Å²	120.4	40%	0.404	56%	0.556	S	S	.	*			trans	-35.5	133.2	174.8	-76.8	-77.1	0	0	0	108.6	R153 P213 R249 Q253	R153-F251 HydrophobicContact CB-CE1 3.91Å; R153-F251 HydrophobicContact CB-CZ 3.63Å; R153-F251 HydrophobicContact CG-CD1 4.48Å; R153-F251 HydrophobicContact CG-CE1 3.43Å; R153-F251 VanDerWaalsContact CG-CE1 3.43Å; R153-F251 HydrophobicContact CG-CZ 3.71Å; R153-F251 WeakPolarHBondContact O-CZ 3.38Å; P213-F251 HydrophobicContact CB-CD1 4.25Å; P213-F251 HydrophobicContact CB-CE1 4.28Å; R249-F251 PolarHBondContact O-N 2.72Å; R249-F251 VanDerWaalsContact O-N 3.1Å; F251-Q253 WeakPolarHBondContact O-CG 3.45Å; F251-Q253 PolarHBondContact O-N 3.27Å
252	C	40.6	Very low	39.2	Very low	70 Å²	70	121.5 Å²	121.5	47%	0.473	55%	0.55	S	S	.	*			trans	-47.4	97.2	177	-73.5	0	0	0	0	108.8	C210 R250 S254	C210-C252 HydrophobicContact CB-CB 4Å; C210-C252 WeakPolarHBondContact CB-SG 3.2Å; R250-C252 PolarHBondContact O-N 2.86Å; C252-S254 PolarHBondContact O-N 3.04Å
253	Q	34.8	Very low	39.4	Very low	172 Å²	172	129.1 Å²	129.1	80%	0.804	58%	0.583	S	S	*	*			trans	-93.3	90.2	174.6	-81.9	180	-10.3	0	0	103	F251	F251-Q253 WeakPolarHBondContact O-CG 3.45Å; F251-Q253 PolarHBondContact O-N 3.27Å
254	S	33.1	Very low	39.2	Very low	170 Å²	170	122.5 Å²	122.5	100%	1.189	57%	0.567	S	S	*	*			trans	-138.6	0	155.9	62.8	0	0	0	0	106.2	C252	C252-S254 PolarHBondContact O-N 3.04Å

Retrieved 254 of 254 residues in 103.3 ms (Link to these results)

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