A0A077Z4M7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z4M7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 269 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	62.4	Low	58.5	Low	195 Å²	195	98.6 Å²	98.6	96%	0.961	56%	0.56	S	S	*	*				0	138.8	0	-177.7	-179.7	-93.1	0	0	107.8	C233 S234	M1-C233 CarbonylContact O-C 3.55Å; M1-C233 WeakPolarHBondContact O-CA 3.27Å; M1-S234 PolarHBondContact N-O 2.81Å; M1-S234 PolarHBondContact O-N 3.46Å
2	C	65.5	Low	56.6	Low	57 Å²	57	102.2 Å²	102.2	39%	0.385	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.7	143.6	180	-59	0	0	0	0	110.2	L218 V232 C233	C2-L218 HydrophobicContact CB-CD2 4.23Å; C2-L218 VanDerWaalsContact SG-CD2 3.56Å; C2-V232 WeakPolarHBondContact CA-O 3.27Å; C2-C233 HydrophobicContact CB-CB 4.12Å; C2-C233 WeakPolarHBondContact CB-SG 3.46Å; C2-C233 WeakPolarHBondContact SG-CB 3.36Å; C2-C233 CovalentContact SG-SG 2.04Å; C2-C233 PolarHBondContact SG-SG 3.23Å
3	R	73.8	Confident	54.8	Low	117 Å²	117	98 Å²	98	44%	0.442	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-138.5	157.5	172.8	65.1	172.4	178.8	82.6	1.1	110.4	E9 Y231 V232	R3-E9 IonicContact CZ-OE1 2.75Å; R3-E9 IonicContact CZ-OE2 3.15Å; R3-E9 IonicContact NH1-OE1 2.72Å; R3-E9 IonicContact NH1-OE2 3.74Å; R3-E9 PolarHBondContact NH1-OE2 2.81Å; R3-E9 IonicContact NH2-OE1 3.5Å; R3-E9 PolarHBondContact NH2-OE1 3.03Å; R3-E9 IonicContact NH2-OE2 3.1Å; R3-E9 PolarHBondContact NH2-OE2 2.95Å; R3-Y231 CarbonylContact O-C 3.57Å; R3-Y231 WeakPolarHBondContact O-CA 3.22Å; R3-V232 PolarHBondContact N-O 2.74Å; R3-V232 PolarHBondContact O-N 2.62Å
4	K	68.3	Low	52.7	Low	85 Å²	85	102.6 Å²	102.6	37%	0.37	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-70.2	135.9	167.3	-158.5	176.3	-176	-176.7	0	108.5	N226 S228 I230 Y231	K4-N226 PolarHBondContact NZ-O 3.09Å; K4-S228 WeakPolarHBondContact CE-O 3.49Å; K4-S228 PolarHBondContact NZ-O 3.49Å; K4-I230 CarbonylContact C-O 3.49Å; K4-Y231 HydrophobicContact CB-CD1 4.23Å; K4-Y231 HydrophobicContact CB-CE1 3.9Å; K4-Y231 HydrophobicContact CG-CE1 4.24Å; K4-Y231 HydrophobicContact CG-CE2 4.21Å
5	A	68.3	Low	50.8	Low	20 Å²	20	101.2 Å²	101.2	17%	0.165	59%	0.592	C	S	.	*	P	Polyproline II helix	trans	-66.2	142.6	169.9	0	0	0	0	0	108.7	E9 V11 I230 V232	A5-E9 WeakPolarHBondContact CA-OE2 3.48Å; A5-V11 HydrophobicContact CB-CG2 4.38Å; A5-I230 HydrophobicContact CB-CB 4.12Å; A5-I230 HydrophobicContact CB-CG2 4.21Å; A5-I230 WeakPolarHBondContact CB-O 3.38Å; A5-I230 PolarHBondContact N-O 2.82Å; A5-V232 HydrophobicContact CB-CG2 4.3Å
6	T	68.9	Low	49.1	Very low	99 Å²	99	107.4 Å²	107.4	61%	0.607	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-88.2	152	173.4	45.9	0	0	0	0	109.9	G8 E9	T6-G8 PolarHBondContact O-N 3.49Å; T6-E9 VanDerWaalsContact O-CB 3.26Å; T6-E9 WeakPolarHBondContact O-CB 3.35Å; T6-E9 PolarHBondContact O-N 3.04Å; T6-E9 VanDerWaalsContact O-N 3.08Å
7	D	56.1	Low	47.6	Very low	174 Å²	174	109.6 Å²	109.6	93%	0.93	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.5	133.5	176.4	-67.6	-29.3	0	0	0	111
8	G	45.8	Very low	46.2	Very low	80 Å²	80	107.9 Å²	107.9	83%	0.825	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	91	-7.9	-176.7	0	0	0	0	0	115.3	T6 T10	T6-G8 PolarHBondContact O-N 3.49Å; G8-T10 PolarHBondContact O-N 3.07Å
9	E	49.2	Very low	45	Very low	75 Å²	75	108.3 Å²	108.3	35%	0.35	63%	0.63	S	S	.	*			trans	-72.2	117.9	174.2	-158.9	169.1	-167.5	0	0	110.1	R3 A5 T6 V11	R3-E9 IonicContact CZ-OE1 2.75Å; R3-E9 IonicContact CZ-OE2 3.15Å; R3-E9 IonicContact NH1-OE1 2.72Å; R3-E9 IonicContact NH1-OE2 3.74Å; R3-E9 PolarHBondContact NH1-OE2 2.81Å; R3-E9 IonicContact NH2-OE1 3.5Å; R3-E9 PolarHBondContact NH2-OE1 3.03Å; R3-E9 IonicContact NH2-OE2 3.1Å; R3-E9 PolarHBondContact NH2-OE2 2.95Å; A5-E9 WeakPolarHBondContact CA-OE2 3.48Å; T6-E9 VanDerWaalsContact O-CB 3.26Å; T6-E9 WeakPolarHBondContact O-CB 3.35Å; T6-E9 PolarHBondContact O-N 3.04Å; T6-E9 VanDerWaalsContact O-N 3.08Å; E9-V11 PolarHBondContact O-N 3.05Å; E9-V11 VanDerWaalsContact O-N 3.08Å
10	T	41.2	Very low	44	Very low	143 Å²	143	107 Å²	107	88%	0.877	63%	0.627	S	S	*	*			trans	-73.8	104.8	-178.1	-20.8	0	0	0	0	109.1	G8	G8-T10 PolarHBondContact O-N 3.07Å
11	V	43.6	Very low	43	Very low	40 Å²	40	108.8 Å²	108.8	24%	0.242	63%	0.634	C	S	.	*			trans	-107.9	120.4	177	-179.2	0	0	0	0	108.8	A5 E9 G13 I230 V232 T247	A5-V11 HydrophobicContact CB-CG2 4.38Å; E9-V11 PolarHBondContact O-N 3.05Å; E9-V11 VanDerWaalsContact O-N 3.08Å; V11-G13 PolarHBondContact O-N 2.8Å; V11-I230 HydrophobicContact CB-CG2 4.36Å; V11-I230 HydrophobicContact CG1-CG2 4.01Å; V11-I230 HydrophobicContact CG2-CG2 4.07Å; V11-V232 HydrophobicContact CG2-CG2 4.44Å; V11-T247 HydrophobicContact CB-CG2 4.45Å; V11-T247 HydrophobicContact CG1-CG2 3.2Å
12	T	36.3	Very low	41.3	Very low	141 Å²	141	108.5 Å²	108.5	87%	0.865	63%	0.628	S	S	*	*			trans	-77	105.2	173.5	37.2	0	0	0	0	110.4
13	G	32.7	Very low	39.6	Very low	48 Å²	48	110.8 Å²	110.8	50%	0.495	64%	0.635	S	S	.	*			trans	-177	120.5	170.8	0	0	0	0	0	111.5	V11 V15	V11-G13 PolarHBondContact O-N 2.8Å; G13-V15 PolarHBondContact O-N 2.83Å
14	D	25.9	Very low	37.4	Very low	163 Å²	163	112.1 Å²	112.1	87%	0.872	65%	0.646	S	S	*	*			trans	-68	123	177.7	-71.8	-42.5	0	0	0	110.9
15	V	24.5	Very low	35.6	Very low	81 Å²	81	110.5 Å²	110.5	49%	0.491	64%	0.641	S	S	.	*			trans	-104.9	107.5	177	-178.4	0	0	0	0	109	G13 N249	G13-V15 PolarHBondContact O-N 2.83Å; V15-N249 WeakPolarHBondContact CG1-ND2 3.16Å; V15-N249 HydrophobicContact CG2-CB 4.43Å
16	K	22.8	Very low	33.7	Very low	201 Å²	201	116.3 Å²	116.3	87%	0.874	66%	0.663	S	S	*	*			trans	-93.8	113.5	161.2	-87.1	-176.2	175.9	178.3	0	109	A18	K16-A18 PolarHBondContact O-N 2.79Å
17	L	23.7	Very low	32	Very low	144 Å²	144	117.9 Å²	117.9	75%	0.754	67%	0.668	S	S	*	*			trans	-70.9	115.5	167.5	-77.4	155.4	0	0	0	108.4	S19	L17-S19 PolarHBondContact O-N 2.59Å
18	A	22.7	Very low	30.9	Very low	80 Å²	80	115.1 Å²	115.1	66%	0.661	65%	0.648	S	S	*	*			trans	-70.2	124.5	168.4	0	0	0	0	0	108.6	K16 S20	K16-A18 PolarHBondContact O-N 2.79Å; A18-S20 PolarHBondContact O-N 2.78Å
19	S	22.6	Very low	30.5	Very low	114 Å²	114	116.2 Å²	116.2	80%	0.797	64%	0.643	S	S	*	*			trans	-57.5	114.5	171.3	52.3	0	0	0	0	109.6	L17	L17-S19 PolarHBondContact O-N 2.59Å
20	S	25.1	Very low	30	Very low	82 Å²	82	115.5 Å²	115.5	57%	0.573	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-75.4	138.8	171.9	59.4	0	0	0	0	109.6	A18 F22	A18-S20 PolarHBondContact O-N 2.78Å; S20-F22 PolarHBondContact O-N 2.87Å
21	N	24.6	Very low	29.8	Very low	146 Å²	146	114.6 Å²	114.6	78%	0.781	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-64	118.9	170.7	-70.9	-34.1	0	0	0	108.2	I23	N21-I23 PolarHBondContact O-N 3.28Å
22	F	25.7	Very low	29.7	Very low	188 Å²	188	120 Å²	120	83%	0.825	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-66	126.4	173.2	-78.4	-98.5	0	0	0	109.5	S20	S20-F22 PolarHBondContact O-N 2.87Å
23	I	29.3	Very low	30.1	Very low	105 Å²	105	115.9 Å²	115.9	54%	0.538	63%	0.626	S	S	.	*			trans	-107.1	110.5	179.8	-57.9	174.4	0	0	0	108	N21	N21-I23 PolarHBondContact O-N 3.28Å
24	Q	27.3	Very low	30.5	Very low	145 Å²	145	119.9 Å²	119.9	68%	0.678	63%	0.629	S	S	*	*			trans	-77.3	118.2	169.4	-75.5	178.4	-24.8	0	0	109.2	F26	Q24-F26 HydrophobicContact CB-CE2 4.35Å; Q24-F26 PolarHBondContact O-N 2.85Å
25	L	31.1	Very low	31.3	Very low	51 Å²	51	117.8 Å²	117.8	27%	0.267	61%	0.613	S	S	.	*			trans	-76.8	113.1	164.5	-77.3	135.2	0	0	0	107.7	L257 L260	L25-L257 HydrophobicContact CD1-CD2 4.41Å; L25-L260 HydrophobicContact CB-CD2 3.67Å; L25-L260 HydrophobicContact CD1-CD1 3.35Å; L25-L260 HydrophobicContact CD1-CD2 3.84Å; L25-L260 HydrophobicContact CD1-CG 4.12Å; L25-L260 HydrophobicContact CG-CD1 4.49Å; L25-L260 HydrophobicContact CG-CD2 4.29Å
26	F	29.3	Very low	32.3	Very low	142 Å²	142	116.6 Å²	116.6	62%	0.623	60%	0.6	S	S	*	*			trans	-75.9	126.2	168.1	-70	-88.3	0	0	0	109.3	Q24 F28	Q24-F26 HydrophobicContact CB-CE2 4.35Å; Q24-F26 PolarHBondContact O-N 2.85Å; F26-F28 VanDerWaalsContact O-CD2 3.27Å; F26-F28 WeakPolarHBondContact O-CD2 3.23Å; F26-F28 PolarHBondContact O-N 2.84Å
27	D	33.1	Very low	33.1	Very low	132 Å²	132	114.5 Å²	114.5	71%	0.706	59%	0.593	S	S	*	*			trans	38.1	61.6	154.5	-72.6	-26.6	0	0	0	118.9
28	F	33.1	Very low	34	Very low	117 Å²	117	111.5 Å²	111.5	51%	0.513	60%	0.597	S	S	.	*			trans	-110.3	95.1	160.4	-76.4	-81.4	0	0	0	110.3	F26 M181	F26-F28 VanDerWaalsContact O-CD2 3.27Å; F26-F28 WeakPolarHBondContact O-CD2 3.23Å; F26-F28 PolarHBondContact O-N 2.84Å; F28-M181 HydrophobicContact CD1-CE 3.85Å
29	S	36.5	Very low	35.7	Very low	103 Å²	103	111.7 Å²	111.7	72%	0.72	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-79.3	120.1	162.4	78.9	0	0	0	0	108.5	M31	S29-M31 PolarHBondContact O-N 3.42Å
30	V	38.6	Very low	37.5	Very low	59 Å²	59	109.4 Å²	109.4	36%	0.358	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-68.9	130	166.4	-176.5	0	0	0	0	106.3	H32	V30-H32 PolarHBondContact O-N 2.79Å
31	M	37.5	Very low	39.4	Very low	124 Å²	124	107.4 Å²	107.4	61%	0.611	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-55.4	138.8	177.5	-70.4	-155.2	-168.8	0	0	110.3	S29 N33 Y196	S29-M31 PolarHBondContact O-N 3.42Å; M31-N33 PolarHBondContact O-N 2.86Å; M31-Y196 HydrophobicContact CB-CD2 4.05Å; M31-Y196 HydrophobicContact CB-CE2 4.41Å; M31-Y196 HydrophobicContact SD-CE2 4.43Å
32	H	42.6	Very low	41.4	Very low	155 Å²	155	100.6 Å²	100.6	72%	0.718	51%	0.514	S	S	*	.			trans	-62.1	107.9	-174.6	-78	86.7	0	0	0	111.4	V30 K34	V30-H32 PolarHBondContact O-N 2.79Å; H32-K34 HydrophobicContact CB-CD 4.35Å; H32-K34 HydrophobicContact CB-CG 4.12Å; H32-K34 PolarHBondContact O-N 2.04Å
33	N	43.8	Very low	43.3	Very low	54 Å²	54	97.1 Å²	97.1	29%	0.289	50%	0.495	S	S	.	.			trans	-73.8	38.3	172.7	-74.8	-31.3	0	0	0	112.2	M31 K35 Y36 L195	M31-N33 PolarHBondContact O-N 2.86Å; N33-K35 PolarHBondContact O-N 2.96Å; N33-Y36 HydrophobicContact CB-CD2 4.03Å; N33-Y36 HydrophobicContact CB-CE2 3.78Å; N33-Y36 WeakPolarHBondContact O-CD2 3.12Å; N33-L195 WeakPolarHBondContact ND2-CD1 3.01Å
34	K	40.8	Very low	45.1	Very low	131 Å²	131	100.2 Å²	100.2	57%	0.57	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-63.8	-11.3	-174.4	-82	-179.1	179	-171.5	0	114.6	H32 Y36 E37	H32-K34 HydrophobicContact CB-CD 4.35Å; H32-K34 HydrophobicContact CB-CG 4.12Å; H32-K34 PolarHBondContact O-N 2.04Å; K34-Y36 PolarHBondContact O-N 2.85Å; K34-E37 PolarHBondContact O-N 3.31Å
35	K	43.3	Very low	47.3	Very low	120 Å²	120	96.3 Å²	96.3	52%	0.522	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-64.6	-7	-177.4	-158.2	176.2	173.9	-171.2	0	114	N33 D193	N33-K35 PolarHBondContact O-N 2.96Å; K35-D193 IonicContact NZ-OD1 3.76Å; K35-D193 PolarHBondContact NZ-OD1 3.1Å
36	Y	46	Very low	49.1	Very low	55 Å²	55	95.5 Å²	95.5	22%	0.216	50%	0.495	C	S	.	.	G	3₁₀ helix	trans	-102.9	1.2	-177.3	-47.6	-62.8	0	0	0	113.9	N33 K34 F39 F107 L108 D193 L195	N33-Y36 HydrophobicContact CB-CD2 4.03Å; N33-Y36 HydrophobicContact CB-CE2 3.78Å; N33-Y36 WeakPolarHBondContact O-CD2 3.12Å; K34-Y36 PolarHBondContact O-N 2.85Å; Y36-F39 WeakPolarHBondContact O-CD2 3.16Å; Y36-F107 HydrophobicContact CE1-CB 4.4Å; Y36-F107 HydrophobicContact CE1-CD1 4.38Å; Y36-L108 WeakPolarHBondContact CE1-O 3.27Å; Y36-L108 PolarHBondContact OH-O 3.08Å; Y36-D193 PolarHBondContact OH-OD2 3.1Å; Y36-L195 HydrophobicContact CE2-CD1 3.99Å
37	E	38.7	Very low	51.3	Low	157 Å²	157	90.8 Å²	90.8	73%	0.734	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	130.6	172.2	-72.7	179.2	-179.7	0	0	110.8	K34	K34-E37 PolarHBondContact O-N 3.31Å
38	G	42.7	Very low	52.9	Low	82 Å²	82	84.6 Å²	84.6	85%	0.845	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.8	3.1	173.3	0	0	0	0	0	116.6
39	F	58.3	Low	54.8	Low	84 Å²	84	80 Å²	80	37%	0.368	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-93.9	133.9	170.8	-57.8	-72.2	0	0	0	110.5	Y36 T65 F107	Y36-F39 WeakPolarHBondContact O-CD2 3.16Å; F39-T65 HydrophobicContact CD1-CG2 3.93Å; F39-T65 HydrophobicContact CE1-CG2 3.61Å; F39-T65 HydrophobicContact CZ-CG2 4.14Å; F39-F107 HydrophobicContact CE1-CZ 4.38Å; F39-F107 HydrophobicContact CE2-CE1 4.26Å; F39-F107 HydrophobicContact CE2-CZ 4.46Å; F39-F107 AromaticContact CZ-CE1 3.86Å; F39-F107 HydrophobicContact CZ-CE1 3.86Å; F39-F107 HydrophobicContact CZ-CE2 4.17Å; F39-F107 AromaticContact CZ-CZ 3.65Å; F39-F107 HydrophobicContact CZ-CZ 3.65Å
40	S	61.2	Low	56	Low	65 Å²	65	76.3 Å²	76.3	46%	0.455	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-81.6	138.9	174.2	52.1	0	0	0	0	110.6	P42 D45 R47	S40-P42 WeakPolarHBondContact O-CD 3.33Å; S40-D45 WeakPolarHBondContact CB-OD2 2.97Å; S40-D45 PolarHBondContact OG-OD2 2.75Å; S40-R47 PolarHBondContact O-NH2 3.36Å; S40-R47 PolarHBondContact OG-NH2 2.63Å
41	D	64.9	Low	57.1	Low	41 Å²	41	76 Å²	76	22%	0.219	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-66.8	121.7	167.3	-175.4	-27.2	0	0	0	107.7	R43 E44 D45	D41-R43 PolarHBondContact O-N 3.08Å; D41-R43 VanDerWaalsContact OD1-CB 3.28Å; D41-R43 WeakPolarHBondContact OD1-CB 3.35Å; D41-R43 WeakPolarHBondContact OD1-CG 3.04Å; D41-R43 PolarHBondContact OD1-N 3.35Å; D41-R43 IonicContact OD1-NE 3.41Å; D41-R43 PolarHBondContact OD1-NE 2.76Å; D41-R43 VanDerWaalsContact OD1-NE 3.1Å; D41-R43 IonicContact OD2-CZ 3.66Å; D41-R43 IonicContact OD2-NE 3.4Å; D41-R43 PolarHBondContact OD2-NE 3.29Å; D41-R43 VanDerWaalsContact OD2-NE 3.15Å; D41-R43 IonicContact OD2-NH2 3.16Å; D41-R43 PolarHBondContact OD2-NH2 2.77Å; D41-E44 HydrophobicContact CB-CB 4.12Å; D41-E44 HydrophobicContact CB-CG 3.91Å; D41-E44 PolarHBondContact O-N 3.37Å; D41-D45 PolarHBondContact O-N 3.44Å
42	P	66.7	Low	58.2	Low	2 Å²	2	75.7 Å²	75.7	1%	0.013	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-16.9	-179.1	27.5	-37.7	0	0	0	113	S40 D45 G46 R47 L48 L62 D66 Y70	S40-P42 WeakPolarHBondContact O-CD 3.33Å; P42-D45 VanDerWaalsContact CA-OD1 3.24Å; P42-D45 WeakPolarHBondContact CA-OD1 3.33Å; P42-G46 CarbonylContact O-C 3.55Å; P42-G46 PolarHBondContact O-N 2.87Å; P42-R47 HydrophobicContact CB-CB 3.93Å; P42-R47 CarbonylContact O-C 3.48Å; P42-R47 PolarHBondContact O-N 3.46Å; P42-L48 HydrophobicContact CB-CB 3.93Å; P42-L48 HydrophobicContact CG-CB 4.29Å; P42-L48 PolarHBondContact O-N 2.75Å; P42-L62 HydrophobicContact CB-CD2 3.95Å; P42-D66 HydrophobicContact CG-CB 4.13Å; P42-Y70 HydrophobicContact CG-CD1 4.16Å; P42-Y70 HydrophobicContact CG-CE1 3.26Å; P42-Y70 HydrophobicContact CG-CE2 4.47Å; P42-Y70 VanDerWaalsContact CG-CZ 3.45Å; P42-Y70 WeakPolarHBondContact CG-OH 3.31Å
43	R	64.5	Low	58.8	Low	115 Å²	115	76.6 Å²	76.6	43%	0.434	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-35.9	171.9	-58.6	174.3	-65.9	169	5.4	112.4	D41 L48 Y70 E71	D41-R43 PolarHBondContact O-N 3.08Å; D41-R43 VanDerWaalsContact OD1-CB 3.28Å; D41-R43 WeakPolarHBondContact OD1-CB 3.35Å; D41-R43 WeakPolarHBondContact OD1-CG 3.04Å; D41-R43 PolarHBondContact OD1-N 3.35Å; D41-R43 IonicContact OD1-NE 3.41Å; D41-R43 PolarHBondContact OD1-NE 2.76Å; D41-R43 VanDerWaalsContact OD1-NE 3.1Å; D41-R43 IonicContact OD2-CZ 3.66Å; D41-R43 IonicContact OD2-NE 3.4Å; D41-R43 PolarHBondContact OD2-NE 3.29Å; D41-R43 VanDerWaalsContact OD2-NE 3.15Å; D41-R43 IonicContact OD2-NH2 3.16Å; D41-R43 PolarHBondContact OD2-NH2 2.77Å; R43-L48 WeakPolarHBondContact CA-O 3.41Å; R43-L48 HydrophobicContact CG-CD2 4.33Å; R43-Y70 HydrophobicContact CG-CD1 3.95Å; R43-E71 WeakPolarHBondContact CD-O 3.44Å; R43-E71 PolarHBondContact NH1-O 3.41Å
44	E	67.9	Low	59.3	Low	170 Å²	170	77.1 Å²	77.1	79%	0.794	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-33.8	-179.3	-67	-171.8	169.5	0	0	111.6	D41	D41-E44 HydrophobicContact CB-CB 4.12Å; D41-E44 HydrophobicContact CB-CG 3.91Å; D41-E44 PolarHBondContact O-N 3.37Å
45	D	72.1	Confident	60.1	Low	64 Å²	64	77.1 Å²	77.1	34%	0.342	40%	0.397	S	S	.	.	S	Bend	trans	-90.5	0.9	177.5	69.7	30.1	0	0	0	114.3	S40 D41 P42 R47	S40-D45 WeakPolarHBondContact CB-OD2 2.97Å; S40-D45 PolarHBondContact OG-OD2 2.75Å; D41-D45 PolarHBondContact O-N 3.44Å; P42-D45 VanDerWaalsContact CA-OD1 3.24Å; P42-D45 WeakPolarHBondContact CA-OD1 3.33Å; D45-R47 PolarHBondContact O-N 2.9Å; D45-R47 VanDerWaalsContact OD1-CB 3.26Å; D45-R47 WeakPolarHBondContact OD1-CB 3.03Å; D45-R47 WeakPolarHBondContact OD1-CG 3.36Å; D45-R47 IonicContact OD1-CZ 3.3Å; D45-R47 PolarHBondContact OD1-N 3.16Å; D45-R47 IonicContact OD1-NE 2.91Å; D45-R47 PolarHBondContact OD1-NE 2.94Å; D45-R47 IonicContact OD1-NH2 2.68Å; D45-R47 IonicContact OD2-CZ 3.72Å; D45-R47 IonicContact OD2-NE 2.8Å; D45-R47 PolarHBondContact OD2-NE 3.2Å; D45-R47 IonicContact OD2-NH2 3.94Å; D45-R47 PolarHBondContact OD2-NH2 3.13Å
46	G	70.2	Confident	60.7	Low	33 Å²	33	72.5 Å²	72.5	34%	0.34	38%	0.377	S	S	.	.	S	Bend	trans	86.4	-5.9	174.6	0	0	0	0	0	115.4	P42 L48 H49 F60	P42-G46 CarbonylContact O-C 3.55Å; P42-G46 PolarHBondContact O-N 2.87Å; G46-L48 PolarHBondContact O-N 2.85Å; G46-H49 PolarHBondContact O-ND1 3.17Å; G46-H49 VanDerWaalsContact O-ND1 3.09Å; G46-F60 VanDerWaalsContact O-CD2 3.32Å; G46-F60 WeakPolarHBondContact O-CD2 3.39Å
47	R	74.2	Confident	61.4	Low	43 Å²	43	70.8 Å²	70.8	16%	0.162	37%	0.372	C	S	.	.	S	Bend	trans	-65.4	-17.5	179.6	-68.5	179.5	-63.5	142.2	7.8	114.8	S40 P42 D45 F60 L62 D66	S40-R47 PolarHBondContact O-NH2 3.36Å; S40-R47 PolarHBondContact OG-NH2 2.63Å; P42-R47 HydrophobicContact CB-CB 3.93Å; P42-R47 CarbonylContact O-C 3.48Å; P42-R47 PolarHBondContact O-N 3.46Å; D45-R47 PolarHBondContact O-N 2.9Å; D45-R47 VanDerWaalsContact OD1-CB 3.26Å; D45-R47 WeakPolarHBondContact OD1-CB 3.03Å; D45-R47 WeakPolarHBondContact OD1-CG 3.36Å; D45-R47 IonicContact OD1-CZ 3.3Å; D45-R47 PolarHBondContact OD1-N 3.16Å; D45-R47 IonicContact OD1-NE 2.91Å; D45-R47 PolarHBondContact OD1-NE 2.94Å; D45-R47 IonicContact OD1-NH2 2.68Å; D45-R47 IonicContact OD2-CZ 3.72Å; D45-R47 IonicContact OD2-NE 2.8Å; D45-R47 PolarHBondContact OD2-NE 3.2Å; D45-R47 IonicContact OD2-NH2 3.94Å; D45-R47 PolarHBondContact OD2-NH2 3.13Å; R47-F60 HydrophobicContact CB-CB 4.03Å; R47-F60 HydrophobicContact CG-CB 4.14Å; R47-F60 PolarHBondContact O-N 2.72Å; R47-L62 HydrophobicContact CB-CD2 4.05Å; R47-D66 IonicContact CZ-OD1 3.88Å; R47-D66 IonicContact CZ-OD2 3.92Å; R47-D66 VanDerWaalsContact NH1-CG 3.28Å; R47-D66 IonicContact NH1-OD1 2.82Å; R47-D66 PolarHBondContact NH1-OD1 3.28Å; R47-D66 IonicContact NH1-OD2 2.76Å; R47-D66 PolarHBondContact NH1-OD2 2.81Å; R47-D66 IonicContact NH2-OD1 2.97Å; R47-D66 PolarHBondContact NH2-OD1 3.09Å; R47-D66 IonicContact NH2-OD2 3.2Å
48	L	68.3	Low	62.6	Low	2 Å²	2	64 Å²	64	1%	0.01	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	112.5	174.9	-176.3	72.8	0	0	0	111.3	P42 R43 G46 L57 I59 Y70 I95	P42-L48 HydrophobicContact CB-CB 3.93Å; P42-L48 HydrophobicContact CG-CB 4.29Å; P42-L48 PolarHBondContact O-N 2.75Å; R43-L48 WeakPolarHBondContact CA-O 3.41Å; R43-L48 HydrophobicContact CG-CD2 4.33Å; G46-L48 PolarHBondContact O-N 2.85Å; L48-L57 HydrophobicContact CD1-CD1 3.92Å; L48-I59 HydrophobicContact CD1-CG1 3.81Å; L48-Y70 HydrophobicContact CD2-CD1 3.45Å; L48-Y70 VanDerWaalsContact CD2-CD1 3.45Å; L48-Y70 HydrophobicContact CD2-CD2 3.54Å; L48-Y70 HydrophobicContact CD2-CE1 4.13Å; L48-Y70 HydrophobicContact CD2-CE2 4.19Å; L48-Y70 HydrophobicContact CD2-CG 3.1Å; L48-I95 HydrophobicContact CD1-CD1 3.34Å; L48-I95 HydrophobicContact CD2-CD1 3.5Å; L48-I95 HydrophobicContact CG-CD1 4.06Å
49	H	72.5	Confident	63.6	Low	20 Å²	20	62.3 Å²	62.3	9%	0.093	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	160.5	175.8	66.2	-93	0	0	0	112.8	G46 H58 F60	G46-H49 PolarHBondContact O-ND1 3.17Å; G46-H49 VanDerWaalsContact O-ND1 3.09Å; H49-H58 PolarHBondContact N-O 2.82Å; H49-H58 VanDerWaalsContact N-O 3.1Å; H49-H58 AromaticContact NE2-CD2 3.87Å; H49-H58 AromaticContact NE2-CG 3.75Å; H49-H58 PolarHBondContact O-N 2.74Å; H49-F60 AromaticContact CE1-CE2 3.45Å; H49-F60 VanDerWaalsContact CE1-CE2 3.45Å; H49-F60 WeakPolarHBondContact CE1-CE2 3.47Å; H49-F60 AromaticContact ND1-CE2 3.83Å
50	I	61.4	Low	64.2	Low	27 Å²	27	59.8 Å²	59.8	14%	0.138	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	122.8	176.2	-63.9	177.7	0	0	0	108.6	M56 L57 C72	I50-M56 CarbonylContact C-O 3.48Å; I50-M56 WeakPolarHBondContact CA-O 3.41Å; I50-L57 HydrophobicContact CD1-CD1 4.15Å; I50-L57 HydrophobicContact CG1-CB 4.38Å; I50-L57 HydrophobicContact CG1-CD1 3.45Å; I50-L57 VanDerWaalsContact CG1-CD1 3.45Å; I50-C72 HydrophobicContact CB-CB 4.3Å; I50-C72 HydrophobicContact CD1-CB 3.39Å; I50-C72 HydrophobicContact CG1-CB 3.54Å
51	E	62.5	Low	64.7	Low	53 Å²	53	61.4 Å²	61.4	25%	0.248	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	136.8	165.6	-74.4	-173.4	162.3	0	0	109.8	P54 K55 M56 H58	E51-P54 VanDerWaalsContact O-O 3.05Å; E51-K55 CarbonylContact O-C 3.59Å; E51-K55 WeakPolarHBondContact O-CA 3.26Å; E51-M56 PolarHBondContact N-O 3Å; E51-M56 PolarHBondContact O-N 2.82Å; E51-H58 WeakPolarHBondContact CG-NE2 3.32Å; E51-H58 IonicContact OE1-NE2 3.23Å; E51-H58 IonicContact OE2-CD2 3.95Å; E51-H58 IonicContact OE2-CE1 2.81Å; E51-H58 IonicContact OE2-NE2 3.23Å; E51-H58 PolarHBondContact OE2-NE2 2.79Å
52	E	59.2	Low	65	Low	116 Å²	116	60.8 Å²	60.8	54%	0.542	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-31.7	-176.8	-76.6	-168.9	137.6	0	0	113.5	P54 K55 D74	E52-P54 CarbonylContact O-C 3.43Å; E52-K55 WeakPolarHBondContact O-CA 3.42Å; E52-K55 WeakPolarHBondContact O-CG 3.34Å; E52-K55 PolarHBondContact O-N 3.45Å; E52-K55 VanDerWaalsContact O-N 3.1Å; E52-D74 HydrophobicContact CG-CB 3.86Å; E52-D74 WeakPolarHBondContact CG-OD1 3.34Å; E52-D74 VanDerWaalsContact OE1-CG 3.28Å
53	M	56.3	Low	65.1	Low	174 Å²	174	64.5 Å²	64.5	86%	0.857	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.9	102.2	-167.8	-80.3	-81.2	-89.2	0	0	110.7
54	P	53.3	Low	65.2	Low	66 Å²	66	59.2 Å²	59.2	43%	0.429	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	cis	-67.7	153.1	-10.7	24.6	-23.8	0	0	0	110.9	E51 E52 M56	E51-P54 VanDerWaalsContact O-O 3.05Å; E52-P54 CarbonylContact O-C 3.43Å; P54-M56 HydrophobicContact CB-CG 4.21Å; P54-M56 HydrophobicContact CG-CE 3.52Å; P54-M56 HydrophobicContact CG-CG 3.89Å; P54-M56 HydrophobicContact CG-SD 3.76Å; P54-M56 WeakPolarHBondContact O-CB 3.44Å; P54-M56 WeakPolarHBondContact O-CG 3.46Å; P54-M56 PolarHBondContact O-N 2.97Å
55	K	57.2	Low	65.1	Low	131 Å²	131	52 Å²	52	57%	0.57	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58	81.5	177.4	-71.8	-174.2	178.6	178.4	0	111.3	E51 E52	E51-K55 CarbonylContact O-C 3.59Å; E51-K55 WeakPolarHBondContact O-CA 3.26Å; E52-K55 WeakPolarHBondContact O-CA 3.42Å; E52-K55 WeakPolarHBondContact O-CG 3.34Å; E52-K55 PolarHBondContact O-N 3.45Å; E52-K55 VanDerWaalsContact O-N 3.1Å
56	M	56.3	Low	65	Low	22 Å²	22	49 Å²	49	11%	0.108	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126	-171.9	-74.5	-165.5	-56	0	0	108.9	I50 E51 P54 E84	I50-M56 CarbonylContact C-O 3.48Å; I50-M56 WeakPolarHBondContact CA-O 3.41Å; E51-M56 PolarHBondContact N-O 3Å; E51-M56 PolarHBondContact O-N 2.82Å; P54-M56 HydrophobicContact CB-CG 4.21Å; P54-M56 HydrophobicContact CG-CE 3.52Å; P54-M56 HydrophobicContact CG-CG 3.89Å; P54-M56 HydrophobicContact CG-SD 3.76Å; P54-M56 WeakPolarHBondContact O-CB 3.44Å; P54-M56 WeakPolarHBondContact O-CG 3.46Å; P54-M56 PolarHBondContact O-N 2.97Å; M56-E84 HydrophobicContact SD-CG 4.06Å
57	L	61.6	Low	64.8	Low	20 Å²	20	47.5 Å²	47.5	11%	0.105	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	111.5	168.8	178.3	67.2	0	0	0	107.4	L48 I50 I59 W93	L48-L57 HydrophobicContact CD1-CD1 3.92Å; I50-L57 HydrophobicContact CD1-CD1 4.15Å; I50-L57 HydrophobicContact CG1-CB 4.38Å; I50-L57 HydrophobicContact CG1-CD1 3.45Å; I50-L57 VanDerWaalsContact CG1-CD1 3.45Å; L57-I59 HydrophobicContact CD2-CD1 3.82Å; L57-I59 HydrophobicContact CD2-CG1 4.06Å; L57-I59 HydrophobicContact CG-CD1 4.15Å; L57-I59 HydrophobicContact CG-CG1 3.84Å; L57-W93 HydrophobicContact CD2-CD2 4.35Å; L57-W93 HydrophobicContact CD2-CG 4.42Å
58	H	62.3	Low	64.3	Low	13 Å²	13	45.6 Å²	45.6	6%	0.06	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	118.4	172.7	-68.6	-98.1	0	0	0	108.7	H49 E51 F60 L82	H49-H58 PolarHBondContact N-O 2.82Å; H49-H58 VanDerWaalsContact N-O 3.1Å; H49-H58 AromaticContact NE2-CD2 3.87Å; H49-H58 AromaticContact NE2-CG 3.75Å; H49-H58 PolarHBondContact O-N 2.74Å; E51-H58 WeakPolarHBondContact CG-NE2 3.32Å; E51-H58 IonicContact OE1-NE2 3.23Å; E51-H58 IonicContact OE2-CD2 3.95Å; E51-H58 IonicContact OE2-CE1 2.81Å; E51-H58 IonicContact OE2-NE2 3.23Å; E51-H58 PolarHBondContact OE2-NE2 2.79Å; H58-F60 HydrophobicContact CB-CE2 4.01Å; H58-L82 WeakPolarHBondContact ND1-CD2 3.24Å
59	I	65.6	Low	63.8	Low	48 Å²	48	48.8 Å²	48.8	25%	0.246	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	100.2	176.9	-54.2	171.4	0	0	0	107	L48 L57 L62	L48-I59 HydrophobicContact CD1-CG1 3.81Å; L57-I59 HydrophobicContact CD2-CD1 3.82Å; L57-I59 HydrophobicContact CD2-CG1 4.06Å; L57-I59 HydrophobicContact CG-CD1 4.15Å; L57-I59 HydrophobicContact CG-CG1 3.84Å; I59-L62 HydrophobicContact CG2-CD1 3.61Å; I59-L62 HydrophobicContact CG2-CD2 4.46Å; I59-L62 HydrophobicContact CG2-CG 3.7Å
60	F	69.4	Low	63.3	Low	31 Å²	31	48.8 Å²	48.8	14%	0.136	25%	0.246	C	C	.	.			trans	-70.9	163.8	168.7	-66.7	-88.2	0	0	0	109.6	G46 R47 H49 H58 L62 S78 N79 D80	G46-F60 VanDerWaalsContact O-CD2 3.32Å; G46-F60 WeakPolarHBondContact O-CD2 3.39Å; R47-F60 HydrophobicContact CB-CB 4.03Å; R47-F60 HydrophobicContact CG-CB 4.14Å; R47-F60 PolarHBondContact O-N 2.72Å; H49-F60 AromaticContact CE1-CE2 3.45Å; H49-F60 VanDerWaalsContact CE1-CE2 3.45Å; H49-F60 WeakPolarHBondContact CE1-CE2 3.47Å; H49-F60 AromaticContact ND1-CE2 3.83Å; H58-F60 HydrophobicContact CB-CE2 4.01Å; F60-L62 WeakPolarHBondContact O-CG 3.41Å; F60-L62 PolarHBondContact O-N 3.38Å; F60-S78 WeakPolarHBondContact CZ-O 3.19Å; F60-N79 WeakPolarHBondContact CE1-O 3.29Å; F60-D80 HydrophobicContact CE1-CB 4.2Å
61	P	73.1	Confident	63.1	Low	98 Å²	98	51 Å²	51	64%	0.636	26%	0.256	S	S	*	.			trans	-48.9	102.6	178.9	-30.1	36.6	0	0	0	112.4
62	L	70.7	Confident	62.6	Low	28 Å²	28	49.2 Å²	49.2	15%	0.147	25%	0.249	C	C	.	.			trans	-80.7	152	175.9	-60.9	-179.1	0	0	0	109.2	P42 R47 I59 F60 D66 I95 V97	P42-L62 HydrophobicContact CB-CD2 3.95Å; R47-L62 HydrophobicContact CB-CD2 4.05Å; I59-L62 HydrophobicContact CG2-CD1 3.61Å; I59-L62 HydrophobicContact CG2-CD2 4.46Å; I59-L62 HydrophobicContact CG2-CG 3.7Å; F60-L62 WeakPolarHBondContact O-CG 3.41Å; F60-L62 PolarHBondContact O-N 3.38Å; L62-D66 WeakPolarHBondContact CA-OD2 3.3Å; L62-D66 HydrophobicContact CB-CB 4.09Å; L62-D66 HydrophobicContact CD1-CB 4.44Å; L62-D66 HydrophobicContact CD2-CB 4.06Å; L62-D66 HydrophobicContact CG-CB 4.43Å; L62-I95 HydrophobicContact CD1-CD1 4.37Å; L62-I95 HydrophobicContact CD1-CG2 3.48Å; L62-I95 VanDerWaalsContact CD1-CG2 3.48Å; L62-V97 HydrophobicContact CB-CB 4.3Å; L62-V97 HydrophobicContact CB-CG1 3.8Å; L62-V97 HydrophobicContact CB-CG2 3.52Å; L62-V97 HydrophobicContact CD1-CG2 3.66Å; L62-V97 HydrophobicContact CG-CG2 4.26Å; L62-V97 WeakPolarHBondContact O-CG1 3.06Å
63	I	69.2	Low	62.1	Low	81 Å²	81	48.1 Å²	48.1	42%	0.415	25%	0.254	S	S	.	.			trans	-104.8	161.5	170.6	56.9	171.8	0	0	0	109.6	T65 D66 V97	I63-T65 WeakPolarHBondContact CD1-OG1 3.44Å; I63-T65 VanDerWaalsContact CG1-OG1 3.29Å; I63-T65 WeakPolarHBondContact CG1-OG1 3.27Å; I63-T65 PolarHBondContact O-N 3.15Å; I63-D66 VanDerWaalsContact CG1-OD2 3.22Å; I63-D66 WeakPolarHBondContact CG1-OD2 3.18Å; I63-D66 PolarHBondContact N-OD2 3.19Å; I63-D66 WeakPolarHBondContact O-CB 3.3Å; I63-D66 PolarHBondContact O-N 3.44Å; I63-V97 WeakPolarHBondContact O-CB 3.39Å; I63-V97 WeakPolarHBondContact O-CG1 3.35Å
64	S	65.9	Low	61.5	Low	4 Å²	4	44.5 Å²	44.5	3%	0.028	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-54.6	-26.8	-174.7	58.5	0	0	0	0	114	D66 T67 T136	S64-D66 VanDerWaalsContact C-N 3.27Å; S64-D66 PolarHBondContact O-N 3.23Å; S64-T67 WeakPolarHBondContact O-CB 3.36Å; S64-T67 PolarHBondContact O-N 3.39Å; S64-T67 PolarHBondContact O-OG1 2.95Å; S64-T136 WeakPolarHBondContact O-CB 3.49Å; S64-T136 VanDerWaalsContact O-CG2 3.23Å; S64-T136 WeakPolarHBondContact O-CG2 3.34Å
65	T	66.8	Low	60.9	Low	18 Å²	18	51 Å²	51	11%	0.11	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-75.6	-11.1	177.3	50.4	0	0	0	0	114.1	F39 I63 F107	F39-T65 HydrophobicContact CD1-CG2 3.93Å; F39-T65 HydrophobicContact CE1-CG2 3.61Å; F39-T65 HydrophobicContact CZ-CG2 4.14Å; I63-T65 WeakPolarHBondContact CD1-OG1 3.44Å; I63-T65 VanDerWaalsContact CG1-OG1 3.29Å; I63-T65 WeakPolarHBondContact CG1-OG1 3.27Å; I63-T65 PolarHBondContact O-N 3.15Å; T65-F107 HydrophobicContact CG2-CD2 3.57Å; T65-F107 HydrophobicContact CG2-CE2 3.37Å; T65-F107 HydrophobicContact CG2-CZ 4.31Å
66	D	69.9	Low	60.1	Low	2 Å²	2	50.8 Å²	50.8	1%	0.011	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-88.2	12.6	168.9	-47.1	-43.5	0	0	0	111.7	P42 R47 L62 I63 S64 G68 Y70 V97	P42-D66 HydrophobicContact CG-CB 4.13Å; R47-D66 IonicContact CZ-OD1 3.88Å; R47-D66 IonicContact CZ-OD2 3.92Å; R47-D66 VanDerWaalsContact NH1-CG 3.28Å; R47-D66 IonicContact NH1-OD1 2.82Å; R47-D66 PolarHBondContact NH1-OD1 3.28Å; R47-D66 IonicContact NH1-OD2 2.76Å; R47-D66 PolarHBondContact NH1-OD2 2.81Å; R47-D66 IonicContact NH2-OD1 2.97Å; R47-D66 PolarHBondContact NH2-OD1 3.09Å; R47-D66 IonicContact NH2-OD2 3.2Å; L62-D66 WeakPolarHBondContact CA-OD2 3.3Å; L62-D66 HydrophobicContact CB-CB 4.09Å; L62-D66 HydrophobicContact CD1-CB 4.44Å; L62-D66 HydrophobicContact CD2-CB 4.06Å; L62-D66 HydrophobicContact CG-CB 4.43Å; I63-D66 VanDerWaalsContact CG1-OD2 3.22Å; I63-D66 WeakPolarHBondContact CG1-OD2 3.18Å; I63-D66 PolarHBondContact N-OD2 3.19Å; I63-D66 WeakPolarHBondContact O-CB 3.3Å; I63-D66 PolarHBondContact O-N 3.44Å; S64-D66 VanDerWaalsContact C-N 3.27Å; S64-D66 PolarHBondContact O-N 3.23Å; D66-G68 PolarHBondContact O-N 2.97Å; D66-Y70 VanDerWaalsContact C-OH 3.24Å; D66-Y70 VanDerWaalsContact CA-OH 3.32Å; D66-Y70 WeakPolarHBondContact CA-OH 3.12Å; D66-Y70 VanDerWaalsContact O-CE2 3.22Å; D66-Y70 WeakPolarHBondContact O-CE2 3.41Å; D66-Y70 PolarHBondContact O-OH 3.34Å; D66-V97 HydrophobicContact CB-CG2 4.31Å
67	T	64.9	Low	59.1	Low	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.282	C	S	.	.			trans	-65.1	124.4	167.5	-67.9	0	0	0	0	107.8	S64 I95 Y96 V97 H109	S64-T67 WeakPolarHBondContact O-CB 3.36Å; S64-T67 PolarHBondContact O-N 3.39Å; S64-T67 PolarHBondContact O-OG1 2.95Å; T67-I95 CarbonylContact C-O 3.52Å; T67-I95 VanDerWaalsContact CA-O 3.28Å; T67-I95 WeakPolarHBondContact CA-O 3.29Å; T67-Y96 HydrophobicContact CG2-CD2 3.58Å; T67-Y96 HydrophobicContact CG2-CE2 3.97Å; T67-V97 PolarHBondContact OG1-N 3.41Å; T67-V97 VanDerWaalsContact OG1-N 3.15Å; T67-H109 PolarHBondContact O-CE1 2.94Å; T67-H109 PolarHBondContact O-NE2 2.85Å
68	G	64	Low	58.1	Low	3 Å²	3	56.3 Å²	56.3	3%	0.031	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.4	-179.5	-175.7	0	0	0	0	0	115	D66 Y94 I95	D66-G68 PolarHBondContact O-N 2.97Å; G68-Y94 WeakPolarHBondContact O-CA 3.24Å; G68-Y94 WeakPolarHBondContact O-CD2 3.37Å; G68-I95 PolarHBondContact N-O 2.66Å; G68-I95 PolarHBondContact O-N 2.78Å
69	Y	58.3	Low	56.9	Low	70 Å²	70	62.4 Å²	62.4	28%	0.275	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	125.6	170	-87.8	-78.8	0	0	0	110.3	W93 Y94 K111 L134 G159	Y69-W93 CarbonylContact C-O 3.59Å; Y69-W93 WeakPolarHBondContact CA-O 3Å; Y69-Y94 HydrophobicContact CD1-CD2 4.37Å; Y69-Y94 AromaticContact CD2-CD2 3.76Å; Y69-Y94 HydrophobicContact CD2-CD2 3.76Å; Y69-Y94 HydrophobicContact CD2-CE2 4.37Å; Y69-Y94 HydrophobicContact CE1-CD2 4.17Å; Y69-Y94 HydrophobicContact CE1-CG 4.31Å; Y69-Y94 AromaticContact CE2-CD2 3.54Å; Y69-Y94 HydrophobicContact CE2-CD2 3.54Å; Y69-Y94 HydrophobicContact CE2-CE2 4.16Å; Y69-Y94 HydrophobicContact CE2-CG 4.3Å; Y69-Y94 HydrophobicContact CG-CD2 4.17Å; Y69-Y94 AromaticContact CZ-CD2 3.71Å; Y69-K111 HydrophobicContact CD2-CD 3.58Å; Y69-K111 HydrophobicContact CD2-CG 4.38Å; Y69-K111 HydrophobicContact CE2-CD 4.25Å; Y69-K111 HydrophobicContact CG-CD 4Å; Y69-K111 VanDerWaalsContact CG-CE 3.47Å; Y69-L134 HydrophobicContact CD2-CD2 4.34Å; Y69-G159 WeakPolarHBondContact CE2-O 3.45Å; Y69-G159 WeakPolarHBondContact OH-CA 3.31Å; Y69-G159 PolarHBondContact OH-O 2.95Å
70	Y	61.6	Low	55.5	Low	19 Å²	19	65.6 Å²	65.6	8%	0.075	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	122.4	178.4	-62	-79	0	0	0	109.6	P42 R43 L48 D66 R92 W93 I95	P42-Y70 HydrophobicContact CG-CD1 4.16Å; P42-Y70 HydrophobicContact CG-CE1 3.26Å; P42-Y70 HydrophobicContact CG-CE2 4.47Å; P42-Y70 VanDerWaalsContact CG-CZ 3.45Å; P42-Y70 WeakPolarHBondContact CG-OH 3.31Å; R43-Y70 HydrophobicContact CG-CD1 3.95Å; L48-Y70 HydrophobicContact CD2-CD1 3.45Å; L48-Y70 VanDerWaalsContact CD2-CD1 3.45Å; L48-Y70 HydrophobicContact CD2-CD2 3.54Å; L48-Y70 HydrophobicContact CD2-CE1 4.13Å; L48-Y70 HydrophobicContact CD2-CE2 4.19Å; L48-Y70 HydrophobicContact CD2-CG 3.1Å; D66-Y70 VanDerWaalsContact C-OH 3.24Å; D66-Y70 VanDerWaalsContact CA-OH 3.32Å; D66-Y70 WeakPolarHBondContact CA-OH 3.12Å; D66-Y70 VanDerWaalsContact O-CE2 3.22Å; D66-Y70 WeakPolarHBondContact O-CE2 3.41Å; D66-Y70 PolarHBondContact O-OH 3.34Å; Y70-R92 CarbonylContact O-C 3.57Å; Y70-R92 WeakPolarHBondContact O-CA 3.32Å; Y70-W93 PolarHBondContact N-O 3.17Å; Y70-W93 PolarHBondContact O-N 3.4Å; Y70-I95 HydrophobicContact CD2-CB 4.02Å; Y70-I95 HydrophobicContact CD2-CD1 3.71Å; Y70-I95 HydrophobicContact CD2-CG1 3.88Å; Y70-I95 HydrophobicContact CE2-CB 4.08Å; Y70-I95 HydrophobicContact CE2-CD1 4.3Å; Y70-I95 HydrophobicContact CE2-CG1 4.43Å; Y70-I95 HydrophobicContact CG-CD1 4.43Å
71	E	56.9	Low	53.9	Low	75 Å²	75	72.3 Å²	72.3	35%	0.35	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	111.7	159.2	-172.2	160.7	179	0	0	105.9	R43 R91 R92	R43-E71 WeakPolarHBondContact CD-O 3.44Å; R43-E71 PolarHBondContact NH1-O 3.41Å; E71-R91 WeakPolarHBondContact CA-O 3.06Å; E71-R92 HydrophobicContact CB-CG 4.14Å; E71-R92 HydrophobicContact CG-CG 4.18Å; E71-R92 IonicContact OE1-NH2 3.38Å; E71-R92 IonicContact OE2-CZ 3.79Å; E71-R92 VanDerWaalsContact OE2-CZ 3.3Å; E71-R92 IonicContact OE2-NE 3.68Å; E71-R92 PolarHBondContact OE2-NE 3.18Å; E71-R92 IonicContact OE2-NH2 2.77Å; E71-R92 PolarHBondContact OE2-NH2 3.19Å
72	C	53.2	Low	52.1	Low	14 Å²	14	71.2 Å²	71.2	10%	0.095	38%	0.377	C	S	.	.			trans	-97.5	125.7	179.2	-66.4	0	0	0	0	108.1	I50	I50-C72 HydrophobicContact CB-CB 4.3Å; I50-C72 HydrophobicContact CD1-CB 3.39Å; I50-C72 HydrophobicContact CG1-CB 3.54Å
73	S	48.7	Very low	50.6	Low	94 Å²	94	77 Å²	77	66%	0.657	40%	0.401	S	S	*	.			trans	-102.4	151.7	169.7	57	0	0	0	0	109.8	R75	S73-R75 PolarHBondContact O-N 3.17Å; S73-R75 VanDerWaalsContact O-N 3.08Å
74	D	43.5	Very low	49.1	Very low	97 Å²	97	78.4 Å²	78.4	52%	0.519	41%	0.406	S	S	.	.	S	Bend	trans	-57.9	104.9	-174.6	-47	-54	0	0	0	112	E52	E52-D74 HydrophobicContact CG-CB 3.86Å; E52-D74 WeakPolarHBondContact CG-OD1 3.34Å; E52-D74 VanDerWaalsContact OE1-CG 3.28Å
75	R	40.1	Very low	48	Very low	204 Å²	204	83.7 Å²	83.7	77%	0.77	43%	0.43	S	S	*	.			trans	-156.4	165.3	169	-76.5	-155.7	176.6	173.6	-1	113.5	S73	S73-R75 PolarHBondContact O-N 3.17Å; S73-R75 VanDerWaalsContact O-N 3.08Å
76	V	40.3	Very low	46.8	Very low	126 Å²	126	88.9 Å²	88.9	76%	0.764	45%	0.453	S	S	*	.			trans	-89.1	141.6	-140.2	177.2	0	0	0	0	117.5
77	S	36.3	Very low	45.5	Very low	71 Å²	71	92.1 Å²	92.1	50%	0.497	49%	0.486	S	S	.	.			trans	15	133.9	155.7	84.6	0	0	0	0	123.7
78	S	40.1	Very low	44.6	Very low	86 Å²	86	94.8 Å²	94.8	60%	0.601	50%	0.5	S	S	*	.				178.9	145.1	115.5	50.1	0	0	0	0	111.5	F60	F60-S78 WeakPolarHBondContact CZ-O 3.19Å
79	N	35.8	Very low	43.7	Very low	142 Å²	142	100.9 Å²	100.9	76%	0.759	54%	0.537	S	S	*	.			trans	-33.3	137.1	-176.1	-61.1	-19.7	0	0	0	119.6	F60	F60-N79 WeakPolarHBondContact CE1-O 3.29Å
80	D	35.9	Very low	43.1	Very low	115 Å²	115	102.8 Å²	102.8	62%	0.615	55%	0.551	S	S	*	*			trans	152.1	153.8	131.8	-78.2	-23.3	0	0	0	113.1	F60	F60-D80 HydrophobicContact CE1-CB 4.2Å
81	E	37.1	Very low	42.5	Very low	171 Å²	171	111 Å²	111	80%	0.799	58%	0.582	S	S	*	*			trans	18.7	94.5	175.5	-62.7	-169.3	168.3	0	0	118.6
82	L	34.9	Very low	42.4	Very low	75 Å²	75	114.3 Å²	114.3	39%	0.393	59%	0.591	S	S	.	*			trans	-105.6	137.5	-159.7	-106.1	134.5	0	0	0	115	H58 E84	H58-L82 WeakPolarHBondContact ND1-CD2 3.24Å; L82-E84 HydrophobicContact CB-CG 4.18Å; L82-E84 HydrophobicContact CD2-CG 3.69Å
83	F	38.9	Very low	42.8	Very low	150 Å²	150	116.2 Å²	116.2	66%	0.658	60%	0.597	S	S	*	*			trans	-102	103.4	158.9	-158	-85.3	0	0	0	108.6
84	E	38.2	Very low	43.3	Very low	110 Å²	110	114.7 Å²	114.7	51%	0.514	58%	0.577	S	S	.	*			trans	-92.9	128	-176.9	-64.7	179.9	179.2	0	0	111.2	M56 L82	M56-E84 HydrophobicContact SD-CG 4.06Å; L82-E84 HydrophobicContact CB-CG 4.18Å; L82-E84 HydrophobicContact CD2-CG 3.69Å
85	H	42.2	Very low	44.4	Very low	115 Å²	115	111.1 Å²	111.1	53%	0.532	56%	0.557	S	S	.	*			trans	-137.9	117.9	169.9	-152.4	-1.4	0	0	0	111.9	L88	H85-L88 HydrophobicContact CB-CD1 3.99Å
86	H	42.3	Very low	45.7	Very low	128 Å²	128	104.7 Å²	104.7	59%	0.593	53%	0.534	S	S	*	.			trans	-79.5	152.1	179.7	-64	-61.3	0	0	0	113.6
87	G	42.9	Very low	46.9	Very low	69 Å²	69	99.5 Å²	99.5	71%	0.711	50%	0.503	S	S	*	.			trans	94	16.7	158.8	0	0	0	0	0	116.8
88	L	44.7	Very low	48.1	Very low	57 Å²	57	102.1 Å²	102.1	30%	0.298	51%	0.507	S	S	.	.			trans	-95.6	110.8	-167.8	-60.7	162.7	0	0	0	112.2	H85 L90 W93	H85-L88 HydrophobicContact CB-CD1 3.99Å; L88-L90 VanDerWaalsContact C-N 3.29Å; L88-W93 HydrophobicContact CB-CH2 3.7Å; L88-W93 HydrophobicContact CB-CZ2 3.56Å; L88-W93 HydrophobicContact CD1-CH2 3.29Å; L88-W93 HydrophobicContact CD1-CZ2 3.64Å; L88-W93 HydrophobicContact CD1-CZ3 4.18Å; L88-W93 HydrophobicContact CD2-CH2 3.57Å; L88-W93 HydrophobicContact CD2-CZ2 4.34Å; L88-W93 HydrophobicContact CG-CH2 3.63Å; L88-W93 HydrophobicContact CG-CZ2 3.99Å
89	T	46.1	Very low	49.1	Very low	130 Å²	130	99.4 Å²	99.4	80%	0.798	49%	0.49	S	S	*	.			trans	-87.1	5.1	169.6	44.1	0	0	0	0	113.3
90	L	44.7	Very low	50.1	Low	111 Å²	111	103.3 Å²	103.3	58%	0.581	50%	0.5	S	S	*	.			trans	-84	113.9	177.1	-89.2	150.7	0	0	0	110	L88 R92 W93	L88-L90 VanDerWaalsContact C-N 3.29Å; L90-R92 VanDerWaalsContact C-N 3.33Å; L90-W93 HydrophobicContact CB-CH2 4.12Å; L90-W93 HydrophobicContact CB-CZ2 3.96Å; L90-W93 VanDerWaalsContact O-CE2 3.32Å; L90-W93 VanDerWaalsContact O-CZ2 3.3Å; L90-W93 WeakPolarHBondContact O-CZ2 3.23Å; L90-W93 PolarHBondContact O-NE1 2.89Å; L90-W93 VanDerWaalsContact O-NE1 3.09Å
91	R	50.6	Low	50.9	Low	191 Å²	191	105.6 Å²	105.6	72%	0.721	51%	0.507	S	S	*	.			trans	-78.8	-15.3	178.7	-66.1	-175.4	176.9	-174.2	-3.6	114	E71	E71-R91 WeakPolarHBondContact CA-O 3.06Å
92	R	54.7	Low	51.5	Low	145 Å²	145	103.5 Å²	103.5	55%	0.547	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.1	-175.2	-68.4	-179.3	179.5	161.3	2.5	110.5	Y70 E71 L90	Y70-R92 CarbonylContact O-C 3.57Å; Y70-R92 WeakPolarHBondContact O-CA 3.32Å; E71-R92 HydrophobicContact CB-CG 4.14Å; E71-R92 HydrophobicContact CG-CG 4.18Å; E71-R92 IonicContact OE1-NH2 3.38Å; E71-R92 IonicContact OE2-CZ 3.79Å; E71-R92 VanDerWaalsContact OE2-CZ 3.3Å; E71-R92 IonicContact OE2-NE 3.68Å; E71-R92 PolarHBondContact OE2-NE 3.18Å; E71-R92 IonicContact OE2-NH2 2.77Å; E71-R92 PolarHBondContact OE2-NH2 3.19Å; L90-R92 VanDerWaalsContact C-N 3.33Å
93	W	60.7	Low	52.2	Low	53 Å²	53	102.7 Å²	102.7	20%	0.201	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	137.1	179.8	-61.3	96.1	0	0	0	109.5	L57 Y69 Y70 L88 L90 I95	L57-W93 HydrophobicContact CD2-CD2 4.35Å; L57-W93 HydrophobicContact CD2-CG 4.42Å; Y69-W93 CarbonylContact C-O 3.59Å; Y69-W93 WeakPolarHBondContact CA-O 3Å; Y70-W93 PolarHBondContact N-O 3.17Å; Y70-W93 PolarHBondContact O-N 3.4Å; L88-W93 HydrophobicContact CB-CH2 3.7Å; L88-W93 HydrophobicContact CB-CZ2 3.56Å; L88-W93 HydrophobicContact CD1-CH2 3.29Å; L88-W93 HydrophobicContact CD1-CZ2 3.64Å; L88-W93 HydrophobicContact CD1-CZ3 4.18Å; L88-W93 HydrophobicContact CD2-CH2 3.57Å; L88-W93 HydrophobicContact CD2-CZ2 4.34Å; L88-W93 HydrophobicContact CG-CH2 3.63Å; L88-W93 HydrophobicContact CG-CZ2 3.99Å; L90-W93 HydrophobicContact CB-CH2 4.12Å; L90-W93 HydrophobicContact CB-CZ2 3.96Å; L90-W93 VanDerWaalsContact O-CE2 3.32Å; L90-W93 VanDerWaalsContact O-CZ2 3.3Å; L90-W93 WeakPolarHBondContact O-CZ2 3.23Å; L90-W93 PolarHBondContact O-NE1 2.89Å; L90-W93 VanDerWaalsContact O-NE1 3.09Å; W93-I95 HydrophobicContact CB-CG1 4.14Å
94	Y	60.2	Low	52.8	Low	62 Å²	62	103.5 Å²	103.5	24%	0.243	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	115.7	160.2	-178.6	-111.7	0	0	0	107	G68 Y69 Y96 L134 P158	G68-Y94 WeakPolarHBondContact O-CA 3.24Å; G68-Y94 WeakPolarHBondContact O-CD2 3.37Å; Y69-Y94 HydrophobicContact CD1-CD2 4.37Å; Y69-Y94 AromaticContact CD2-CD2 3.76Å; Y69-Y94 HydrophobicContact CD2-CD2 3.76Å; Y69-Y94 HydrophobicContact CD2-CE2 4.37Å; Y69-Y94 HydrophobicContact CE1-CD2 4.17Å; Y69-Y94 HydrophobicContact CE1-CG 4.31Å; Y69-Y94 AromaticContact CE2-CD2 3.54Å; Y69-Y94 HydrophobicContact CE2-CD2 3.54Å; Y69-Y94 HydrophobicContact CE2-CE2 4.16Å; Y69-Y94 HydrophobicContact CE2-CG 4.3Å; Y69-Y94 HydrophobicContact CG-CD2 4.17Å; Y69-Y94 AromaticContact CZ-CD2 3.71Å; Y94-Y96 HydrophobicContact CE1-CD2 4.38Å; Y94-L134 HydrophobicContact CE2-CD2 3.7Å; Y94-P158 HydrophobicContact CE1-CB 4.26Å
95	I	66.1	Low	53.7	Low	22 Å²	22	103.5 Å²	103.5	11%	0.113	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	122.7	177.8	-56.5	-179	0	0	0	107.2	L48 L62 T67 G68 Y70 W93 V97	L48-I95 HydrophobicContact CD1-CD1 3.34Å; L48-I95 HydrophobicContact CD2-CD1 3.5Å; L48-I95 HydrophobicContact CG-CD1 4.06Å; L62-I95 HydrophobicContact CD1-CD1 4.37Å; L62-I95 HydrophobicContact CD1-CG2 3.48Å; L62-I95 VanDerWaalsContact CD1-CG2 3.48Å; T67-I95 CarbonylContact C-O 3.52Å; T67-I95 VanDerWaalsContact CA-O 3.28Å; T67-I95 WeakPolarHBondContact CA-O 3.29Å; G68-I95 PolarHBondContact N-O 2.66Å; G68-I95 PolarHBondContact O-N 2.78Å; Y70-I95 HydrophobicContact CD2-CB 4.02Å; Y70-I95 HydrophobicContact CD2-CD1 3.71Å; Y70-I95 HydrophobicContact CD2-CG1 3.88Å; Y70-I95 HydrophobicContact CE2-CB 4.08Å; Y70-I95 HydrophobicContact CE2-CD1 4.3Å; Y70-I95 HydrophobicContact CE2-CG1 4.43Å; Y70-I95 HydrophobicContact CG-CD1 4.43Å; W93-I95 HydrophobicContact CB-CG1 4.14Å; I95-V97 HydrophobicContact CG2-CG2 3.86Å
96	Y	66.5	Low	54.2	Low	69 Å²	69	98.5 Å²	98.5	27%	0.271	46%	0.464	S	S	.	.			trans	-112.5	113.1	176	-176.3	-97.1	0	0	0	108.2	T67 Y94 E98 T136 S137 C138	T67-Y96 HydrophobicContact CG2-CD2 3.58Å; T67-Y96 HydrophobicContact CG2-CE2 3.97Å; Y94-Y96 HydrophobicContact CE1-CD2 4.38Å; Y96-E98 HydrophobicContact CE1-CB 4.12Å; Y96-T136 PolarHBondContact OH-O 3.41Å; Y96-S137 VanDerWaalsContact OH-C 3.3Å; Y96-S137 WeakPolarHBondContact OH-CA 3.31Å; Y96-C138 HydrophobicContact CE1-CB 3.8Å; Y96-C138 HydrophobicContact CE2-CB 4.3Å; Y96-C138 PolarHBondContact OH-N 2.65Å
97	V	65.3	Low	55	Low	18 Å²	18	93.8 Å²	93.8	11%	0.109	44%	0.442	C	S	.	.			trans	-102	101.3	-173.1	-172.9	0	0	0	0	109.1	L62 I63 D66 T67 I95 A99	L62-V97 HydrophobicContact CB-CB 4.3Å; L62-V97 HydrophobicContact CB-CG1 3.8Å; L62-V97 HydrophobicContact CB-CG2 3.52Å; L62-V97 HydrophobicContact CD1-CG2 3.66Å; L62-V97 HydrophobicContact CG-CG2 4.26Å; L62-V97 WeakPolarHBondContact O-CG1 3.06Å; I63-V97 WeakPolarHBondContact O-CB 3.39Å; I63-V97 WeakPolarHBondContact O-CG1 3.35Å; D66-V97 HydrophobicContact CB-CG2 4.31Å; T67-V97 PolarHBondContact OG1-N 3.41Å; T67-V97 VanDerWaalsContact OG1-N 3.15Å; I95-V97 HydrophobicContact CG2-CG2 3.86Å; V97-A99 PolarHBondContact O-N 3.17Å
98	E	63.3	Low	55.4	Low	125 Å²	125	90.5 Å²	90.5	58%	0.584	41%	0.408	S	S	*	.			trans	-82	115.4	173.2	-166.4	170.1	-160.9	0	0	109.8	Y96	Y96-E98 HydrophobicContact CE1-CB 4.12Å
99	A	59.9	Low	55.9	Low	30 Å²	30	90.1 Å²	90.1	25%	0.248	41%	0.405	C	S	.	.			trans	-73.6	129.3	173.2	0	0	0	0	0	110	V97 Q101 N103	V97-A99 PolarHBondContact O-N 3.17Å; A99-Q101 VanDerWaalsContact C-N 3.34Å; A99-Q101 CarbonylContact C-O 3.59Å; A99-Q101 VanDerWaalsContact C-O 3.31Å; A99-Q101 WeakPolarHBondContact CB-O 3.3Å; A99-Q101 CarbonylContact O-C 3.31Å; A99-Q101 PolarHBondContact O-N 2.87Å; A99-N103 HydrophobicContact CB-CB 3.82Å
100	K	57	Low	56	Low	223 Å²	223	85.9 Å²	85.9	97%	0.97	37%	0.374	S	S	*	.	S	Bend	trans	-59.6	-41.8	177.3	-76.4	-175.5	178.2	175.5	0	112.8
101	Q	52.5	Low	56.1	Low	164 Å²	164	84.3 Å²	84.3	77%	0.766	36%	0.363	S	S	*	.	S	Bend	trans	-79.2	133.3	164.3	-69.7	-177.1	-8.8	0	0	106.3	A99 N103	A99-Q101 VanDerWaalsContact C-N 3.34Å; A99-Q101 CarbonylContact C-O 3.59Å; A99-Q101 VanDerWaalsContact C-O 3.31Å; A99-Q101 WeakPolarHBondContact CB-O 3.3Å; A99-Q101 CarbonylContact O-C 3.31Å; A99-Q101 PolarHBondContact O-N 2.87Å; Q101-N103 PolarHBondContact O-N 3.44Å
102	E	50.3	Low	55.8	Low	126 Å²	126	79.9 Å²	79.9	59%	0.589	35%	0.353	S	S	*	.			trans	-53.5	84	170.4	-69.5	-176.2	163.2	0	0	108.8	R104 R139	E102-R104 WeakPolarHBondContact O-CG 3.31Å; E102-R104 PolarHBondContact O-N 2.78Å; E102-R139 IonicContact OE1-CZ 2.85Å; E102-R139 IonicContact OE1-NH1 3.95Å; E102-R139 PolarHBondContact OE1-NH1 2.8Å
103	N	50.2	Low	54.9	Low	59 Å²	59	76 Å²	76	32%	0.316	35%	0.353	S	S	.	.			trans	-67.7	101.5	169.3	-99.6	-22.6	0	0	0	102.6	A99 Q101 R105	A99-N103 HydrophobicContact CB-CB 3.82Å; Q101-N103 PolarHBondContact O-N 3.44Å; N103-R105 HydrophobicContact CB-CG 4.33Å; N103-R105 PolarHBondContact O-N 3.09Å
104	R	51.1	Low	53.8	Low	167 Å²	167	78.3 Å²	78.3	63%	0.63	38%	0.383	S	S	*	.			trans	-64.5	24.4	176.6	-60.2	-179	176.5	179.3	-2.2	111.7	E102 R191	E102-R104 WeakPolarHBondContact O-CG 3.31Å; E102-R104 PolarHBondContact O-N 2.78Å; R104-R191 WeakPolarHBondContact O-CD 3.3Å; R104-R191 PolarHBondContact O-NH1 3.05Å
105	R	56.6	Low	52.4	Low	110 Å²	110	80.8 Å²	80.8	42%	0.415	40%	0.4	S	S	.	.			trans	-91.8	112.3	-175.9	-64.2	-164.9	-171.8	-171.5	-2.9	107	N103 F107 T136	N103-R105 HydrophobicContact CB-CG 4.33Å; N103-R105 PolarHBondContact O-N 3.09Å; R105-F107 HydrophobicContact CB-CD2 3.9Å; R105-F107 HydrophobicContact CB-CE2 3.48Å; R105-F107 VanDerWaalsContact CB-CE2 3.48Å; R105-F107 HydrophobicContact CB-CZ 4.26Å; R105-F107 HydrophobicContact CG-CE2 3.98Å; R105-F107 HydrophobicContact CG-CZ 4.45Å; R105-T136 PolarHBondContact O-OG1 3.23Å
106	I	53	Low	50.8	Low	10 Å²	10	88.2 Å²	88.2	5%	0.051	43%	0.432	C	S	.	.			trans	-101.4	111.1	168.5	-47.7	176.7	0	0	0	104.2	V135 A186 I188 R191 D193	I106-V135 HydrophobicContact CG2-CG1 4.31Å; I106-A186 HydrophobicContact CG2-CB 3.4Å; I106-I188 HydrophobicContact CD1-CB 3.6Å; I106-I188 HydrophobicContact CD1-CD1 4.14Å; I106-I188 HydrophobicContact CD1-CG1 3.7Å; I106-I188 HydrophobicContact CG1-CB 3.95Å; I106-I188 HydrophobicContact CG1-CD1 3.56Å; I106-I188 HydrophobicContact CG1-CG1 3.71Å; I106-R191 HydrophobicContact CD1-CB 3.56Å; I106-R191 WeakPolarHBondContact CD1-O 3.38Å; I106-R191 HydrophobicContact CG1-CB 4.38Å; I106-D193 HydrophobicContact CB-CB 4.21Å; I106-D193 HydrophobicContact CG2-CB 3.87Å
107	F	59.4	Low	49	Very low	29 Å²	29	91.4 Å²	91.4	13%	0.127	45%	0.447	C	S	.	.			trans	-120.4	132.9	167.1	-60.6	-77.5	0	0	0	108.7	Y36 F39 T65 R105 V135 T136 D193	Y36-F107 HydrophobicContact CE1-CB 4.4Å; Y36-F107 HydrophobicContact CE1-CD1 4.38Å; F39-F107 HydrophobicContact CE1-CZ 4.38Å; F39-F107 HydrophobicContact CE2-CE1 4.26Å; F39-F107 HydrophobicContact CE2-CZ 4.46Å; F39-F107 AromaticContact CZ-CE1 3.86Å; F39-F107 HydrophobicContact CZ-CE1 3.86Å; F39-F107 HydrophobicContact CZ-CE2 4.17Å; F39-F107 AromaticContact CZ-CZ 3.65Å; F39-F107 HydrophobicContact CZ-CZ 3.65Å; T65-F107 HydrophobicContact CG2-CD2 3.57Å; T65-F107 HydrophobicContact CG2-CE2 3.37Å; T65-F107 HydrophobicContact CG2-CZ 4.31Å; R105-F107 HydrophobicContact CB-CD2 3.9Å; R105-F107 HydrophobicContact CB-CE2 3.48Å; R105-F107 VanDerWaalsContact CB-CE2 3.48Å; R105-F107 HydrophobicContact CB-CZ 4.26Å; R105-F107 HydrophobicContact CG-CE2 3.98Å; R105-F107 HydrophobicContact CG-CZ 4.45Å; F107-V135 WeakPolarHBondContact O-CA 3.47Å; F107-T136 HydrophobicContact CB-CG2 3.77Å; F107-T136 HydrophobicContact CD2-CG2 4.02Å; F107-T136 HydrophobicContact CG-CG2 4.41Å; F107-T136 PolarHBondContact N-OG1 3.32Å; F107-T136 VanDerWaalsContact N-OG1 3.09Å; F107-T136 PolarHBondContact O-N 3.43Å; F107-D193 WeakPolarHBondContact CA-OD2 3.32Å
108	L	51.4	Low	47.3	Very low	0 Å²	0	93.6 Å²	93.6	0%	0	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	113.1	170.6	-87.3	161.5	0	0	0	109.8	Y36 C133 L134 V135 C184 A186 D193 L195	Y36-L108 WeakPolarHBondContact CE1-O 3.27Å; Y36-L108 PolarHBondContact OH-O 3.08Å; L108-C133 HydrophobicContact CD2-CB 3.64Å; L108-L134 CarbonylContact C-O 3.59Å; L108-L134 VanDerWaalsContact CA-O 3.24Å; L108-L134 WeakPolarHBondContact CA-O 3.26Å; L108-V135 HydrophobicContact CD2-CG2 3.41Å; L108-V135 VanDerWaalsContact CD2-CG2 3.41Å; L108-V135 HydrophobicContact CG-CG2 4.07Å; L108-C184 HydrophobicContact CD1-CB 4.44Å; L108-C184 VanDerWaalsContact CD1-O 3.26Å; L108-C184 WeakPolarHBondContact CD1-O 3.22Å; L108-C184 HydrophobicContact CD2-CB 4.06Å; L108-A186 HydrophobicContact CD1-CB 3.55Å; L108-A186 HydrophobicContact CD2-CB 4.03Å; L108-A186 HydrophobicContact CG-CB 3.63Å; L108-D193 HydrophobicContact CD1-CB 4.26Å; L108-D193 WeakPolarHBondContact CD1-O 3.12Å; L108-D193 PolarHBondContact N-OD2 3.08Å; L108-D193 VanDerWaalsContact N-OD2 3.11Å; L108-L195 HydrophobicContact CB-CB 3.9Å; L108-L195 HydrophobicContact CB-CD2 4.29Å; L108-L195 HydrophobicContact CD1-CB 4.29Å
109	H	55	Low	46.1	Very low	48 Å²	48	91.8 Å²	91.8	22%	0.222	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	149.8	176	62.5	128.1	0	0	0	111.9	T67 L134	T67-H109 PolarHBondContact O-CE1 2.94Å; T67-H109 PolarHBondContact O-NE2 2.85Å; H109-L134 WeakPolarHBondContact CD2-CB 3.03Å; H109-L134 PolarHBondContact CD2-O 3.19Å; H109-L134 WeakPolarHBondContact CE1-CD1 3.33Å; H109-L134 PolarHBondContact N-O 2.93Å; H109-L134 WeakPolarHBondContact NE2-CB 3Å; H109-L134 WeakPolarHBondContact O-CB 3.22Å; H109-L134 PolarHBondContact O-N 2.78Å
110	W	48.7	Very low	45	Very low	42 Å²	42	92.3 Å²	92.3	16%	0.159	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	144.5	172.3	-90.7	90.7	0	0	0	110.4	H119 I121 I131 L195 F197	W110-H119 HydrophobicContact CD2-CB 4.22Å; W110-H119 AromaticContact CD2-CE1 3.81Å; W110-H119 AromaticContact CD2-CG 3.74Å; W110-H119 AromaticContact CD2-ND1 3.37Å; W110-H119 HydrophobicContact CE3-CB 3.97Å; W110-H119 AromaticContact CE3-CG 3.76Å; W110-H119 AromaticContact CE3-ND1 3.23Å; W110-H119 AromaticContact CG-CE1 3.6Å; W110-H119 AromaticContact CG-ND1 3.69Å; W110-H119 HydrophobicContact CH2-CB 3.77Å; W110-H119 HydrophobicContact CZ2-CB 4.06Å; W110-H119 HydrophobicContact CZ3-CB 3.71Å; W110-H119 AromaticContact CZ3-ND1 3.87Å; W110-I121 HydrophobicContact CH2-CD1 3.7Å; W110-I121 HydrophobicContact CH2-CG1 4.38Å; W110-I121 HydrophobicContact CZ3-CD1 3.78Å; W110-I121 HydrophobicContact CZ3-CG1 4.2Å; W110-I131 HydrophobicContact CH2-CG2 4.38Å; W110-L195 HydrophobicContact CG-CD2 4.09Å; W110-L195 VanDerWaalsContact NE1-CD2 3.33Å; W110-F197 HydrophobicContact CH2-CB 4.42Å; W110-F197 HydrophobicContact CH2-CD2 4.29Å; W110-F197 HydrophobicContact CH2-CG 4.31Å; W110-F197 HydrophobicContact CZ2-CB 3.43Å; W110-F197 VanDerWaalsContact CZ2-CB 3.43Å; W110-F197 AromaticContact CZ2-CD1 3.76Å; W110-F197 HydrophobicContact CZ2-CD1 3.76Å; W110-F197 AromaticContact CZ2-CD2 3.83Å; W110-F197 HydrophobicContact CZ2-CD2 3.83Å; W110-F197 HydrophobicContact CZ2-CE1 4.44Å; W110-F197 HydrophobicContact CZ2-CE2 4.5Å; W110-F197 AromaticContact CZ2-CG 3.42Å; W110-F197 HydrophobicContact CZ2-CG 3.42Å; W110-F197 VanDerWaalsContact CZ2-CG 3.42Å
111	K	46.3	Very low	44.4	Very low	78 Å²	78	83.5 Å²	83.5	34%	0.339	42%	0.416	S	S	.	.			trans	-77.4	120.1	165	-177.8	-178.7	-176.9	165.9	0	109.7	Y69 L134	Y69-K111 HydrophobicContact CD2-CD 3.58Å; Y69-K111 HydrophobicContact CD2-CG 4.38Å; Y69-K111 HydrophobicContact CE2-CD 4.25Å; Y69-K111 HydrophobicContact CG-CD 4Å; Y69-K111 VanDerWaalsContact CG-CE 3.47Å; K111-L134 HydrophobicContact CB-CD1 4.2Å
112	N	43.5	Very low	43.8	Very low	97 Å²	97	79.1 Å²	79.1	52%	0.519	41%	0.408	S	S	.	.			trans	-107.9	100.1	168.2	-173.8	-9.1	0	0	0	108.9	A114 D115	N112-A114 PolarHBondContact OD1-N 3.13Å; N112-D115 PolarHBondContact ND2-O 3.12Å; N112-D115 PolarHBondContact OD1-N 2.83Å; N112-D115 PolarHBondContact OD1-O 3.4Å
113	A	36.7	Very low	43.4	Very low	65 Å²	65	73.5 Å²	73.5	54%	0.537	38%	0.382	S	S	.	.	S	Bend	trans	-84.4	-17	178.9	0	0	0	0	0	113.4
114	A	36.9	Very low	43.1	Very low	100 Å²	100	73.8 Å²	73.8	83%	0.826	39%	0.387	S	S	*	.	S	Bend	trans	-169.5	-3.3	-177.3	0	0	0	0	0	116.6	N112	N112-A114 PolarHBondContact OD1-N 3.13Å
115	D	31.4	Very low	42.8	Very low	114 Å²	114	71.7 Å²	71.7	61%	0.61	38%	0.379	S	S	*	.			trans	-135.6	127.9	-164.3	-144.5	-23.3	0	0	0	114.3	N112 F117	N112-D115 PolarHBondContact ND2-O 3.12Å; N112-D115 PolarHBondContact OD1-N 2.83Å; N112-D115 PolarHBondContact OD1-O 3.4Å; D115-F117 PolarHBondContact O-N 2.92Å
116	K	31.2	Very low	42.6	Very low	179 Å²	179	71.5 Å²	71.5	78%	0.778	39%	0.394	S	S	*	.	S	Bend	trans	-80.4	0.6	-176.1	-78.5	-175.8	175.5	-178.8	0	113.4
117	F	29.8	Very low	42.9	Very low	136 Å²	136	76.4 Å²	76.4	60%	0.596	42%	0.417	S	S	*	.	S	Bend	trans	-145.3	133.3	-173.6	-64.1	-81	0	0	0	112.6	D115 L261	D115-F117 PolarHBondContact O-N 2.92Å; F117-L261 HydrophobicContact CB-CD1 4.3Å; F117-L261 HydrophobicContact CD1-CD1 3.61Å; F117-L261 HydrophobicContact CE1-CD1 4.37Å; F117-L261 HydrophobicContact CG-CD1 4.29Å
118	S	30.2	Very low	43.1	Very low	63 Å²	63	75.4 Å²	75.4	44%	0.441	42%	0.415	S	S	.	.			trans	68.7	105.3	161.2	74.8	0	0	0	0	117.6	L120	S118-L120 PolarHBondContact O-N 3.41Å
119	H	37.1	Very low	43.7	Very low	88 Å²	88	75.9 Å²	75.9	41%	0.407	42%	0.42	S	S	.	.			trans	-76.2	52	-176.8	-61.3	-72.1	0	0	0	114.1	W110 I121	W110-H119 HydrophobicContact CD2-CB 4.22Å; W110-H119 AromaticContact CD2-CE1 3.81Å; W110-H119 AromaticContact CD2-CG 3.74Å; W110-H119 AromaticContact CD2-ND1 3.37Å; W110-H119 HydrophobicContact CE3-CB 3.97Å; W110-H119 AromaticContact CE3-CG 3.76Å; W110-H119 AromaticContact CE3-ND1 3.23Å; W110-H119 AromaticContact CG-CE1 3.6Å; W110-H119 AromaticContact CG-ND1 3.69Å; W110-H119 HydrophobicContact CH2-CB 3.77Å; W110-H119 HydrophobicContact CZ2-CB 4.06Å; W110-H119 HydrophobicContact CZ3-CB 3.71Å; W110-H119 AromaticContact CZ3-ND1 3.87Å; H119-I121 PolarHBondContact O-N 2.82Å; H119-I121 VanDerWaalsContact O-N 3.17Å
120	L	37.5	Very low	44.2	Very low	41 Å²	41	78.9 Å²	78.9	22%	0.215	43%	0.43	C	S	.	.			trans	-82.8	93.7	179.9	-53.2	-174.3	0	0	0	110.1	S118 A122 L200 L257	S118-L120 PolarHBondContact O-N 3.41Å; L120-A122 PolarHBondContact O-N 3.38Å; L120-A122 VanDerWaalsContact O-N 3.09Å; L120-L200 HydrophobicContact CD1-CD1 3.72Å; L120-L200 HydrophobicContact CD2-CB 3.74Å; L120-L200 HydrophobicContact CD2-CD1 3.25Å; L120-L200 HydrophobicContact CD2-CG 3.32Å; L120-L200 HydrophobicContact CG-CD1 4.09Å; L120-L200 HydrophobicContact CG-CG 4.49Å; L120-L257 HydrophobicContact CD1-CD1 3.85Å
121	I	42.9	Very low	45.2	Very low	37 Å²	37	76.9 Å²	76.9	19%	0.19	42%	0.423	C	S	.	.			trans	-75.4	101.2	168	-60	162.7	0	0	0	106.8	W110 H119 I123 Y130 I131	W110-I121 HydrophobicContact CH2-CD1 3.7Å; W110-I121 HydrophobicContact CH2-CG1 4.38Å; W110-I121 HydrophobicContact CZ3-CD1 3.78Å; W110-I121 HydrophobicContact CZ3-CG1 4.2Å; H119-I121 PolarHBondContact O-N 2.82Å; H119-I121 VanDerWaalsContact O-N 3.17Å; I121-I123 HydrophobicContact CG2-CG1 4.12Å; I121-I123 PolarHBondContact O-N 2.94Å; I121-Y130 WeakPolarHBondContact CD1-O 3.44Å; I121-I131 HydrophobicContact CD1-CB 4.05Å; I121-I131 HydrophobicContact CD1-CG1 3.75Å; I121-I131 HydrophobicContact CD1-CG2 4.12Å
122	A	39.9	Very low	46.2	Very low	72 Å²	72	74 Å²	74	60%	0.595	41%	0.411	S	S	*	.			trans	-62.7	106.4	172.3	0	0	0	0	0	109.1	L120 P124	L120-A122 PolarHBondContact O-N 3.38Å; L120-A122 VanDerWaalsContact O-N 3.09Å; A122-P124 WeakPolarHBondContact O-CD 3.35Å
123	I	43.4	Very low	47.5	Very low	9 Å²	9	69.4 Å²	69.4	5%	0.046	39%	0.386	C	S	.	.			trans	-95.9	111	173.8	-61.4	-177.9	0	0	0	107.4	I121 R125 G128 V164 L199	I121-I123 HydrophobicContact CG2-CG1 4.12Å; I121-I123 PolarHBondContact O-N 2.94Å; I123-R125 PolarHBondContact O-N 3.17Å; I123-G128 VanDerWaalsContact CG2-CA 3.43Å; I123-V164 HydrophobicContact CD1-CB 4.49Å; I123-L199 HydrophobicContact CD1-CD1 4.1Å; I123-L199 HydrophobicContact CD1-CD2 4.46Å
124	P	44.3	Very low	48.9	Very low	64 Å²	64	66.4 Å²	66.4	42%	0.416	36%	0.361	S	S	.	.			trans	-58.9	126.2	165.9	-14.3	26.7	0	0	0	107.8	A122 S126 Q127 G128	A122-P124 WeakPolarHBondContact O-CD 3.35Å; P124-S126 PolarHBondContact O-N 3.32Å; P124-Q127 HydrophobicContact CB-CB 4.19Å; P124-Q127 HydrophobicContact CG-CB 4.29Å; P124-Q127 PolarHBondContact O-N 2.82Å; P124-G128 PolarHBondContact O-N 2.83Å
125	R	44.7	Very low	50.6	Low	124 Å²	124	61.9 Å²	61.9	47%	0.468	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.7	-38.1	-177.8	-67	-172.7	104.9	168	12.7	112.9	I123 E166	I123-R125 PolarHBondContact O-N 3.17Å; R125-E166 WeakPolarHBondContact CB-OE2 3.27Å; R125-E166 WeakPolarHBondContact CD-OE2 3.24Å; R125-E166 WeakPolarHBondContact CG-OE2 3.35Å; R125-E166 IonicContact CZ-OE1 3.36Å; R125-E166 IonicContact CZ-OE2 3.43Å; R125-E166 IonicContact NE-OE1 2.75Å; R125-E166 PolarHBondContact NE-OE1 2.84Å; R125-E166 VanDerWaalsContact NE-OE1 3.16Å; R125-E166 IonicContact NE-OE2 2.62Å; R125-E166 PolarHBondContact NE-OE2 3.46Å; R125-E166 IonicContact NH2-OE1 2.79Å; R125-E166 PolarHBondContact NH2-OE1 3.31Å; R125-E166 IonicContact NH2-OE2 3.51Å
126	S	52	Low	52.3	Low	106 Å²	106	56.7 Å²	56.7	74%	0.741	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-21.2	-177.1	60.4	0	0	0	0	115.3	P124	P124-S126 PolarHBondContact O-N 3.32Å
127	Q	58.1	Low	54.2	Low	112 Å²	112	49.1 Å²	49.1	52%	0.523	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-25.8	-168.6	-67.6	-172.8	1.8	0	0	113.8	P124 F163	P124-Q127 HydrophobicContact CB-CB 4.19Å; P124-Q127 HydrophobicContact CG-CB 4.29Å; P124-Q127 PolarHBondContact O-N 2.82Å; Q127-F163 WeakPolarHBondContact O-CZ 3.15Å
128	G	63.6	Low	56.1	Low	9 Å²	9	45.9 Å²	45.9	9%	0.093	26%	0.259	C	S	.	.			trans	76.5	173.2	-168.8	0	0	0	0	0	112	I123 P124 V164	I123-G128 VanDerWaalsContact CG2-CA 3.43Å; P124-G128 PolarHBondContact O-N 2.83Å; G128-V164 CarbonylContact C-O 3.58Å; G128-V164 WeakPolarHBondContact CA-O 3.34Å
129	G	63.6	Low	58.3	Low	10 Å²	10	50.5 Å²	50.5	10%	0.103	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	165	-179.9	0	0	0	0	0	111.3	V164	G129-V164 PolarHBondContact N-O 2.94Å; G129-V164 PolarHBondContact O-N 2.67Å
130	Y	66	Low	60.3	Low	111 Å²	111	47 Å²	47	44%	0.435	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	127.4	178.8	-74.7	-86.1	0	0	0	110.6	I121 R160 F162 F163	I121-Y130 WeakPolarHBondContact CD1-O 3.44Å; Y130-R160 WeakPolarHBondContact CB-O 3.31Å; Y130-R160 HydrophobicContact CD1-CB 4.15Å; Y130-R160 VanDerWaalsContact CD1-O 3.23Å; Y130-R160 WeakPolarHBondContact CD1-O 3.24Å; Y130-R160 HydrophobicContact CE1-CB 4.1Å; Y130-F162 CarbonylContact C-O 3.57Å; Y130-F162 VanDerWaalsContact CA-O 3.24Å; Y130-F162 WeakPolarHBondContact CA-O 3.48Å; Y130-F163 HydrophobicContact CD1-CB 3.96Å; Y130-F163 HydrophobicContact CD1-CD2 4.08Å; Y130-F163 AromaticContact CD2-CD2 3.76Å; Y130-F163 HydrophobicContact CD2-CD2 3.76Å; Y130-F163 HydrophobicContact CD2-CE2 4.28Å; Y130-F163 HydrophobicContact CE1-CB 3.65Å; Y130-F163 AromaticContact CE1-CD2 3.84Å; Y130-F163 HydrophobicContact CE1-CD2 3.84Å; Y130-F163 HydrophobicContact CE1-CG 4.17Å; Y130-F163 AromaticContact CE2-CD2 3.47Å; Y130-F163 HydrophobicContact CE2-CD2 3.47Å; Y130-F163 VanDerWaalsContact CE2-CD2 3.47Å; Y130-F163 AromaticContact CE2-CE2 3.88Å; Y130-F163 HydrophobicContact CE2-CE2 3.88Å; Y130-F163 HydrophobicContact CE2-CG 4.5Å; Y130-F163 HydrophobicContact CG-CD2 4.06Å; Y130-F163 AromaticContact CZ-CD2 3.52Å
131	I	69.8	Low	62.6	Low	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	102.4	169.1	-53.5	-168.7	0	0	0	107.3	W110 I121 L144 F146 G161 F162 V164 F197	W110-I131 HydrophobicContact CH2-CG2 4.38Å; I121-I131 HydrophobicContact CD1-CB 4.05Å; I121-I131 HydrophobicContact CD1-CG1 3.75Å; I121-I131 HydrophobicContact CD1-CG2 4.12Å; I131-L144 HydrophobicContact CB-CD2 4.39Å; I131-L144 HydrophobicContact CD1-CD2 4.18Å; I131-L144 HydrophobicContact CG2-CD1 4.23Å; I131-F146 HydrophobicContact CD1-CE2 3.99Å; I131-F146 HydrophobicContact CD1-CZ 3.57Å; I131-G161 CarbonylContact O-C 3.55Å; I131-G161 VanDerWaalsContact O-CA 3.31Å; I131-G161 WeakPolarHBondContact O-CA 3.26Å; I131-F162 PolarHBondContact N-O 3.01Å; I131-F162 PolarHBondContact O-N 2.86Å; I131-V164 HydrophobicContact CB-CG2 4.44Å; I131-V164 HydrophobicContact CD1-CB 4.35Å; I131-V164 HydrophobicContact CD1-CG2 3.85Å; I131-V164 HydrophobicContact CG1-CB 4.48Å; I131-V164 HydrophobicContact CG1-CG2 3.9Å; I131-F197 HydrophobicContact CD1-CE2 4.08Å; I131-F197 HydrophobicContact CD1-CZ 4.19Å; I131-F197 HydrophobicContact CG2-CE1 4.34Å; I131-F197 HydrophobicContact CG2-CE2 4.22Å; I131-F197 HydrophobicContact CG2-CZ 3.84Å
132	D	67.8	Low	64.7	Low	17 Å²	17	47.6 Å²	47.6	9%	0.091	26%	0.263	C	S	.	.			trans	-97.7	116.1	-179.5	-167.8	19.7	0	0	0	111.1	G161	D132-G161 PolarHBondContact OD1-N 2.87Å
133	C	70.2	Confident	67.1	Low	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	102.2	173.4	-66.8	0	0	0	0	106	L108 V135 Y156 C184 L195	L108-C133 HydrophobicContact CD2-CB 3.64Å; C133-V135 PolarHBondContact O-N 3.43Å; C133-Y156 VanDerWaalsContact O-CE2 3.26Å; C133-Y156 WeakPolarHBondContact O-CE2 3.43Å; C133-Y156 PolarHBondContact O-OH 3.42Å; C133-C184 HydrophobicContact CB-CB 3.52Å; C133-C184 WeakPolarHBondContact CB-SG 3.4Å; C133-C184 WeakPolarHBondContact SG-CB 3.34Å; C133-C184 CovalentContact SG-SG 2.01Å; C133-C184 PolarHBondContact SG-SG 2.99Å; C133-L195 HydrophobicContact CB-CD2 4.48Å
134	L	65.6	Low	69.1	Low	3 Å²	3	44.2 Å²	44.2	2%	0.016	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	127.3	-173.1	-67.2	168.3	0	0	0	109.4	Y69 Y94 L108 H109 K111	Y69-L134 HydrophobicContact CD2-CD2 4.34Å; Y94-L134 HydrophobicContact CE2-CD2 3.7Å; L108-L134 CarbonylContact C-O 3.59Å; L108-L134 VanDerWaalsContact CA-O 3.24Å; L108-L134 WeakPolarHBondContact CA-O 3.26Å; H109-L134 WeakPolarHBondContact CD2-CB 3.03Å; H109-L134 PolarHBondContact CD2-O 3.19Å; H109-L134 WeakPolarHBondContact CE1-CD1 3.33Å; H109-L134 PolarHBondContact N-O 2.93Å; H109-L134 WeakPolarHBondContact NE2-CB 3Å; H109-L134 WeakPolarHBondContact O-CB 3.22Å; H109-L134 PolarHBondContact O-N 2.78Å; K111-L134 HydrophobicContact CB-CD1 4.2Å
135	V	72.6	Confident	71.2	Confident	5 Å²	5	42 Å²	42	3%	0.03	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.3	178.5	-172.8	0	0	0	0	110.5	I106 F107 L108 C133 S137 A140 V142 A186	I106-V135 HydrophobicContact CG2-CG1 4.31Å; F107-V135 WeakPolarHBondContact O-CA 3.47Å; L108-V135 HydrophobicContact CD2-CG2 3.41Å; L108-V135 VanDerWaalsContact CD2-CG2 3.41Å; L108-V135 HydrophobicContact CG-CG2 4.07Å; C133-V135 PolarHBondContact O-N 3.43Å; V135-S137 PolarHBondContact O-N 3.35Å; V135-S137 VanDerWaalsContact O-N 3.16Å; V135-A140 HydrophobicContact CG1-CB 3.58Å; V135-V142 HydrophobicContact CB-CG2 4.32Å; V135-V142 HydrophobicContact CG2-CG1 4.15Å; V135-V142 HydrophobicContact CG2-CG2 3.65Å; V135-A186 HydrophobicContact CG1-CB 3.98Å; V135-A186 HydrophobicContact CG2-CB 3.9Å
136	T	67.7	Low	72.9	Confident	4 Å²	4	36.1 Å²	36.1	3%	0.025	20%	0.198	C	C	.	.	S	Bend	trans	-70.5	-8	-177.1	54.4	0	0	0	0	114.4	S64 Y96 R105 F107	S64-T136 WeakPolarHBondContact O-CB 3.49Å; S64-T136 VanDerWaalsContact O-CG2 3.23Å; S64-T136 WeakPolarHBondContact O-CG2 3.34Å; Y96-T136 PolarHBondContact OH-O 3.41Å; R105-T136 PolarHBondContact O-OG1 3.23Å; F107-T136 HydrophobicContact CB-CG2 3.77Å; F107-T136 HydrophobicContact CD2-CG2 4.02Å; F107-T136 HydrophobicContact CG-CG2 4.41Å; F107-T136 PolarHBondContact N-OG1 3.32Å; F107-T136 VanDerWaalsContact N-OG1 3.09Å; F107-T136 PolarHBondContact O-N 3.43Å
137	S	71.2	Confident	74.2	Confident	20 Å²	20	34.4 Å²	34.4	14%	0.14	18%	0.18	C	C	.	.			trans	-132.1	124.6	179.7	-174.1	0	0	0	0	111.9	Y96 V135 R139 A140 I188	Y96-S137 VanDerWaalsContact OH-C 3.3Å; Y96-S137 WeakPolarHBondContact OH-CA 3.31Å; V135-S137 PolarHBondContact O-N 3.35Å; V135-S137 VanDerWaalsContact O-N 3.16Å; S137-R139 PolarHBondContact O-N 2.8Å; S137-R139 PolarHBondContact OG-N 2.91Å; S137-A140 VanDerWaalsContact O-CB 3.27Å; S137-A140 WeakPolarHBondContact O-CB 3.48Å; S137-A140 PolarHBondContact O-N 3.09Å; S137-A140 VanDerWaalsContact O-N 3.13Å; S137-I188 VanDerWaalsContact OG-CD1 3.28Å; S137-I188 WeakPolarHBondContact OG-CD1 3.45Å
138	C	69.7	Low	75.4	Confident	68 Å²	68	32.4 Å²	32.4	46%	0.459	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-16.8	178.2	59.6	0	0	0	0	112.3	Y96 A140	Y96-C138 HydrophobicContact CE1-CB 3.8Å; Y96-C138 HydrophobicContact CE2-CB 4.3Å; Y96-C138 PolarHBondContact OH-N 2.65Å; C138-A140 VanDerWaalsContact C-N 3.33Å
139	R	76.1	Confident	76.4	Confident	160 Å²	160	38.3 Å²	38.3	60%	0.604	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-8.5	174.8	-60	-173.5	-176.8	-179.3	3.5	112.8	E102 S137	E102-R139 IonicContact OE1-CZ 2.85Å; E102-R139 IonicContact OE1-NH1 3.95Å; E102-R139 PolarHBondContact OE1-NH1 2.8Å; S137-R139 PolarHBondContact O-N 2.8Å; S137-R139 PolarHBondContact OG-N 2.91Å
140	A	79.1	Confident	77.6	Confident	14 Å²	14	43.5 Å²	43.5	12%	0.116	23%	0.233	C	C	.	.	S	Bend	trans	-70.6	130.5	177	0	0	0	0	0	110.9	V135 S137 C138 V142 A186 K187 I188	V135-A140 HydrophobicContact CG1-CB 3.58Å; S137-A140 VanDerWaalsContact O-CB 3.27Å; S137-A140 WeakPolarHBondContact O-CB 3.48Å; S137-A140 PolarHBondContact O-N 3.09Å; S137-A140 VanDerWaalsContact O-N 3.13Å; C138-A140 VanDerWaalsContact C-N 3.33Å; A140-V142 PolarHBondContact O-N 2.85Å; A140-A186 HydrophobicContact CB-CB 4.44Å; A140-K187 CarbonylContact C-O 3.5Å; A140-K187 VanDerWaalsContact CA-O 3.32Å; A140-K187 WeakPolarHBondContact CA-O 3.5Å; A140-I188 VanDerWaalsContact CA-CG1 3.49Å; A140-I188 HydrophobicContact CB-CD1 3.91Å; A140-I188 HydrophobicContact CB-CG1 3.58Å
141	S	86.5	Confident	78.6	Confident	69 Å²	69	39.3 Å²	39.3	48%	0.483	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	120.5	163.6	62.2	0	0	0	0	108.2	A186 K187	S141-A186 WeakPolarHBondContact O-CA 3.46Å; S141-K187 PolarHBondContact N-O 3.25Å; S141-K187 PolarHBondContact O-N 2.88Å; S141-K187 PolarHBondContact OG-O 2.84Å
142	V	86.1	Confident	78.8	Confident	22 Å²	22	47.6 Å²	47.6	13%	0.133	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133.9	178.6	-161.9	0	0	0	0	109	V135 A140 Y156 F162 E185	V135-V142 HydrophobicContact CB-CG2 4.32Å; V135-V142 HydrophobicContact CG2-CG1 4.15Å; V135-V142 HydrophobicContact CG2-CG2 3.65Å; A140-V142 PolarHBondContact O-N 2.85Å; V142-Y156 HydrophobicContact CB-CD1 3.97Å; V142-Y156 HydrophobicContact CB-CD2 4.11Å; V142-Y156 HydrophobicContact CB-CG 3.74Å; V142-Y156 HydrophobicContact CG1-CD2 4Å; V142-Y156 HydrophobicContact CG1-CE2 4.27Å; V142-Y156 HydrophobicContact CG1-CG 4.17Å; V142-Y156 HydrophobicContact CG2-CD1 3.58Å; V142-Y156 HydrophobicContact CG2-CD2 4.44Å; V142-Y156 HydrophobicContact CG2-CE1 3.86Å; V142-Y156 HydrophobicContact CG2-CG 3.91Å; V142-F162 HydrophobicContact CB-CE2 4.46Å; V142-F162 HydrophobicContact CB-CZ 3.97Å; V142-F162 HydrophobicContact CG1-CE2 3.74Å; V142-F162 HydrophobicContact CG1-CZ 3.7Å; V142-E185 CarbonylContact C-O 3.54Å; V142-E185 VanDerWaalsContact CA-O 3.31Å; V142-E185 WeakPolarHBondContact CA-O 3.4Å
143	S	90.2	Very high	78.9	Confident	9 Å²	9	54.7 Å²	54.7	6%	0.063	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145.1	179.5	-56.5	0	0	0	0	110.1	K150 C184 E185	S143-K150 WeakPolarHBondContact OG-CE 3.14Å; S143-K150 PolarHBondContact OG-NZ 2.01Å; S143-C184 WeakPolarHBondContact O-CA 3.16Å; S143-E185 PolarHBondContact N-O 2.9Å; S143-E185 PolarHBondContact O-N 2.98Å
144	L	86.8	Confident	79.1	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.5	171.8	-161	65.5	0	0	0	109.3	I131 F146 L151 M154 F162 V164 C184 F197	I131-L144 HydrophobicContact CB-CD2 4.39Å; I131-L144 HydrophobicContact CD1-CD2 4.18Å; I131-L144 HydrophobicContact CG2-CD1 4.23Å; L144-F146 HydrophobicContact CD1-CE2 4.42Å; L144-F146 HydrophobicContact CD2-CD2 4.31Å; L144-F146 HydrophobicContact CD2-CE2 3.58Å; L144-F146 HydrophobicContact CD2-CZ 4.48Å; L144-F146 HydrophobicContact CG-CD2 4.18Å; L144-F146 HydrophobicContact CG-CE2 3.76Å; L144-L151 HydrophobicContact CD2-CD1 4.36Å; L144-L151 PolarHBondContact O-N 2.63Å; L144-M154 HydrophobicContact CB-CE 3.83Å; L144-M154 HydrophobicContact CD2-CE 3.36Å; L144-M154 HydrophobicContact CG-CE 4.16Å; L144-F162 HydrophobicContact CB-CD1 4.26Å; L144-F162 HydrophobicContact CB-CD2 3.91Å; L144-F162 HydrophobicContact CB-CE1 4.23Å; L144-F162 HydrophobicContact CB-CE2 3.9Å; L144-F162 HydrophobicContact CB-CG 4.08Å; L144-F162 HydrophobicContact CB-CZ 4.06Å; L144-F162 HydrophobicContact CD1-CD2 3.97Å; L144-F162 HydrophobicContact CD1-CE2 4.19Å; L144-F162 HydrophobicContact CD2-CB 3.86Å; L144-F162 HydrophobicContact CD2-CD2 4Å; L144-F162 HydrophobicContact CD2-CG 3.97Å; L144-F162 HydrophobicContact CG-CD2 4.21Å; L144-V164 HydrophobicContact CD2-CG2 3.62Å; L144-C184 HydrophobicContact CD1-CB 4.49Å; L144-C184 WeakPolarHBondContact CD1-SG 3.28Å; L144-F197 HydrophobicContact CD1-CE1 3.99Å; L144-F197 HydrophobicContact CD1-CZ 3.85Å
145	I	87	Confident	79.6	Confident	18 Å²	18	60.2 Å²	60.2	9%	0.092	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.9	-176.5	-58.4	157.4	0	0	0	107.5	K149 K150 G182 E183 E185	I145-K149 WeakPolarHBondContact CA-O 3.07Å; I145-K150 HydrophobicContact CG1-CB 3.97Å; I145-K150 HydrophobicContact CG1-CG 4.2Å; I145-G182 CarbonylContact O-C 3.54Å; I145-G182 WeakPolarHBondContact O-CA 3.49Å; I145-E183 HydrophobicContact CB-CG 3.52Å; I145-E183 HydrophobicContact CD1-CG 4.07Å; I145-E183 WeakPolarHBondContact CD1-OE1 3.28Å; I145-E183 HydrophobicContact CG1-CG 4.33Å; I145-E183 HydrophobicContact CG2-CG 3.97Å; I145-E183 VanDerWaalsContact CG2-OE1 3.31Å; I145-E183 WeakPolarHBondContact CG2-OE1 3.18Å; I145-E183 PolarHBondContact N-O 3.2Å; I145-E183 PolarHBondContact O-N 2.71Å; I145-E185 HydrophobicContact CD1-CB 4.32Å
146	F	81.9	Confident	79.9	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	131.3	175.7	-84	-79.1	0	0	0	109.8	I131 L144 G148 K149 L151 L169 P170 R180 F197 L199	I131-F146 HydrophobicContact CD1-CE2 3.99Å; I131-F146 HydrophobicContact CD1-CZ 3.57Å; L144-F146 HydrophobicContact CD1-CE2 4.42Å; L144-F146 HydrophobicContact CD2-CD2 4.31Å; L144-F146 HydrophobicContact CD2-CE2 3.58Å; L144-F146 HydrophobicContact CD2-CZ 4.48Å; L144-F146 HydrophobicContact CG-CD2 4.18Å; L144-F146 HydrophobicContact CG-CE2 3.76Å; F146-G148 PolarHBondContact O-N 2.84Å; F146-G148 VanDerWaalsContact O-N 3.13Å; F146-K149 PolarHBondContact N-O 3.46Å; F146-K149 PolarHBondContact O-N 3.36Å; F146-L151 HydrophobicContact CD2-CD1 3.67Å; F146-L151 HydrophobicContact CD2-CG 4.45Å; F146-L151 HydrophobicContact CE2-CD1 4.19Å; F146-L169 HydrophobicContact CB-CD2 4.48Å; F146-L169 HydrophobicContact CD1-CD2 4.27Å; F146-L169 HydrophobicContact CD2-CD2 3.53Å; F146-L169 HydrophobicContact CE1-CD2 4.39Å; F146-L169 HydrophobicContact CE2-CD2 3.63Å; F146-L169 HydrophobicContact CG-CD2 3.84Å; F146-L169 HydrophobicContact CZ-CD2 4.07Å; F146-P170 HydrophobicContact CB-CG 4.34Å; F146-R180 HydrophobicContact CD1-CB 3.97Å; F146-R180 HydrophobicContact CE1-CB 4.31Å; F146-F197 AromaticContact CE1-CE2 3.74Å; F146-F197 HydrophobicContact CE1-CE2 3.74Å; F146-F197 HydrophobicContact CE1-CZ 4.01Å; F146-F197 HydrophobicContact CE2-CZ 4.27Å; F146-F197 AromaticContact CZ-CE2 3.56Å; F146-F197 HydrophobicContact CZ-CE2 3.56Å; F146-F197 AromaticContact CZ-CZ 3.59Å; F146-F197 HydrophobicContact CZ-CZ 3.59Å; F146-L199 HydrophobicContact CE1-CB 3.76Å; F146-L199 HydrophobicContact CE1-CD2 3.71Å; F146-L199 HydrophobicContact CE1-CG 4.38Å; F146-L199 HydrophobicContact CZ-CB 4.29Å; F146-L199 HydrophobicContact CZ-CD2 3.76Å
147	D	78.2	Confident	80	Confident	70 Å²	70	67.3 Å²	67.3	37%	0.374	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	41	178.7	-51.5	-47	0	0	0	111.7	K149 R180 M181	D147-K149 VanDerWaalsContact C-N 3.27Å; D147-K149 PolarHBondContact O-N 2.83Å; D147-R180 IonicContact OD2-NH1 3.55Å; D147-R180 PolarHBondContact OD2-NH1 3.34Å; D147-M181 PolarHBondContact N-O 2.81Å; D147-M181 VanDerWaalsContact N-O 3.12Å
148	G	82.7	Confident	79.9	Confident	71 Å²	71	69.7 Å²	69.7	73%	0.732	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	3.7	-178.1	0	0	0	0	0	115.9	F146	F146-G148 PolarHBondContact O-N 2.84Å; F146-G148 VanDerWaalsContact O-N 3.13Å
149	K	86.6	Confident	79.4	Confident	133 Å²	133	66.8 Å²	66.8	58%	0.578	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.5	178.5	-66.6	-172.7	178.7	-175.9	0	111.6	I145 F146 D147 P170	I145-K149 WeakPolarHBondContact CA-O 3.07Å; F146-K149 PolarHBondContact N-O 3.46Å; F146-K149 PolarHBondContact O-N 3.36Å; D147-K149 VanDerWaalsContact C-N 3.27Å; D147-K149 PolarHBondContact O-N 2.83Å; K149-P170 HydrophobicContact CB-CG 4.03Å; K149-P170 HydrophobicContact CD-CB 4.19Å; K149-P170 HydrophobicContact CD-CG 4.08Å
150	K	88.8	Confident	78.8	Confident	118 Å²	118	66.3 Å²	66.3	51%	0.513	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	134.2	170.8	-173.9	169.6	173.1	165.6	0	110.1	S143 I145 E152	S143-K150 WeakPolarHBondContact OG-CE 3.14Å; S143-K150 PolarHBondContact OG-NZ 2.01Å; I145-K150 HydrophobicContact CG1-CB 3.97Å; I145-K150 HydrophobicContact CG1-CG 4.2Å; K150-E152 PolarHBondContact O-N 2.76Å
151	L	85.4	Confident	78.5	Confident	24 Å²	24	65.7 Å²	65.7	13%	0.126	35%	0.349	C	S	.	.			trans	-88.9	102.9	178.4	-63.6	-176.1	0	0	0	109.8	L144 F146 N153 M154 D168 L169	L144-L151 HydrophobicContact CD2-CD1 4.36Å; L144-L151 PolarHBondContact O-N 2.63Å; F146-L151 HydrophobicContact CD2-CD1 3.67Å; F146-L151 HydrophobicContact CD2-CG 4.45Å; F146-L151 HydrophobicContact CE2-CD1 4.19Å; L151-N153 PolarHBondContact O-N 2.9Å; L151-M154 HydrophobicContact CB-CE 3.59Å; L151-M154 HydrophobicContact CB-CG 4.28Å; L151-M154 HydrophobicContact CB-SD 4.47Å; L151-M154 HydrophobicContact CD1-CE 3.23Å; L151-M154 HydrophobicContact CD1-SD 4.16Å; L151-M154 HydrophobicContact CG-CE 4.03Å; L151-D168 VanDerWaalsContact CD2-O 3.24Å; L151-D168 WeakPolarHBondContact CD2-O 3.33Å; L151-L169 HydrophobicContact CD1-CD2 4.32Å
152	E	75.2	Confident	78	Confident	174 Å²	174	62.5 Å²	62.5	81%	0.813	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-17.4	-165.1	-62.7	-174	159.8	0	0	115.1	K150	K150-E152 PolarHBondContact O-N 2.76Å
153	N	69.4	Low	77.5	Confident	166 Å²	166	65.1 Å²	65.1	89%	0.888	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	19.8	-173	-68.4	-36	0	0	0	114.3	L151	L151-N153 PolarHBondContact O-N 2.9Å
154	M	74.2	Confident	76.7	Confident	35 Å²	35	64.7 Å²	64.7	17%	0.172	33%	0.333	C	S	.	.			trans	-109.6	120.9	-175.9	-59	-152	-58.9	0	0	112.2	L144 L151 F162 F163 V164	L144-M154 HydrophobicContact CB-CE 3.83Å; L144-M154 HydrophobicContact CD2-CE 3.36Å; L144-M154 HydrophobicContact CG-CE 4.16Å; L151-M154 HydrophobicContact CB-CE 3.59Å; L151-M154 HydrophobicContact CB-CG 4.28Å; L151-M154 HydrophobicContact CB-SD 4.47Å; L151-M154 HydrophobicContact CD1-CE 3.23Å; L151-M154 HydrophobicContact CD1-SD 4.16Å; L151-M154 HydrophobicContact CG-CE 4.03Å; M154-F162 HydrophobicContact CB-CD1 3.82Å; M154-F162 HydrophobicContact CB-CE1 4.43Å; M154-F162 HydrophobicContact CE-CB 4.1Å; M154-F162 HydrophobicContact CE-CD1 4.22Å; M154-F162 HydrophobicContact CE-CG 4.34Å; M154-F163 VanDerWaalsContact SD-O 3.32Å; M154-V164 HydrophobicContact CE-CG2 3.78Å; M154-V164 HydrophobicContact SD-CG2 3.88Å
155	S	76.6	Confident	76.1	Confident	83 Å²	83	69 Å²	69	58%	0.58	35%	0.352	S	S	*	.			trans	-85.6	117.5	172.5	65.2	0	0	0	0	110
156	Y	79.1	Confident	75.3	Confident	42 Å²	42	70.5 Å²	70.5	17%	0.165	36%	0.359	C	S	.	.			trans	-69.5	129.9	168.5	-178.7	-102.2	0	0	0	110.1	C133 V142 P158 F162	C133-Y156 VanDerWaalsContact O-CE2 3.26Å; C133-Y156 WeakPolarHBondContact O-CE2 3.43Å; C133-Y156 PolarHBondContact O-OH 3.42Å; V142-Y156 HydrophobicContact CB-CD1 3.97Å; V142-Y156 HydrophobicContact CB-CD2 4.11Å; V142-Y156 HydrophobicContact CB-CG 3.74Å; V142-Y156 HydrophobicContact CG1-CD2 4Å; V142-Y156 HydrophobicContact CG1-CE2 4.27Å; V142-Y156 HydrophobicContact CG1-CG 4.17Å; V142-Y156 HydrophobicContact CG2-CD1 3.58Å; V142-Y156 HydrophobicContact CG2-CD2 4.44Å; V142-Y156 HydrophobicContact CG2-CE1 3.86Å; V142-Y156 HydrophobicContact CG2-CG 3.91Å; Y156-P158 HydrophobicContact CD1-CG 4.41Å; Y156-P158 HydrophobicContact CE1-CB 4.42Å; Y156-P158 HydrophobicContact CE1-CG 4.02Å; Y156-F162 AromaticContact CD2-CD2 3.85Å; Y156-F162 HydrophobicContact CD2-CD2 3.85Å; Y156-F162 HydrophobicContact CD2-CE1 4.26Å; Y156-F162 AromaticContact CD2-CE2 3.54Å; Y156-F162 HydrophobicContact CD2-CE2 3.54Å; Y156-F162 HydrophobicContact CD2-CG 4.33Å; Y156-F162 AromaticContact CD2-CZ 3.77Å; Y156-F162 HydrophobicContact CD2-CZ 3.77Å; Y156-F162 HydrophobicContact CE2-CE2 4.31Å; Y156-F162 HydrophobicContact CG-CE1 4.41Å; Y156-F162 HydrophobicContact CG-CE2 4.33Å; Y156-F162 HydrophobicContact CG-CZ 4.11Å
157	K	69.8	Low	75	Confident	116 Å²	116	76.3 Å²	76.3	50%	0.504	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-116.7	115.8	172.7	-69.9	-175.2	-178.3	-177.7	0	109.1	G159 R160 G161	K157-G159 PolarHBondContact O-N 3.17Å; K157-R160 HydrophobicContact CB-CB 4.16Å; K157-R160 PolarHBondContact O-N 2.75Å; K157-G161 PolarHBondContact N-O 3.36Å; K157-G161 PolarHBondContact O-N 2.84Å
158	P	68.1	Low	75	Confident	71 Å²	71	76.2 Å²	76.2	46%	0.461	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	132.9	175.9	-28.8	35.1	0	0	0	112.3	Y94 Y156 R160	Y94-P158 HydrophobicContact CE1-CB 4.26Å; Y156-P158 HydrophobicContact CD1-CG 4.41Å; Y156-P158 HydrophobicContact CE1-CB 4.42Å; Y156-P158 HydrophobicContact CE1-CG 4.02Å; P158-R160 PolarHBondContact O-N 2.8Å
159	G	60	Low	74.7	Confident	6 Å²	6	73.3 Å²	73.3	6%	0.062	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	79	-24.5	-174.9	0	0	0	0	0	115.2	Y69 K157	Y69-G159 WeakPolarHBondContact CE2-O 3.45Å; Y69-G159 WeakPolarHBondContact OH-CA 3.31Å; Y69-G159 PolarHBondContact OH-O 2.95Å; K157-G159 PolarHBondContact O-N 3.17Å
160	R	63.2	Low	74.2	Confident	150 Å²	150	68 Å²	68	57%	0.566	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-33.4	175	-65	-169.9	-175.2	-169.1	2.9	112.8	Y130 K157 P158	Y130-R160 WeakPolarHBondContact CB-O 3.31Å; Y130-R160 HydrophobicContact CD1-CB 4.15Å; Y130-R160 VanDerWaalsContact CD1-O 3.23Å; Y130-R160 WeakPolarHBondContact CD1-O 3.24Å; Y130-R160 HydrophobicContact CE1-CB 4.1Å; K157-R160 HydrophobicContact CB-CB 4.16Å; K157-R160 PolarHBondContact O-N 2.75Å; P158-R160 PolarHBondContact O-N 2.8Å
161	G	72.3	Confident	73.3	Confident	2 Å²	2	74 Å²	74	2%	0.021	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	83.3	-160.1	-172.1	0	0	0	0	0	113.9	I131 D132 K157	I131-G161 CarbonylContact O-C 3.55Å; I131-G161 VanDerWaalsContact O-CA 3.31Å; I131-G161 WeakPolarHBondContact O-CA 3.26Å; D132-G161 PolarHBondContact OD1-N 2.87Å; K157-G161 PolarHBondContact N-O 3.36Å; K157-G161 PolarHBondContact O-N 2.84Å
162	F	76.7	Confident	72.2	Confident	2 Å²	2	76 Å²	76	1%	0.009	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	131.4	172.7	-62.4	-81	0	0	0	110.4	Y130 I131 V142 L144 M154 Y156 V164	Y130-F162 CarbonylContact C-O 3.57Å; Y130-F162 VanDerWaalsContact CA-O 3.24Å; Y130-F162 WeakPolarHBondContact CA-O 3.48Å; I131-F162 PolarHBondContact N-O 3.01Å; I131-F162 PolarHBondContact O-N 2.86Å; V142-F162 HydrophobicContact CB-CE2 4.46Å; V142-F162 HydrophobicContact CB-CZ 3.97Å; V142-F162 HydrophobicContact CG1-CE2 3.74Å; V142-F162 HydrophobicContact CG1-CZ 3.7Å; L144-F162 HydrophobicContact CB-CD1 4.26Å; L144-F162 HydrophobicContact CB-CD2 3.91Å; L144-F162 HydrophobicContact CB-CE1 4.23Å; L144-F162 HydrophobicContact CB-CE2 3.9Å; L144-F162 HydrophobicContact CB-CG 4.08Å; L144-F162 HydrophobicContact CB-CZ 4.06Å; L144-F162 HydrophobicContact CD1-CD2 3.97Å; L144-F162 HydrophobicContact CD1-CE2 4.19Å; L144-F162 HydrophobicContact CD2-CB 3.86Å; L144-F162 HydrophobicContact CD2-CD2 4Å; L144-F162 HydrophobicContact CD2-CG 3.97Å; L144-F162 HydrophobicContact CG-CD2 4.21Å; M154-F162 HydrophobicContact CB-CD1 3.82Å; M154-F162 HydrophobicContact CB-CE1 4.43Å; M154-F162 HydrophobicContact CE-CB 4.1Å; M154-F162 HydrophobicContact CE-CD1 4.22Å; M154-F162 HydrophobicContact CE-CG 4.34Å; Y156-F162 AromaticContact CD2-CD2 3.85Å; Y156-F162 HydrophobicContact CD2-CD2 3.85Å; Y156-F162 HydrophobicContact CD2-CE1 4.26Å; Y156-F162 AromaticContact CD2-CE2 3.54Å; Y156-F162 HydrophobicContact CD2-CE2 3.54Å; Y156-F162 HydrophobicContact CD2-CG 4.33Å; Y156-F162 AromaticContact CD2-CZ 3.77Å; Y156-F162 HydrophobicContact CD2-CZ 3.77Å; Y156-F162 HydrophobicContact CE2-CE2 4.31Å; Y156-F162 HydrophobicContact CG-CE1 4.41Å; Y156-F162 HydrophobicContact CG-CE2 4.33Å; Y156-F162 HydrophobicContact CG-CZ 4.11Å; F162-V164 HydrophobicContact CB-CG2 4.09Å
163	F	74.6	Confident	71.4	Confident	76 Å²	76	77.4 Å²	77.4	33%	0.333	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	120.9	167.8	-172.4	-109.3	0	0	0	109.9	Q127 Y130 M154 K165	Q127-F163 WeakPolarHBondContact O-CZ 3.15Å; Y130-F163 HydrophobicContact CD1-CB 3.96Å; Y130-F163 HydrophobicContact CD1-CD2 4.08Å; Y130-F163 AromaticContact CD2-CD2 3.76Å; Y130-F163 HydrophobicContact CD2-CD2 3.76Å; Y130-F163 HydrophobicContact CD2-CE2 4.28Å; Y130-F163 HydrophobicContact CE1-CB 3.65Å; Y130-F163 AromaticContact CE1-CD2 3.84Å; Y130-F163 HydrophobicContact CE1-CD2 3.84Å; Y130-F163 HydrophobicContact CE1-CG 4.17Å; Y130-F163 AromaticContact CE2-CD2 3.47Å; Y130-F163 HydrophobicContact CE2-CD2 3.47Å; Y130-F163 VanDerWaalsContact CE2-CD2 3.47Å; Y130-F163 AromaticContact CE2-CE2 3.88Å; Y130-F163 HydrophobicContact CE2-CE2 3.88Å; Y130-F163 HydrophobicContact CE2-CG 4.5Å; Y130-F163 HydrophobicContact CG-CD2 4.06Å; Y130-F163 AromaticContact CZ-CD2 3.52Å; M154-F163 VanDerWaalsContact SD-O 3.32Å; F163-K165 HydrophobicContact CE1-CD 4.48Å; F163-K165 HydrophobicContact CE1-CG 4.07Å
164	V	74.2	Confident	70.5	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	128.1	-173.3	-171.7	0	0	0	0	109.9	I123 G128 G129 I131 L144 M154 F162 L169	I123-V164 HydrophobicContact CD1-CB 4.49Å; G128-V164 CarbonylContact C-O 3.58Å; G128-V164 WeakPolarHBondContact CA-O 3.34Å; G129-V164 PolarHBondContact N-O 2.94Å; G129-V164 PolarHBondContact O-N 2.67Å; I131-V164 HydrophobicContact CB-CG2 4.44Å; I131-V164 HydrophobicContact CD1-CB 4.35Å; I131-V164 HydrophobicContact CD1-CG2 3.85Å; I131-V164 HydrophobicContact CG1-CB 4.48Å; I131-V164 HydrophobicContact CG1-CG2 3.9Å; L144-V164 HydrophobicContact CD2-CG2 3.62Å; M154-V164 HydrophobicContact CE-CG2 3.78Å; M154-V164 HydrophobicContact SD-CG2 3.88Å; F162-V164 HydrophobicContact CB-CG2 4.09Å; V164-L169 HydrophobicContact CG1-CD1 4.47Å; V164-L169 HydrophobicContact CG1-CD2 3.58Å; V164-L169 HydrophobicContact CG1-CG 3.93Å
165	K	73.3	Confident	69.3	Low	91 Å²	91	81.8 Å²	81.8	40%	0.396	40%	0.4	S	S	.	.			trans	-103.6	158.4	167.1	-59.5	178.9	-176.7	178.4	0	110.2	F163 T167 D168	F163-K165 HydrophobicContact CE1-CD 4.48Å; F163-K165 HydrophobicContact CE1-CG 4.07Å; K165-T167 PolarHBondContact O-N 2.9Å; K165-T167 VanDerWaalsContact O-N 3.15Å; K165-D168 VanDerWaalsContact CB-OD2 3.31Å; K165-D168 WeakPolarHBondContact CB-OD2 3.13Å; K165-D168 PolarHBondContact N-OD2 3.43Å; K165-D168 WeakPolarHBondContact O-CB 3.39Å; K165-D168 PolarHBondContact O-N 3.39Å
166	E	71.2	Confident	67.9	Low	51 Å²	51	81.7 Å²	81.7	24%	0.238	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-55.4	-34.1	174.7	-173.8	-177.9	-177.1	0	0	112.1	R125 D168 L169	R125-E166 WeakPolarHBondContact CB-OE2 3.27Å; R125-E166 WeakPolarHBondContact CD-OE2 3.24Å; R125-E166 WeakPolarHBondContact CG-OE2 3.35Å; R125-E166 IonicContact CZ-OE1 3.36Å; R125-E166 IonicContact CZ-OE2 3.43Å; R125-E166 IonicContact NE-OE1 2.75Å; R125-E166 PolarHBondContact NE-OE1 2.84Å; R125-E166 VanDerWaalsContact NE-OE1 3.16Å; R125-E166 IonicContact NE-OE2 2.62Å; R125-E166 PolarHBondContact NE-OE2 3.46Å; R125-E166 IonicContact NH2-OE1 2.79Å; R125-E166 PolarHBondContact NH2-OE1 3.31Å; R125-E166 IonicContact NH2-OE2 3.51Å; E166-D168 VanDerWaalsContact C-N 3.26Å; E166-D168 PolarHBondContact O-N 2.91Å; E166-L169 PolarHBondContact O-N 3.1Å
167	T	76	Confident	66.4	Low	121 Å²	121	84 Å²	84	74%	0.742	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-67.8	-23.7	177.7	51.8	0	0	0	0	114.1	K165 L169	K165-T167 PolarHBondContact O-N 2.9Å; K165-T167 VanDerWaalsContact O-N 3.15Å; T167-L169 VanDerWaalsContact C-N 3.3Å
168	D	78.2	Confident	65.7	Low	69 Å²	69	81.3 Å²	81.3	37%	0.369	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-81.5	-19.7	-179.9	-51.6	-31.6	0	0	0	110.7	L151 K165 E166	L151-D168 VanDerWaalsContact CD2-O 3.24Å; L151-D168 WeakPolarHBondContact CD2-O 3.33Å; K165-D168 VanDerWaalsContact CB-OD2 3.31Å; K165-D168 WeakPolarHBondContact CB-OD2 3.13Å; K165-D168 PolarHBondContact N-OD2 3.43Å; K165-D168 WeakPolarHBondContact O-CB 3.39Å; K165-D168 PolarHBondContact O-N 3.39Å; E166-D168 VanDerWaalsContact C-N 3.26Å; E166-D168 PolarHBondContact O-N 2.91Å
169	L	76.1	Confident	65.3	Low	9 Å²	9	78.9 Å²	78.9	5%	0.047	39%	0.392	C	S	.	.	S	Bend	trans	-80.4	145.1	-178.2	-59.8	173.2	0	0	0	111.1	F146 L151 V164 E166 T167 R171 R180 L199	F146-L169 HydrophobicContact CB-CD2 4.48Å; F146-L169 HydrophobicContact CD1-CD2 4.27Å; F146-L169 HydrophobicContact CD2-CD2 3.53Å; F146-L169 HydrophobicContact CE1-CD2 4.39Å; F146-L169 HydrophobicContact CE2-CD2 3.63Å; F146-L169 HydrophobicContact CG-CD2 3.84Å; F146-L169 HydrophobicContact CZ-CD2 4.07Å; L151-L169 HydrophobicContact CD1-CD2 4.32Å; V164-L169 HydrophobicContact CG1-CD1 4.47Å; V164-L169 HydrophobicContact CG1-CD2 3.58Å; V164-L169 HydrophobicContact CG1-CG 3.93Å; E166-L169 PolarHBondContact O-N 3.1Å; T167-L169 VanDerWaalsContact C-N 3.3Å; L169-R171 PolarHBondContact O-N 2.91Å; L169-R180 VanDerWaalsContact CB-CZ 3.43Å; L169-L199 HydrophobicContact CD1-CD2 3.64Å; L169-L199 HydrophobicContact CD2-CD2 4.31Å
170	P	75.4	Confident	65.6	Low	21 Å²	21	79.4 Å²	79.4	14%	0.136	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-52.9	136.8	176.3	-26.3	34.5	0	0	0	111.8	F146 K149 L172 R180	F146-P170 HydrophobicContact CB-CG 4.34Å; K149-P170 HydrophobicContact CB-CG 4.03Å; K149-P170 HydrophobicContact CD-CB 4.19Å; K149-P170 HydrophobicContact CD-CG 4.08Å; P170-L172 PolarHBondContact O-N 2.83Å; P170-L172 VanDerWaalsContact O-N 3.17Å; P170-R180 PolarHBondContact O-NH1 3.34Å; P170-R180 PolarHBondContact O-NH2 2.92Å
171	R	70.2	Confident	66	Low	245 Å²	245	74.7 Å²	74.7	93%	0.925	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-66.4	121.5	176	-68.8	-174	-179.6	179.7	0.9	110	L169	L169-R171 PolarHBondContact O-N 2.91Å
172	L	63	Low	66.1	Low	67 Å²	67	74.7 Å²	74.7	35%	0.351	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-71.5	136.3	169.2	-67.7	172.5	0	0	0	108.6	P170 F174 M177 R180	P170-L172 PolarHBondContact O-N 2.83Å; P170-L172 VanDerWaalsContact O-N 3.17Å; L172-F174 PolarHBondContact O-N 3.13Å; L172-M177 WeakPolarHBondContact CD1-O 3.16Å; L172-R180 HydrophobicContact CD1-CG 4.03Å
173	K	58	Low	66.3	Low	203 Å²	203	76.8 Å²	76.8	88%	0.883	39%	0.386	S	S	*	.	S	Bend	trans	-69.9	-19.1	177.3	-72	-174.2	178.8	-179.7	0	112.7
174	F	50.9	Low	66.6	Low	166 Å²	166	73.1 Å²	73.1	73%	0.728	37%	0.37	S	S	*	.			trans	-113	135.5	-173.4	-68.5	-80.3	0	0	0	111.6	L172	L172-F174 PolarHBondContact O-N 3.13Å
175	S	48	Very low	67.2	Low	126 Å²	126	75.6 Å²	75.6	88%	0.881	38%	0.382	S	S	*	.	S	Bend	trans	-81.2	-12.8	-178.9	57.9	0	0	0	0	114.2
176	A	46.8	Very low	67.6	Low	82 Å²	82	71.2 Å²	71.2	68%	0.678	36%	0.363	S	S	*	.	S	Bend	trans	-85.1	-19.3	-171.2	0	0	0	0	0	113.9
177	M	48.4	Very low	68.4	Low	91 Å²	91	73 Å²	73	45%	0.448	37%	0.37	S	S	.	.			trans	-125.7	128.9	-174.7	-74.2	177.4	158.8	0	0	110.3	L172	L172-M177 WeakPolarHBondContact CD1-O 3.16Å
178	Q	55.2	Low	68.6	Low	58 Å²	58	69.5 Å²	69.5	27%	0.271	35%	0.346	S	S	.	.			trans	-116.2	17.1	168.9	-51.4	-173.8	-0.8	0	0	112.4	V201	Q178-V201 HydrophobicContact CB-CB 3.81Å; Q178-V201 HydrophobicContact CB-CG2 4.38Å; Q178-V201 PolarHBondContact O-N 2.89Å; Q178-V201 VanDerWaalsContact O-N 3.17Å; Q178-V201 VanDerWaalsContact OE1-CB 3.29Å; Q178-V201 VanDerWaalsContact OE1-CG1 3.25Å; Q178-V201 PolarHBondContact OE1-O 3.01Å; Q178-V201 VanDerWaalsContact OE1-O 3.09Å
179	S	59.1	Low	69	Low	20 Å²	20	69 Å²	69	14%	0.14	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	138.1	165.7	62.3	0	0	0	0	109.8	L199	S179-L199 CarbonylContact C-O 3.44Å; S179-L199 VanDerWaalsContact CA-O 3.29Å; S179-L199 WeakPolarHBondContact CA-O 3.38Å
180	R	66	Low	69.3	Low	18 Å²	18	76.6 Å²	76.6	7%	0.068	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	132.3	179.1	-64.7	164.7	174.9	-92.2	10.5	109	F146 D147 L169 P170 L172 G182 L199	F146-R180 HydrophobicContact CD1-CB 3.97Å; F146-R180 HydrophobicContact CE1-CB 4.31Å; D147-R180 IonicContact OD2-NH1 3.55Å; D147-R180 PolarHBondContact OD2-NH1 3.34Å; L169-R180 VanDerWaalsContact CB-CZ 3.43Å; P170-R180 PolarHBondContact O-NH1 3.34Å; P170-R180 PolarHBondContact O-NH2 2.92Å; L172-R180 HydrophobicContact CD1-CG 4.03Å; R180-G182 PolarHBondContact O-N 3.49Å; R180-L199 HydrophobicContact CB-CB 4.35Å; R180-L199 PolarHBondContact N-O 3.3Å; R180-L199 PolarHBondContact O-N 2.98Å
181	M	71.5	Confident	69.5	Low	51 Å²	51	82.3 Å²	82.3	25%	0.251	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	119.9	170.5	-171.4	67.5	79.1	0	0	107.8	F28 D147 F197	F28-M181 HydrophobicContact CD1-CE 3.85Å; D147-M181 PolarHBondContact N-O 2.81Å; D147-M181 VanDerWaalsContact N-O 3.12Å; M181-F197 VanDerWaalsContact SD-O 3.36Å
182	G	75.6	Confident	70.3	Confident	1 Å²	1	73.6 Å²	73.6	1%	0.01	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	151.3	173.2	0	0	0	0	0	110.5	I145 R180 F197	I145-G182 CarbonylContact O-C 3.54Å; I145-G182 WeakPolarHBondContact O-CA 3.49Å; R180-G182 PolarHBondContact O-N 3.49Å; G182-F197 VanDerWaalsContact C-CE1 3.44Å; G182-F197 PolarHBondContact N-O 2.75Å; G182-F197 WeakPolarHBondContact O-CD1 3.18Å; G182-F197 PolarHBondContact O-N 2.81Å; G182-F197 VanDerWaalsContact O-O 3.05Å
183	E	80.1	Confident	71	Confident	46 Å²	46	70.8 Å²	70.8	22%	0.215	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	140	168	65.9	-171.8	-164.6	0	0	109.9	I145 T194 L195 Y196	I145-E183 HydrophobicContact CB-CG 3.52Å; I145-E183 HydrophobicContact CD1-CG 4.07Å; I145-E183 WeakPolarHBondContact CD1-OE1 3.28Å; I145-E183 HydrophobicContact CG1-CG 4.33Å; I145-E183 HydrophobicContact CG2-CG 3.97Å; I145-E183 VanDerWaalsContact CG2-OE1 3.31Å; I145-E183 WeakPolarHBondContact CG2-OE1 3.18Å; I145-E183 PolarHBondContact N-O 3.2Å; I145-E183 PolarHBondContact O-N 2.71Å; E183-T194 HydrophobicContact CB-CG2 4.02Å; E183-T194 HydrophobicContact CG-CG2 4.48Å; E183-L195 CarbonylContact C-O 3.52Å; E183-L195 VanDerWaalsContact CA-O 3.22Å; E183-L195 WeakPolarHBondContact CA-O 3.3Å; E183-Y196 HydrophobicContact CB-CD1 3.86Å; E183-Y196 HydrophobicContact CB-CE1 4.16Å; E183-Y196 WeakPolarHBondContact OE2-CE1 3.32Å
184	C	81.2	Confident	72	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	128	166.6	-82.7	0	0	0	0	108.3	L108 C133 S143 L144 T194 L195	L108-C184 HydrophobicContact CD1-CB 4.44Å; L108-C184 VanDerWaalsContact CD1-O 3.26Å; L108-C184 WeakPolarHBondContact CD1-O 3.22Å; L108-C184 HydrophobicContact CD2-CB 4.06Å; C133-C184 HydrophobicContact CB-CB 3.52Å; C133-C184 WeakPolarHBondContact CB-SG 3.4Å; C133-C184 WeakPolarHBondContact SG-CB 3.34Å; C133-C184 CovalentContact SG-SG 2.01Å; C133-C184 PolarHBondContact SG-SG 2.99Å; S143-C184 WeakPolarHBondContact O-CA 3.16Å; L144-C184 HydrophobicContact CD1-CB 4.49Å; L144-C184 WeakPolarHBondContact CD1-SG 3.28Å; C184-T194 CarbonylContact O-C 3.54Å; C184-T194 VanDerWaalsContact O-CA 3.31Å; C184-T194 WeakPolarHBondContact O-CA 3.35Å; C184-L195 HydrophobicContact CB-CB 4.28Å; C184-L195 PolarHBondContact N-O 3.16Å; C184-L195 PolarHBondContact O-N 2.79Å
185	E	86.3	Confident	73	Confident	51 Å²	51	55 Å²	55	24%	0.238	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.1	174.6	-172.3	-174.9	108.6	0	0	109.4	V142 S143 I145 T192 D193	V142-E185 CarbonylContact C-O 3.54Å; V142-E185 VanDerWaalsContact CA-O 3.31Å; V142-E185 WeakPolarHBondContact CA-O 3.4Å; S143-E185 PolarHBondContact N-O 2.9Å; S143-E185 PolarHBondContact O-N 2.98Å; I145-E185 HydrophobicContact CD1-CB 4.32Å; E185-T192 VanDerWaalsContact CD-CG2 3.44Å; E185-T192 HydrophobicContact CG-CG2 3.27Å; E185-D193 WeakPolarHBondContact CA-O 3.35Å
186	A	83	Confident	73.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.2	173.7	0	0	0	0	0	109.1	I106 L108 V135 A140 S141 T192 D193	I106-A186 HydrophobicContact CG2-CB 3.4Å; L108-A186 HydrophobicContact CD1-CB 3.55Å; L108-A186 HydrophobicContact CD2-CB 4.03Å; L108-A186 HydrophobicContact CG-CB 3.63Å; V135-A186 HydrophobicContact CG1-CB 3.98Å; V135-A186 HydrophobicContact CG2-CB 3.9Å; A140-A186 HydrophobicContact CB-CB 4.44Å; S141-A186 WeakPolarHBondContact O-CA 3.46Å; A186-T192 CarbonylContact O-C 3.55Å; A186-T192 WeakPolarHBondContact O-CA 3.08Å; A186-D193 PolarHBondContact N-O 3.15Å; A186-D193 PolarHBondContact O-N 3.15Å
187	K	87	Confident	74.8	Confident	89 Å²	89	48.3 Å²	48.3	39%	0.387	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	134.7	-174.4	-170.9	177.2	-176.6	175.2	0	112.3	A140 S141 G189 R191	A140-K187 CarbonylContact C-O 3.5Å; A140-K187 VanDerWaalsContact CA-O 3.32Å; A140-K187 WeakPolarHBondContact CA-O 3.5Å; S141-K187 PolarHBondContact N-O 3.25Å; S141-K187 PolarHBondContact O-N 2.88Å; S141-K187 PolarHBondContact OG-O 2.84Å; K187-G189 WeakPolarHBondContact CE-O 3.13Å; K187-R191 VanDerWaalsContact CA-O 3.3Å; K187-R191 WeakPolarHBondContact CA-O 3.34Å; K187-R191 WeakPolarHBondContact CG-O 3.47Å
188	I	81.7	Confident	75.4	Confident	47 Å²	47	45.4 Å²	45.4	24%	0.241	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	111.5	171.5	-57.5	174.2	0	0	0	107.6	I106 S137 A140 N190 R191	I106-I188 HydrophobicContact CD1-CB 3.6Å; I106-I188 HydrophobicContact CD1-CD1 4.14Å; I106-I188 HydrophobicContact CD1-CG1 3.7Å; I106-I188 HydrophobicContact CG1-CB 3.95Å; I106-I188 HydrophobicContact CG1-CD1 3.56Å; I106-I188 HydrophobicContact CG1-CG1 3.71Å; S137-I188 VanDerWaalsContact OG-CD1 3.28Å; S137-I188 WeakPolarHBondContact OG-CD1 3.45Å; A140-I188 VanDerWaalsContact CA-CG1 3.49Å; A140-I188 HydrophobicContact CB-CD1 3.91Å; A140-I188 HydrophobicContact CB-CG1 3.58Å; I188-N190 PolarHBondContact O-N 2.84Å; I188-R191 PolarHBondContact N-O 2.68Å; I188-R191 PolarHBondContact O-N 3.3Å; I188-R191 VanDerWaalsContact O-N 3.07Å
189	G	84.8	Confident	75.8	Confident	58 Å²	58	42.8 Å²	42.8	60%	0.598	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	-121.7	-172.8	0	0	0	0	0	111.1	K187	K187-G189 WeakPolarHBondContact CE-O 3.13Å
190	N	83.7	Confident	75.7	Confident	169 Å²	169	42.7 Å²	42.7	90%	0.904	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-0.4	179.8	-64.9	-11.8	0	0	0	113.8	I188	I188-N190 PolarHBondContact O-N 2.84Å
191	R	79.6	Confident	75.1	Confident	141 Å²	141	42.6 Å²	42.6	53%	0.532	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	135.4	178.1	-70.1	-176.5	176	-166.7	-4.9	109.6	R104 I106 K187 I188	R104-R191 WeakPolarHBondContact O-CD 3.3Å; R104-R191 PolarHBondContact O-NH1 3.05Å; I106-R191 HydrophobicContact CD1-CB 3.56Å; I106-R191 WeakPolarHBondContact CD1-O 3.38Å; I106-R191 HydrophobicContact CG1-CB 4.38Å; K187-R191 VanDerWaalsContact CA-O 3.3Å; K187-R191 WeakPolarHBondContact CA-O 3.34Å; K187-R191 WeakPolarHBondContact CG-O 3.47Å; I188-R191 PolarHBondContact N-O 2.68Å; I188-R191 PolarHBondContact O-N 3.3Å; I188-R191 VanDerWaalsContact O-N 3.07Å
192	T	85.8	Confident	74	Confident	62 Å²	62	42.3 Å²	42.3	38%	0.38	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	137.2	174.4	-59	0	0	0	0	108.3	E185 A186	E185-T192 VanDerWaalsContact CD-CG2 3.44Å; E185-T192 HydrophobicContact CG-CG2 3.27Å; A186-T192 CarbonylContact O-C 3.55Å; A186-T192 WeakPolarHBondContact O-CA 3.08Å
193	D	78.6	Confident	72.5	Confident	8 Å²	8	50.6 Å²	50.6	4%	0.043	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	145.7	165.9	-152.8	33.6	0	0	0	108.1	K35 Y36 I106 F107 L108 E185 A186	K35-D193 IonicContact NZ-OD1 3.76Å; K35-D193 PolarHBondContact NZ-OD1 3.1Å; Y36-D193 PolarHBondContact OH-OD2 3.1Å; I106-D193 HydrophobicContact CB-CB 4.21Å; I106-D193 HydrophobicContact CG2-CB 3.87Å; F107-D193 WeakPolarHBondContact CA-OD2 3.32Å; L108-D193 HydrophobicContact CD1-CB 4.26Å; L108-D193 WeakPolarHBondContact CD1-O 3.12Å; L108-D193 PolarHBondContact N-OD2 3.08Å; L108-D193 VanDerWaalsContact N-OD2 3.11Å; E185-D193 WeakPolarHBondContact CA-O 3.35Å; A186-D193 PolarHBondContact N-O 3.15Å; A186-D193 PolarHBondContact O-N 3.15Å
194	T	78.4	Confident	70.7	Confident	34 Å²	34	53.5 Å²	53.5	21%	0.209	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	135.8	-175.3	-51.5	0	0	0	0	110.1	E183 C184 Y196	E183-T194 HydrophobicContact CB-CG2 4.02Å; E183-T194 HydrophobicContact CG-CG2 4.48Å; C184-T194 CarbonylContact O-C 3.54Å; C184-T194 VanDerWaalsContact O-CA 3.31Å; C184-T194 WeakPolarHBondContact O-CA 3.35Å; T194-Y196 HydrophobicContact CG2-CD2 4.31Å; T194-Y196 HydrophobicContact CG2-CE1 4.1Å; T194-Y196 HydrophobicContact CG2-CE2 3.73Å
195	L	71.6	Confident	68.7	Low	2 Å²	2	57.8 Å²	57.8	1%	0.01	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	112.9	-179	-177.4	72.1	0	0	0	109.5	N33 Y36 L108 W110 C133 E183 C184	N33-L195 WeakPolarHBondContact ND2-CD1 3.01Å; Y36-L195 HydrophobicContact CE2-CD1 3.99Å; L108-L195 HydrophobicContact CB-CB 3.9Å; L108-L195 HydrophobicContact CB-CD2 4.29Å; L108-L195 HydrophobicContact CD1-CB 4.29Å; W110-L195 HydrophobicContact CG-CD2 4.09Å; W110-L195 VanDerWaalsContact NE1-CD2 3.33Å; C133-L195 HydrophobicContact CB-CD2 4.48Å; E183-L195 CarbonylContact C-O 3.52Å; E183-L195 VanDerWaalsContact CA-O 3.22Å; E183-L195 WeakPolarHBondContact CA-O 3.3Å; C184-L195 HydrophobicContact CB-CB 4.28Å; C184-L195 PolarHBondContact N-O 3.16Å; C184-L195 PolarHBondContact O-N 2.79Å
196	Y	68.1	Low	66.4	Low	66 Å²	66	60.2 Å²	60.2	26%	0.259	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	145.4	-179.5	-58	-90.7	0	0	0	111.2	M31 E183 T194	M31-Y196 HydrophobicContact CB-CD2 4.05Å; M31-Y196 HydrophobicContact CB-CE2 4.41Å; M31-Y196 HydrophobicContact SD-CE2 4.43Å; E183-Y196 HydrophobicContact CB-CD1 3.86Å; E183-Y196 HydrophobicContact CB-CE1 4.16Å; E183-Y196 WeakPolarHBondContact OE2-CE1 3.32Å; T194-Y196 HydrophobicContact CG2-CD2 4.31Å; T194-Y196 HydrophobicContact CG2-CE1 4.1Å; T194-Y196 HydrophobicContact CG2-CE2 3.73Å
197	F	65.7	Low	64.1	Low	3 Å²	3	64.9 Å²	64.9	1%	0.013	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	159.4	178.7	63.6	-90.6	0	0	0	112.3	W110 I131 L144 F146 M181 G182 L199	W110-F197 HydrophobicContact CH2-CB 4.42Å; W110-F197 HydrophobicContact CH2-CD2 4.29Å; W110-F197 HydrophobicContact CH2-CG 4.31Å; W110-F197 HydrophobicContact CZ2-CB 3.43Å; W110-F197 VanDerWaalsContact CZ2-CB 3.43Å; W110-F197 AromaticContact CZ2-CD1 3.76Å; W110-F197 HydrophobicContact CZ2-CD1 3.76Å; W110-F197 AromaticContact CZ2-CD2 3.83Å; W110-F197 HydrophobicContact CZ2-CD2 3.83Å; W110-F197 HydrophobicContact CZ2-CE1 4.44Å; W110-F197 HydrophobicContact CZ2-CE2 4.5Å; W110-F197 AromaticContact CZ2-CG 3.42Å; W110-F197 HydrophobicContact CZ2-CG 3.42Å; W110-F197 VanDerWaalsContact CZ2-CG 3.42Å; I131-F197 HydrophobicContact CD1-CE2 4.08Å; I131-F197 HydrophobicContact CD1-CZ 4.19Å; I131-F197 HydrophobicContact CG2-CE1 4.34Å; I131-F197 HydrophobicContact CG2-CE2 4.22Å; I131-F197 HydrophobicContact CG2-CZ 3.84Å; L144-F197 HydrophobicContact CD1-CE1 3.99Å; L144-F197 HydrophobicContact CD1-CZ 3.85Å; F146-F197 AromaticContact CE1-CE2 3.74Å; F146-F197 HydrophobicContact CE1-CE2 3.74Å; F146-F197 HydrophobicContact CE1-CZ 4.01Å; F146-F197 HydrophobicContact CE2-CZ 4.27Å; F146-F197 AromaticContact CZ-CE2 3.56Å; F146-F197 HydrophobicContact CZ-CE2 3.56Å; F146-F197 AromaticContact CZ-CZ 3.59Å; F146-F197 HydrophobicContact CZ-CZ 3.59Å; M181-F197 VanDerWaalsContact SD-O 3.36Å; G182-F197 VanDerWaalsContact C-CE1 3.44Å; G182-F197 PolarHBondContact N-O 2.75Å; G182-F197 WeakPolarHBondContact O-CD1 3.18Å; G182-F197 PolarHBondContact O-N 2.81Å; G182-F197 VanDerWaalsContact O-O 3.05Å; F197-L199 HydrophobicContact CE2-CB 4.35Å
198	L	60.5	Low	62	Low	30 Å²	30	65.4 Å²	65.4	16%	0.157	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	119.7	174.6	-166.7	72.3	0	0	0	109.9	L200	L198-L200 HydrophobicContact CD2-CD2 3.84Å; L198-L200 HydrophobicContact CD2-CG 4.37Å; L198-L200 HydrophobicContact CG-CD2 4.09Å
199	L	63.7	Low	59.6	Low	2 Å²	2	69.5 Å²	69.5	1%	0.01	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	119.6	171	177.3	68.1	0	0	0	109.2	I123 F146 L169 S179 R180 F197	I123-L199 HydrophobicContact CD1-CD1 4.1Å; I123-L199 HydrophobicContact CD1-CD2 4.46Å; F146-L199 HydrophobicContact CE1-CB 3.76Å; F146-L199 HydrophobicContact CE1-CD2 3.71Å; F146-L199 HydrophobicContact CE1-CG 4.38Å; F146-L199 HydrophobicContact CZ-CB 4.29Å; F146-L199 HydrophobicContact CZ-CD2 3.76Å; L169-L199 HydrophobicContact CD1-CD2 3.64Å; L169-L199 HydrophobicContact CD2-CD2 4.31Å; S179-L199 CarbonylContact C-O 3.44Å; S179-L199 VanDerWaalsContact CA-O 3.29Å; S179-L199 WeakPolarHBondContact CA-O 3.38Å; R180-L199 HydrophobicContact CB-CB 4.35Å; R180-L199 PolarHBondContact N-O 3.3Å; R180-L199 PolarHBondContact O-N 2.98Å; F197-L199 HydrophobicContact CE2-CB 4.35Å
200	L	56	Low	57.1	Low	19 Å²	19	70.4 Å²	70.4	10%	0.099	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	125.3	169.8	-56.5	-179.3	0	0	0	109.9	L120 L198 L257	L120-L200 HydrophobicContact CD1-CD1 3.72Å; L120-L200 HydrophobicContact CD2-CB 3.74Å; L120-L200 HydrophobicContact CD2-CD1 3.25Å; L120-L200 HydrophobicContact CD2-CG 3.32Å; L120-L200 HydrophobicContact CG-CD1 4.09Å; L120-L200 HydrophobicContact CG-CG 4.49Å; L198-L200 HydrophobicContact CD2-CD2 3.84Å; L198-L200 HydrophobicContact CD2-CG 4.37Å; L198-L200 HydrophobicContact CG-CD2 4.09Å; L200-L257 HydrophobicContact CD1-CD1 3.2Å
201	V	54.3	Low	54.7	Low	16 Å²	16	69.2 Å²	69.2	10%	0.097	37%	0.365	C	S	.	.			trans	-89.8	107.9	168.5	-173	0	0	0	0	107.9	Q178	Q178-V201 HydrophobicContact CB-CB 3.81Å; Q178-V201 HydrophobicContact CB-CG2 4.38Å; Q178-V201 PolarHBondContact O-N 2.89Å; Q178-V201 VanDerWaalsContact O-N 3.17Å; Q178-V201 VanDerWaalsContact OE1-CB 3.29Å; Q178-V201 VanDerWaalsContact OE1-CG1 3.25Å; Q178-V201 PolarHBondContact OE1-O 3.01Å; Q178-V201 VanDerWaalsContact OE1-O 3.09Å
202	L	48	Very low	52.7	Low	45 Å²	45	64.4 Å²	64.4	24%	0.236	35%	0.352	C	S	.	.			trans	-85.7	127.3	177	-66.7	170.7	0	0	0	109.8	L254 E255	L202-L254 HydrophobicContact CD1-CD1 4.5Å; L202-E255 HydrophobicContact CD2-CB 4.44Å
203	R	44.5	Very low	50.6	Low	174 Å²	174	69.4 Å²	69.4	66%	0.657	38%	0.375	S	S	*	.			trans	-94.2	102	171.5	-169.4	179.4	-177.5	172.2	-1.2	109.1	T205	R203-T205 HydrophobicContact CG-CG2 4.35Å; R203-T205 PolarHBondContact O-N 3.02Å; R203-T205 VanDerWaalsContact O-N 3.13Å
204	L	42.5	Very low	48.9	Very low	108 Å²	108	71.7 Å²	71.7	57%	0.565	39%	0.385	S	S	*	.			trans	-68.6	109.5	167.6	-72	164	0	0	0	109.1	V252	L204-V252 HydrophobicContact CD2-CG1 4.05Å
205	T	38.4	Very low	47.5	Very low	89 Å²	89	77.8 Å²	77.8	55%	0.546	42%	0.416	S	S	.	.			trans	-100.1	113.3	168.4	40.5	0	0	0	0	109.5	R203 T207	R203-T205 HydrophobicContact CG-CG2 4.35Å; R203-T205 PolarHBondContact O-N 3.02Å; R203-T205 VanDerWaalsContact O-N 3.13Å; T205-T207 PolarHBondContact O-N 2.9Å
206	V	38.8	Very low	46.3	Very low	102 Å²	102	79.5 Å²	79.5	62%	0.618	43%	0.427	S	S	*	.			trans	-82.3	99.7	167.1	-175.9	0	0	0	0	107
207	T	35.4	Very low	45.2	Very low	98 Å²	98	81.9 Å²	81.9	60%	0.601	45%	0.448	S	S	*	.			trans	-81.6	126.8	174.2	42.8	0	0	0	0	110.3	T205	T205-T207 PolarHBondContact O-N 2.9Å
208	E	42.3	Very low	44.3	Very low	100 Å²	100	84.2 Å²	84.2	47%	0.467	46%	0.461	S	S	.	.			trans	-121.7	140.8	179.3	177.2	179.8	158.2	0	0	110.4	K248	E208-K248 IonicContact OE1-NZ 3.32Å; E208-K248 PolarHBondContact OE1-NZ 3.11Å; E208-K248 IonicContact OE2-NZ 2.59Å; E208-K248 PolarHBondContact OE2-NZ 3.23Å
209	V	31.4	Very low	43.5	Very low	134 Å²	134	92.2 Å²	92.2	81%	0.812	49%	0.494	S	S	*	.			trans	-138.5	69.1	159.1	-169	0	0	0	0	109.4
210	V	32.5	Very low	42.5	Very low	76 Å²	76	96.3 Å²	96.3	46%	0.461	51%	0.512	S	S	.	.			trans	-146.3	106.9	163.5	-175.2	0	0	0	0	107.8	P212	V210-P212 WeakPolarHBondContact O-CD 3.28Å
211	T	32.4	Very low	41.7	Very low	144 Å²	144	102.4 Å²	102.4	88%	0.883	54%	0.538	S	S	*	.			trans	-53.8	104.3	166.9	22.2	0	0	0	0	109.1
212	P	37.9	Very low	40.9	Very low	40 Å²	40	110.5 Å²	110.5	26%	0.26	57%	0.568	S	S	.	*			trans	-89	144.3	179.1	33.2	-22.3	0	0	0	108.5	V210 F214 V246	V210-P212 WeakPolarHBondContact O-CD 3.28Å; P212-F214 WeakPolarHBondContact CB-O 3.23Å; P212-F214 WeakPolarHBondContact CG-O 3.35Å; P212-F214 PolarHBondContact O-N 3.41Å; P212-V246 HydrophobicContact CB-CG1 4.49Å
213	L	42.6	Very low	40.7	Very low	167 Å²	167	110.7 Å²	110.7	87%	0.874	57%	0.571	S	S	*	*	S	Bend	trans	-61.9	-6.1	162.7	-83.1	149.3	0	0	0	112.1
214	F	42.6	Very low	41	Very low	57 Å²	57	108 Å²	108	25%	0.25	57%	0.569	C	S	.	*	S	Bend	trans	-137.1	125.4	-176.4	-47.7	-65.7	0	0	0	111.7	P212 V216 L237 A244 V246	P212-F214 WeakPolarHBondContact CB-O 3.23Å; P212-F214 WeakPolarHBondContact CG-O 3.35Å; P212-F214 PolarHBondContact O-N 3.41Å; F214-V216 HydrophobicContact CB-CG2 4.12Å; F214-V216 PolarHBondContact O-N 2.72Å; F214-L237 HydrophobicContact CD1-CD2 4.2Å; F214-L237 HydrophobicContact CE1-CD2 3.13Å; F214-L237 HydrophobicContact CE1-CG 4.17Å; F214-L237 HydrophobicContact CZ-CD1 4.44Å; F214-L237 HydrophobicContact CZ-CD2 3.5Å; F214-L237 HydrophobicContact CZ-CG 4.16Å; F214-A244 HydrophobicContact CD2-CB 4.3Å; F214-A244 HydrophobicContact CE2-CB 3.43Å; F214-A244 VanDerWaalsContact CE2-CB 3.43Å; F214-A244 HydrophobicContact CZ-CB 3.8Å; F214-V246 HydrophobicContact CB-CG2 4.32Å; F214-V246 HydrophobicContact CD2-CG2 3.62Å; F214-V246 HydrophobicContact CG-CG2 4.38Å
215	N	47.6	Very low	41.6	Very low	161 Å²	161	106.8 Å²	106.8	86%	0.861	56%	0.56	S	S	*	*			trans	-74.2	99	165.9	-76.6	-21.4	0	0	0	109.5
216	V	46.3	Very low	42.8	Very low	38 Å²	38	109.1 Å²	109.1	23%	0.23	57%	0.569	C	S	.	*			trans	-101.9	116.4	172.8	-177.7	0	0	0	0	108.9	F214 L218 V246	F214-V216 HydrophobicContact CB-CG2 4.12Å; F214-V216 PolarHBondContact O-N 2.72Å; V216-L218 HydrophobicContact CG1-CD2 4.44Å; V216-L218 HydrophobicContact CG1-CG 4.45Å; V216-V246 HydrophobicContact CG2-CB 4.47Å; V216-V246 HydrophobicContact CG2-CG2 4.29Å
217	T	46.6	Very low	43.9	Very low	117 Å²	117	106.8 Å²	106.8	72%	0.718	55%	0.554	S	S	*	*			trans	-97	115.3	171.3	-52.1	0	0	0	0	109.9	K219	T217-K219 HydrophobicContact CG2-CG 4.5Å
218	L	46.9	Very low	45.3	Very low	52 Å²	52	103.9 Å²	103.9	27%	0.272	54%	0.537	S	S	.	.			trans	-91	126.8	171.4	-66.2	170.7	0	0	0	109.7	C2 V216 F220 K248 I250	C2-L218 HydrophobicContact CB-CD2 4.23Å; C2-L218 VanDerWaalsContact SG-CD2 3.56Å; V216-L218 HydrophobicContact CG1-CD2 4.44Å; V216-L218 HydrophobicContact CG1-CG 4.45Å; L218-F220 HydrophobicContact CB-CD2 4.35Å; L218-F220 HydrophobicContact CB-CE2 3.47Å; L218-F220 VanDerWaalsContact CB-CE2 3.47Å; L218-F220 HydrophobicContact CB-CZ 3.88Å; L218-F220 HydrophobicContact CD1-CE2 4.33Å; L218-F220 HydrophobicContact CD1-CZ 4.11Å; L218-F220 HydrophobicContact CG-CE2 4.48Å; L218-F220 HydrophobicContact CG-CZ 4.49Å; L218-K248 HydrophobicContact CD1-CB 4.39Å; L218-K248 HydrophobicContact CD1-CG 4.44Å; L218-I250 HydrophobicContact CD1-CD1 4.01Å
219	K	42.7	Very low	46.4	Very low	198 Å²	198	100 Å²	100	86%	0.861	52%	0.524	S	S	*	.			trans	-110.2	116.8	174.3	-69.2	-175.7	-179.1	178.6	0	108.9	T217	T217-K219 HydrophobicContact CG2-CG 4.5Å
220	F	42.7	Very low	48.2	Very low	88 Å²	88	96.3 Å²	96.3	39%	0.386	50%	0.499	S	S	.	.			trans	-101	150.9	175.3	-59.7	-91.6	0	0	0	110.8	L218 V223 Y231 I250	L218-F220 HydrophobicContact CB-CD2 4.35Å; L218-F220 HydrophobicContact CB-CE2 3.47Å; L218-F220 VanDerWaalsContact CB-CE2 3.47Å; L218-F220 HydrophobicContact CB-CZ 3.88Å; L218-F220 HydrophobicContact CD1-CE2 4.33Å; L218-F220 HydrophobicContact CD1-CZ 4.11Å; L218-F220 HydrophobicContact CG-CE2 4.48Å; L218-F220 HydrophobicContact CG-CZ 4.49Å; F220-V223 HydrophobicContact CB-CG2 3.41Å; F220-V223 VanDerWaalsContact CB-CG2 3.41Å; F220-V223 HydrophobicContact CG-CG2 4.2Å; F220-Y231 HydrophobicContact CE1-CE1 4.31Å; F220-I250 HydrophobicContact CE1-CD1 4.09Å; F220-I250 HydrophobicContact CE2-CD1 3.42Å; F220-I250 VanDerWaalsContact CE2-CD1 3.42Å; F220-I250 HydrophobicContact CZ-CD1 3.1Å
221	K	38.6	Very low	49.7	Very low	146 Å²	146	94 Å²	94	64%	0.635	48%	0.482	S	S	*	.	S	Bend	trans	-128.9	127.2	171.7	-161.4	-170.4	-176.8	-172.3	0	107.3
222	Y	38.8	Very low	51.4	Low	186 Å²	186	87.4 Å²	87.4	73%	0.729	44%	0.442	S	S	*	.	S	Bend	trans	57.5	73.6	-177.6	-48.5	-70	0	0	0	113.7
223	V	43.9	Very low	52.6	Low	50 Å²	50	85.5 Å²	85.5	30%	0.303	43%	0.43	S	S	.	.			trans	-88.3	131.9	-178.4	-165	0	0	0	0	110.7	F220 D227 V252	F220-V223 HydrophobicContact CB-CG2 3.41Å; F220-V223 VanDerWaalsContact CB-CG2 3.41Å; F220-V223 HydrophobicContact CG-CG2 4.2Å; V223-D227 WeakPolarHBondContact CA-OD2 3.47Å; V223-D227 HydrophobicContact CG1-CB 3.82Å; V223-V252 HydrophobicContact CG1-CB 4.16Å; V223-V252 HydrophobicContact CG1-CG1 3.74Å; V223-V252 HydrophobicContact CG1-CG2 3.37Å
224	L	49.7	Very low	53.8	Low	118 Å²	118	80 Å²	80	62%	0.618	41%	0.405	S	S	*	.			trans	-110.8	162.9	173.9	-60.6	175	0	0	0	110.7	N226 D227	L224-N226 PolarHBondContact O-N 2.8Å; L224-D227 PolarHBondContact N-OD2 2.92Å; L224-D227 VanDerWaalsContact O-CB 3.3Å; L224-D227 WeakPolarHBondContact O-CB 3.34Å; L224-D227 PolarHBondContact O-N 3.03Å
225	E	56.6	Low	54.6	Low	81 Å²	81	78.9 Å²	78.9	38%	0.379	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-55.2	-36	176.9	-171.6	174.3	178.7	0	0	111.5	D227 S228 R256	E225-D227 PolarHBondContact O-N 2.93Å; E225-S228 WeakPolarHBondContact O-CB 3.4Å; E225-S228 PolarHBondContact O-N 3.24Å; E225-S228 PolarHBondContact O-OG 2.94Å; E225-R256 IonicContact OE1-CZ 2.63Å; E225-R256 IonicContact OE1-NE 2.76Å; E225-R256 IonicContact OE1-NH2 3.58Å; E225-R256 PolarHBondContact OE1-NH2 2.76Å
226	N	62.4	Low	55.2	Low	138 Å²	138	79.4 Å²	79.4	74%	0.738	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-65.2	-14.7	175.7	-70.5	-9.5	0	0	0	114.3	K4 L224	K4-N226 PolarHBondContact NZ-O 3.09Å; L224-N226 PolarHBondContact O-N 2.8Å
227	D	61.8	Low	55.7	Low	54 Å²	54	79.8 Å²	79.8	29%	0.289	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-80	-6.7	172.2	-62.5	-44.8	0	0	0	112.1	V223 L224 E225 G229 Y231 V252	V223-D227 WeakPolarHBondContact CA-OD2 3.47Å; V223-D227 HydrophobicContact CG1-CB 3.82Å; L224-D227 PolarHBondContact N-OD2 2.92Å; L224-D227 VanDerWaalsContact O-CB 3.3Å; L224-D227 WeakPolarHBondContact O-CB 3.34Å; L224-D227 PolarHBondContact O-N 3.03Å; E225-D227 PolarHBondContact O-N 2.93Å; D227-G229 PolarHBondContact O-N 3.48Å; D227-Y231 WeakPolarHBondContact O-CE2 3.5Å; D227-Y231 PolarHBondContact O-OH 3.3Å; D227-V252 HydrophobicContact CB-CG2 4.48Å
228	S	64.4	Low	56.1	Low	36 Å²	36	79.4 Å²	79.4	25%	0.252	41%	0.408	S	S	.	.			trans	-58.6	136.5	170	-60.5	0	0	0	0	111.1	K4 E225 I250 V252	K4-S228 WeakPolarHBondContact CE-O 3.49Å; K4-S228 PolarHBondContact NZ-O 3.49Å; E225-S228 WeakPolarHBondContact O-CB 3.4Å; E225-S228 PolarHBondContact O-N 3.24Å; E225-S228 PolarHBondContact O-OG 2.94Å; S228-I250 CarbonylContact C-O 3.6Å; S228-I250 VanDerWaalsContact CA-O 3.27Å; S228-I250 WeakPolarHBondContact CA-O 3.18Å; S228-V252 WeakPolarHBondContact OG-CA 3.26Å; S228-V252 VanDerWaalsContact OG-CB 3.3Å; S228-V252 WeakPolarHBondContact OG-CB 3.42Å; S228-V252 PolarHBondContact OG-N 2.74Å; S228-V252 PolarHBondContact OG-O 2.99Å
229	G	66.6	Low	56.5	Low	19 Å²	19	85.7 Å²	85.7	20%	0.196	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154.4	-175.7	173.8	0	0	0	0	0	113	D227 Y231 N249 I250	D227-G229 PolarHBondContact O-N 3.48Å; G229-Y231 WeakPolarHBondContact O-CD2 3.35Å; G229-N249 PolarHBondContact O-OD1 2.76Å; G229-I250 PolarHBondContact N-O 2.8Å; G229-I250 PolarHBondContact O-N 2.74Å
230	I	68.5	Low	57.5	Low	56 Å²	56	80.5 Å²	80.5	29%	0.287	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	128.3	179.2	-60.9	177.2	0	0	0	108.9	K4 A5 V11 T247 N249	K4-I230 CarbonylContact C-O 3.49Å; A5-I230 HydrophobicContact CB-CB 4.12Å; A5-I230 HydrophobicContact CB-CG2 4.21Å; A5-I230 WeakPolarHBondContact CB-O 3.38Å; A5-I230 PolarHBondContact N-O 2.82Å; V11-I230 HydrophobicContact CB-CG2 4.36Å; V11-I230 HydrophobicContact CG1-CG2 4.01Å; V11-I230 HydrophobicContact CG2-CG2 4.07Å; I230-T247 HydrophobicContact CG2-CG2 3.12Å; I230-N249 HydrophobicContact CG1-CB 4.32Å
231	Y	64.5	Low	58.4	Low	27 Å²	27	78.6 Å²	78.6	11%	0.106	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.6	175.7	-74.3	-99.8	0	0	0	110.4	R3 K4 F220 D227 G229 T247 K248 I250	R3-Y231 CarbonylContact O-C 3.57Å; R3-Y231 WeakPolarHBondContact O-CA 3.22Å; K4-Y231 HydrophobicContact CB-CD1 4.23Å; K4-Y231 HydrophobicContact CB-CE1 3.9Å; K4-Y231 HydrophobicContact CG-CE1 4.24Å; K4-Y231 HydrophobicContact CG-CE2 4.21Å; F220-Y231 HydrophobicContact CE1-CE1 4.31Å; D227-Y231 WeakPolarHBondContact O-CE2 3.5Å; D227-Y231 PolarHBondContact O-OH 3.3Å; G229-Y231 WeakPolarHBondContact O-CD2 3.35Å; Y231-T247 CarbonylContact O-C 3.49Å; Y231-T247 WeakPolarHBondContact O-CA 3.29Å; Y231-K248 PolarHBondContact N-O 3.07Å; Y231-K248 PolarHBondContact O-N 3.09Å; Y231-I250 HydrophobicContact CD2-CB 4.19Å; Y231-I250 HydrophobicContact CD2-CD1 3.64Å; Y231-I250 HydrophobicContact CD2-CG1 3.95Å; Y231-I250 HydrophobicContact CE2-CB 4.28Å; Y231-I250 HydrophobicContact CE2-CD1 4.04Å; Y231-I250 HydrophobicContact CE2-CG1 4.44Å; Y231-I250 HydrophobicContact CG-CD1 4.2Å
232	V	68	Low	59.6	Low	7 Å²	7	78.4 Å²	78.4	4%	0.042	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.9	177	-175.2	0	0	0	0	108.9	C2 R3 A5 V11 Q245 T247	C2-V232 WeakPolarHBondContact CA-O 3.27Å; R3-V232 PolarHBondContact N-O 2.74Å; R3-V232 PolarHBondContact O-N 2.62Å; A5-V232 HydrophobicContact CB-CG2 4.3Å; V11-V232 HydrophobicContact CG2-CG2 4.44Å; V232-Q245 HydrophobicContact CG1-CB 4.36Å; V232-Q245 HydrophobicContact CG1-CG 4.46Å; V232-T247 HydrophobicContact CG2-CG2 4.03Å
233	C	64.1	Low	60.8	Low	0 Å²	0	74.1 Å²	74.1	0%	0	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	121.4	178.7	-68.4	0	0	0	0	110.2	M1 C2 Q245 V246	M1-C233 CarbonylContact O-C 3.55Å; M1-C233 WeakPolarHBondContact O-CA 3.27Å; C2-C233 HydrophobicContact CB-CB 4.12Å; C2-C233 WeakPolarHBondContact CB-SG 3.46Å; C2-C233 WeakPolarHBondContact SG-CB 3.36Å; C2-C233 CovalentContact SG-SG 2.04Å; C2-C233 PolarHBondContact SG-SG 3.23Å; C233-Q245 CarbonylContact O-C 3.56Å; C233-Q245 WeakPolarHBondContact O-CA 3.11Å; C233-V246 PolarHBondContact N-O 3.18Å; C233-V246 PolarHBondContact O-N 2.86Å
234	S	66.4	Low	61.7	Low	50 Å²	50	72.7 Å²	72.7	35%	0.35	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	119.9	167.4	-63.6	0	0	0	0	109.7	M1 A244	M1-S234 PolarHBondContact N-O 2.81Å; M1-S234 PolarHBondContact O-N 3.46Å; S234-A244 CarbonylContact C-O 3.52Å; S234-A244 WeakPolarHBondContact CA-O 3.49Å
235	C	60	Low	62.4	Low	34 Å²	34	73.5 Å²	73.5	23%	0.23	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	134.1	179.9	-64.3	0	0	0	0	109.1	T243 A244	C235-T243 CarbonylContact O-C 3.53Å; C235-T243 WeakPolarHBondContact O-CA 3.24Å; C235-A244 PolarHBondContact N-O 3.42Å; C235-A244 PolarHBondContact O-N 2.88Å
236	K	60	Low	62.8	Low	173 Å²	173	70.3 Å²	70.3	75%	0.752	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	128	170.8	-80.2	-174.6	176.1	-176.3	0	109.3	T243	K236-T243 HydrophobicContact CG-CG2 3.61Å
237	L	56.4	Low	62.7	Low	45 Å²	45	65.6 Å²	65.6	24%	0.236	37%	0.372	C	S	.	.			trans	-68.2	128.7	172.1	-77.7	166.9	0	0	0	110	F214 E239 N240 G241 K242	F214-L237 HydrophobicContact CD1-CD2 4.2Å; F214-L237 HydrophobicContact CE1-CD2 3.13Å; F214-L237 HydrophobicContact CE1-CG 4.17Å; F214-L237 HydrophobicContact CZ-CD1 4.44Å; F214-L237 HydrophobicContact CZ-CD2 3.5Å; F214-L237 HydrophobicContact CZ-CG 4.16Å; L237-E239 VanDerWaalsContact C-N 3.28Å; L237-E239 PolarHBondContact O-N 3.3Å; L237-N240 VanDerWaalsContact CB-OD1 3.27Å; L237-N240 WeakPolarHBondContact CB-OD1 3.37Å; L237-G241 VanDerWaalsContact O-CA 3.23Å; L237-G241 WeakPolarHBondContact O-CA 3.32Å; L237-G241 PolarHBondContact O-N 3.02Å; L237-K242 WeakPolarHBondContact CB-O 3.22Å; L237-K242 HydrophobicContact CD1-CB 4.11Å; L237-K242 PolarHBondContact N-O 2.89Å
238	A	55.9	Low	62.6	Low	109 Å²	109	64.1 Å²	64.1	90%	0.901	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-35.7	175.2	0	0	0	0	0	111.9	N240	A238-N240 PolarHBondContact O-N 2.86Å
239	E	55.8	Low	62.5	Low	184 Å²	184	65 Å²	65	86%	0.86	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-30.4	-170.6	-65.9	179.3	169.6	0	0	114.3	L237	L237-E239 VanDerWaalsContact C-N 3.28Å; L237-E239 PolarHBondContact O-N 3.3Å
240	N	62.3	Low	62.1	Low	89 Å²	89	64.6 Å²	64.6	48%	0.476	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.3	6.4	-175.2	61.7	17.2	0	0	0	114.2	L237 A238 K242	L237-N240 VanDerWaalsContact CB-OD1 3.27Å; L237-N240 WeakPolarHBondContact CB-OD1 3.37Å; A238-N240 PolarHBondContact O-N 2.86Å; N240-K242 PolarHBondContact O-N 2.8Å; N240-K242 VanDerWaalsContact OD1-CB 3.27Å; N240-K242 WeakPolarHBondContact OD1-CB 3.45Å; N240-K242 WeakPolarHBondContact OD1-CG 3.37Å; N240-K242 PolarHBondContact OD1-N 3.07Å
241	G	61.9	Low	61.5	Low	48 Å²	48	65 Å²	65	50%	0.495	36%	0.362	S	S	.	.			trans	67.7	-1	-179.1	0	0	0	0	0	115.2	L237	L237-G241 VanDerWaalsContact O-CA 3.23Å; L237-G241 WeakPolarHBondContact O-CA 3.32Å; L237-G241 PolarHBondContact O-N 3.02Å
242	K	64.8	Low	60.7	Low	142 Å²	142	64.3 Å²	64.3	62%	0.617	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-66.7	142.2	179.7	-67.7	-175.3	-179.2	-178.9	0	110.1	L237 N240	L237-K242 WeakPolarHBondContact CB-O 3.22Å; L237-K242 HydrophobicContact CD1-CB 4.11Å; L237-K242 PolarHBondContact N-O 2.89Å; N240-K242 PolarHBondContact O-N 2.8Å; N240-K242 VanDerWaalsContact OD1-CB 3.27Å; N240-K242 WeakPolarHBondContact OD1-CB 3.45Å; N240-K242 WeakPolarHBondContact OD1-CG 3.37Å; N240-K242 PolarHBondContact OD1-N 3.07Å
243	T	64.2	Low	59.7	Low	96 Å²	96	67.5 Å²	67.5	59%	0.589	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	123.2	172.6	44.1	0	0	0	0	110	C235 K236	C235-T243 CarbonylContact O-C 3.53Å; C235-T243 WeakPolarHBondContact O-CA 3.24Å; K236-T243 HydrophobicContact CG-CG2 3.61Å
244	A	62.6	Low	58.7	Low	20 Å²	20	71.5 Å²	71.5	17%	0.165	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	150.5	166.8	0	0	0	0	0	109.9	F214 S234 C235	F214-A244 HydrophobicContact CD2-CB 4.3Å; F214-A244 HydrophobicContact CE2-CB 3.43Å; F214-A244 VanDerWaalsContact CE2-CB 3.43Å; F214-A244 HydrophobicContact CZ-CB 3.8Å; S234-A244 CarbonylContact C-O 3.52Å; S234-A244 WeakPolarHBondContact CA-O 3.49Å; C235-A244 PolarHBondContact N-O 3.42Å; C235-A244 PolarHBondContact O-N 2.88Å
245	Q	64.2	Low	57.5	Low	136 Å²	136	74.4 Å²	74.4	64%	0.636	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	136	171.2	-69.8	-172.7	-1.5	0	0	109.9	V232 C233	V232-Q245 HydrophobicContact CG1-CB 4.36Å; V232-Q245 HydrophobicContact CG1-CG 4.46Å; C233-Q245 CarbonylContact O-C 3.56Å; C233-Q245 WeakPolarHBondContact O-CA 3.11Å
246	V	64.1	Low	56.3	Low	14 Å²	14	80.5 Å²	80.5	9%	0.085	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.2	173.8	-179.2	0	0	0	0	107.5	P212 F214 V216 C233	P212-V246 HydrophobicContact CB-CG1 4.49Å; F214-V246 HydrophobicContact CB-CG2 4.32Å; F214-V246 HydrophobicContact CD2-CG2 3.62Å; F214-V246 HydrophobicContact CG-CG2 4.38Å; V216-V246 HydrophobicContact CG2-CB 4.47Å; V216-V246 HydrophobicContact CG2-CG2 4.29Å; C233-V246 PolarHBondContact N-O 3.18Å; C233-V246 PolarHBondContact O-N 2.86Å
247	T	60.1	Low	55	Low	39 Å²	39	73.9 Å²	73.9	24%	0.239	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	137.8	178.3	-46.1	0	0	0	0	110.6	V11 I230 Y231 V232	V11-T247 HydrophobicContact CB-CG2 4.45Å; V11-T247 HydrophobicContact CG1-CG2 3.2Å; I230-T247 HydrophobicContact CG2-CG2 3.12Å; Y231-T247 CarbonylContact O-C 3.49Å; Y231-T247 WeakPolarHBondContact O-CA 3.29Å; V232-T247 HydrophobicContact CG2-CG2 4.03Å
248	K	60	Low	53.9	Low	23 Å²	23	76.3 Å²	76.3	10%	0.1	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	125.3	176.6	-64	-68.9	179.2	171.2	0	109.3	E208 L218 Y231	E208-K248 IonicContact OE1-NZ 3.32Å; E208-K248 PolarHBondContact OE1-NZ 3.11Å; E208-K248 IonicContact OE2-NZ 2.59Å; E208-K248 PolarHBondContact OE2-NZ 3.23Å; L218-K248 HydrophobicContact CD1-CB 4.39Å; L218-K248 HydrophobicContact CD1-CG 4.44Å; Y231-K248 PolarHBondContact N-O 3.07Å; Y231-K248 PolarHBondContact O-N 3.09Å
249	N	62.1	Low	52.7	Low	54 Å²	54	76.6 Å²	76.6	29%	0.289	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	124.5	168.6	-171.6	3.7	0	0	0	108.9	V15 G229 I230	V15-N249 WeakPolarHBondContact CG1-ND2 3.16Å; V15-N249 HydrophobicContact CG2-CB 4.43Å; G229-N249 PolarHBondContact O-OD1 2.76Å; I230-N249 HydrophobicContact CG1-CB 4.32Å
250	I	58.2	Low	51.4	Low	11 Å²	11	70.5 Å²	70.5	6%	0.056	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	114.5	179.1	-56.9	-176.1	0	0	0	107	L218 F220 S228 G229 Y231 V252	L218-I250 HydrophobicContact CD1-CD1 4.01Å; F220-I250 HydrophobicContact CE1-CD1 4.09Å; F220-I250 HydrophobicContact CE2-CD1 3.42Å; F220-I250 VanDerWaalsContact CE2-CD1 3.42Å; F220-I250 HydrophobicContact CZ-CD1 3.1Å; S228-I250 CarbonylContact C-O 3.6Å; S228-I250 VanDerWaalsContact CA-O 3.27Å; S228-I250 WeakPolarHBondContact CA-O 3.18Å; G229-I250 PolarHBondContact N-O 2.8Å; G229-I250 PolarHBondContact O-N 2.74Å; Y231-I250 HydrophobicContact CD2-CB 4.19Å; Y231-I250 HydrophobicContact CD2-CD1 3.64Å; Y231-I250 HydrophobicContact CD2-CG1 3.95Å; Y231-I250 HydrophobicContact CE2-CB 4.28Å; Y231-I250 HydrophobicContact CE2-CD1 4.04Å; Y231-I250 HydrophobicContact CE2-CG1 4.44Å; Y231-I250 HydrophobicContact CG-CD1 4.2Å; I250-V252 HydrophobicContact CG2-CG2 4.05Å
251	V	55.7	Low	49.7	Very low	64 Å²	64	71 Å²	71	39%	0.388	38%	0.382	S	S	.	.			trans	-101.6	114.2	173.6	-177.6	0	0	0	0	107.5
252	V	47.8	Very low	47.9	Very low	13 Å²	13	76 Å²	76	8%	0.079	39%	0.394	C	S	.	.			trans	-100.6	81.5	171.7	-170.4	0	0	0	0	106.2	L204 V223 D227 S228 I250 L254	L204-V252 HydrophobicContact CD2-CG1 4.05Å; V223-V252 HydrophobicContact CG1-CB 4.16Å; V223-V252 HydrophobicContact CG1-CG1 3.74Å; V223-V252 HydrophobicContact CG1-CG2 3.37Å; D227-V252 HydrophobicContact CB-CG2 4.48Å; S228-V252 WeakPolarHBondContact OG-CA 3.26Å; S228-V252 VanDerWaalsContact OG-CB 3.3Å; S228-V252 WeakPolarHBondContact OG-CB 3.42Å; S228-V252 PolarHBondContact OG-N 2.74Å; S228-V252 PolarHBondContact OG-O 2.99Å; I250-V252 HydrophobicContact CG2-CG2 4.05Å; V252-L254 PolarHBondContact O-N 3.27Å
253	S	46.7	Very low	45.9	Very low	74 Å²	74	78.8 Å²	78.8	52%	0.517	40%	0.402	S	S	.	.			trans	-76.9	119	170.4	55.7	0	0	0	0	108.6	E255	S253-E255 PolarHBondContact O-N 2.58Å
254	L	43.5	Very low	44	Very low	84 Å²	84	81 Å²	81	44%	0.44	41%	0.405	S	S	.	.			trans	-64.1	119.9	147.3	-147.2	81	0	0	0	104.4	L202 V252 R256	L202-L254 HydrophobicContact CD1-CD1 4.5Å; V252-L254 PolarHBondContact O-N 3.27Å; L254-R256 PolarHBondContact O-N 3.33Å
255	E	42.1	Very low	42.1	Very low	110 Å²	110	89 Å²	89	51%	0.514	44%	0.442	S	S	.	.			trans	-59.2	100.6	163.5	-81.7	178.1	160.9	0	0	105.5	L202 S253 L257	L202-E255 HydrophobicContact CD2-CB 4.44Å; S253-E255 PolarHBondContact O-N 2.58Å; E255-L257 PolarHBondContact O-N 3.45Å
256	R	34.1	Very low	40	Very low	163 Å²	163	89.1 Å²	89.1	62%	0.615	45%	0.445	S	S	*	.			trans	-63.4	111.6	-164.5	-78.9	-174.3	176.1	179.4	-1.4	109.6	E225 L254 T258	E225-R256 IonicContact OE1-CZ 2.63Å; E225-R256 IonicContact OE1-NE 2.76Å; E225-R256 IonicContact OE1-NH2 3.58Å; E225-R256 PolarHBondContact OE1-NH2 2.76Å; L254-R256 PolarHBondContact O-N 3.33Å; R256-T258 PolarHBondContact O-N 2.58Å
257	L	33.4	Very low	37.8	Very low	34 Å²	34	93 Å²	93	18%	0.178	47%	0.473	C	S	.	.	G	3₁₀ helix	trans	-78.2	-2.7	170.9	-118.6	133.8	0	0	0	113.5	L25 L120 L200 E255 D259 L260 L261	L25-L257 HydrophobicContact CD1-CD2 4.41Å; L120-L257 HydrophobicContact CD1-CD1 3.85Å; L200-L257 HydrophobicContact CD1-CD1 3.2Å; E255-L257 PolarHBondContact O-N 3.45Å; L257-D259 PolarHBondContact O-N 2.82Å; L257-L260 HydrophobicContact CB-CD1 4.44Å; L257-L260 HydrophobicContact CD2-CB 3.63Å; L257-L260 HydrophobicContact CD2-CD1 3.94Å; L257-L260 HydrophobicContact CD2-CG 4.42Å; L257-L260 HydrophobicContact CG-CB 4.12Å; L257-L260 HydrophobicContact CG-CD1 3.64Å; L257-L260 WeakPolarHBondContact O-CA 2.98Å; L257-L260 VanDerWaalsContact O-CB 3.29Å; L257-L260 WeakPolarHBondContact O-CB 3.44Å; L257-L260 PolarHBondContact O-N 2.97Å; L257-L261 PolarHBondContact O-N 3.04Å
258	T	32.5	Very low	36.1	Very low	95 Å²	95	102.2 Å²	102.2	58%	0.583	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-64.8	-28	179.9	44.1	0	0	0	0	112.7	R256 L260	R256-T258 PolarHBondContact O-N 2.58Å; T258-L260 PolarHBondContact O-N 2.85Å
259	D	31.1	Very low	34.5	Very low	115 Å²	115	111.3 Å²	111.3	62%	0.615	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-78.1	-10.1	173.4	-67.3	-9.6	0	0	0	112.6	L257	L257-D259 PolarHBondContact O-N 2.82Å
260	L	28.4	Very low	33.1	Very low	56 Å²	56	114.2 Å²	114.2	29%	0.293	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.1	-22.3	-176.8	-77.9	153.8	0	0	0	113.2	L25 L257 T258 M262	L25-L260 HydrophobicContact CB-CD2 3.67Å; L25-L260 HydrophobicContact CD1-CD1 3.35Å; L25-L260 HydrophobicContact CD1-CD2 3.84Å; L25-L260 HydrophobicContact CD1-CG 4.12Å; L25-L260 HydrophobicContact CG-CD1 4.49Å; L25-L260 HydrophobicContact CG-CD2 4.29Å; L257-L260 HydrophobicContact CB-CD1 4.44Å; L257-L260 HydrophobicContact CD2-CB 3.63Å; L257-L260 HydrophobicContact CD2-CD1 3.94Å; L257-L260 HydrophobicContact CD2-CG 4.42Å; L257-L260 HydrophobicContact CG-CB 4.12Å; L257-L260 HydrophobicContact CG-CD1 3.64Å; L257-L260 WeakPolarHBondContact O-CA 2.98Å; L257-L260 VanDerWaalsContact O-CB 3.29Å; L257-L260 WeakPolarHBondContact O-CB 3.44Å; L257-L260 PolarHBondContact O-N 2.97Å; T258-L260 PolarHBondContact O-N 2.85Å; L260-M262 VanDerWaalsContact C-N 3.32Å
261	L	27	Very low	31.8	Very low	100 Å²	100	119.6 Å²	119.6	52%	0.524	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.7	-8.4	170.3	-79.8	163.9	0	0	0	113.2	F117 L257 Y263	F117-L261 HydrophobicContact CB-CD1 4.3Å; F117-L261 HydrophobicContact CD1-CD1 3.61Å; F117-L261 HydrophobicContact CE1-CD1 4.37Å; F117-L261 HydrophobicContact CG-CD1 4.29Å; L257-L261 PolarHBondContact O-N 3.04Å; L261-Y263 VanDerWaalsContact C-N 3.32Å; L261-Y263 PolarHBondContact O-N 3.5Å
262	M	23.2	Very low	30.5	Very low	154 Å²	154	122.7 Å²	122.7	76%	0.759	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-9	178.3	-84.7	-153.5	74.8	0	0	114.9	L260	L260-M262 VanDerWaalsContact C-N 3.32Å
263	Y	23.6	Very low	29.5	Very low	199 Å²	199	129.2 Å²	129.2	78%	0.78	65%	0.647	S	S	*	*	S	Bend	trans	-122.5	73.3	176.5	-80	-86.9	0	0	0	111.4	L261	L261-Y263 VanDerWaalsContact C-N 3.32Å; L261-Y263 PolarHBondContact O-N 3.5Å
264	H	23.8	Very low	28.4	Very low	142 Å²	142	132.6 Å²	132.6	66%	0.657	66%	0.655	S	S	*	*	S	Bend	trans	172.3	45.3	137.7	-96.3	-60.4	0	0	0	114.5	I266	H264-I266 VanDerWaalsContact C-N 3.32Å
265	M	21.8	Very low	27.4	Very low	189 Å²	189	135.9 Å²	135.9	93%	0.931	67%	0.669	S	S	*	*	S	Bend	trans	-95.1	20	156	-85.7	-150.6	-63.3	0	0	113.1
266	I	20.8	Very low	26.3	Very low	139 Å²	139	137.7 Å²	137.7	71%	0.713	68%	0.68	S	S	*	*			trans	-118.9	131.5	173.7	-50.3	179	0	0	0	107.4	H264	H264-I266 VanDerWaalsContact C-N 3.32Å
267	S	18.9	Very low	25.7	Very low	96 Å²	96	135.8 Å²	135.8	67%	0.671	69%	0.685	S	S	*	*			trans	89	107	-171.8	-48.1	0	0	0	0	112
268	Y	23	Very low	25.1	Very low	232 Å²	232	144.3 Å²	144.3	91%	0.91	73%	0.728	S	S	*	*				-135.8	144.7	50.5	-78.5	-98.9	0	0	0	113.2
269	V	27.1	Very low	24.4	Very low	214 Å²	214	148.7 Å²	148.7	100%	1.297	74%	0.741	S	S	*	*			trans	-59.4	0	162	177.4	0	0	0	0	110.4

Retrieved 269 of 269 residues in 519.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).