A0A087XPX5_POEFO Loading...

trypsin

AlphaFold DB , UniProt , Accession A0A087XPX5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 251 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.3	Very low	42.8	Very low	252 Å²	252	151.3 Å²	151.3	100%	1.241	82%	0.824	S	S	*	*				0	121.4	0	-75.2	169.1	164.6	0	0	107.6
2	S	33.3	Very low	43.1	Very low	114 Å²	114	151.3 Å²	151.3	80%	0.797	82%	0.82	S	S	*	*			trans	-151.9	152.8	-179.9	40	0	0	0	0	107.8
3	P	42.6	Very low	43.5	Very low	126 Å²	126	151.8 Å²	151.8	82%	0.818	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-78	145.7	-156.8	29.2	-35.6	0	0	0	114.1
4	Q	41.5	Very low	43.7	Very low	188 Å²	188	148.4 Å²	148.4	88%	0.879	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-69.1	131.7	167.4	-68.5	170	-47.3	0	0	109.8	I6	Q4-I6 PolarHBondContact O-N 3.49Å
5	Q	41.7	Very low	44	Very low	195 Å²	195	145.2 Å²	145.2	91%	0.911	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-79.7	117.1	170.7	-69.7	-179.1	-44.4	0	0	109.7	A7	Q5-A7 PolarHBondContact O-N 3.31Å
6	I	46.8	Very low	44	Very low	157 Å²	157	148.2 Å²	148.2	81%	0.805	81%	0.809	S	S	*	*			trans	-83.4	109.4	171.6	-60.3	177.1	0	0	0	108	Q4 T8	Q4-I6 PolarHBondContact O-N 3.49Å; I6-T8 PolarHBondContact O-N 3.44Å
7	A	43.8	Very low	44	Very low	89 Å²	89	146.8 Å²	146.8	74%	0.736	81%	0.806	S	S	*	*			trans	-83.3	97	175.8	0	0	0	0	0	110.5	Q5 V9	Q5-A7 PolarHBondContact O-N 3.31Å; A7-V9 PolarHBondContact O-N 3.2Å; A7-V9 VanDerWaalsContact O-N 3.09Å
8	T	44.6	Very low	43.6	Very low	112 Å²	112	144.7 Å²	144.7	69%	0.687	80%	0.802	S	S	*	*			trans	-72.1	100.4	177.3	-50.4	0	0	0	0	111	I6 L10	I6-T8 PolarHBondContact O-N 3.44Å; T8-L10 HydrophobicContact CG2-CD1 4.04Å; T8-L10 PolarHBondContact O-N 3.09Å
9	V	47.8	Very low	43.4	Very low	112 Å²	112	142.6 Å²	142.6	68%	0.679	80%	0.798	S	S	*	*			trans	-76.1	102	174.3	-178.8	0	0	0	0	109.8	A7 F11	A7-V9 PolarHBondContact O-N 3.2Å; A7-V9 VanDerWaalsContact O-N 3.09Å; V9-F11 HydrophobicContact CG1-CD2 4.03Å; V9-F11 HydrophobicContact CG1-CE2 3.93Å; V9-F11 PolarHBondContact O-N 3.18Å
10	L	41.7	Very low	43.1	Very low	136 Å²	136	143.6 Å²	143.6	71%	0.712	80%	0.796	S	S	*	*			trans	-71.9	104.8	168.7	-95.2	77.3	0	0	0	110.1	T8 I12	T8-L10 HydrophobicContact CG2-CD1 4.04Å; T8-L10 PolarHBondContact O-N 3.09Å; L10-I12 PolarHBondContact O-N 2.96Å
11	F	40.9	Very low	42.8	Very low	183 Å²	183	144.9 Å²	144.9	80%	0.803	79%	0.794	S	S	*	*			trans	-71.3	94.3	162.8	-88.5	-91.2	0	0	0	109.8	V9 L13	V9-F11 HydrophobicContact CG1-CD2 4.03Å; V9-F11 HydrophobicContact CG1-CE2 3.93Å; V9-F11 PolarHBondContact O-N 3.18Å; F11-L13 VanDerWaalsContact C-N 3.34Å; F11-L13 PolarHBondContact O-N 3.05Å
12	I	46.3	Very low	42.5	Very low	151 Å²	151	140.1 Å²	140.1	77%	0.774	77%	0.773	S	S	*	*			trans	-71.1	93.8	169.1	-56.3	179.1	0	0	0	107.8	L10 S14	L10-I12 PolarHBondContact O-N 2.96Å; I12-S14 VanDerWaalsContact C-N 3.28Å; I12-S14 PolarHBondContact O-N 2.92Å
13	L	48.1	Very low	42.9	Very low	159 Å²	159	138 Å²	138	83%	0.832	75%	0.752	S	S	*	*			trans	-65	90.3	168.3	-81.8	166.4	0	0	0	109.1	F11 S15	F11-L13 VanDerWaalsContact C-N 3.34Å; F11-L13 PolarHBondContact O-N 3.05Å; L13-S15 VanDerWaalsContact C-N 3.29Å; L13-S15 PolarHBondContact O-N 2.87Å
14	S	47.1	Very low	42.8	Very low	104 Å²	104	133.7 Å²	133.7	73%	0.727	73%	0.727	S	S	*	*			trans	-66.9	90.7	170.3	-174.2	0	0	0	0	109	I12 K16	I12-S14 VanDerWaalsContact C-N 3.28Å; I12-S14 PolarHBondContact O-N 2.92Å; S14-K16 VanDerWaalsContact C-N 3.34Å; S14-K16 PolarHBondContact O-N 2.77Å
15	S	47.8	Very low	42.6	Very low	100 Å²	100	129.6 Å²	129.6	70%	0.699	70%	0.704	S	S	*	*			trans	-64	96.3	167.1	44	0	0	0	0	108.4	L13 V17	L13-S15 VanDerWaalsContact C-N 3.29Å; L13-S15 PolarHBondContact O-N 2.87Å; S15-V17 PolarHBondContact O-N 3.27Å
16	K	43.3	Very low	43	Very low	193 Å²	193	120.5 Å²	120.5	84%	0.839	66%	0.661	S	S	*	*			trans	-61.7	90.7	163.1	-80.3	-171.8	175	-178.2	0	108	S14 C18	S14-K16 VanDerWaalsContact C-N 3.34Å; S14-K16 PolarHBondContact O-N 2.77Å; K16-C18 PolarHBondContact O-N 2.81Å
17	V	44.9	Very low	43.3	Very low	125 Å²	125	114.2 Å²	114.2	76%	0.758	63%	0.629	S	S	*	*			trans	-63.6	91.8	165.4	179.7	0	0	0	0	106.3	S15 S19	S15-V17 PolarHBondContact O-N 3.27Å; V17-S19 VanDerWaalsContact C-N 3.28Å; V17-S19 PolarHBondContact O-N 2.88Å
18	C	36.9	Very low	44.1	Very low	108 Å²	108	111.5 Å²	111.5	73%	0.73	61%	0.609	S	S	*	*			trans	-68.2	94.4	171.8	-168.6	0	0	0	0	106.9	K16 Q20	K16-C18 PolarHBondContact O-N 2.81Å; C18-Q20 VanDerWaalsContact C-N 3.3Å; C18-Q20 PolarHBondContact O-N 2.71Å
19	S	38.9	Very low	45.4	Very low	106 Å²	106	106.2 Å²	106.2	74%	0.741	58%	0.578	S	S	*	*			trans	-64.3	93.2	176.4	-172.4	0	0	0	0	108.5	V17 K21	V17-S19 VanDerWaalsContact C-N 3.28Å; V17-S19 PolarHBondContact O-N 2.88Å; S19-K21 PolarHBondContact O-N 2.79Å
20	Q	38.4	Very low	47.2	Very low	161 Å²	161	107.6 Å²	107.6	75%	0.752	58%	0.577	S	S	*	*			trans	-65.3	108.6	176.6	-75.8	-163	-9.8	0	0	108.6	C18 L22	C18-Q20 VanDerWaalsContact C-N 3.3Å; C18-Q20 PolarHBondContact O-N 2.71Å; Q20-L22 PolarHBondContact O-N 2.83Å
21	K	36.3	Very low	49.6	Very low	171 Å²	171	105.5 Å²	105.5	74%	0.743	56%	0.563	S	S	*	*			trans	-71.7	100.6	178.6	-160.4	171.2	179.8	-85.2	0	108.2	S19 D23	S19-K21 PolarHBondContact O-N 2.79Å; K21-D23 IonicContact NZ-OD2 3.62Å; K21-D23 PolarHBondContact NZ-OD2 2.91Å; K21-D23 PolarHBondContact O-N 3.03Å
22	L	39.8	Very low	52.2	Low	153 Å²	153	97.5 Å²	97.5	80%	0.801	53%	0.529	S	S	*	.			trans	-71.4	66.8	-177.1	-72.6	169.7	0	0	0	112.4	Q20 A24	Q20-L22 PolarHBondContact O-N 2.83Å; L22-A24 VanDerWaalsContact C-N 3.27Å; L22-A24 PolarHBondContact O-N 3.23Å
23	D	42.5	Very low	54.5	Low	69 Å²	69	97.6 Å²	97.6	37%	0.369	53%	0.526	S	S	.	.			trans	-89.2	57	174.6	-96.6	-54.3	0	0	0	111.9	K21 R25 R166	K21-D23 IonicContact NZ-OD2 3.62Å; K21-D23 PolarHBondContact NZ-OD2 2.91Å; K21-D23 PolarHBondContact O-N 3.03Å; D23-R25 IonicContact OD1-CZ 3.01Å; D23-R25 VanDerWaalsContact OD1-CZ 3.29Å; D23-R25 IonicContact OD1-NE 2.72Å; D23-R25 PolarHBondContact OD1-NE 2.89Å; D23-R25 IonicContact OD1-NH2 3.78Å; D23-R25 PolarHBondContact OD1-NH2 2.72Å; D23-R166 PolarHBondContact O-NH2 3.01Å
24	A	39.5	Very low	56.7	Low	35 Å²	35	92.7 Å²	92.7	29%	0.289	50%	0.504	S	S	.	.			trans	-104.1	83.6	178.3	0	0	0	0	0	111.2	L22 I26 G28 G29	L22-A24 VanDerWaalsContact C-N 3.27Å; L22-A24 PolarHBondContact O-N 3.23Å; A24-I26 CarbonylContact C-O 3.54Å; A24-I26 VanDerWaalsContact C-O 3.22Å; A24-I26 VanDerWaalsContact O-O 3.08Å; A24-G28 PolarHBondContact O-N 3.12Å; A24-G28 VanDerWaalsContact O-N 3.09Å; A24-G29 CarbonylContact C-O 3.51Å; A24-G29 WeakPolarHBondContact CA-O 3.37Å
25	R	36.6	Very low	59	Low	102 Å²	102	89.3 Å²	89.3	39%	0.385	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.1	108.6	-169	-57.7	-179.7	-67	93.9	-0.3	110.3	D23 G29 T154 R166	D23-R25 IonicContact OD1-CZ 3.01Å; D23-R25 VanDerWaalsContact OD1-CZ 3.29Å; D23-R25 IonicContact OD1-NE 2.72Å; D23-R25 PolarHBondContact OD1-NE 2.89Å; D23-R25 IonicContact OD1-NH2 3.78Å; D23-R25 PolarHBondContact OD1-NH2 2.72Å; R25-G29 PolarHBondContact N-O 2.73Å; R25-G29 VanDerWaalsContact N-O 3.07Å; R25-T154 VanDerWaalsContact C-CB 3.43Å; R25-T154 WeakPolarHBondContact O-CB 3.29Å; R25-T154 VanDerWaalsContact O-CG2 3.31Å; R25-T154 WeakPolarHBondContact O-CG2 3.45Å; R25-R166 WeakPolarHBondContact O-CD 3.3Å; R25-R166 VanDerWaalsContact O-CZ 3.24Å; R25-R166 PolarHBondContact O-NE 2.57Å
26	I	50.9	Low	61.3	Low	5 Å²	5	87.4 Å²	87.4	3%	0.026	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	cis	-4.8	133.8	-8.5	-73.3	-66.7	0	0	0	115.2	A24 G28 G29 G152 R166 V168 D204	A24-I26 CarbonylContact C-O 3.54Å; A24-I26 VanDerWaalsContact C-O 3.22Å; A24-I26 VanDerWaalsContact O-O 3.08Å; I26-G28 PolarHBondContact O-N 3Å; I26-G29 WeakPolarHBondContact O-CA 3.25Å; I26-G29 PolarHBondContact O-N 2.72Å; I26-G152 VanDerWaalsContact CD1-O 3.27Å; I26-G152 WeakPolarHBondContact CD1-O 3.43Å; I26-R166 HydrophobicContact CB-CB 4.05Å; I26-R166 HydrophobicContact CG1-CB 3.75Å; I26-R166 HydrophobicContact CG1-CG 4.44Å; I26-V168 HydrophobicContact CG2-CB 4.24Å; I26-V168 HydrophobicContact CG2-CG1 4.01Å; I26-D204 WeakPolarHBondContact CD1-OD2 3.08Å
27	I	52.6	Low	63.9	Low	25 Å²	25	79.2 Å²	79.2	13%	0.128	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	109.7	-166.3	-39.8	-178.6	0	0	0	110.2	G29 V156 G197 K198 C225 A226	I27-G29 PolarHBondContact O-N 3.29Å; I27-V156 HydrophobicContact CD1-CG2 3.68Å; I27-G197 CarbonylContact C-O 3.36Å; I27-G197 VanDerWaalsContact C-O 3.32Å; I27-K198 WeakPolarHBondContact O-CA 3.33Å; I27-C225 HydrophobicContact CD1-CB 3.64Å; I27-A226 HydrophobicContact CB-CB 3.99Å; I27-A226 HydrophobicContact CD1-CB 3.71Å; I27-A226 HydrophobicContact CG1-CB 4.43Å; I27-A226 HydrophobicContact CG2-CB 3.73Å
28	G	61.8	Low	66.4	Low	31 Å²	31	77.1 Å²	77.1	32%	0.32	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	11.8	-177.7	0	0	0	0	0	115.9	A24 I26 G197 K198	A24-G28 PolarHBondContact O-N 3.12Å; A24-G28 VanDerWaalsContact O-N 3.09Å; I26-G28 PolarHBondContact O-N 3Å; G28-G197 WeakPolarHBondContact CA-O 3.47Å; G28-G197 PolarHBondContact N-O 3.07Å; G28-K198 WeakPolarHBondContact O-CE 3.46Å
29	G	70.8	Confident	69.3	Low	2 Å²	2	73.9 Å²	73.9	2%	0.021	38%	0.381	C	S	.	.			trans	-112.4	149.8	-177.2	0	0	0	0	0	114.3	A24 R25 I26 I27 R166 A167	A24-G29 CarbonylContact C-O 3.51Å; A24-G29 WeakPolarHBondContact CA-O 3.37Å; R25-G29 PolarHBondContact N-O 2.73Å; R25-G29 VanDerWaalsContact N-O 3.07Å; I26-G29 WeakPolarHBondContact O-CA 3.25Å; I26-G29 PolarHBondContact O-N 2.72Å; I27-G29 PolarHBondContact O-N 3.29Å; G29-R166 PolarHBondContact O-NE 3.01Å; G29-R166 PolarHBondContact O-NH2 3.1Å; G29-A167 CarbonylContact C-O 3.24Å; G29-A167 VanDerWaalsContact CA-O 3.23Å; G29-A167 WeakPolarHBondContact CA-O 3.34Å
30	Q	85.8	Confident	72.2	Confident	141 Å²	141	69 Å²	69	66%	0.659	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	160.6	-174.5	64.8	-169.1	12	0	0	112.3	R166 A167	Q30-R166 VanDerWaalsContact O-CA 3.25Å; Q30-R166 WeakPolarHBondContact O-CA 3.39Å; Q30-R166 VanDerWaalsContact O-CB 3.31Å; Q30-R166 WeakPolarHBondContact O-CB 3.36Å; Q30-A167 PolarHBondContact N-O 3.27Å; Q30-A167 PolarHBondContact O-N 3.36Å
31	E	93.1	Very high	75	Confident	92 Å²	92	61.3 Å²	61.3	43%	0.43	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	139.6	165.1	-172.7	174.1	165.2	0	0	109	H82 V164 R166	E31-H82 IonicContact OE1-CE1 2.7Å; E31-H82 IonicContact OE1-NE2 2.57Å; E31-H82 PolarHBondContact OE1-NE2 2.8Å; E31-V164 HydrophobicContact CB-CG2 4.44Å; E31-V164 HydrophobicContact CG-CB 4.06Å; E31-V164 HydrophobicContact CG-CG2 3.78Å; E31-R166 VanDerWaalsContact N-CZ 3.32Å
32	V	93.8	Very high	78	Confident	15 Å²	15	53.2 Å²	53.2	9%	0.091	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-83.2	161.1	177.8	-56	0	0	0	0	110.4	I37 H82 L165 A167	V32-I37 HydrophobicContact CG1-CD1 3.74Å; V32-I37 HydrophobicContact CG1-CG1 4.3Å; V32-H82 PolarHBondContact O-CE1 3.35Å; V32-L165 HydrophobicContact CG2-CB 3.91Å; V32-L165 HydrophobicContact CG2-CD2 3.91Å; V32-L165 HydrophobicContact CG2-CG 3.73Å; V32-L165 PolarHBondContact N-O 2.84Å; V32-A167 HydrophobicContact CG1-CB 3.55Å
33	Q	94.8	Very high	80.8	Confident	153 Å²	153	45.9 Å²	45.9	72%	0.715	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-63.2	132.5	163	-66.7	-65.3	-40.1	0	0	108	Y35 S36	Q33-Y35 PolarHBondContact O-N 2.92Å; Q33-S36 WeakPolarHBondContact O-CB 3.37Å; Q33-S36 PolarHBondContact O-N 2.85Å; Q33-S36 PolarHBondContact O-OG 3.18Å
34	P	95.1	Very high	83.4	Confident	55 Å²	55	43.3 Å²	43.3	36%	0.357	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	133.9	-177.5	-30.8	35.6	0	0	0	112.5	S36 H82	P34-S36 PolarHBondContact O-N 3.07Å; P34-H82 HydrophobicContact CB-CB 4.29Å
35	Y	94.6	Very high	86.1	Confident	34 Å²	34	42.2 Å²	42.2	13%	0.133	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	18.3	179	-15.7	-67.6	0	0	0	115.9	Q33 S80 H82 E88 F90 Y127	Q33-Y35 PolarHBondContact O-N 2.92Å; Y35-S80 VanDerWaalsContact CD1-O 3.25Å; Y35-S80 WeakPolarHBondContact CD1-O 3.43Å; Y35-H82 HydrophobicContact CD1-CB 4.09Å; Y35-H82 HydrophobicContact CE1-CB 3.88Å; Y35-E88 HydrophobicContact CE1-CB 4.29Å; Y35-E88 WeakPolarHBondContact OH-CB 3.15Å; Y35-E88 PolarHBondContact OH-OE1 2.82Å; Y35-F90 HydrophobicContact CD2-CD2 4.34Å; Y35-F90 HydrophobicContact CE1-CB 4.45Å; Y35-F90 HydrophobicContact CE1-CD2 4.06Å; Y35-F90 AromaticContact CE2-CD2 3.58Å; Y35-F90 HydrophobicContact CE2-CD2 3.58Å; Y35-F90 AromaticContact CE2-CE2 3.84Å; Y35-F90 HydrophobicContact CE2-CE2 3.84Å; Y35-F90 HydrophobicContact CE2-CG 4.27Å; Y35-F90 AromaticContact CZ-CD2 3.43Å; Y35-F90 VanDerWaalsContact CZ-CD2 3.43Å; Y35-F90 AromaticContact CZ-CE2 3.94Å; Y35-F90 WeakPolarHBondContact OH-CD2 3.33Å; Y35-Y127 HydrophobicContact CD2-CD1 4.04Å; Y35-Y127 HydrophobicContact CD2-CE1 4.25Å; Y35-Y127 HydrophobicContact CD2-CG 4.41Å; Y35-Y127 HydrophobicContact CG-CD1 4.32Å; Y35-Y127 HydrophobicContact CG-CG 4.44Å
36	S	96.3	Very high	88.7	Confident	60 Å²	60	43.5 Å²	43.5	42%	0.42	22%	0.222	S	C	.	.			trans	-73.2	-28.3	176.8	59.2	0	0	0	0	113.7	Q33 P34 K38	Q33-S36 WeakPolarHBondContact O-CB 3.37Å; Q33-S36 PolarHBondContact O-N 2.85Å; Q33-S36 PolarHBondContact O-OG 3.18Å; P34-S36 PolarHBondContact O-N 3.07Å; S36-K38 PolarHBondContact O-N 3.37Å
37	I	97.5	Very high	90.7	Very high	20 Å²	20	51.2 Å²	51.2	10%	0.103	26%	0.256	C	S	.	.	S	Bend	trans	-93.9	79.3	177	-54.5	-168.5	0	0	0	109.5	V32 Y39 Q40 S149 L165 A167	V32-I37 HydrophobicContact CG1-CD1 3.74Å; V32-I37 HydrophobicContact CG1-CG1 4.3Å; I37-Y39 HydrophobicContact CG2-CD2 3.93Å; I37-Y39 HydrophobicContact CG2-CE1 4.09Å; I37-Y39 HydrophobicContact CG2-CE2 3.39Å; I37-Y39 HydrophobicContact CG2-CG 4.48Å; I37-Y39 VanDerWaalsContact CG2-CZ 3.48Å; I37-Y39 PolarHBondContact O-N 3.07Å; I37-Q40 HydrophobicContact CB-CB 4.39Å; I37-Q40 HydrophobicContact CG2-CB 3.97Å; I37-Q40 WeakPolarHBondContact O-CB 3.14Å; I37-Q40 PolarHBondContact O-N 2.62Å; I37-S149 VanDerWaalsContact CD1-CB 3.43Å; I37-L165 HydrophobicContact CB-CD2 4.32Å; I37-A167 HydrophobicContact CD1-CB 4.01Å
38	K	98.3	Very high	92.6	Very high	81 Å²	81	51.9 Å²	51.9	35%	0.352	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-11.3	-163.5	-48.4	-171.9	-173.3	-163.4	0	116.6	S36 A126 Y127 V128 Q129	S36-K38 PolarHBondContact O-N 3.37Å; K38-A126 WeakPolarHBondContact CD-O 3.43Å; K38-A126 WeakPolarHBondContact CE-O 3.46Å; K38-A126 PolarHBondContact NZ-O 3.03Å; K38-Y127 WeakPolarHBondContact CA-O 3.03Å; K38-Y127 VanDerWaalsContact CB-O 3.28Å; K38-Y127 WeakPolarHBondContact CB-O 3.47Å; K38-V128 WeakPolarHBondContact O-CA 3.47Å; K38-Q129 CarbonylContact C-O 3.59Å; K38-Q129 VanDerWaalsContact C-O 3.28Å; K38-Q129 HydrophobicContact CB-CB 3.88Å; K38-Q129 HydrophobicContact CB-CG 4.45Å; K38-Q129 HydrophobicContact CD-CB 4.23Å; K38-Q129 HydrophobicContact CD-CG 3.99Å; K38-Q129 PolarHBondContact O-N 2.96Å
39	Y	98.6	Very high	94.1	Very high	40 Å²	40	55.1 Å²	55.1	16%	0.157	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-4.7	179.2	49.5	-99.3	0	0	0	112.6	I37 A41 T55 L56 Q129 V131 P208 V210	I37-Y39 HydrophobicContact CG2-CD2 3.93Å; I37-Y39 HydrophobicContact CG2-CE1 4.09Å; I37-Y39 HydrophobicContact CG2-CE2 3.39Å; I37-Y39 HydrophobicContact CG2-CG 4.48Å; I37-Y39 VanDerWaalsContact CG2-CZ 3.48Å; I37-Y39 PolarHBondContact O-N 3.07Å; Y39-A41 PolarHBondContact O-N 2.86Å; Y39-T55 HydrophobicContact CD2-CG2 4.13Å; Y39-T55 WeakPolarHBondContact O-CA 3.49Å; Y39-L56 PolarHBondContact O-N 3.22Å; Y39-Q129 WeakPolarHBondContact CA-O 3.1Å; Y39-Q129 WeakPolarHBondContact CB-O 3.06Å; Y39-Q129 PolarHBondContact N-O 3.34Å; Y39-V131 HydrophobicContact CD1-CB 3.74Å; Y39-V131 HydrophobicContact CD1-CG2 4.05Å; Y39-V131 HydrophobicContact CD2-CB 4.28Å; Y39-V131 HydrophobicContact CE1-CB 4.36Å; Y39-V131 HydrophobicContact CE1-CG2 4.17Å; Y39-V131 HydrophobicContact CG-CB 3.68Å; Y39-V131 HydrophobicContact CG-CG1 4.33Å; Y39-V131 HydrophobicContact CG-CG2 4.31Å; Y39-P208 HydrophobicContact CD2-CB 4.23Å; Y39-P208 HydrophobicContact CD2-CG 4.09Å; Y39-P208 HydrophobicContact CE2-CB 3.89Å; Y39-P208 HydrophobicContact CE2-CG 3.77Å; Y39-V210 HydrophobicContact CE2-CG2 3.79Å
40	Q	98.6	Very high	95.3	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.019	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	126.8	179.1	-168.4	80	31.4	0	0	109.4	I37 S149 W151 L165 P208	I37-Q40 HydrophobicContact CB-CB 4.39Å; I37-Q40 HydrophobicContact CG2-CB 3.97Å; I37-Q40 WeakPolarHBondContact O-CB 3.14Å; I37-Q40 PolarHBondContact O-N 2.62Å; Q40-S149 PolarHBondContact NE2-O 3.23Å; Q40-S149 PolarHBondContact OE1-O 3.4Å; Q40-S149 PolarHBondContact OE1-OG 2.82Å; Q40-W151 HydrophobicContact CG-CH2 3.45Å; Q40-W151 VanDerWaalsContact CG-CH2 3.45Å; Q40-W151 HydrophobicContact CG-CZ2 4.4Å; Q40-W151 HydrophobicContact CG-CZ3 3.64Å; Q40-L165 HydrophobicContact CB-CD2 4.19Å; Q40-L165 HydrophobicContact CG-CD1 3.88Å; Q40-L165 HydrophobicContact CG-CD2 4Å; Q40-P208 VanDerWaalsContact OE1-CG 3.3Å
41	A	98.5	Very high	95.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	144.8	167.5	0	0	0	0	0	110.6	Y39 G53 G54 V62 V77 V78 L79	Y39-A41 PolarHBondContact O-N 2.86Å; A41-G53 CarbonylContact O-C 3.55Å; A41-G53 WeakPolarHBondContact O-CA 3.35Å; A41-G54 PolarHBondContact N-O 3.14Å; A41-G54 PolarHBondContact O-N 2.9Å; A41-V62 HydrophobicContact CB-CG1 3.94Å; A41-V77 HydrophobicContact CB-CG1 3.97Å; A41-V78 WeakPolarHBondContact CA-O 3.13Å; A41-L79 HydrophobicContact CB-CD2 3.59Å
42	S	98.3	Very high	95.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	118.9	170.1	-175.6	0	0	0	0	107.5	Q44 H50 V78	S42-Q44 PolarHBondContact OG-NE2 2.82Å; S42-H50 PolarHBondContact OG-ND1 2.83Å; S42-V78 PolarHBondContact N-O 2.95Å; S42-V78 PolarHBondContact O-N 3.35Å
43	L	98.3	Very high	96	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	115.8	171.5	-56.6	-174.8	0	0	0	108.4	Y51 C52 G53 S64 C68 M75 V77 M114 I116	L43-Y51 HydrophobicContact CB-CE1 4.12Å; L43-Y51 VanDerWaalsContact O-CD1 3.31Å; L43-Y51 WeakPolarHBondContact O-CD1 3.28Å; L43-Y51 PolarHBondContact O-N 2.76Å; L43-C52 WeakPolarHBondContact CA-O 3.18Å; L43-C52 HydrophobicContact CB-CB 4.2Å; L43-C52 VanDerWaalsContact CB-O 3.28Å; L43-C52 WeakPolarHBondContact CB-O 3.34Å; L43-C52 HydrophobicContact CD1-CB 4.04Å; L43-C52 HydrophobicContact CG-CB 4.46Å; L43-C52 PolarHBondContact N-O 2.81Å; L43-C52 PolarHBondContact O-N 3.33Å; L43-G53 WeakPolarHBondContact CD1-O 3.2Å; L43-S64 WeakPolarHBondContact CD1-OG 3.44Å; L43-C68 HydrophobicContact CD1-CB 4.34Å; L43-M75 HydrophobicContact CD1-CE 4.14Å; L43-M75 HydrophobicContact CD2-CE 4.33Å; L43-V77 HydrophobicContact CD2-CB 4.43Å; L43-V77 HydrophobicContact CD2-CG1 4.2Å; L43-V77 HydrophobicContact CD2-CG2 3.86Å; L43-M114 HydrophobicContact CD1-CE 4.14Å; L43-I116 HydrophobicContact CD1-CD1 4.06Å; L43-I116 HydrophobicContact CD2-CD1 3.76Å
44	Q	97.4	Very high	96.2	Very high	15 Å²	15	39.4 Å²	39.4	7%	0.07	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	155.9	-174.8	-58.3	-175.4	3.4	0	0	110.9	S42 G48 E49 H50 I76 V78 E81	S42-Q44 PolarHBondContact OG-NE2 2.82Å; Q44-G48 VanDerWaalsContact OE1-CA 3.31Å; Q44-G48 PolarHBondContact OE1-O 2.88Å; Q44-E49 CarbonylContact C-O 3.59Å; Q44-E49 VanDerWaalsContact CA-O 3.31Å; Q44-E49 WeakPolarHBondContact CA-O 3.18Å; Q44-H50 HydrophobicContact CG-CB 4.42Å; Q44-I76 HydrophobicContact CB-CB 4.35Å; Q44-I76 PolarHBondContact N-O 2.82Å; Q44-I76 PolarHBondContact O-N 2.8Å; Q44-V78 HydrophobicContact CG-CG2 4.15Å; Q44-E81 PolarHBondContact NE2-OE2 2.86Å; Q44-E81 VanDerWaalsContact NE2-OE2 3.11Å
45	T	95.7	Very high	96.4	Very high	12 Å²	12	36.8 Å²	36.8	7%	0.074	18%	0.183	C	C	.	.			trans	-72.7	170	166.1	70.8	0	0	0	0	110.8	K47 G48 E49 Y51	T45-K47 PolarHBondContact O-N 2.98Å; T45-K47 PolarHBondContact OG1-N 3.24Å; T45-G48 PolarHBondContact O-N 2.86Å; T45-E49 HydrophobicContact CG2-CB 4.06Å; T45-E49 PolarHBondContact N-O 3.11Å; T45-E49 WeakPolarHBondContact OG1-CB 3.44Å; T45-E49 PolarHBondContact OG1-N 3.43Å; T45-E49 PolarHBondContact OG1-OE2 2.72Å; T45-Y51 HydrophobicContact CG2-CD1 4.12Å
46	E	92.4	Very high	96.6	Very high	128 Å²	128	35.1 Å²	35.1	60%	0.598	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-13.7	169.5	-62.3	169	117.5	0	0	114.2	L74	E46-L74 WeakPolarHBondContact OE2-CD2 3.31Å
47	K	93	Very high	96.7	Very high	168 Å²	168	33 Å²	33	73%	0.73	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	2.5	177.1	-55.6	-179.9	-169.7	164.3	0	113.8	T45 E49	T45-K47 PolarHBondContact O-N 2.98Å; T45-K47 PolarHBondContact OG1-N 3.24Å; K47-E49 HydrophobicContact CB-CG 4.04Å; K47-E49 IonicContact NZ-OE1 3.51Å
48	G	92.4	Very high	96.7	Very high	39 Å²	39	34.3 Å²	34.3	40%	0.402	17%	0.169	S	C	.	.			trans	79.5	11.8	-172.4	0	0	0	0	0	114.6	Q44 T45 H50	Q44-G48 VanDerWaalsContact OE1-CA 3.31Å; Q44-G48 PolarHBondContact OE1-O 2.88Å; T45-G48 PolarHBondContact O-N 2.86Å; G48-H50 PolarHBondContact O-N 2.94Å
49	E	93.6	Very high	96.7	Very high	99 Å²	99	34.5 Å²	34.5	46%	0.463	17%	0.169	S	C	.	.			trans	-80.6	105.9	-178.3	-55.9	156.2	143.5	0	0	109.8	Q44 T45 K47 Y51	Q44-E49 CarbonylContact C-O 3.59Å; Q44-E49 VanDerWaalsContact CA-O 3.31Å; Q44-E49 WeakPolarHBondContact CA-O 3.18Å; T45-E49 HydrophobicContact CG2-CB 4.06Å; T45-E49 PolarHBondContact N-O 3.11Å; T45-E49 WeakPolarHBondContact OG1-CB 3.44Å; T45-E49 PolarHBondContact OG1-N 3.43Å; T45-E49 PolarHBondContact OG1-OE2 2.72Å; K47-E49 HydrophobicContact CB-CG 4.04Å; K47-E49 IonicContact NZ-OE1 3.51Å; E49-Y51 PolarHBondContact O-N 2.89Å
50	H	95.1	Very high	96.7	Very high	22 Å²	22	34.6 Å²	34.6	10%	0.102	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	133.3	171.7	178.4	89.2	0	0	0	111.6	S42 Q44 G48 C52 L84 W151 G203	S42-H50 PolarHBondContact OG-ND1 2.83Å; Q44-H50 HydrophobicContact CG-CB 4.42Å; G48-H50 PolarHBondContact O-N 2.94Å; H50-C52 VanDerWaalsContact CE1-C 3.4Å; H50-C52 PolarHBondContact CE1-O 2.94Å; H50-L84 HydrophobicContact CB-CD1 3.76Å; H50-L84 HydrophobicContact CB-CD2 3.91Å; H50-L84 HydrophobicContact CB-CG 4.49Å; H50-W151 AromaticContact CE1-CE3 3.51Å; H50-W151 AromaticContact ND1-CE3 4Å; H50-G203 PolarHBondContact NE2-O 2.84Å
51	Y	94.1	Very high	96.7	Very high	42 Å²	42	34.8 Å²	34.8	17%	0.165	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	-18.4	177.9	74.7	-93.8	0	0	0	115	L43 T45 E49 C68 R70 M75	L43-Y51 HydrophobicContact CB-CE1 4.12Å; L43-Y51 VanDerWaalsContact O-CD1 3.31Å; L43-Y51 WeakPolarHBondContact O-CD1 3.28Å; L43-Y51 PolarHBondContact O-N 2.76Å; T45-Y51 HydrophobicContact CG2-CD1 4.12Å; E49-Y51 PolarHBondContact O-N 2.89Å; Y51-C68 HydrophobicContact CE2-CB 4.26Å; Y51-C68 VanDerWaalsContact CE2-O 3.31Å; Y51-C68 WeakPolarHBondContact CE2-O 3.43Å; Y51-C68 PolarHBondContact OH-O 2.81Å; Y51-C68 VanDerWaalsContact OH-O 3.09Å; Y51-R70 HydrophobicContact CE2-CG 4.36Å; Y51-R70 VanDerWaalsContact CG-NH2 3.28Å; Y51-R70 VanDerWaalsContact CZ-NE 3.29Å; Y51-M75 WeakPolarHBondContact OH-CE 3.25Å
52	C	96.5	Very high	96.8	Very high	6 Å²	6	34.8 Å²	34.8	4%	0.041	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	158.7	173.7	-82	0	0	0	0	110.7	L43 H50 C68 S205	L43-C52 WeakPolarHBondContact CA-O 3.18Å; L43-C52 HydrophobicContact CB-CB 4.2Å; L43-C52 VanDerWaalsContact CB-O 3.28Å; L43-C52 WeakPolarHBondContact CB-O 3.34Å; L43-C52 HydrophobicContact CD1-CB 4.04Å; L43-C52 HydrophobicContact CG-CB 4.46Å; L43-C52 PolarHBondContact N-O 2.81Å; L43-C52 PolarHBondContact O-N 3.33Å; H50-C52 VanDerWaalsContact CE1-C 3.4Å; H50-C52 PolarHBondContact CE1-O 2.94Å; C52-C68 HydrophobicContact CB-CB 3.64Å; C52-C68 WeakPolarHBondContact CB-SG 3.36Å; C52-C68 WeakPolarHBondContact SG-CB 3.27Å; C52-C68 CovalentContact SG-SG 2.03Å; C52-C68 PolarHBondContact SG-SG 3.43Å; C52-S205 CarbonylContact C-O 3.09Å; C52-S205 WeakPolarHBondContact CA-O 3.35Å; C52-S205 VanDerWaalsContact CB-O 3.24Å; C52-S205 WeakPolarHBondContact CB-O 3.45Å
53	G	97.6	Very high	96.8	Very high	2 Å²	2	34.8 Å²	34.8	2%	0.021	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	170.8	163.6	0	0	0	0	0	113.7	A41 L43 S64 S205 G206	A41-G53 CarbonylContact O-C 3.55Å; A41-G53 WeakPolarHBondContact O-CA 3.35Å; L43-G53 WeakPolarHBondContact CD1-O 3.2Å; G53-S64 PolarHBondContact O-OG 3.31Å; G53-S205 PolarHBondContact N-O 2.98Å; G53-G206 CarbonylContact C-O 3.57Å; G53-G206 CarbonylContact O-C 3.22Å; G53-G206 VanDerWaalsContact O-C 3.24Å; G53-G206 WeakPolarHBondContact O-CA 3.36Å
54	G	98.4	Very high	96.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	175.5	166.7	0	0	0	0	0	110.7	A41 V63 G206	A41-G54 PolarHBondContact N-O 3.14Å; A41-G54 PolarHBondContact O-N 2.9Å; G54-V63 CarbonylContact C-O 3.49Å; G54-V63 WeakPolarHBondContact CA-O 3.4Å; G54-G206 WeakPolarHBondContact CA-O 3.27Å
55	T	98.9	Very high	96.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	117.4	-175	-51.3	0	0	0	0	110.8	Y39 V57 V62 V63 V131 P208 F215	Y39-T55 HydrophobicContact CD2-CG2 4.13Å; Y39-T55 WeakPolarHBondContact O-CA 3.49Å; T55-V57 PolarHBondContact O-N 2.93Å; T55-V62 CarbonylContact O-C 3.28Å; T55-V62 WeakPolarHBondContact O-CA 3.35Å; T55-V63 PolarHBondContact N-O 3.24Å; T55-V63 PolarHBondContact O-N 2.92Å; T55-V131 HydrophobicContact CG2-CG1 3.45Å; T55-V131 VanDerWaalsContact CG2-CG1 3.45Å; T55-P208 HydrophobicContact CG2-CB 4.08Å; T55-P208 WeakPolarHBondContact OG1-CB 3.15Å; T55-F215 HydrophobicContact CG2-CD1 3.87Å; T55-F215 HydrophobicContact CG2-CD2 3.93Å; T55-F215 HydrophobicContact CG2-CE1 3.81Å; T55-F215 HydrophobicContact CG2-CE2 3.86Å; T55-F215 HydrophobicContact CG2-CG 3.93Å; T55-F215 HydrophobicContact CG2-CZ 3.79Å; T55-F215 WeakPolarHBondContact OG1-CE2 3.33Å
56	L	98.9	Very high	97	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	120.2	174.9	-169.1	75.2	0	0	0	110.4	Y39 D58 V62 L79 L118 L124 V128 P130 V131	Y39-L56 PolarHBondContact O-N 3.22Å; L56-D58 WeakPolarHBondContact CD1-O 3.34Å; L56-V62 HydrophobicContact CB-CG2 4.48Å; L56-V62 HydrophobicContact CD1-CG2 3.69Å; L56-L79 HydrophobicContact CB-CD2 4.35Å; L56-L79 HydrophobicContact CD1-CD1 3.84Å; L56-L79 HydrophobicContact CD1-CD2 4.35Å; L56-L79 HydrophobicContact CD2-CD1 4.1Å; L56-L118 HydrophobicContact CD1-CD1 4.45Å; L56-L124 HydrophobicContact CD2-CD2 4.25Å; L56-V128 HydrophobicContact CD2-CG1 3.72Å; L56-P130 HydrophobicContact CD2-CB 4.42Å; L56-P130 HydrophobicContact CG-CB 4.32Å; L56-P130 CarbonylContact O-C 3.52Å; L56-P130 VanDerWaalsContact O-CA 3.29Å; L56-P130 WeakPolarHBondContact O-CA 3.3Å; L56-V131 PolarHBondContact O-N 3.29Å
57	V	98.8	Very high	97.2	Very high	15 Å²	15	30.5 Å²	30.5	9%	0.091	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-18.7	179.4	-62.9	0	0	0	0	113.3	T55 W61 V63 L115 P130 V131 L133 F215 M248	T55-V57 PolarHBondContact O-N 2.93Å; V57-W61 HydrophobicContact CG2-CB 4.09Å; V57-W61 WeakPolarHBondContact CG2-O 3.42Å; V57-W61 PolarHBondContact N-O 2.74Å; V57-V63 HydrophobicContact CB-CG2 4.48Å; V57-V63 HydrophobicContact CG1-CB 4.35Å; V57-V63 HydrophobicContact CG1-CG2 3.76Å; V57-V63 HydrophobicContact CG2-CG2 3.85Å; V57-L115 HydrophobicContact CG2-CD1 4.31Å; V57-P130 VanDerWaalsContact C-CB 3.47Å; V57-P130 WeakPolarHBondContact O-CB 3.24Å; V57-V131 HydrophobicContact CG1-CG1 4.31Å; V57-L133 HydrophobicContact CB-CG 4.44Å; V57-L133 HydrophobicContact CG1-CD2 4.09Å; V57-L133 HydrophobicContact CG1-CG 4.38Å; V57-F215 HydrophobicContact CG1-CD1 3.82Å; V57-F215 HydrophobicContact CG1-CE1 3.84Å; V57-M248 HydrophobicContact CG2-SD 4.21Å
58	D	98.4	Very high	97.3	Very high	48 Å²	48	22.7 Å²	22.7	26%	0.257	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	167.5	166.8	174.2	-111.2	0	0	0	109.3	L56 E60 W61 M248	L56-D58 WeakPolarHBondContact CD1-O 3.34Å; D58-E60 PolarHBondContact O-N 3.07Å; D58-W61 HydrophobicContact CB-CB 4.25Å; D58-W61 PolarHBondContact N-O 3.31Å; D58-W61 PolarHBondContact O-N 3.4Å; D58-W61 VanDerWaalsContact O-N 3.07Å; D58-M248 HydrophobicContact CB-CE 3.46Å; D58-M248 VanDerWaalsContact CB-CE 3.46Å
59	K	98.1	Very high	97.6	Very high	85 Å²	85	27.2 Å²	27.2	37%	0.37	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47	-29.5	179.8	50.4	151.5	179.2	145.2	0	115.5	P121 A122	K59-P121 HydrophobicContact CD-CB 4.22Å; K59-A122 WeakPolarHBondContact O-CB 3.4Å; K59-A122 PolarHBondContact O-N 2.7Å
60	E	98.4	Very high	97.7	Very high	41 Å²	41	26.8 Å²	26.8	19%	0.192	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	3.6	-177.8	-75.2	173.5	101.5	0	0	113.6	D58 K117 L118 P121	D58-E60 PolarHBondContact O-N 3.07Å; E60-K117 WeakPolarHBondContact O-CA 3.45Å; E60-L118 PolarHBondContact O-N 3.05Å; E60-P121 HydrophobicContact CG-CB 3.99Å; E60-P121 HydrophobicContact CG-CG 3.82Å
61	W	98.8	Very high	97.8	Very high	8 Å²	8	28 Å²	28	3%	0.03	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	122.6	-164.4	-64.1	104.8	0	0	0	113.2	V57 D58 Y100 L115 I116 K117 I247 M248 D251	V57-W61 HydrophobicContact CG2-CB 4.09Å; V57-W61 WeakPolarHBondContact CG2-O 3.42Å; V57-W61 PolarHBondContact N-O 2.74Å; D58-W61 HydrophobicContact CB-CB 4.25Å; D58-W61 PolarHBondContact N-O 3.31Å; D58-W61 PolarHBondContact O-N 3.4Å; D58-W61 VanDerWaalsContact O-N 3.07Å; W61-Y100 HydrophobicContact CH2-CE2 4.1Å; W61-Y100 HydrophobicContact CZ3-CD2 4.26Å; W61-Y100 HydrophobicContact CZ3-CE2 4.13Å; W61-L115 HydrophobicContact CB-CD1 4.37Å; W61-L115 HydrophobicContact CD2-CD2 4.26Å; W61-L115 HydrophobicContact CE3-CD1 4.31Å; W61-L115 HydrophobicContact CE3-CD2 3.55Å; W61-L115 HydrophobicContact CE3-CG 3.64Å; W61-L115 HydrophobicContact CH2-CD2 4.5Å; W61-L115 HydrophobicContact CZ3-CD2 3.66Å; W61-L115 HydrophobicContact CZ3-CG 4Å; W61-I116 WeakPolarHBondContact CA-O 3.4Å; W61-K117 HydrophobicContact CD2-CB 4.5Å; W61-K117 HydrophobicContact CD2-CG 4.27Å; W61-K117 HydrophobicContact CE3-CB 3.83Å; W61-K117 HydrophobicContact CE3-CG 4.09Å; W61-K117 HydrophobicContact CH2-CB 3.98Å; W61-K117 HydrophobicContact CH2-CD 3.66Å; W61-K117 HydrophobicContact CH2-CG 3.96Å; W61-K117 HydrophobicContact CZ2-CD 3.71Å; W61-K117 HydrophobicContact CZ2-CG 4.06Å; W61-K117 HydrophobicContact CZ3-CB 3.56Å; W61-K117 HydrophobicContact CZ3-CD 4.16Å; W61-K117 HydrophobicContact CZ3-CG 3.96Å; W61-I247 HydrophobicContact CH2-CG2 3.87Å; W61-I247 HydrophobicContact CZ3-CG2 4.01Å; W61-M248 HydrophobicContact CB-CG 4.34Å; W61-M248 HydrophobicContact CB-SD 4.36Å; W61-M248 HydrophobicContact CD2-CG 3.84Å; W61-M248 HydrophobicContact CE3-CG 4.49Å; W61-M248 HydrophobicContact CG-CE 4.42Å; W61-M248 HydrophobicContact CG-CG 3.77Å; W61-M248 HydrophobicContact CG-SD 4.34Å; W61-M248 HydrophobicContact CZ2-CG 4.5Å; W61-D251 HydrophobicContact CH2-CB 4.16Å; W61-D251 HydrophobicContact CZ2-CB 4.35Å
62	V	98.9	Very high	97.9	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.2	177.7	172.9	0	0	0	0	110	A41 T55 L56 V77 I116 L118	A41-V62 HydrophobicContact CB-CG1 3.94Å; T55-V62 CarbonylContact O-C 3.28Å; T55-V62 WeakPolarHBondContact O-CA 3.35Å; L56-V62 HydrophobicContact CB-CG2 4.48Å; L56-V62 HydrophobicContact CD1-CG2 3.69Å; V62-V77 HydrophobicContact CG2-CG1 4.21Å; V62-I116 HydrophobicContact CB-CB 4.32Å; V62-I116 HydrophobicContact CG1-CD1 4.23Å; V62-I116 PolarHBondContact N-O 2.96Å; V62-I116 WeakPolarHBondContact O-CB 3.27Å; V62-I116 PolarHBondContact O-N 2.97Å; V62-L118 HydrophobicContact CG2-CD2 4.05Å
63	V	98.9	Very high	97.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	140.1	171.8	175.9	0	0	0	0	109.6	G54 T55 V57 I113 L115 F215 I218 I244	G54-V63 CarbonylContact C-O 3.49Å; G54-V63 WeakPolarHBondContact CA-O 3.4Å; T55-V63 PolarHBondContact N-O 3.24Å; T55-V63 PolarHBondContact O-N 2.92Å; V57-V63 HydrophobicContact CB-CG2 4.48Å; V57-V63 HydrophobicContact CG1-CB 4.35Å; V57-V63 HydrophobicContact CG1-CG2 3.76Å; V57-V63 HydrophobicContact CG2-CG2 3.85Å; V63-I113 HydrophobicContact CG1-CD1 3.97Å; V63-I113 HydrophobicContact CG1-CG1 3.98Å; V63-L115 HydrophobicContact CG2-CD1 3.53Å; V63-F215 HydrophobicContact CB-CE1 3.8Å; V63-F215 HydrophobicContact CB-CZ 4.05Å; V63-F215 HydrophobicContact CG1-CE1 3.84Å; V63-F215 HydrophobicContact CG1-CZ 3.81Å; V63-F215 HydrophobicContact CG2-CE1 4.16Å; V63-I218 HydrophobicContact CG1-CD1 3.53Å; V63-I218 HydrophobicContact CG1-CG1 3.95Å; V63-I244 HydrophobicContact CG2-CD1 4.23Å
64	S	98.7	Very high	97.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	-178.9	171.5	-173.7	0	0	0	0	110.2	L43 G53 I113 M114 G206	L43-S64 WeakPolarHBondContact CD1-OG 3.44Å; G53-S64 PolarHBondContact O-OG 3.31Å; S64-I113 WeakPolarHBondContact O-CA 3.12Å; S64-M114 PolarHBondContact N-O 2.98Å; S64-M114 PolarHBondContact O-N 3.09Å; S64-G206 WeakPolarHBondContact OG-CA 3.15Å
65	A	98.4	Very high	97.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.173	C	C	.	.			trans	-76.5	143.3	176.4	0	0	0	0	0	110.8	H67 C68 M114 I218	A65-H67 VanDerWaalsContact C-N 3.26Å; A65-H67 WeakPolarHBondContact CB-ND1 3.23Å; A65-H67 PolarHBondContact O-N 3.2Å; A65-C68 WeakPolarHBondContact O-CB 3.28Å; A65-C68 PolarHBondContact O-N 3.37Å; A65-C68 VanDerWaalsContact O-N 3.12Å; A65-M114 WeakPolarHBondContact O-CE 3.41Å; A65-M114 WeakPolarHBondContact O-CG 3.4Å; A65-I218 HydrophobicContact CB-CG2 3.99Å
66	A	98.4	Very high	97.8	Very high	5 Å²	5	38.8 Å²	38.8	4%	0.041	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-65.5	-29.2	177.7	0	0	0	0	0	112.6	C68 W69 V101 Y104 D112	A66-C68 PolarHBondContact O-N 2.96Å; A66-W69 WeakPolarHBondContact O-CB 3.46Å; A66-W69 PolarHBondContact O-N 3.07Å; A66-W69 VanDerWaalsContact O-N 3.12Å; A66-V101 HydrophobicContact CB-CG1 3.76Å; A66-Y104 HydrophobicContact CB-CD1 3.8Å; A66-Y104 HydrophobicContact CB-CD2 3.83Å; A66-Y104 HydrophobicContact CB-CE1 4.42Å; A66-Y104 HydrophobicContact CB-CE2 4.44Å; A66-Y104 HydrophobicContact CB-CG 3.47Å; A66-Y104 VanDerWaalsContact CB-CG 3.47Å; A66-D112 WeakPolarHBondContact CA-OD1 3.33Å; A66-D112 WeakPolarHBondContact CB-OD1 3.43Å; A66-D112 PolarHBondContact N-OD1 2.96Å
67	H	96.3	Very high	97.8	Very high	61 Å²	61	38.8 Å²	38.8	28%	0.282	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-67.3	-15.4	174.7	80.6	-103	0	0	0	113.6	A65 W69 Y104 F109 D112 S205 S220	A65-H67 VanDerWaalsContact C-N 3.26Å; A65-H67 WeakPolarHBondContact CB-ND1 3.23Å; A65-H67 PolarHBondContact O-N 3.2Å; H67-W69 VanDerWaalsContact C-N 3.28Å; H67-Y104 HydrophobicContact CB-CE1 4.36Å; H67-F109 HydrophobicContact CB-CE1 4.44Å; H67-D112 IonicContact CE1-OD2 2.72Å; H67-D112 IonicContact CG-OD1 3.32Å; H67-D112 IonicContact CG-OD2 3.92Å; H67-D112 PolarHBondContact N-OD1 3.4Å; H67-D112 IonicContact ND1-OD1 3.47Å; H67-D112 PolarHBondContact ND1-OD1 3.34Å; H67-D112 IonicContact ND1-OD2 3.41Å; H67-D112 PolarHBondContact ND1-OD2 2.96Å; H67-S205 VanDerWaalsContact NE2-CB 3.27Å; H67-S205 WeakPolarHBondContact NE2-CB 3.44Å; H67-S205 PolarHBondContact NE2-OG 3.15Å; H67-S220 PolarHBondContact CE1-O 3.01Å
68	C	96.9	Very high	97.7	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.02	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-84	3.3	172.7	-63.8	0	0	0	0	113.5	L43 Y51 C52 A65 A66 M114	L43-C68 HydrophobicContact CD1-CB 4.34Å; Y51-C68 HydrophobicContact CE2-CB 4.26Å; Y51-C68 VanDerWaalsContact CE2-O 3.31Å; Y51-C68 WeakPolarHBondContact CE2-O 3.43Å; Y51-C68 PolarHBondContact OH-O 2.81Å; Y51-C68 VanDerWaalsContact OH-O 3.09Å; C52-C68 HydrophobicContact CB-CB 3.64Å; C52-C68 WeakPolarHBondContact CB-SG 3.36Å; C52-C68 WeakPolarHBondContact SG-CB 3.27Å; C52-C68 CovalentContact SG-SG 2.03Å; C52-C68 PolarHBondContact SG-SG 3.43Å; A65-C68 WeakPolarHBondContact O-CB 3.28Å; A65-C68 PolarHBondContact O-N 3.37Å; A65-C68 VanDerWaalsContact O-N 3.12Å; A66-C68 PolarHBondContact O-N 2.96Å; C68-M114 HydrophobicContact CB-CE 3.88Å
69	W	97.3	Very high	97.8	Very high	134 Å²	134	35.9 Å²	35.9	51%	0.508	17%	0.169	S	C	.	.			trans	-60.9	136.1	-178.3	-179	90.4	0	0	0	112.8	A66 H67 P71 V101 M114	A66-W69 WeakPolarHBondContact O-CB 3.46Å; A66-W69 PolarHBondContact O-N 3.07Å; A66-W69 VanDerWaalsContact O-N 3.12Å; H67-W69 VanDerWaalsContact C-N 3.28Å; W69-P71 HydrophobicContact CH2-CG 3.97Å; W69-P71 HydrophobicContact CZ3-CG 4.4Å; W69-V101 HydrophobicContact CG-CG2 4.42Å; W69-M114 HydrophobicContact CB-SD 3.91Å
70	R	96.4	Very high	97.7	Very high	90 Å²	90	32.2 Å²	32.2	34%	0.34	15%	0.153	S	C	.	.			trans	-137.3	164.9	164.5	-61	-175.9	-175.6	-140.6	6.2	108.6	Y51 S72 M75 I99	Y51-R70 HydrophobicContact CE2-CG 4.36Å; Y51-R70 VanDerWaalsContact CG-NH2 3.28Å; Y51-R70 VanDerWaalsContact CZ-NE 3.29Å; R70-S72 PolarHBondContact O-N 3.03Å; R70-M75 HydrophobicContact CB-CG 3.74Å; R70-M75 HydrophobicContact CB-SD 3.94Å; R70-I99 VanDerWaalsContact O-CD1 3.29Å; R70-I99 WeakPolarHBondContact O-CD1 3.34Å
71	P	97.4	Very high	97.7	Very high	47 Å²	47	31 Å²	31	31%	0.305	15%	0.148	S	C	.	.			trans	-52.3	136	166	-25.3	33.8	0	0	0	111.2	W69 H73 L74	W69-P71 HydrophobicContact CH2-CG 3.97Å; W69-P71 HydrophobicContact CZ3-CG 4.4Å; P71-H73 VanDerWaalsContact C-N 3.31Å; P71-H73 PolarHBondContact O-N 2.96Å; P71-L74 HydrophobicContact CB-CD1 4.18Å; P71-L74 HydrophobicContact CB-CG 4.23Å; P71-L74 HydrophobicContact CG-CD1 4.01Å; P71-L74 WeakPolarHBondContact O-CA 3.21Å; P71-L74 WeakPolarHBondContact O-CB 3.32Å; P71-L74 PolarHBondContact O-N 3.03Å
72	S	95.8	Very high	97.6	Very high	42 Å²	42	30.8 Å²	30.8	29%	0.294	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-59.8	-34.1	-168.1	53.7	0	0	0	0	114.9	R70 L74 M75 V96	R70-S72 PolarHBondContact O-N 3.03Å; S72-L74 PolarHBondContact O-N 2.88Å; S72-M75 PolarHBondContact O-N 3.34Å; S72-V96 WeakPolarHBondContact CB-O 3.43Å
73	H	95.6	Very high	97.5	Very high	131 Å²	131	31.5 Å²	31.5	61%	0.606	15%	0.151	S	C	*	.	G	3₁₀ helix	trans	-67.2	-21.6	175.4	59.2	-88.2	0	0	0	113.3	P71 M75	P71-H73 VanDerWaalsContact C-N 3.31Å; P71-H73 PolarHBondContact O-N 2.96Å; H73-M75 VanDerWaalsContact C-N 3.32Å
74	L	96.6	Very high	97.3	Very high	57 Å²	57	33.5 Å²	33.5	30%	0.298	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-90.2	6.9	177.2	-53	-178.5	0	0	0	113.1	E46 P71 S72	E46-L74 WeakPolarHBondContact OE2-CD2 3.31Å; P71-L74 HydrophobicContact CB-CD1 4.18Å; P71-L74 HydrophobicContact CB-CG 4.23Å; P71-L74 HydrophobicContact CG-CD1 4.01Å; P71-L74 WeakPolarHBondContact O-CA 3.21Å; P71-L74 WeakPolarHBondContact O-CB 3.32Å; P71-L74 PolarHBondContact O-N 3.03Å; S72-L74 PolarHBondContact O-N 2.88Å
75	M	97.7	Very high	97.1	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	19%	0.194	C	C	.	.			trans	-118.8	123.2	-175.6	-68.9	-175.3	57.3	0	0	111.5	L43 Y51 R70 S72 H73 V96 I99 M114 I116	L43-M75 HydrophobicContact CD1-CE 4.14Å; L43-M75 HydrophobicContact CD2-CE 4.33Å; Y51-M75 WeakPolarHBondContact OH-CE 3.25Å; R70-M75 HydrophobicContact CB-CG 3.74Å; R70-M75 HydrophobicContact CB-SD 3.94Å; S72-M75 PolarHBondContact O-N 3.34Å; H73-M75 VanDerWaalsContact C-N 3.32Å; M75-V96 HydrophobicContact CB-CB 4.45Å; M75-V96 HydrophobicContact CB-CG2 3.77Å; M75-I99 HydrophobicContact CE-CD1 4.44Å; M75-I99 HydrophobicContact SD-CD1 3.52Å; M75-I99 VanDerWaalsContact SD-CD1 3.52Å; M75-M114 HydrophobicContact CE-CE 4.14Å; M75-I116 HydrophobicContact CE-CD1 3.97Å
76	I	98.4	Very high	96.9	Very high	47 Å²	47	48.3 Å²	48.3	24%	0.241	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	136.3	164.3	-55.3	-58.6	0	0	0	108.2	Q44 V78 F94	Q44-I76 HydrophobicContact CB-CB 4.35Å; Q44-I76 PolarHBondContact N-O 2.82Å; Q44-I76 PolarHBondContact O-N 2.8Å; I76-V78 HydrophobicContact CG2-CG2 3.96Å; I76-F94 WeakPolarHBondContact CA-O 3.31Å
77	V	98.7	Very high	96.7	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.7	170.3	-172.3	0	0	0	0	108	A41 L43 V62 L79 F94 V96 I116 L118	A41-V77 HydrophobicContact CB-CG1 3.97Å; L43-V77 HydrophobicContact CD2-CB 4.43Å; L43-V77 HydrophobicContact CD2-CG1 4.2Å; L43-V77 HydrophobicContact CD2-CG2 3.86Å; V62-V77 HydrophobicContact CG2-CG1 4.21Å; V77-L79 HydrophobicContact CG1-CD2 4.44Å; V77-F94 HydrophobicContact CB-CB 4.39Å; V77-F94 PolarHBondContact N-O 2.8Å; V77-F94 PolarHBondContact O-N 2.87Å; V77-V96 HydrophobicContact CG2-CG2 3.79Å; V77-I116 HydrophobicContact CG2-CG2 4.29Å; V77-L118 HydrophobicContact CB-CD2 3.93Å; V77-L118 HydrophobicContact CG1-CD2 4.02Å; V77-L118 HydrophobicContact CG2-CD2 3.93Å
78	V	98.6	Very high	96.6	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.1	176.5	-166.9	0	0	0	0	109.8	A41 S42 Q44 I76 E81 E91 Q92 N93	A41-V78 WeakPolarHBondContact CA-O 3.13Å; S42-V78 PolarHBondContact N-O 2.95Å; S42-V78 PolarHBondContact O-N 3.35Å; Q44-V78 HydrophobicContact CG-CG2 4.15Å; I76-V78 HydrophobicContact CG2-CG2 3.96Å; V78-E81 HydrophobicContact CG1-CB 4.15Å; V78-E91 HydrophobicContact CG1-CB 3.84Å; V78-E91 HydrophobicContact CG1-CG 4.26Å; V78-Q92 WeakPolarHBondContact CA-O 3.4Å; V78-N93 WeakPolarHBondContact CG2-OD1 3.38Å
79	L	98.7	Very high	96.5	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	150.2	174.6	-54.9	176.4	0	0	0	109.8	A41 L56 V77 E81 E91 Q92 F94 A122 V128	A41-L79 HydrophobicContact CB-CD2 3.59Å; L56-L79 HydrophobicContact CB-CD2 4.35Å; L56-L79 HydrophobicContact CD1-CD1 3.84Å; L56-L79 HydrophobicContact CD1-CD2 4.35Å; L56-L79 HydrophobicContact CD2-CD1 4.1Å; V77-L79 HydrophobicContact CG1-CD2 4.44Å; L79-E81 PolarHBondContact O-N 3.29Å; L79-E91 CarbonylContact O-C 3.44Å; L79-E91 WeakPolarHBondContact O-CA 3.46Å; L79-Q92 HydrophobicContact CB-CB 4.41Å; L79-Q92 PolarHBondContact N-O 2.82Å; L79-Q92 PolarHBondContact O-N 3.45Å; L79-F94 HydrophobicContact CB-CE2 4.35Å; L79-F94 HydrophobicContact CD1-CD2 4.34Å; L79-F94 HydrophobicContact CD1-CE2 3.52Å; L79-F94 HydrophobicContact CD1-CZ 4.06Å; L79-F94 HydrophobicContact CG-CD2 4.36Å; L79-F94 HydrophobicContact CG-CE2 3.81Å; L79-A122 HydrophobicContact CD1-CB 3.71Å; L79-V128 HydrophobicContact CB-CG1 4.31Å; L79-V128 HydrophobicContact CB-CG2 4.03Å; L79-V128 HydrophobicContact CD1-CG1 3.86Å
80	S	97.5	Very high	96.4	Very high	7 Å²	7	54 Å²	54	5%	0.049	28%	0.279	C	S	.	.	S	Bend	trans	61.2	21.6	-174.4	-166.6	0	0	0	0	115	Y35 F90 Y127	Y35-S80 VanDerWaalsContact CD1-O 3.25Å; Y35-S80 WeakPolarHBondContact CD1-O 3.43Å; S80-F90 WeakPolarHBondContact CB-O 3.44Å; S80-Y127 WeakPolarHBondContact OG-CB 3.35Å
81	E	97.5	Very high	96.4	Very high	15 Å²	15	51.2 Å²	51.2	7%	0.07	27%	0.27	C	S	.	.			trans	-63.2	136.8	161.5	176.5	68.5	-97.1	0	0	110.2	Q44 V78 L79 N83 L84 W151	Q44-E81 PolarHBondContact NE2-OE2 2.86Å; Q44-E81 VanDerWaalsContact NE2-OE2 3.11Å; V78-E81 HydrophobicContact CG1-CB 4.15Å; L79-E81 PolarHBondContact O-N 3.29Å; E81-N83 PolarHBondContact OE1-N 2.9Å; E81-L84 HydrophobicContact CG-CD2 3.71Å; E81-L84 PolarHBondContact OE1-N 2.9Å; E81-W151 HydrophobicContact CB-CH2 4.07Å; E81-W151 HydrophobicContact CB-CZ2 3.84Å; E81-W151 HydrophobicContact CG-CH2 3.9Å; E81-W151 HydrophobicContact CG-CZ2 3.38Å
82	H	96.8	Very high	96.5	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.019	26%	0.261	C	S	.	.			trans	-123.8	-48.7	161.9	176	81.4	0	0	0	110.9	E31 V32 P34 Y35 E88 W151 V164 L165	E31-H82 IonicContact OE1-CE1 2.7Å; E31-H82 IonicContact OE1-NE2 2.57Å; E31-H82 PolarHBondContact OE1-NE2 2.8Å; V32-H82 PolarHBondContact O-CE1 3.35Å; P34-H82 HydrophobicContact CB-CB 4.29Å; Y35-H82 HydrophobicContact CD1-CB 4.09Å; Y35-H82 HydrophobicContact CE1-CB 3.88Å; H82-E88 WeakPolarHBondContact CA-OE2 3.29Å; H82-E88 VanDerWaalsContact CB-OE2 3.3Å; H82-E88 WeakPolarHBondContact CB-OE2 3.42Å; H82-E88 IonicContact CD2-OE1 3.56Å; H82-E88 PolarHBondContact N-OE2 3.02Å; H82-E88 VanDerWaalsContact N-OE2 3.12Å; H82-W151 PolarHBondContact O-NE1 2.7Å; H82-V164 CarbonylContact O-C 3.32Å; H82-V164 VanDerWaalsContact O-CA 3.27Å; H82-V164 WeakPolarHBondContact O-CA 3.47Å; H82-L165 PolarHBondContact O-N 2.85Å
83	N	96.5	Very high	96.6	Very high	15 Å²	15	52 Å²	52	8%	0.08	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-115.4	100.9	-176.4	-174.6	3.8	0	0	0	114	E81 R85 E86 E88 P163 V164	E81-N83 PolarHBondContact OE1-N 2.9Å; N83-R85 PolarHBondContact O-N 2.88Å; N83-E86 HydrophobicContact CB-CB 4.49Å; N83-E86 PolarHBondContact ND2-OE1 3.29Å; N83-E86 PolarHBondContact ND2-OE2 3.37Å; N83-E86 PolarHBondContact O-N 3.45Å; N83-E88 PolarHBondContact N-OE2 3.25Å; N83-P163 CarbonylContact C-O 3.58Å; N83-P163 WeakPolarHBondContact CA-O 3.31Å; N83-V164 HydrophobicContact CB-CG1 4.32Å
84	L	95.1	Very high	96.8	Very high	42 Å²	42	45.9 Å²	45.9	22%	0.22	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	9.3	-178.4	-63	177.7	0	0	0	116.5	H50 E81 W151 P163	H50-L84 HydrophobicContact CB-CD1 3.76Å; H50-L84 HydrophobicContact CB-CD2 3.91Å; H50-L84 HydrophobicContact CB-CG 4.49Å; E81-L84 HydrophobicContact CG-CD2 3.71Å; E81-L84 PolarHBondContact OE1-N 2.9Å; L84-W151 HydrophobicContact CD1-CB 3.54Å; L84-W151 HydrophobicContact CD1-CD2 4.13Å; L84-W151 HydrophobicContact CD1-CG 3.45Å; L84-W151 VanDerWaalsContact CD1-CG 3.45Å; L84-W151 HydrophobicContact CD2-CD2 4.34Å; L84-W151 HydrophobicContact CD2-CG 4.44Å; L84-W151 HydrophobicContact CG-CB 4.49Å; L84-W151 HydrophobicContact CG-CD2 4.27Å; L84-W151 HydrophobicContact CG-CG 3.88Å; L84-P163 PolarHBondContact N-O 2.83Å
85	R	94.2	Very high	96.9	Very high	183 Å²	183	44.2 Å²	44.2	69%	0.691	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.3	-6	179.9	-62.1	-173.6	180	168.5	3.6	113.5	N83 P163	N83-R85 PolarHBondContact O-N 2.88Å; R85-P163 HydrophobicContact CG-CB 4.21Å
86	E	94.5	Very high	96.9	Very high	129 Å²	129	44.8 Å²	44.8	60%	0.603	24%	0.239	S	C	*	.	S	Bend	trans	-125.3	-175.3	-175.1	-76.1	164.9	-134.6	0	0	109.2	N83	N83-E86 HydrophobicContact CB-CB 4.49Å; N83-E86 PolarHBondContact ND2-OE1 3.29Å; N83-E86 PolarHBondContact ND2-OE2 3.37Å; N83-E86 PolarHBondContact O-N 3.45Å
87	T	93.8	Very high	96.9	Very high	128 Å²	128	45.6 Å²	45.6	79%	0.785	25%	0.249	S	C	*	.			trans	-140.5	105.9	169.2	-56	0	0	0	0	106.4	E91	T87-E91 VanDerWaalsContact CA-OE1 3.29Å; T87-E91 WeakPolarHBondContact CA-OE1 3.44Å
88	E	94	Very high	96.9	Very high	49 Å²	49	49.6 Å²	49.6	23%	0.229	27%	0.266	C	S	.	.			trans	-87.3	-17.8	-164.4	-59.6	176.2	100.4	0	0	111.9	Y35 H82 N83 F90 E91	Y35-E88 HydrophobicContact CE1-CB 4.29Å; Y35-E88 WeakPolarHBondContact OH-CB 3.15Å; Y35-E88 PolarHBondContact OH-OE1 2.82Å; H82-E88 WeakPolarHBondContact CA-OE2 3.29Å; H82-E88 VanDerWaalsContact CB-OE2 3.3Å; H82-E88 WeakPolarHBondContact CB-OE2 3.42Å; H82-E88 IonicContact CD2-OE1 3.56Å; H82-E88 PolarHBondContact N-OE2 3.02Å; H82-E88 VanDerWaalsContact N-OE2 3.12Å; N83-E88 PolarHBondContact N-OE2 3.25Å; E88-F90 HydrophobicContact CB-CD2 4.38Å; E88-E91 PolarHBondContact N-OE1 3.41Å
89	G	94.8	Very high	96.8	Very high	64 Å²	64	51.1 Å²	51.1	66%	0.66	27%	0.274	S	S	*	.	S	Bend	trans	95.1	9.8	173.1	0	0	0	0	0	115	E91	G89-E91 WeakPolarHBondContact CA-OE2 3.4Å; G89-E91 PolarHBondContact N-OE2 2.96Å
90	F	95.6	Very high	96.8	Very high	82 Å²	82	53.2 Å²	53.2	36%	0.36	28%	0.282	S	S	.	.			trans	-114.1	-9.8	-180	-58.5	-74.1	0	0	0	113.1	Y35 S80 E88 Y127	Y35-F90 HydrophobicContact CD2-CD2 4.34Å; Y35-F90 HydrophobicContact CE1-CB 4.45Å; Y35-F90 HydrophobicContact CE1-CD2 4.06Å; Y35-F90 AromaticContact CE2-CD2 3.58Å; Y35-F90 HydrophobicContact CE2-CD2 3.58Å; Y35-F90 AromaticContact CE2-CE2 3.84Å; Y35-F90 HydrophobicContact CE2-CE2 3.84Å; Y35-F90 HydrophobicContact CE2-CG 4.27Å; Y35-F90 AromaticContact CZ-CD2 3.43Å; Y35-F90 VanDerWaalsContact CZ-CD2 3.43Å; Y35-F90 AromaticContact CZ-CE2 3.94Å; Y35-F90 WeakPolarHBondContact OH-CD2 3.33Å; S80-F90 WeakPolarHBondContact CB-O 3.44Å; E88-F90 HydrophobicContact CB-CD2 4.38Å; F90-Y127 HydrophobicContact CB-CD2 4.42Å; F90-Y127 AromaticContact CD1-CD2 3.7Å; F90-Y127 HydrophobicContact CD1-CD2 3.7Å; F90-Y127 AromaticContact CD1-CE2 3.43Å; F90-Y127 HydrophobicContact CD1-CE2 3.43Å; F90-Y127 VanDerWaalsContact CD1-CE2 3.43Å; F90-Y127 HydrophobicContact CE1-CD2 4.34Å; F90-Y127 AromaticContact CE1-CE2 3.6Å; F90-Y127 HydrophobicContact CE1-CE2 3.6Å; F90-Y127 HydrophobicContact CG-CD2 4.26Å; F90-Y127 HydrophobicContact CG-CE2 4.28Å
91	E	97.6	Very high	96.9	Very high	31 Å²	31	55.9 Å²	55.9	15%	0.145	30%	0.298	C	S	.	.			trans	-69.3	130.6	-172.1	-56	91.6	145.8	0	0	112	V78 L79 T87 E88 G89	V78-E91 HydrophobicContact CG1-CB 3.84Å; V78-E91 HydrophobicContact CG1-CG 4.26Å; L79-E91 CarbonylContact O-C 3.44Å; L79-E91 WeakPolarHBondContact O-CA 3.46Å; T87-E91 VanDerWaalsContact CA-OE1 3.29Å; T87-E91 WeakPolarHBondContact CA-OE1 3.44Å; E88-E91 PolarHBondContact N-OE1 3.41Å; G89-E91 WeakPolarHBondContact CA-OE2 3.4Å; G89-E91 PolarHBondContact N-OE2 2.96Å
92	Q	98.4	Very high	96.9	Very high	24 Å²	24	57 Å²	57	11%	0.112	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	111.5	171.7	-59.6	-175.6	44.1	0	0	108.8	V78 L79 F94 V123	V78-Q92 WeakPolarHBondContact CA-O 3.4Å; L79-Q92 HydrophobicContact CB-CB 4.41Å; L79-Q92 PolarHBondContact N-O 2.82Å; L79-Q92 PolarHBondContact O-N 3.45Å; Q92-F94 HydrophobicContact CB-CE2 3.43Å; Q92-F94 VanDerWaalsContact CB-CE2 3.43Å; Q92-F94 HydrophobicContact CB-CZ 3.6Å; Q92-F94 VanDerWaalsContact O-CD2 3.27Å; Q92-F94 WeakPolarHBondContact O-CD2 3.49Å; Q92-F94 WeakPolarHBondContact O-CE2 3.31Å; Q92-V123 PolarHBondContact NE2-O 3.1Å
93	N	98.3	Very high	96.9	Very high	82 Å²	82	62.9 Å²	62.9	44%	0.439	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	129.1	-177.5	-76.3	-99.5	0	0	0	110.4	V78 R120	V78-N93 WeakPolarHBondContact CG2-OD1 3.38Å; N93-R120 VanDerWaalsContact O-CZ 3.29Å; N93-R120 PolarHBondContact O-NH1 3.01Å; N93-R120 PolarHBondContact O-NH2 3.5Å
94	F	98.8	Very high	96.9	Very high	2 Å²	2	64.9 Å²	64.9	1%	0.009	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	136.7	-178.1	-52.4	-95.8	0	0	0	110.9	I76 V77 L79 Q92 L118 R120 A122	I76-F94 WeakPolarHBondContact CA-O 3.31Å; V77-F94 HydrophobicContact CB-CB 4.39Å; V77-F94 PolarHBondContact N-O 2.8Å; V77-F94 PolarHBondContact O-N 2.87Å; L79-F94 HydrophobicContact CB-CE2 4.35Å; L79-F94 HydrophobicContact CD1-CD2 4.34Å; L79-F94 HydrophobicContact CD1-CE2 3.52Å; L79-F94 HydrophobicContact CD1-CZ 4.06Å; L79-F94 HydrophobicContact CG-CD2 4.36Å; L79-F94 HydrophobicContact CG-CE2 3.81Å; Q92-F94 HydrophobicContact CB-CE2 3.43Å; Q92-F94 VanDerWaalsContact CB-CE2 3.43Å; Q92-F94 HydrophobicContact CB-CZ 3.6Å; Q92-F94 VanDerWaalsContact O-CD2 3.27Å; Q92-F94 WeakPolarHBondContact O-CD2 3.49Å; Q92-F94 WeakPolarHBondContact O-CE2 3.31Å; F94-L118 HydrophobicContact CB-CB 4.29Å; F94-L118 HydrophobicContact CB-CD2 4.01Å; F94-L118 HydrophobicContact CD1-CB 4.08Å; F94-L118 HydrophobicContact CD1-CD1 3.94Å; F94-L118 HydrophobicContact CD1-CG 4.46Å; F94-L118 HydrophobicContact CD2-CD1 4.16Å; F94-L118 HydrophobicContact CD2-CD2 4.48Å; F94-L118 HydrophobicContact CE1-CD1 4.09Å; F94-L118 HydrophobicContact CE2-CD1 4.31Å; F94-L118 HydrophobicContact CG-CB 4.3Å; F94-L118 HydrophobicContact CG-CD1 4Å; F94-L118 HydrophobicContact CG-CD2 4.19Å; F94-L118 HydrophobicContact CG-CG 4.38Å; F94-L118 HydrophobicContact CZ-CD1 4.29Å; F94-R120 HydrophobicContact CD1-CG 3.98Å; F94-R120 HydrophobicContact CE1-CG 4.02Å; F94-A122 HydrophobicContact CE1-CB 4.16Å; F94-A122 HydrophobicContact CE2-CB 4.38Å; F94-A122 HydrophobicContact CZ-CB 3.6Å
95	G	98.6	Very high	97	Very high	21 Å²	21	66.1 Å²	66.1	22%	0.216	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	169.2	155.3	0	0	0	0	0	111	D119	G95-D119 WeakPolarHBondContact CA-OD2 3.35Å; G95-D119 PolarHBondContact N-OD2 3.42Å; G95-D119 WeakPolarHBondContact O-CB 3.49Å; G95-D119 PolarHBondContact O-N 2.83Å
96	V	98.6	Very high	97	Very high	14 Å²	14	65.2 Å²	65.2	9%	0.085	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	120.8	178.6	175.2	0	0	0	0	110.3	S72 M75 V77 K98 I99 I116	S72-V96 WeakPolarHBondContact CB-O 3.43Å; M75-V96 HydrophobicContact CB-CB 4.45Å; M75-V96 HydrophobicContact CB-CG2 3.77Å; V77-V96 HydrophobicContact CG2-CG2 3.79Å; V96-K98 WeakPolarHBondContact CG1-O 3.42Å; V96-I99 HydrophobicContact CG1-CD1 4.04Å; V96-I99 HydrophobicContact CG1-CG1 3.49Å; V96-I99 VanDerWaalsContact CG1-CG1 3.49Å; V96-I116 HydrophobicContact CB-CG2 4.18Å; V96-I116 HydrophobicContact CG1-CG2 3.55Å; V96-I116 HydrophobicContact CG2-CG2 3.57Å
97	S	98	Very high	97	Very high	64 Å²	64	66.1 Å²	66.1	45%	0.448	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-38.7	175.8	59.3	0	0	0	0	111.9	K117 L118	S97-K117 PolarHBondContact N-O 2.86Å; S97-K117 WeakPolarHBondContact OG-CB 3.29Å; S97-K117 PolarHBondContact OG-O 2.83Å; S97-K117 VanDerWaalsContact OG-O 3.1Å; S97-L118 WeakPolarHBondContact CB-O 3.47Å; S97-L118 PolarHBondContact OG-O 2.8Å
98	K	98.1	Very high	97	Very high	84 Å²	84	62.7 Å²	62.7	37%	0.365	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	150.8	-175.6	-153.8	164.7	-179.4	180	0	112.1	V96 Y100 K117 D251	V96-K98 WeakPolarHBondContact CG1-O 3.42Å; K98-Y100 HydrophobicContact CB-CE2 4.26Å; K98-Y100 HydrophobicContact CD-CE2 3.65Å; K98-Y100 WeakPolarHBondContact CD-OH 3.49Å; K98-Y100 WeakPolarHBondContact CE-OH 3.17Å; K98-Y100 HydrophobicContact CG-CD2 4.35Å; K98-Y100 HydrophobicContact CG-CE2 3.75Å; K98-Y100 PolarHBondContact NZ-OH 2.85Å; K98-K117 HydrophobicContact CB-CB 4.08Å; K98-K117 PolarHBondContact N-O 2.79Å; K98-K117 PolarHBondContact O-N 3.45Å; K98-D251 WeakPolarHBondContact CD-OD2 3.38Å; K98-D251 IonicContact NZ-OD2 2.66Å; K98-D251 PolarHBondContact NZ-OD2 2.96Å
99	I	98.5	Very high	97	Very high	32 Å²	32	63.3 Å²	63.3	16%	0.164	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	134.3	174.2	-49.7	169.3	0	0	0	109.3	R70 M75 V96 V101 M114 L115	R70-I99 VanDerWaalsContact O-CD1 3.29Å; R70-I99 WeakPolarHBondContact O-CD1 3.34Å; M75-I99 HydrophobicContact CE-CD1 4.44Å; M75-I99 HydrophobicContact SD-CD1 3.52Å; M75-I99 VanDerWaalsContact SD-CD1 3.52Å; V96-I99 HydrophobicContact CG1-CD1 4.04Å; V96-I99 HydrophobicContact CG1-CG1 3.49Å; V96-I99 VanDerWaalsContact CG1-CG1 3.49Å; I99-V101 HydrophobicContact CG2-CG2 4.41Å; I99-M114 HydrophobicContact CG2-CB 4.19Å; I99-M114 HydrophobicContact CG2-CG 4.35Å; I99-M114 HydrophobicContact CG2-SD 3.81Å; I99-L115 WeakPolarHBondContact CA-O 3.32Å
100	Y	98.6	Very high	97.1	Very high	46 Å²	46	61.8 Å²	61.8	18%	0.18	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122	176.2	-66.4	-98.1	0	0	0	109.7	W61 K98 M114 L115 I247 D251	W61-Y100 HydrophobicContact CH2-CE2 4.1Å; W61-Y100 HydrophobicContact CZ3-CD2 4.26Å; W61-Y100 HydrophobicContact CZ3-CE2 4.13Å; K98-Y100 HydrophobicContact CB-CE2 4.26Å; K98-Y100 HydrophobicContact CD-CE2 3.65Å; K98-Y100 WeakPolarHBondContact CD-OH 3.49Å; K98-Y100 WeakPolarHBondContact CE-OH 3.17Å; K98-Y100 HydrophobicContact CG-CD2 4.35Å; K98-Y100 HydrophobicContact CG-CE2 3.75Å; K98-Y100 PolarHBondContact NZ-OH 2.85Å; Y100-M114 CarbonylContact O-C 3.34Å; Y100-M114 WeakPolarHBondContact O-CA 3.45Å; Y100-M114 WeakPolarHBondContact O-CB 3.45Å; Y100-L115 PolarHBondContact N-O 3.26Å; Y100-L115 PolarHBondContact O-N 2.67Å; Y100-I247 HydrophobicContact CD1-CD1 3.71Å; Y100-I247 HydrophobicContact CD1-CG1 4.28Å; Y100-I247 HydrophobicContact CD1-CG2 3.87Å; Y100-I247 HydrophobicContact CD2-CG2 3.54Å; Y100-I247 HydrophobicContact CE1-CD1 3.85Å; Y100-I247 HydrophobicContact CE1-CG2 3.84Å; Y100-I247 HydrophobicContact CE2-CG2 3.53Å; Y100-I247 HydrophobicContact CG-CD1 4.39Å; Y100-I247 HydrophobicContact CG-CG1 4.48Å; Y100-I247 HydrophobicContact CG-CG2 3.68Å; Y100-D251 WeakPolarHBondContact OH-CB 3.46Å; Y100-D251 VanDerWaalsContact OH-CG 3.28Å; Y100-D251 PolarHBondContact OH-OD2 3.46Å
101	V	98.4	Very high	97.3	Very high	63 Å²	63	59 Å²	59	38%	0.382	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126.9	178.7	179.3	0	0	0	0	109.4	A66 W69 I99 N103 M114	A66-V101 HydrophobicContact CB-CG1 3.76Å; W69-V101 HydrophobicContact CG-CG2 4.42Å; I99-V101 HydrophobicContact CG2-CG2 4.41Å; V101-N103 PolarHBondContact O-N 2.95Å; V101-M114 HydrophobicContact CG2-CB 4.01Å
102	H	97.7	Very high	97.3	Very high	39 Å²	39	57.5 Å²	57.5	18%	0.181	29%	0.288	C	S	.	.			trans	-88.6	92.6	-177.7	-169.2	98.1	0	0	0	111.8	Y104 N111 I113 Y240 W243	H102-Y104 PolarHBondContact O-N 2.95Å; H102-N111 WeakPolarHBondContact O-CB 3.41Å; H102-I113 HydrophobicContact CB-CG2 3.82Å; H102-I113 PolarHBondContact N-O 2.77Å; H102-Y240 AromaticContact CD2-CE1 3.75Å; H102-W243 HydrophobicContact CB-CD2 4.01Å; H102-W243 HydrophobicContact CB-CE3 4.18Å; H102-W243 HydrophobicContact CB-CH2 3.95Å; H102-W243 HydrophobicContact CB-CZ2 3.75Å; H102-W243 HydrophobicContact CB-CZ3 4.16Å; H102-W243 AromaticContact CE1-CD1 3.8Å; H102-W243 AromaticContact CE1-CG 3.83Å; H102-W243 AromaticContact CG-CD2 4Å; H102-W243 AromaticContact ND1-CD1 3.17Å; H102-W243 AromaticContact ND1-CD2 3.33Å; H102-W243 VanDerWaalsContact ND1-CD2 3.33Å; H102-W243 AromaticContact ND1-CE2 3.46Å; H102-W243 AromaticContact ND1-CG 3.16Å; H102-W243 AromaticContact ND1-NE1 3.31Å; H102-W243 PolarHBondContact ND1-NE1 2.9Å
103	N	96.1	Very high	97.3	Very high	126 Å²	126	56.4 Å²	56.4	67%	0.674	28%	0.282	S	S	*	.	S	Bend	trans	46.1	40.1	165.6	-62.7	-43.1	0	0	0	114.9	V101 N111	V101-N103 PolarHBondContact O-N 2.95Å; N103-N111 PolarHBondContact O-ND2 3.37Å
104	Y	97.7	Very high	97.3	Very high	58 Å²	58	52.5 Å²	52.5	23%	0.227	26%	0.262	C	S	.	.			trans	-69	132.7	-169.5	171.7	-124.7	0	0	0	112.6	A66 H67 H102 F109 D112	A66-Y104 HydrophobicContact CB-CD1 3.8Å; A66-Y104 HydrophobicContact CB-CD2 3.83Å; A66-Y104 HydrophobicContact CB-CE1 4.42Å; A66-Y104 HydrophobicContact CB-CE2 4.44Å; A66-Y104 HydrophobicContact CB-CG 3.47Å; A66-Y104 VanDerWaalsContact CB-CG 3.47Å; H67-Y104 HydrophobicContact CB-CE1 4.36Å; H102-Y104 PolarHBondContact O-N 2.95Å; Y104-F109 WeakPolarHBondContact OH-CD1 3.13Å; Y104-D112 HydrophobicContact CD2-CB 3.97Å; Y104-D112 HydrophobicContact CE2-CB 3.7Å
105	N	97.2	Very high	97.3	Very high	68 Å²	68	52.4 Å²	52.4	36%	0.364	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-108.6	96.8	176.8	-173.6	-23.6	0	0	0	111.7	K107 T108 F109 N110	N105-K107 PolarHBondContact O-N 3.23Å; N105-K107 WeakPolarHBondContact OD1-CB 3.38Å; N105-K107 PolarHBondContact OD1-N 3.33Å; N105-T108 WeakPolarHBondContact CB-OG1 3.29Å; N105-T108 VanDerWaalsContact CG-OG1 3.25Å; N105-T108 PolarHBondContact ND2-OG1 3.01Å; N105-T108 PolarHBondContact O-N 2.97Å; N105-T108 VanDerWaalsContact O-N 3.09Å; N105-T108 PolarHBondContact OD1-N 2.89Å; N105-F109 WeakPolarHBondContact O-CA 3.48Å; N105-F109 PolarHBondContact O-N 2.93Å; N105-N110 HydrophobicContact CB-CB 4.47Å; N105-N110 PolarHBondContact N-O 2.99Å
106	Y	94.1	Very high	97.3	Very high	163 Å²	163	51.4 Å²	51.4	64%	0.639	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-14	179.7	73	-92.8	0	0	0	115.8
107	K	93.4	Very high	97.4	Very high	148 Å²	148	52 Å²	52	64%	0.643	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-28.3	177.2	-60.3	-172.1	-178.8	-177.2	0	113	N105	N105-K107 PolarHBondContact O-N 3.23Å; N105-K107 WeakPolarHBondContact OD1-CB 3.38Å; N105-K107 PolarHBondContact OD1-N 3.33Å
108	T	94.3	Very high	97.4	Very high	57 Å²	57	49 Å²	49	35%	0.35	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-9.8	-176.2	60.3	0	0	0	0	113.3	N105 N110 M188	N105-T108 WeakPolarHBondContact CB-OG1 3.29Å; N105-T108 VanDerWaalsContact CG-OG1 3.25Å; N105-T108 PolarHBondContact ND2-OG1 3.01Å; N105-T108 PolarHBondContact O-N 2.97Å; N105-T108 VanDerWaalsContact O-N 3.09Å; N105-T108 PolarHBondContact OD1-N 2.89Å; T108-N110 PolarHBondContact O-N 2.71Å; T108-N110 WeakPolarHBondContact OG1-CB 3.37Å; T108-N110 PolarHBondContact OG1-N 3.07Å; T108-M188 WeakPolarHBondContact O-CE 3.42Å
109	F	95	Very high	97.4	Very high	62 Å²	62	48.8 Å²	48.8	27%	0.272	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	18.5	-167	-66.2	-102.9	0	0	0	113.5	H67 Y104 N105 D112 M188 W221	H67-F109 HydrophobicContact CB-CE1 4.44Å; Y104-F109 WeakPolarHBondContact OH-CD1 3.13Å; N105-F109 WeakPolarHBondContact O-CA 3.48Å; N105-F109 PolarHBondContact O-N 2.93Å; F109-D112 WeakPolarHBondContact O-CB 3.39Å; F109-M188 HydrophobicContact CB-CE 4.44Å; F109-M188 WeakPolarHBondContact O-CE 3.28Å; F109-W221 HydrophobicContact CB-CG 4.17Å; F109-W221 HydrophobicContact CD1-CB 4.23Å; F109-W221 HydrophobicContact CD1-CG 4.41Å; F109-W221 HydrophobicContact CG-CB 4.4Å; F109-W221 AromaticContact CG-CD1 3.82Å; F109-W221 HydrophobicContact CG-CG 4.14Å
110	N	97.3	Very high	97.4	Very high	32 Å²	32	52.5 Å²	52.5	17%	0.171	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-73.8	140.2	175	-168.4	55.8	0	0	0	110.8	N105 T108 D112 T185 M188	N105-N110 HydrophobicContact CB-CB 4.47Å; N105-N110 PolarHBondContact N-O 2.99Å; T108-N110 PolarHBondContact O-N 2.71Å; T108-N110 WeakPolarHBondContact OG1-CB 3.37Å; T108-N110 PolarHBondContact OG1-N 3.07Å; N110-D112 VanDerWaalsContact C-N 3.33Å; N110-T185 HydrophobicContact CB-CG2 4.21Å; N110-T185 WeakPolarHBondContact OD1-CB 3.48Å; N110-T185 WeakPolarHBondContact OD1-CG2 3.36Å; N110-T185 PolarHBondContact OD1-OG1 3.16Å; N110-M188 HydrophobicContact CB-CE 4.32Å
111	N	98.1	Very high	97.4	Very high	23 Å²	23	53.3 Å²	53.3	12%	0.123	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	57	41.7	-171.8	-41.3	-41	0	0	0	113.6	H102 N103 I113 N187 Y240	H102-N111 WeakPolarHBondContact O-CB 3.41Å; N103-N111 PolarHBondContact O-ND2 3.37Å; N111-I113 PolarHBondContact O-N 3.25Å; N111-N187 PolarHBondContact OD1-ND2 2.81Å; N111-Y240 VanDerWaalsContact CA-OH 3.28Å; N111-Y240 WeakPolarHBondContact CA-OH 3.43Å; N111-Y240 HydrophobicContact CB-CE1 4.41Å; N111-Y240 PolarHBondContact OD1-OH 3.3Å
112	D	98.3	Very high	97.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.242	C	C	.	.			trans	-76.7	72.1	175.4	-171.8	25.1	0	0	0	111.3	A66 H67 Y104 F109 N110 S220 T235	A66-D112 WeakPolarHBondContact CA-OD1 3.33Å; A66-D112 WeakPolarHBondContact CB-OD1 3.43Å; A66-D112 PolarHBondContact N-OD1 2.96Å; H67-D112 IonicContact CE1-OD2 2.72Å; H67-D112 IonicContact CG-OD1 3.32Å; H67-D112 IonicContact CG-OD2 3.92Å; H67-D112 PolarHBondContact N-OD1 3.4Å; H67-D112 IonicContact ND1-OD1 3.47Å; H67-D112 PolarHBondContact ND1-OD1 3.34Å; H67-D112 IonicContact ND1-OD2 3.41Å; H67-D112 PolarHBondContact ND1-OD2 2.96Å; Y104-D112 HydrophobicContact CD2-CB 3.97Å; Y104-D112 HydrophobicContact CE2-CB 3.7Å; F109-D112 WeakPolarHBondContact O-CB 3.39Å; N110-D112 VanDerWaalsContact C-N 3.33Å; D112-S220 WeakPolarHBondContact CB-OG 3.18Å; D112-S220 WeakPolarHBondContact OD2-CB 3.35Å; D112-S220 PolarHBondContact OD2-OG 3.18Å; D112-T235 WeakPolarHBondContact O-CB 3.45Å; D112-T235 PolarHBondContact O-OG1 2.91Å
113	I	98.8	Very high	97.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.262	C	S	.	.			trans	-145.9	136.2	177.8	-176.5	173.1	0	0	0	111.2	V63 S64 H102 N111 I218 T235 Y240 W243 I244	V63-I113 HydrophobicContact CG1-CD1 3.97Å; V63-I113 HydrophobicContact CG1-CG1 3.98Å; S64-I113 WeakPolarHBondContact O-CA 3.12Å; H102-I113 HydrophobicContact CB-CG2 3.82Å; H102-I113 PolarHBondContact N-O 2.77Å; N111-I113 PolarHBondContact O-N 3.25Å; I113-I218 HydrophobicContact CB-CD1 3.89Å; I113-I218 HydrophobicContact CD1-CD1 3.62Å; I113-I218 HydrophobicContact CG1-CD1 3.55Å; I113-T235 HydrophobicContact CB-CG2 4.18Å; I113-T235 HydrophobicContact CG2-CG2 4.45Å; I113-Y240 HydrophobicContact CD1-CD2 4.31Å; I113-Y240 HydrophobicContact CD1-CG 4Å; I113-Y240 HydrophobicContact CG2-CD1 3.82Å; I113-Y240 HydrophobicContact CG2-CD2 4.31Å; I113-Y240 HydrophobicContact CG2-CE1 3.9Å; I113-Y240 HydrophobicContact CG2-CE2 4.39Å; I113-Y240 HydrophobicContact CG2-CG 4.03Å; I113-W243 HydrophobicContact CD1-CE3 4.39Å; I113-W243 HydrophobicContact CD1-CZ3 3.96Å; I113-W243 HydrophobicContact CG1-CZ3 3.97Å; I113-W243 HydrophobicContact CG2-CZ3 4.31Å; I113-I244 HydrophobicContact CD1-CD1 4.08Å; I113-I244 HydrophobicContact CD1-CG1 4.36Å
114	M	98.6	Very high	97.6	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	152.4	166	69.2	-179.6	-179	0	0	111.4	L43 S64 A65 C68 W69 M75 I99 Y100 V101 I116	L43-M114 HydrophobicContact CD1-CE 4.14Å; S64-M114 PolarHBondContact N-O 2.98Å; S64-M114 PolarHBondContact O-N 3.09Å; A65-M114 WeakPolarHBondContact O-CE 3.41Å; A65-M114 WeakPolarHBondContact O-CG 3.4Å; C68-M114 HydrophobicContact CB-CE 3.88Å; W69-M114 HydrophobicContact CB-SD 3.91Å; M75-M114 HydrophobicContact CE-CE 4.14Å; I99-M114 HydrophobicContact CG2-CB 4.19Å; I99-M114 HydrophobicContact CG2-CG 4.35Å; I99-M114 HydrophobicContact CG2-SD 3.81Å; Y100-M114 CarbonylContact O-C 3.34Å; Y100-M114 WeakPolarHBondContact O-CA 3.45Å; Y100-M114 WeakPolarHBondContact O-CB 3.45Å; V101-M114 HydrophobicContact CG2-CB 4.01Å; M114-I116 HydrophobicContact CE-CD1 4.06Å; M114-I116 HydrophobicContact CE-CG1 4.35Å; M114-I116 HydrophobicContact CG-CG1 4.49Å
115	L	98.7	Very high	97.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	126.9	174.2	-171.6	72.8	0	0	0	108.7	V57 W61 V63 I99 Y100 W243 I244 I247 M248	V57-L115 HydrophobicContact CG2-CD1 4.31Å; W61-L115 HydrophobicContact CB-CD1 4.37Å; W61-L115 HydrophobicContact CD2-CD2 4.26Å; W61-L115 HydrophobicContact CE3-CD1 4.31Å; W61-L115 HydrophobicContact CE3-CD2 3.55Å; W61-L115 HydrophobicContact CE3-CG 3.64Å; W61-L115 HydrophobicContact CH2-CD2 4.5Å; W61-L115 HydrophobicContact CZ3-CD2 3.66Å; W61-L115 HydrophobicContact CZ3-CG 4Å; V63-L115 HydrophobicContact CG2-CD1 3.53Å; I99-L115 WeakPolarHBondContact CA-O 3.32Å; Y100-L115 PolarHBondContact N-O 3.26Å; Y100-L115 PolarHBondContact O-N 2.67Å; L115-W243 HydrophobicContact CB-CH2 3.82Å; L115-W243 HydrophobicContact CB-CZ3 4.17Å; L115-I244 HydrophobicContact CD1-CG2 4.23Å; L115-I247 HydrophobicContact CD2-CB 3.89Å; L115-I247 HydrophobicContact CD2-CG2 3.72Å; L115-M248 HydrophobicContact CD2-CG 3.96Å
116	I	98.9	Very high	97.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	124.4	-175.2	-49.4	172.6	0	0	0	107.5	L43 W61 V62 M75 V77 V96 M114	L43-I116 HydrophobicContact CD1-CD1 4.06Å; L43-I116 HydrophobicContact CD2-CD1 3.76Å; W61-I116 WeakPolarHBondContact CA-O 3.4Å; V62-I116 HydrophobicContact CB-CB 4.32Å; V62-I116 HydrophobicContact CG1-CD1 4.23Å; V62-I116 PolarHBondContact N-O 2.96Å; V62-I116 WeakPolarHBondContact O-CB 3.27Å; V62-I116 PolarHBondContact O-N 2.97Å; M75-I116 HydrophobicContact CE-CD1 3.97Å; V77-I116 HydrophobicContact CG2-CG2 4.29Å; V96-I116 HydrophobicContact CB-CG2 4.18Å; V96-I116 HydrophobicContact CG1-CG2 3.55Å; V96-I116 HydrophobicContact CG2-CG2 3.57Å; M114-I116 HydrophobicContact CE-CD1 4.06Å; M114-I116 HydrophobicContact CE-CG1 4.35Å; M114-I116 HydrophobicContact CG-CG1 4.49Å
117	K	98.8	Very high	97.8	Very high	26 Å²	26	46.8 Å²	46.8	11%	0.113	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	127.3	167.5	-160.8	173.3	-176.8	170	0	109.1	E60 W61 S97 K98 D251	E60-K117 WeakPolarHBondContact O-CA 3.45Å; W61-K117 HydrophobicContact CD2-CB 4.5Å; W61-K117 HydrophobicContact CD2-CG 4.27Å; W61-K117 HydrophobicContact CE3-CB 3.83Å; W61-K117 HydrophobicContact CE3-CG 4.09Å; W61-K117 HydrophobicContact CH2-CB 3.98Å; W61-K117 HydrophobicContact CH2-CD 3.66Å; W61-K117 HydrophobicContact CH2-CG 3.96Å; W61-K117 HydrophobicContact CZ2-CD 3.71Å; W61-K117 HydrophobicContact CZ2-CG 4.06Å; W61-K117 HydrophobicContact CZ3-CB 3.56Å; W61-K117 HydrophobicContact CZ3-CD 4.16Å; W61-K117 HydrophobicContact CZ3-CG 3.96Å; S97-K117 PolarHBondContact N-O 2.86Å; S97-K117 WeakPolarHBondContact OG-CB 3.29Å; S97-K117 PolarHBondContact OG-O 2.83Å; S97-K117 VanDerWaalsContact OG-O 3.1Å; K98-K117 HydrophobicContact CB-CB 4.08Å; K98-K117 PolarHBondContact N-O 2.79Å; K98-K117 PolarHBondContact O-N 3.45Å; K117-D251 WeakPolarHBondContact CD-OD1 3.33Å; K117-D251 WeakPolarHBondContact CE-OD1 3.4Å; K117-D251 PolarHBondContact NZ-O 2.96Å; K117-D251 IonicContact NZ-OD1 3.29Å; K117-D251 PolarHBondContact NZ-OD1 2.93Å; K117-D251 PolarHBondContact NZ-OXT 3.49Å
118	L	98.8	Very high	98	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	164.5	177.4	-56.6	-178	0	0	0	110.8	L56 E60 V62 V77 F94 S97 R120 A122	L56-L118 HydrophobicContact CD1-CD1 4.45Å; E60-L118 PolarHBondContact O-N 3.05Å; V62-L118 HydrophobicContact CG2-CD2 4.05Å; V77-L118 HydrophobicContact CB-CD2 3.93Å; V77-L118 HydrophobicContact CG1-CD2 4.02Å; V77-L118 HydrophobicContact CG2-CD2 3.93Å; F94-L118 HydrophobicContact CB-CB 4.29Å; F94-L118 HydrophobicContact CB-CD2 4.01Å; F94-L118 HydrophobicContact CD1-CB 4.08Å; F94-L118 HydrophobicContact CD1-CD1 3.94Å; F94-L118 HydrophobicContact CD1-CG 4.46Å; F94-L118 HydrophobicContact CD2-CD1 4.16Å; F94-L118 HydrophobicContact CD2-CD2 4.48Å; F94-L118 HydrophobicContact CE1-CD1 4.09Å; F94-L118 HydrophobicContact CE2-CD1 4.31Å; F94-L118 HydrophobicContact CG-CB 4.3Å; F94-L118 HydrophobicContact CG-CD1 4Å; F94-L118 HydrophobicContact CG-CD2 4.19Å; F94-L118 HydrophobicContact CG-CG 4.38Å; F94-L118 HydrophobicContact CZ-CD1 4.29Å; S97-L118 WeakPolarHBondContact CB-O 3.47Å; S97-L118 PolarHBondContact OG-O 2.8Å; L118-R120 WeakPolarHBondContact CB-O 3.42Å; L118-R120 PolarHBondContact O-N 2.76Å; L118-A122 HydrophobicContact CD1-CB 4.48Å
119	D	98.4	Very high	98.2	Very high	79 Å²	79	40.6 Å²	40.6	42%	0.422	21%	0.212	S	C	.	.	S	Bend	trans	-68.8	-20.8	173.3	64.3	10.3	0	0	0	113.7	G95	G95-D119 WeakPolarHBondContact CA-OD2 3.35Å; G95-D119 PolarHBondContact N-OD2 3.42Å; G95-D119 WeakPolarHBondContact O-CB 3.49Å; G95-D119 PolarHBondContact O-N 2.83Å
120	R	98.6	Very high	98.4	Very high	111 Å²	111	39.7 Å²	39.7	42%	0.419	21%	0.212	S	C	.	.	S	Bend	trans	-162.3	166.7	178.8	73.8	-154.3	-176.1	-88.6	-0	110.9	N93 F94 L118	N93-R120 VanDerWaalsContact O-CZ 3.29Å; N93-R120 PolarHBondContact O-NH1 3.01Å; N93-R120 PolarHBondContact O-NH2 3.5Å; F94-R120 HydrophobicContact CD1-CG 3.98Å; F94-R120 HydrophobicContact CE1-CG 4.02Å; L118-R120 WeakPolarHBondContact CB-O 3.42Å; L118-R120 PolarHBondContact O-N 2.76Å
121	P	98.6	Very high	98.4	Very high	62 Å²	62	38.8 Å²	38.8	40%	0.403	21%	0.208	S	C	.	.			trans	-57.8	137.3	171.2	-23.4	31.4	0	0	0	114.3	K59 E60	K59-P121 HydrophobicContact CD-CB 4.22Å; E60-P121 HydrophobicContact CG-CB 3.99Å; E60-P121 HydrophobicContact CG-CG 3.82Å
122	A	98.7	Very high	98.4	Very high	8 Å²	8	45.9 Å²	45.9	7%	0.066	23%	0.233	C	C	.	.			trans	-71.1	140.9	165.1	0	0	0	0	0	111.8	K59 L79 F94 L118 L124 V128	K59-A122 WeakPolarHBondContact O-CB 3.4Å; K59-A122 PolarHBondContact O-N 2.7Å; L79-A122 HydrophobicContact CD1-CB 3.71Å; F94-A122 HydrophobicContact CE1-CB 4.16Å; F94-A122 HydrophobicContact CE2-CB 4.38Å; F94-A122 HydrophobicContact CZ-CB 3.6Å; L118-A122 HydrophobicContact CD1-CB 4.48Å; A122-L124 HydrophobicContact CB-CD2 4.5Å; A122-L124 PolarHBondContact O-N 3.5Å; A122-L124 VanDerWaalsContact O-N 3.14Å; A122-V128 HydrophobicContact CB-CG1 4.27Å
123	V	98.6	Very high	98.4	Very high	99 Å²	99	47.6 Å²	47.6	60%	0.6	24%	0.242	S	C	*	.			trans	-81.1	93.9	176.6	-176.3	0	0	0	0	108.4	Q92 N125	Q92-V123 PolarHBondContact NE2-O 3.1Å; V123-N125 PolarHBondContact O-N 2.96Å
124	L	98.6	Very high	98.3	Very high	72 Å²	72	48 Å²	48	38%	0.377	25%	0.245	S	C	.	.			trans	-63.8	125	179.1	-55.1	-171.2	0	0	0	110.5	L56 A122 V128 P130	L56-L124 HydrophobicContact CD2-CD2 4.25Å; A122-L124 HydrophobicContact CB-CD2 4.5Å; A122-L124 PolarHBondContact O-N 3.5Å; A122-L124 VanDerWaalsContact O-N 3.14Å; L124-V128 CarbonylContact C-O 3.6Å; L124-V128 WeakPolarHBondContact CA-O 3.4Å; L124-V128 HydrophobicContact CD2-CG1 4.17Å; L124-P130 HydrophobicContact CD1-CG 4.5Å
125	N	97.8	Very high	98.1	Very high	57 Å²	57	52.2 Å²	52.2	31%	0.305	27%	0.267	S	S	.	.	S	Bend	trans	-151.3	-158.3	-170.5	67.8	23.9	0	0	0	111.5	V123 Y127 V128 Q129	V123-N125 PolarHBondContact O-N 2.96Å; N125-Y127 PolarHBondContact O-N 2.98Å; N125-Y127 WeakPolarHBondContact OD1-CA 3.1Å; N125-Y127 PolarHBondContact OD1-N 3.02Å; N125-V128 PolarHBondContact N-O 2.85Å; N125-V128 PolarHBondContact OD1-N 2.8Å; N125-Q129 PolarHBondContact O-NE2 2.03Å
126	A	97.3	Very high	97.7	Very high	58 Å²	58	61.8 Å²	61.8	48%	0.479	31%	0.312	S	S	.	.	S	Bend	trans	-64.9	-20.2	178.7	0	0	0	0	0	114.1	K38	K38-A126 WeakPolarHBondContact CD-O 3.43Å; K38-A126 WeakPolarHBondContact CE-O 3.46Å; K38-A126 PolarHBondContact NZ-O 3.03Å
127	Y	97.6	Very high	97.4	Very high	87 Å²	87	68.3 Å²	68.3	34%	0.341	35%	0.346	S	S	.	.	S	Bend	trans	-120.7	-24.2	-168.5	-49	-50.7	0	0	0	113.4	Y35 K38 S80 F90 N125	Y35-Y127 HydrophobicContact CD2-CD1 4.04Å; Y35-Y127 HydrophobicContact CD2-CE1 4.25Å; Y35-Y127 HydrophobicContact CD2-CG 4.41Å; Y35-Y127 HydrophobicContact CG-CD1 4.32Å; Y35-Y127 HydrophobicContact CG-CG 4.44Å; K38-Y127 WeakPolarHBondContact CA-O 3.03Å; K38-Y127 VanDerWaalsContact CB-O 3.28Å; K38-Y127 WeakPolarHBondContact CB-O 3.47Å; S80-Y127 WeakPolarHBondContact OG-CB 3.35Å; F90-Y127 HydrophobicContact CB-CD2 4.42Å; F90-Y127 AromaticContact CD1-CD2 3.7Å; F90-Y127 HydrophobicContact CD1-CD2 3.7Å; F90-Y127 AromaticContact CD1-CE2 3.43Å; F90-Y127 HydrophobicContact CD1-CE2 3.43Å; F90-Y127 VanDerWaalsContact CD1-CE2 3.43Å; F90-Y127 HydrophobicContact CE1-CD2 4.34Å; F90-Y127 AromaticContact CE1-CE2 3.6Å; F90-Y127 HydrophobicContact CE1-CE2 3.6Å; F90-Y127 HydrophobicContact CG-CD2 4.26Å; F90-Y127 HydrophobicContact CG-CE2 4.28Å; N125-Y127 PolarHBondContact O-N 2.98Å; N125-Y127 WeakPolarHBondContact OD1-CA 3.1Å; N125-Y127 PolarHBondContact OD1-N 3.02Å
128	V	98.6	Very high	97.1	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.347	C	S	.	.			trans	-116.2	118.4	174.7	-179.4	0	0	0	0	109.9	K38 L56 L79 A122 L124 N125	K38-V128 WeakPolarHBondContact O-CA 3.47Å; L56-V128 HydrophobicContact CD2-CG1 3.72Å; L79-V128 HydrophobicContact CB-CG1 4.31Å; L79-V128 HydrophobicContact CB-CG2 4.03Å; L79-V128 HydrophobicContact CD1-CG1 3.86Å; A122-V128 HydrophobicContact CB-CG1 4.27Å; L124-V128 CarbonylContact C-O 3.6Å; L124-V128 WeakPolarHBondContact CA-O 3.4Å; L124-V128 HydrophobicContact CD2-CG1 4.17Å; N125-V128 PolarHBondContact N-O 2.85Å; N125-V128 PolarHBondContact OD1-N 2.8Å
129	Q	98.5	Very high	96.7	Very high	75 Å²	75	72.7 Å²	72.7	35%	0.35	38%	0.377	S	S	.	.			trans	-151.9	137.8	176.7	-70.1	-63.1	-34.5	0	0	109.5	K38 Y39 N125	K38-Q129 CarbonylContact C-O 3.59Å; K38-Q129 VanDerWaalsContact C-O 3.28Å; K38-Q129 HydrophobicContact CB-CB 3.88Å; K38-Q129 HydrophobicContact CB-CG 4.45Å; K38-Q129 HydrophobicContact CD-CB 4.23Å; K38-Q129 HydrophobicContact CD-CG 3.99Å; K38-Q129 PolarHBondContact O-N 2.96Å; Y39-Q129 WeakPolarHBondContact CA-O 3.1Å; Y39-Q129 WeakPolarHBondContact CB-O 3.06Å; Y39-Q129 PolarHBondContact N-O 3.34Å; N125-Q129 PolarHBondContact O-NE2 2.03Å
130	P	98.6	Very high	96.3	Very high	43 Å²	43	74.4 Å²	74.4	28%	0.279	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-67.5	150.4	175.5	29.1	-34.8	0	0	0	111.8	L56 V57 L124	L56-P130 HydrophobicContact CD2-CB 4.42Å; L56-P130 HydrophobicContact CG-CB 4.32Å; L56-P130 CarbonylContact O-C 3.52Å; L56-P130 VanDerWaalsContact O-CA 3.29Å; L56-P130 WeakPolarHBondContact O-CA 3.3Å; V57-P130 VanDerWaalsContact C-CB 3.47Å; V57-P130 WeakPolarHBondContact O-CB 3.24Å; L124-P130 HydrophobicContact CD1-CG 4.5Å
131	V	98.5	Very high	95.7	Very high	12 Å²	12	69.9 Å²	69.9	7%	0.073	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-84.5	152.7	169.3	70.3	0	0	0	0	110.5	Y39 T55 L56 V57 V210 F215	Y39-V131 HydrophobicContact CD1-CB 3.74Å; Y39-V131 HydrophobicContact CD1-CG2 4.05Å; Y39-V131 HydrophobicContact CD2-CB 4.28Å; Y39-V131 HydrophobicContact CE1-CB 4.36Å; Y39-V131 HydrophobicContact CE1-CG2 4.17Å; Y39-V131 HydrophobicContact CG-CB 3.68Å; Y39-V131 HydrophobicContact CG-CG1 4.33Å; Y39-V131 HydrophobicContact CG-CG2 4.31Å; T55-V131 HydrophobicContact CG2-CG1 3.45Å; T55-V131 VanDerWaalsContact CG2-CG1 3.45Å; L56-V131 PolarHBondContact O-N 3.29Å; V57-V131 HydrophobicContact CG1-CG1 4.31Å; V131-V210 HydrophobicContact CG2-CG2 4.05Å; V131-F215 HydrophobicContact CB-CB 4.3Å; V131-F215 HydrophobicContact CG1-CB 3.44Å; V131-F215 VanDerWaalsContact CG1-CB 3.44Å; V131-F215 HydrophobicContact CG1-CD1 3.98Å; V131-F215 HydrophobicContact CG1-CG 3.88Å; V131-F215 HydrophobicContact CG2-CB 3.86Å
132	R	97.8	Very high	95.2	Very high	173 Å²	173	76.2 Å²	76.2	65%	0.653	39%	0.386	S	S	*	.	B	Isolated β-bridge	trans	-75.6	134.3	174.2	-54.6	-168.8	-147.8	97.8	1.5	110.7	I214 F215	R132-I214 HydrophobicContact CB-CD1 3.89Å; R132-F215 PolarHBondContact O-N 2.75Å
133	L	98.2	Very high	94.7	Very high	36 Å²	36	78 Å²	78	19%	0.188	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-72.8	157.5	163.1	-71.1	168.5	0	0	0	110.7	V57 F215 V237 V241 I244	V57-L133 HydrophobicContact CB-CG 4.44Å; V57-L133 HydrophobicContact CG1-CD2 4.09Å; V57-L133 HydrophobicContact CG1-CG 4.38Å; L133-F215 HydrophobicContact CD2-CD1 3.96Å; L133-F215 HydrophobicContact CD2-CE1 4.49Å; L133-V237 HydrophobicContact CD2-CG1 3.7Å; L133-V241 HydrophobicContact CB-CG2 4.31Å; L133-I244 HydrophobicContact CD1-CG2 3.81Å; L133-I244 HydrophobicContact CD2-CD1 3.97Å
134	P	96.9	Very high	94.4	Very high	9 Å²	9	74.3 Å²	74.3	6%	0.058	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-64.5	143.5	172	-20.4	33.7	0	0	0	111.9	T138 I214 F215 E216 R238 V241	P134-T138 HydrophobicContact CB-CG2 4.15Å; P134-I214 HydrophobicContact CB-CG2 4.13Å; P134-I214 HydrophobicContact CG-CG2 3.79Å; P134-F215 WeakPolarHBondContact CD-O 3.39Å; P134-F215 VanDerWaalsContact CG-O 3.31Å; P134-F215 WeakPolarHBondContact CG-O 3.47Å; P134-E216 HydrophobicContact CG-CG 4.37Å; P134-R238 HydrophobicContact CB-CB 3.86Å; P134-R238 HydrophobicContact CG-CB 3.88Å; P134-V241 HydrophobicContact CB-CG2 4.42Å; P134-V241 HydrophobicContact CG-CG2 4.38Å
135	D	94.7	Very high	94.1	Very high	88 Å²	88	76 Å²	76	47%	0.471	39%	0.392	S	S	.	.			trans	-122.6	-179.1	175.6	80.1	-23.6	0	0	0	111.8	N137 T138	D135-N137 PolarHBondContact O-N 3.01Å; D135-N137 PolarHBondContact OD1-N 2.03Å; D135-N137 VanDerWaalsContact OD1-N 3.12Å; D135-N137 PolarHBondContact OD2-ND2 3.44Å; D135-T138 PolarHBondContact N-OG1 2.96Å; D135-T138 WeakPolarHBondContact O-CB 3.02Å; D135-T138 PolarHBondContact O-N 2.92Å; D135-T138 VanDerWaalsContact O-N 3.09Å; D135-T138 WeakPolarHBondContact OD1-CB 3.37Å; D135-T138 PolarHBondContact OD1-N 3.09Å; D135-T138 PolarHBondContact OD1-OG1 3.2Å
136	E	90	Very high	93.9	Very high	201 Å²	201	73.4 Å²	73.4	94%	0.939	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.1	178.9	-60.6	-174.3	162.3	0	0	113.6
137	N	92	Very high	93.8	Very high	136 Å²	136	72.7 Å²	72.7	73%	0.727	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-10.6	177.9	-53.9	-76.4	0	0	0	112.7	D135 P139	D135-N137 PolarHBondContact O-N 3.01Å; D135-N137 PolarHBondContact OD1-N 2.03Å; D135-N137 VanDerWaalsContact OD1-N 3.12Å; D135-N137 PolarHBondContact OD2-ND2 3.44Å; N137-P139 WeakPolarHBondContact O-CD 3.28Å
138	T	92.9	Very high	93.6	Very high	22 Å²	22	68.8 Å²	68.8	14%	0.135	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-72.7	119.3	-172.9	-66	0	0	0	0	110.9	P134 D135 I214 E216	P134-T138 HydrophobicContact CB-CG2 4.15Å; D135-T138 PolarHBondContact N-OG1 2.96Å; D135-T138 WeakPolarHBondContact O-CB 3.02Å; D135-T138 PolarHBondContact O-N 2.92Å; D135-T138 VanDerWaalsContact O-N 3.09Å; D135-T138 WeakPolarHBondContact OD1-CB 3.37Å; D135-T138 PolarHBondContact OD1-N 3.09Å; D135-T138 PolarHBondContact OD1-OG1 3.2Å; T138-I214 HydrophobicContact CG2-CG1 4.34Å; T138-I214 HydrophobicContact CG2-CG2 4.17Å; T138-E216 WeakPolarHBondContact CG2-OE1 3.42Å
139	P	90.6	Very high	93.4	Very high	98 Å²	98	68.9 Å²	68.9	64%	0.636	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-57.4	158.3	-175.7	-27.9	36.2	0	0	0	114.8	N137 R238	N137-P139 WeakPolarHBondContact O-CD 3.28Å; P139-R238 PolarHBondContact O-NH2 2.83Å
140	L	88.8	Confident	93.3	Very high	115 Å²	115	65.4 Å²	65.4	60%	0.602	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-72.8	133.3	172.3	-57.4	-175.2	0	0	0	110.7	R142	L140-R142 HydrophobicContact CB-CG 4.47Å; L140-R142 PolarHBondContact O-N 2.87Å
141	L	87.5	Confident	93	Very high	16 Å²	16	63.4 Å²	63.4	8%	0.084	32%	0.324	C	S	.	.			trans	-69.7	14.4	-169.6	-56.5	178.3	0	0	0	116.9	G143 S144 E172 M189 C211 E216	L141-G143 PolarHBondContact O-N 2.86Å; L141-S144 WeakPolarHBondContact CA-OG 3.41Å; L141-S144 VanDerWaalsContact O-CB 3.28Å; L141-S144 WeakPolarHBondContact O-CB 3.31Å; L141-S144 PolarHBondContact O-N 2.9Å; L141-S144 PolarHBondContact O-OG 3.14Å; L141-E172 HydrophobicContact CB-CB 4.39Å; L141-E172 HydrophobicContact CB-CG 3.93Å; L141-E172 WeakPolarHBondContact O-CB 3Å; L141-E172 WeakPolarHBondContact O-CG 3.47Å; L141-M189 HydrophobicContact CD1-CE 3.64Å; L141-M189 HydrophobicContact CD1-SD 3.91Å; L141-C211 HydrophobicContact CD2-CB 3.74Å; L141-E216 HydrophobicContact CD1-CB 3.74Å; L141-E216 HydrophobicContact CD1-CG 3.92Å; L141-E216 HydrophobicContact CD2-CG 3.87Å; L141-E216 HydrophobicContact CG-CG 4.43Å
142	R	87.3	Confident	92.2	Very high	196 Å²	196	62.8 Å²	62.8	74%	0.74	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	105.1	-168.3	-65.4	179.9	179.1	173.8	0.3	112.1	L140 S144 E172	L140-R142 HydrophobicContact CB-CG 4.47Å; L140-R142 PolarHBondContact O-N 2.87Å; R142-S144 PolarHBondContact O-N 3Å; R142-E172 WeakPolarHBondContact CA-OE2 3.45Å
143	G	88	Confident	90.9	Very high	44 Å²	44	54.9 Å²	54.9	45%	0.454	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	22.5	-176.1	0	0	0	0	0	114.9	L141 T171 E172	L141-G143 PolarHBondContact O-N 2.86Å; G143-T171 WeakPolarHBondContact O-CG2 3.49Å; G143-E172 PolarHBondContact N-OE2 2.88Å
144	S	92.1	Very high	89	Confident	23 Å²	23	54.1 Å²	54.1	16%	0.161	29%	0.289	C	S	.	.			trans	-67	146.9	177.9	-70.8	0	0	0	0	111.5	L141 R142 T171 E172	L141-S144 WeakPolarHBondContact CA-OG 3.41Å; L141-S144 VanDerWaalsContact O-CB 3.28Å; L141-S144 WeakPolarHBondContact O-CB 3.31Å; L141-S144 PolarHBondContact O-N 2.9Å; L141-S144 PolarHBondContact O-OG 3.14Å; R142-S144 PolarHBondContact O-N 3Å; S144-T171 WeakPolarHBondContact O-CA 3.43Å; S144-E172 PolarHBondContact O-N 3.19Å
145	I	92.1	Very high	87.1	Confident	108 Å²	108	58.9 Å²	58.9	55%	0.554	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	132.4	168.2	-58.4	175.8	0	0	0	108.1	D169	I145-D169 HydrophobicContact CG2-CB 4.12Å
146	C	94.2	Very high	85.4	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.007	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	141	179.3	-50.3	0	0	0	0	109.1	D169 V170 L209 V210 C211	C146-D169 WeakPolarHBondContact O-CA 3.35Å; C146-V170 HydrophobicContact CB-CG2 4.42Å; C146-V170 PolarHBondContact N-O 3.12Å; C146-V170 VanDerWaalsContact O-CG2 3.29Å; C146-V170 WeakPolarHBondContact O-CG2 3.06Å; C146-V170 PolarHBondContact O-N 2.88Å; C146-V170 VanDerWaalsContact O-O 3.07Å; C146-L209 HydrophobicContact CB-CD1 3.58Å; C146-L209 HydrophobicContact CB-CD2 4.46Å; C146-L209 HydrophobicContact CB-CG 3.91Å; C146-V210 CarbonylContact C-O 3.49Å; C146-V210 VanDerWaalsContact CA-O 3.28Å; C146-V210 WeakPolarHBondContact CA-O 3.47Å; C146-C211 HydrophobicContact CB-CB 3.95Å; C146-C211 WeakPolarHBondContact CB-SG 3.29Å; C146-C211 WeakPolarHBondContact SG-CB 3.42Å; C146-C211 CovalentContact SG-SG 2.03Å; C146-C211 PolarHBondContact SG-SG 2.73Å
147	T	94.5	Very high	84.1	Confident	44 Å²	44	58.4 Å²	58.4	27%	0.27	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131.2	173.3	-50.1	0	0	0	0	108.6	A167 D169 V210	T147-A167 HydrophobicContact CG2-CB 3.78Å; T147-D169 PolarHBondContact OG1-OD1 3.12Å; T147-V210 PolarHBondContact N-O 3.26Å; T147-V210 PolarHBondContact O-N 2.77Å
148	V	94.3	Very high	82.9	Confident	4 Å²	4	53.1 Å²	53.1	2%	0.024	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	140.5	167.7	60.7	0	0	0	0	109.4	A167 V168 V170 P208 L209 V219 Y234	V148-A167 VanDerWaalsContact O-CA 3.28Å; V148-A167 WeakPolarHBondContact O-CA 3.35Å; V148-V168 HydrophobicContact CG1-CG1 3.52Å; V148-V168 PolarHBondContact N-O 3.26Å; V148-V168 PolarHBondContact O-N 3.12Å; V148-V170 HydrophobicContact CG1-CG1 4.47Å; V148-V170 HydrophobicContact CG1-CG2 4.29Å; V148-P208 WeakPolarHBondContact CA-O 3.28Å; V148-P208 WeakPolarHBondContact CG2-O 3.47Å; V148-L209 HydrophobicContact CB-CD1 3.92Å; V148-V219 HydrophobicContact CG2-CG2 3.64Å; V148-Y234 HydrophobicContact CG2-CE1 4.05Å
149	S	95.1	Very high	81.8	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.014	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	145.8	-175.7	53	0	0	0	0	114.7	I37 Q40 R166 P208	I37-S149 VanDerWaalsContact CD1-CB 3.43Å; Q40-S149 PolarHBondContact NE2-O 3.23Å; Q40-S149 PolarHBondContact OE1-O 3.4Å; Q40-S149 PolarHBondContact OE1-OG 2.82Å; S149-R166 WeakPolarHBondContact CA-O 3.46Å; S149-R166 VanDerWaalsContact CB-O 3.32Å; S149-R166 WeakPolarHBondContact CB-O 3.47Å; S149-P208 PolarHBondContact N-O 3.12Å
150	G	94.8	Very high	81.2	Confident	2 Å²	2	61 Å²	61	2%	0.021	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.7	-168.1	-177.4	0	0	0	0	0	113	R166 D204	G150-R166 PolarHBondContact N-O 3Å; G150-R166 PolarHBondContact O-N 2.85Å; G150-D204 VanDerWaalsContact C-OD1 3.31Å; G150-D204 VanDerWaalsContact CA-OD1 3.29Å; G150-D204 WeakPolarHBondContact CA-OD1 3.26Å
151	W	93.4	Very high	81	Confident	1 Å²	1	58.2 Å²	58.2	0%	0.004	29%	0.289	C	S	.	.			trans	-110.5	16.1	-177.9	-63.4	-91.7	0	0	0	112.3	Q40 H50 E81 H82 L84 L161 S162 V164 L165 D204	Q40-W151 HydrophobicContact CG-CH2 3.45Å; Q40-W151 VanDerWaalsContact CG-CH2 3.45Å; Q40-W151 HydrophobicContact CG-CZ2 4.4Å; Q40-W151 HydrophobicContact CG-CZ3 3.64Å; H50-W151 AromaticContact CE1-CE3 3.51Å; H50-W151 AromaticContact ND1-CE3 4Å; E81-W151 HydrophobicContact CB-CH2 4.07Å; E81-W151 HydrophobicContact CB-CZ2 3.84Å; E81-W151 HydrophobicContact CG-CH2 3.9Å; E81-W151 HydrophobicContact CG-CZ2 3.38Å; H82-W151 PolarHBondContact O-NE1 2.7Å; L84-W151 HydrophobicContact CD1-CB 3.54Å; L84-W151 HydrophobicContact CD1-CD2 4.13Å; L84-W151 HydrophobicContact CD1-CG 3.45Å; L84-W151 VanDerWaalsContact CD1-CG 3.45Å; L84-W151 HydrophobicContact CD2-CD2 4.34Å; L84-W151 HydrophobicContact CD2-CG 4.44Å; L84-W151 HydrophobicContact CG-CB 4.49Å; L84-W151 HydrophobicContact CG-CD2 4.27Å; L84-W151 HydrophobicContact CG-CG 3.88Å; W151-L161 CarbonylContact O-C 3.53Å; W151-L161 WeakPolarHBondContact O-CA 3.5Å; W151-L161 WeakPolarHBondContact O-CB 3.27Å; W151-L161 WeakPolarHBondContact O-CD2 3.14Å; W151-S162 PolarHBondContact O-N 3.3Å; W151-V164 VanDerWaalsContact CD1-C 3.42Å; W151-L165 HydrophobicContact CD2-CD1 4.06Å; W151-L165 HydrophobicContact CE3-CD1 4.26Å; W151-L165 HydrophobicContact CH2-CD1 4.03Å; W151-L165 HydrophobicContact CH2-CD2 4.5Å; W151-L165 HydrophobicContact CZ2-CB 3.87Å; W151-L165 HydrophobicContact CZ2-CD1 3.79Å; W151-L165 HydrophobicContact CZ2-CD2 4.13Å; W151-L165 HydrophobicContact CZ2-CG 4.13Å; W151-L165 HydrophobicContact CZ3-CD1 4.26Å; W151-D204 PolarHBondContact N-OD1 2.69Å
152	G	81.1	Confident	81.1	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.287	C	S	.	.			trans	-58.4	168.6	-173.4	0	0	0	0	0	115.7	I26 T154 S162 Q202 D204	I26-G152 VanDerWaalsContact CD1-O 3.27Å; I26-G152 WeakPolarHBondContact CD1-O 3.43Å; G152-T154 PolarHBondContact O-N 2.93Å; G152-S162 PolarHBondContact O-N 2.98Å; G152-Q202 CarbonylContact C-O 3.5Å; G152-Q202 WeakPolarHBondContact CA-O 3.5Å; G152-D204 WeakPolarHBondContact CA-OD1 3.4Å; G152-D204 PolarHBondContact N-OD1 3.2Å
153	V	71.3	Confident	81.3	Confident	7 Å²	7	50.2 Å²	50.2	4%	0.042	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-63.3	131.6	-174.3	-57.9	0	0	0	0	111.2	Q155 S158 L161 C201 Q202	V153-Q155 VanDerWaalsContact C-N 3.28Å; V153-Q155 PolarHBondContact O-N 2.97Å; V153-S158 VanDerWaalsContact CB-O 3.3Å; V153-S158 WeakPolarHBondContact CB-O 3.28Å; V153-S158 WeakPolarHBondContact CG1-O 3.4Å; V153-S158 WeakPolarHBondContact CG2-O 3.5Å; V153-L161 HydrophobicContact CG1-CD2 4.1Å; V153-C201 HydrophobicContact CG2-CB 4.02Å; V153-C201 WeakPolarHBondContact CG2-SG 3.33Å; V153-Q202 HydrophobicContact CG1-CB 4.17Å; V153-Q202 HydrophobicContact CG2-CB 3.83Å; V153-Q202 HydrophobicContact CG2-CG 4.4Å; V153-Q202 PolarHBondContact N-O 3.07Å
154	T	57.6	Low	81.6	Confident	19 Å²	19	49 Å²	49	12%	0.117	25%	0.248	C	C	.	.	S	Bend	trans	-85	-2	-162.2	66.5	0	0	0	0	114.4	R25 G152	R25-T154 VanDerWaalsContact C-CB 3.43Å; R25-T154 WeakPolarHBondContact O-CB 3.29Å; R25-T154 VanDerWaalsContact O-CG2 3.31Å; R25-T154 WeakPolarHBondContact O-CG2 3.45Å; G152-T154 PolarHBondContact O-N 2.93Å
155	Q	57	Low	81.8	Confident	109 Å²	109	48 Å²	48	51%	0.509	24%	0.24	S	C	.	.	S	Bend	trans	-151.1	148.1	-179.8	-60.4	177.2	-23.6	0	0	108.9	V153 Y157 S158	V153-Q155 VanDerWaalsContact C-N 3.28Å; V153-Q155 PolarHBondContact O-N 2.97Å; Q155-Y157 PolarHBondContact O-N 3.25Å; Q155-S158 WeakPolarHBondContact O-CB 3.23Å; Q155-S158 PolarHBondContact O-N 3.47Å
156	V	58.2	Low	81.9	Confident	65 Å²	65	43.9 Å²	43.9	39%	0.394	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-28.9	-174.6	-175.6	0	0	0	0	114.3	I27	I27-V156 HydrophobicContact CD1-CG2 3.68Å
157	Y	63.2	Low	81.8	Confident	215 Å²	215	44.4 Å²	44.4	84%	0.843	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.7	13.9	-178.6	-50.5	-63.8	0	0	0	113.5	Q155	Q155-Y157 PolarHBondContact O-N 3.25Å
158	S	67.1	Low	81.6	Confident	25 Å²	25	42.5 Å²	42.5	18%	0.175	21%	0.211	C	C	.	.			trans	-86.7	138.3	174.5	179.6	0	0	0	0	110.6	V153 Q155 A160	V153-S158 VanDerWaalsContact CB-O 3.3Å; V153-S158 WeakPolarHBondContact CB-O 3.28Å; V153-S158 WeakPolarHBondContact CG1-O 3.4Å; V153-S158 WeakPolarHBondContact CG2-O 3.5Å; Q155-S158 WeakPolarHBondContact O-CB 3.23Å; Q155-S158 PolarHBondContact O-N 3.47Å; S158-A160 PolarHBondContact OG-N 2.84Å; S158-A160 PolarHBondContact OG-O 2.99Å
159	Y	69.3	Low	81.4	Confident	226 Å²	226	46.2 Å²	46.2	89%	0.886	23%	0.23	S	C	*	.			trans	-96.2	-6.8	163.2	-57.2	-75.8	0	0	0	112.2
160	A	78.1	Confident	81.2	Confident	59 Å²	59	46.2 Å²	46.2	49%	0.488	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-84.5	119.3	175.9	0	0	0	0	0	110.6	S158	S158-A160 PolarHBondContact OG-N 2.84Å; S158-A160 PolarHBondContact OG-O 2.99Å
161	L	84.1	Confident	81.1	Confident	56 Å²	56	48.4 Å²	48.4	29%	0.293	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-59.7	159.6	166.3	-64.7	178.4	0	0	0	111.4	W151 V153	W151-L161 CarbonylContact O-C 3.53Å; W151-L161 WeakPolarHBondContact O-CA 3.5Å; W151-L161 WeakPolarHBondContact O-CB 3.27Å; W151-L161 WeakPolarHBondContact O-CD2 3.14Å; V153-L161 HydrophobicContact CG1-CD2 4.1Å
162	S	89.6	Confident	81.1	Confident	4 Å²	4	49.7 Å²	49.7	3%	0.028	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-69	135.7	163.9	-146.2	0	0	0	0	110.1	W151 G152 V164 R166	W151-S162 PolarHBondContact O-N 3.3Å; G152-S162 PolarHBondContact O-N 2.98Å; S162-V164 WeakPolarHBondContact CB-O 3.49Å; S162-V164 PolarHBondContact OG-O 2.8Å; S162-R166 WeakPolarHBondContact OG-CD 3.44Å
163	P	92.4	Very high	81.6	Confident	40 Å²	40	50.9 Å²	50.9	26%	0.26	26%	0.255	S	S	.	.	S	Bend	trans	-68.7	-41.5	170.8	27.3	-31.4	0	0	0	111.1	N83 L84 R85	N83-P163 CarbonylContact C-O 3.58Å; N83-P163 WeakPolarHBondContact CA-O 3.31Å; L84-P163 PolarHBondContact N-O 2.83Å; R85-P163 HydrophobicContact CG-CB 4.21Å
164	V	94.9	Very high	82.3	Confident	19 Å²	19	53.4 Å²	53.4	12%	0.115	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-95.3	152	-176.8	-67	0	0	0	0	111.7	E31 H82 N83 W151 S162 R166	E31-V164 HydrophobicContact CB-CG2 4.44Å; E31-V164 HydrophobicContact CG-CB 4.06Å; E31-V164 HydrophobicContact CG-CG2 3.78Å; H82-V164 CarbonylContact O-C 3.32Å; H82-V164 VanDerWaalsContact O-CA 3.27Å; H82-V164 WeakPolarHBondContact O-CA 3.47Å; N83-V164 HydrophobicContact CB-CG1 4.32Å; W151-V164 VanDerWaalsContact CD1-C 3.42Å; S162-V164 WeakPolarHBondContact CB-O 3.49Å; S162-V164 PolarHBondContact OG-O 2.8Å; V164-R166 HydrophobicContact CG2-CG 4.33Å; V164-R166 WeakPolarHBondContact O-CG 3.48Å
165	L	95.1	Very high	83.6	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	30%	0.3	C	S	.	.			trans	-67.6	136	175.5	179.8	57.8	0	0	0	110.3	V32 I37 Q40 H82 W151	V32-L165 HydrophobicContact CG2-CB 3.91Å; V32-L165 HydrophobicContact CG2-CD2 3.91Å; V32-L165 HydrophobicContact CG2-CG 3.73Å; V32-L165 PolarHBondContact N-O 2.84Å; I37-L165 HydrophobicContact CB-CD2 4.32Å; Q40-L165 HydrophobicContact CB-CD2 4.19Å; Q40-L165 HydrophobicContact CG-CD1 3.88Å; Q40-L165 HydrophobicContact CG-CD2 4Å; H82-L165 PolarHBondContact O-N 2.85Å; W151-L165 HydrophobicContact CD2-CD1 4.06Å; W151-L165 HydrophobicContact CE3-CD1 4.26Å; W151-L165 HydrophobicContact CH2-CD1 4.03Å; W151-L165 HydrophobicContact CH2-CD2 4.5Å; W151-L165 HydrophobicContact CZ2-CB 3.87Å; W151-L165 HydrophobicContact CZ2-CD1 3.79Å; W151-L165 HydrophobicContact CZ2-CD2 4.13Å; W151-L165 HydrophobicContact CZ2-CG 4.13Å; W151-L165 HydrophobicContact CZ3-CD1 4.26Å
166	R	93.9	Very high	84.9	Confident	23 Å²	23	53.8 Å²	53.8	9%	0.087	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	159.4	-178.1	-57.1	-164.5	71.3	106.6	-12.8	111.6	D23 R25 I26 G29 Q30 E31 S149 G150 S162 V164	D23-R166 PolarHBondContact O-NH2 3.01Å; R25-R166 WeakPolarHBondContact O-CD 3.3Å; R25-R166 VanDerWaalsContact O-CZ 3.24Å; R25-R166 PolarHBondContact O-NE 2.57Å; I26-R166 HydrophobicContact CB-CB 4.05Å; I26-R166 HydrophobicContact CG1-CB 3.75Å; I26-R166 HydrophobicContact CG1-CG 4.44Å; G29-R166 PolarHBondContact O-NE 3.01Å; G29-R166 PolarHBondContact O-NH2 3.1Å; Q30-R166 VanDerWaalsContact O-CA 3.25Å; Q30-R166 WeakPolarHBondContact O-CA 3.39Å; Q30-R166 VanDerWaalsContact O-CB 3.31Å; Q30-R166 WeakPolarHBondContact O-CB 3.36Å; E31-R166 VanDerWaalsContact N-CZ 3.32Å; S149-R166 WeakPolarHBondContact CA-O 3.46Å; S149-R166 VanDerWaalsContact CB-O 3.32Å; S149-R166 WeakPolarHBondContact CB-O 3.47Å; G150-R166 PolarHBondContact N-O 3Å; G150-R166 PolarHBondContact O-N 2.85Å; S162-R166 WeakPolarHBondContact OG-CD 3.44Å; V164-R166 HydrophobicContact CG2-CG 4.33Å; V164-R166 WeakPolarHBondContact O-CG 3.48Å
167	A	92.8	Very high	86.3	Confident	12 Å²	12	56.9 Å²	56.9	10%	0.099	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	150.8	177.1	0	0	0	0	0	112	G29 Q30 V32 I37 T147 V148	G29-A167 CarbonylContact C-O 3.24Å; G29-A167 VanDerWaalsContact CA-O 3.23Å; G29-A167 WeakPolarHBondContact CA-O 3.34Å; Q30-A167 PolarHBondContact N-O 3.27Å; Q30-A167 PolarHBondContact O-N 3.36Å; V32-A167 HydrophobicContact CG1-CB 3.55Å; I37-A167 HydrophobicContact CD1-CB 4.01Å; T147-A167 HydrophobicContact CG2-CB 3.78Å; V148-A167 VanDerWaalsContact O-CA 3.28Å; V148-A167 WeakPolarHBondContact O-CA 3.35Å
168	V	89.5	Confident	87.4	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.024	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	136.7	172	67.1	0	0	0	0	111.1	I26 V148 V170 K198	I26-V168 HydrophobicContact CG2-CB 4.24Å; I26-V168 HydrophobicContact CG2-CG1 4.01Å; V148-V168 HydrophobicContact CG1-CG1 3.52Å; V148-V168 PolarHBondContact N-O 3.26Å; V148-V168 PolarHBondContact O-N 3.12Å; V168-V170 HydrophobicContact CG1-CG1 4.34Å; V168-K198 HydrophobicContact CG2-CB 3.73Å; V168-K198 HydrophobicContact CG2-CD 3.67Å; V168-K198 HydrophobicContact CG2-CG 3.65Å
169	D	90.9	Very high	88.2	Confident	81 Å²	81	57.9 Å²	57.9	43%	0.433	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	125.7	171.7	-59.8	-41.7	0	0	0	110.7	I145 C146 T147 K198	I145-D169 HydrophobicContact CG2-CB 4.12Å; C146-D169 WeakPolarHBondContact O-CA 3.35Å; T147-D169 PolarHBondContact OG1-OD1 3.12Å; D169-K198 WeakPolarHBondContact O-CD 3.21Å
170	V	90.9	Very high	89.1	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	164.7	176.9	-71.2	0	0	0	0	109.8	C146 V148 V168 A191 K198 L209	C146-V170 HydrophobicContact CB-CG2 4.42Å; C146-V170 PolarHBondContact N-O 3.12Å; C146-V170 VanDerWaalsContact O-CG2 3.29Å; C146-V170 WeakPolarHBondContact O-CG2 3.06Å; C146-V170 PolarHBondContact O-N 2.88Å; C146-V170 VanDerWaalsContact O-O 3.07Å; V148-V170 HydrophobicContact CG1-CG1 4.47Å; V148-V170 HydrophobicContact CG1-CG2 4.29Å; V168-V170 HydrophobicContact CG1-CG1 4.34Å; V170-A191 HydrophobicContact CB-CB 4.21Å; V170-A191 HydrophobicContact CG2-CB 3.7Å; V170-K198 HydrophobicContact CG1-CB 4.46Å; V170-L209 HydrophobicContact CG2-CD1 3.66Å
171	T	92.1	Very high	89.6	Confident	47 Å²	47	53.6 Å²	53.6	29%	0.288	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	141.6	176.6	-50.3	0	0	0	0	109.9	G143 S144 I173 A191 G192	G143-T171 WeakPolarHBondContact O-CG2 3.49Å; S144-T171 WeakPolarHBondContact O-CA 3.43Å; T171-I173 PolarHBondContact O-N 2.61Å; T171-A191 CarbonylContact O-C 3.46Å; T171-A191 WeakPolarHBondContact O-CA 3.27Å; T171-A191 WeakPolarHBondContact O-CB 3.35Å; T171-G192 PolarHBondContact N-O 2.88Å; T171-G192 PolarHBondContact O-N 3.24Å
172	E	93.6	Very high	89.8	Confident	29 Å²	29	52 Å²	52	14%	0.136	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	132.9	168.9	-172.5	-89.3	166	0	0	111	L141 R142 G143 S144 S174 M189	L141-E172 HydrophobicContact CB-CB 4.39Å; L141-E172 HydrophobicContact CB-CG 3.93Å; L141-E172 WeakPolarHBondContact O-CB 3Å; L141-E172 WeakPolarHBondContact O-CG 3.47Å; R142-E172 WeakPolarHBondContact CA-OE2 3.45Å; G143-E172 PolarHBondContact N-OE2 2.88Å; S144-E172 PolarHBondContact O-N 3.19Å; E172-S174 VanDerWaalsContact CD-N 3.3Å; E172-S174 WeakPolarHBondContact OE1-CA 3.5Å; E172-S174 PolarHBondContact OE1-N 3.01Å; E172-S174 PolarHBondContact OE1-OG 2.91Å; E172-S174 PolarHBondContact OE2-N 3.03Å; E172-S174 VanDerWaalsContact OE2-N 3.13Å; E172-S174 PolarHBondContact OE2-OG 3.28Å; E172-M189 HydrophobicContact CG-CE 4.24Å
173	I	90.9	Very high	89.7	Confident	24 Å²	24	57.8 Å²	57.8	12%	0.123	27%	0.272	C	S	.	.			trans	-111.8	86.9	179.8	-64.7	168.6	0	0	0	108.9	T171 C176 Y179 C190 P231	T171-I173 PolarHBondContact O-N 2.61Å; I173-C176 WeakPolarHBondContact O-CB 3.4Å; I173-C176 PolarHBondContact O-N 2.66Å; I173-Y179 HydrophobicContact CG2-CD2 4.41Å; I173-Y179 HydrophobicContact CG2-CE2 3.83Å; I173-C190 HydrophobicContact CB-CB 4.49Å; I173-C190 PolarHBondContact N-O 2.82Å; I173-P231 HydrophobicContact CD1-CB 3.51Å; I173-P231 HydrophobicContact CD1-CG 3.81Å; I173-P231 HydrophobicContact CG2-CG 4.5Å
174	S	87.6	Confident	89.8	Confident	60 Å²	60	56.8 Å²	56.8	42%	0.42	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	146.1	166.9	-75.6	0	0	0	0	111.1	E172 C176	E172-S174 VanDerWaalsContact CD-N 3.3Å; E172-S174 WeakPolarHBondContact OE1-CA 3.5Å; E172-S174 PolarHBondContact OE1-N 3.01Å; E172-S174 PolarHBondContact OE1-OG 2.91Å; E172-S174 PolarHBondContact OE2-N 3.03Å; E172-S174 VanDerWaalsContact OE2-N 3.13Å; E172-S174 PolarHBondContact OE2-OG 3.28Å; S174-C176 VanDerWaalsContact C-N 3.29Å; S174-C176 PolarHBondContact O-N 3.49Å
175	L	83.8	Confident	89.8	Confident	130 Å²	130	58 Å²	58	68%	0.681	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	22.6	-177	-52.2	175.8	0	0	0	115.7	Y177 Y178	L175-Y177 PolarHBondContact O-N 2.93Å; L175-Y178 HydrophobicContact CB-CD2 3.98Å; L175-Y178 HydrophobicContact CB-CE2 4.13Å; L175-Y178 HydrophobicContact CD1-CE2 4.46Å; L175-Y178 WeakPolarHBondContact O-CD2 3.49Å; L175-Y178 PolarHBondContact O-N 2.03Å; L175-Y178 VanDerWaalsContact O-N 3.17Å
176	C	85	Confident	89.8	Confident	7 Å²	7	65.7 Å²	65.7	5%	0.047	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-49.6	-24.7	178.7	-172.3	0	0	0	0	115.8	I173 S174 Y178 Y179 I184 C190	I173-C176 WeakPolarHBondContact O-CB 3.4Å; I173-C176 PolarHBondContact O-N 2.66Å; S174-C176 VanDerWaalsContact C-N 3.29Å; S174-C176 PolarHBondContact O-N 3.49Å; C176-Y178 PolarHBondContact O-N 2.91Å; C176-Y179 PolarHBondContact O-N 3.21Å; C176-I184 HydrophobicContact CB-CG1 4.45Å; C176-C190 HydrophobicContact CB-CB 3.54Å; C176-C190 WeakPolarHBondContact CB-SG 3.29Å; C176-C190 WeakPolarHBondContact SG-CB 3.37Å; C176-C190 CovalentContact SG-SG 2.02Å; C176-C190 PolarHBondContact SG-SG 3.4Å
177	Y	86.8	Confident	89.9	Confident	129 Å²	129	66 Å²	66	51%	0.506	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-40.4	-40.9	171.2	-178.8	-85.9	0	0	0	113.9	L175 W181 G182	L175-Y177 PolarHBondContact O-N 2.93Å; Y177-W181 PolarHBondContact O-N 2.79Å; Y177-G182 WeakPolarHBondContact CE2-O 3.21Å; Y177-G182 PolarHBondContact O-N 3.13Å
178	Y	86.6	Confident	90.1	Very high	164 Å²	164	65.7 Å²	65.7	64%	0.643	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-70.7	-33.4	-179.4	-63.8	-67.1	0	0	0	114.2	L175 C176 Y180	L175-Y178 HydrophobicContact CB-CD2 3.98Å; L175-Y178 HydrophobicContact CB-CE2 4.13Å; L175-Y178 HydrophobicContact CD1-CE2 4.46Å; L175-Y178 WeakPolarHBondContact O-CD2 3.49Å; L175-Y178 PolarHBondContact O-N 2.03Å; L175-Y178 VanDerWaalsContact O-N 3.17Å; C176-Y178 PolarHBondContact O-N 2.91Å; Y178-Y180 PolarHBondContact O-N 2.77Å
179	Y	84.4	Confident	90.3	Very high	97 Å²	97	66 Å²	66	38%	0.38	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-23.7	179.9	-69.2	-98.3	0	0	0	112.5	I173 C176 Y229 F230	I173-Y179 HydrophobicContact CG2-CD2 4.41Å; I173-Y179 HydrophobicContact CG2-CE2 3.83Å; C176-Y179 PolarHBondContact O-N 3.21Å; Y179-Y229 WeakPolarHBondContact CD1-O 3.42Å; Y179-F230 WeakPolarHBondContact O-CE1 3.45Å
180	Y	87.7	Confident	90.5	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	26.1	-177	-71.4	-86.7	0	0	0	113.4	Y178 G182 R183 I184 W221 I223 F230 P231 V233	Y178-Y180 PolarHBondContact O-N 2.77Å; Y180-G182 PolarHBondContact O-N 2.94Å; Y180-G182 VanDerWaalsContact O-N 3.1Å; Y180-R183 WeakPolarHBondContact O-CB 3.46Å; Y180-R183 WeakPolarHBondContact O-CG 3.44Å; Y180-R183 PolarHBondContact O-N 3.09Å; Y180-R183 VanDerWaalsContact O-N 3.07Å; Y180-I184 HydrophobicContact CD2-CD1 3.72Å; Y180-I184 HydrophobicContact CD2-CG1 4.07Å; Y180-I184 HydrophobicContact CE2-CD1 4.44Å; Y180-I184 HydrophobicContact CG-CD1 3.88Å; Y180-I184 HydrophobicContact CG-CG1 4.31Å; Y180-W221 AromaticContact CD1-CH2 3.56Å; Y180-W221 HydrophobicContact CD1-CH2 3.56Å; Y180-W221 AromaticContact CD1-CZ3 3.56Å; Y180-W221 HydrophobicContact CD1-CZ3 3.56Å; Y180-W221 HydrophobicContact CE1-CE3 4.4Å; Y180-W221 AromaticContact CE1-CH2 3.93Å; Y180-W221 HydrophobicContact CE1-CH2 3.93Å; Y180-W221 AromaticContact CE1-CZ3 3.52Å; Y180-W221 HydrophobicContact CE1-CZ3 3.52Å; Y180-W221 HydrophobicContact CG-CH2 4.08Å; Y180-W221 HydrophobicContact CG-CZ3 4.48Å; Y180-I223 HydrophobicContact CD1-CD1 3.74Å; Y180-I223 HydrophobicContact CD1-CG1 4.36Å; Y180-I223 HydrophobicContact CE1-CB 4.3Å; Y180-I223 HydrophobicContact CE1-CD1 3.65Å; Y180-I223 HydrophobicContact CE1-CG1 3.86Å; Y180-F230 HydrophobicContact CD1-CD1 4.37Å; Y180-F230 HydrophobicContact CE1-CB 4.4Å; Y180-F230 HydrophobicContact CE1-CD1 4.02Å; Y180-F230 WeakPolarHBondContact OH-CA 3.22Å; Y180-F230 PolarHBondContact OH-O 3.35Å; Y180-P231 HydrophobicContact CE2-CG 4.46Å; Y180-P231 PolarHBondContact OH-O 3.39Å; Y180-V233 HydrophobicContact CD2-CG2 4.3Å; Y180-V233 HydrophobicContact CE1-CG2 4.23Å; Y180-V233 HydrophobicContact CE2-CG2 3.7Å
181	W	89.3	Confident	90.5	Very high	195 Å²	195	62 Å²	62	74%	0.739	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	39	178.4	-52	-78.8	0	0	0	113.9	Y177 I223 F230	Y177-W181 PolarHBondContact O-N 2.79Å; W181-I223 HydrophobicContact CZ3-CD1 4.23Å; W181-F230 AromaticContact CH2-CE1 3.64Å; W181-F230 HydrophobicContact CH2-CE1 3.64Å; W181-F230 AromaticContact CH2-CZ 3.62Å; W181-F230 HydrophobicContact CH2-CZ 3.62Å; W181-F230 HydrophobicContact CZ2-CE1 4.39Å; W181-F230 HydrophobicContact CZ2-CZ 4.35Å; W181-F230 AromaticContact CZ3-CE1 3.87Å; W181-F230 HydrophobicContact CZ3-CE1 3.87Å; W181-F230 HydrophobicContact CZ3-CZ 4.25Å
182	G	87.3	Confident	90.3	Very high	23 Å²	23	59.8 Å²	59.8	24%	0.237	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	12.2	176.9	0	0	0	0	0	116.9	Y177 Y180 I184	Y177-G182 WeakPolarHBondContact CE2-O 3.21Å; Y177-G182 PolarHBondContact O-N 3.13Å; Y180-G182 PolarHBondContact O-N 2.94Å; Y180-G182 VanDerWaalsContact O-N 3.1Å; G182-I184 VanDerWaalsContact C-N 3.34Å
183	R	88.8	Confident	89.8	Confident	126 Å²	126	59.4 Å²	59.4	48%	0.475	28%	0.275	S	S	.	.			trans	-78.3	-10.6	177.5	-66.8	175.7	59	-171.5	-5.3	115.1	Y180 W221	Y180-R183 WeakPolarHBondContact O-CB 3.46Å; Y180-R183 WeakPolarHBondContact O-CG 3.44Å; Y180-R183 PolarHBondContact O-N 3.09Å; Y180-R183 VanDerWaalsContact O-N 3.07Å; R183-W221 HydrophobicContact CB-CH2 4.48Å
184	I	93.7	Very high	88.8	Confident	18 Å²	18	62.2 Å²	62.2	9%	0.092	30%	0.295	C	S	.	.			trans	-81.2	125.7	180	-53.3	-54.1	0	0	0	109.7	C176 Y180 G182 M188 W221 V233	C176-I184 HydrophobicContact CB-CG1 4.45Å; Y180-I184 HydrophobicContact CD2-CD1 3.72Å; Y180-I184 HydrophobicContact CD2-CG1 4.07Å; Y180-I184 HydrophobicContact CE2-CD1 4.44Å; Y180-I184 HydrophobicContact CG-CD1 3.88Å; Y180-I184 HydrophobicContact CG-CG1 4.31Å; G182-I184 VanDerWaalsContact C-N 3.34Å; I184-M188 HydrophobicContact CD1-SD 4.32Å; I184-M188 HydrophobicContact CG2-CB 3.69Å; I184-M188 HydrophobicContact CG2-SD 4.44Å; I184-W221 HydrophobicContact CD1-CH2 4.08Å; I184-W221 HydrophobicContact CD1-CZ2 3.83Å; I184-V233 HydrophobicContact CD1-CG1 3.87Å; I184-V233 HydrophobicContact CD1-CG2 3.9Å
185	T	94.9	Very high	88.1	Confident	46 Å²	46	69.6 Å²	69.6	28%	0.282	32%	0.315	S	S	.	.			trans	-90	168.4	175.2	66.4	0	0	0	0	111.7	N110 N187 M188	N110-T185 HydrophobicContact CB-CG2 4.21Å; N110-T185 WeakPolarHBondContact OD1-CB 3.48Å; N110-T185 WeakPolarHBondContact OD1-CG2 3.36Å; N110-T185 PolarHBondContact OD1-OG1 3.16Å; T185-N187 PolarHBondContact O-N 3.48Å; T185-N187 PolarHBondContact OG1-N 3.14Å; T185-M188 HydrophobicContact CG2-CE 4.31Å; T185-M188 PolarHBondContact O-N 2.88Å
186	E	94.8	Very high	87.4	Confident	161 Å²	161	63.9 Å²	63.9	75%	0.752	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.8	173.9	68.6	-165.8	154	0	0	113.5	M188 K236 N239	E186-M188 VanDerWaalsContact C-N 3.29Å; E186-M188 PolarHBondContact O-N 3.04Å; E186-K236 PolarHBondContact O-NZ 2.02Å; E186-N239 PolarHBondContact O-ND2 2.95Å
187	N	96.6	Very high	86.4	Confident	31 Å²	31	65.5 Å²	65.5	17%	0.166	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-1.2	176.7	-72.5	-12.3	0	0	0	114.1	N111 T185 K236 N239 Y240	N111-N187 PolarHBondContact OD1-ND2 2.81Å; T185-N187 PolarHBondContact O-N 3.48Å; T185-N187 PolarHBondContact OG1-N 3.14Å; N187-K236 WeakPolarHBondContact O-CB 3.46Å; N187-K236 PolarHBondContact O-N 3.25Å; N187-N239 PolarHBondContact OD1-ND2 3.3Å; N187-Y240 HydrophobicContact CB-CE2 4.26Å; N187-Y240 VanDerWaalsContact CB-OH 3.23Å; N187-Y240 WeakPolarHBondContact CB-OH 3.32Å; N187-Y240 VanDerWaalsContact CG-OH 3.25Å; N187-Y240 PolarHBondContact ND2-OH 2.82Å; N187-Y240 VanDerWaalsContact ND2-OH 3.07Å
188	M	96.4	Very high	85.4	Confident	5 Å²	5	63 Å²	63	3%	0.025	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	158.7	174.2	-67.6	171.4	-170.4	0	0	110.9	T108 F109 N110 I184 T185 E186 W221 V233 Y234 K236	T108-M188 WeakPolarHBondContact O-CE 3.42Å; F109-M188 HydrophobicContact CB-CE 4.44Å; F109-M188 WeakPolarHBondContact O-CE 3.28Å; N110-M188 HydrophobicContact CB-CE 4.32Å; I184-M188 HydrophobicContact CD1-SD 4.32Å; I184-M188 HydrophobicContact CG2-CB 3.69Å; I184-M188 HydrophobicContact CG2-SD 4.44Å; T185-M188 HydrophobicContact CG2-CE 4.31Å; T185-M188 PolarHBondContact O-N 2.88Å; E186-M188 VanDerWaalsContact C-N 3.29Å; E186-M188 PolarHBondContact O-N 3.04Å; M188-W221 HydrophobicContact SD-CZ2 4.19Å; M188-V233 HydrophobicContact CB-CG1 4.06Å; M188-V233 HydrophobicContact CG-CG1 4.16Å; M188-V233 HydrophobicContact SD-CG1 3.97Å; M188-Y234 CarbonylContact C-O 3.55Å; M188-Y234 WeakPolarHBondContact CA-O 3.45Å; M188-K236 PolarHBondContact O-NZ 2.96Å
189	M	95.2	Very high	84.3	Confident	9 Å²	9	55.3 Å²	55.3	4%	0.044	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	169.3	165.1	61.2	177.2	-74.6	0	0	108.8	L141 E172 L209 Y234 K236	L141-M189 HydrophobicContact CD1-CE 3.64Å; L141-M189 HydrophobicContact CD1-SD 3.91Å; E172-M189 HydrophobicContact CG-CE 4.24Å; M189-L209 HydrophobicContact CE-CD2 3.61Å; M189-L209 HydrophobicContact SD-CD2 4.37Å; M189-Y234 PolarHBondContact N-O 3.3Å; M189-Y234 PolarHBondContact O-N 3Å; M189-K236 HydrophobicContact CB-CB 4.41Å; M189-K236 HydrophobicContact CG-CB 4.23Å; M189-K236 HydrophobicContact SD-CG 4.5Å
190	C	93.5	Very high	83.3	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.007	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	149.4	175.5	-53	0	0	0	0	110.5	I173 C176 P231 G232	I173-C190 HydrophobicContact CB-CB 4.49Å; I173-C190 PolarHBondContact N-O 2.82Å; C176-C190 HydrophobicContact CB-CB 3.54Å; C176-C190 WeakPolarHBondContact CB-SG 3.29Å; C176-C190 WeakPolarHBondContact SG-CB 3.37Å; C176-C190 CovalentContact SG-SG 2.02Å; C176-C190 PolarHBondContact SG-SG 3.4Å; C190-P231 HydrophobicContact CB-CG 4.18Å; C190-G232 VanDerWaalsContact CA-O 3.22Å; C190-G232 WeakPolarHBondContact CA-O 3.06Å; C190-G232 WeakPolarHBondContact CB-O 3.49Å
191	A	91.9	Very high	82.6	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	145.6	172.2	0	0	0	0	0	110.3	V170 T171 L209 G232 Y234	V170-A191 HydrophobicContact CB-CB 4.21Å; V170-A191 HydrophobicContact CG2-CB 3.7Å; T171-A191 CarbonylContact O-C 3.46Å; T171-A191 WeakPolarHBondContact O-CA 3.27Å; T171-A191 WeakPolarHBondContact O-CB 3.35Å; A191-L209 HydrophobicContact CB-CD1 4.21Å; A191-L209 HydrophobicContact CB-CD2 3.91Å; A191-G232 PolarHBondContact N-O 3.09Å; A191-G232 VanDerWaalsContact N-O 3.16Å; A191-G232 PolarHBondContact O-N 2.96Å; A191-Y234 HydrophobicContact CB-CD2 4.4Å; A191-Y234 HydrophobicContact CB-CE2 3.87Å
192	G	88.1	Confident	81.1	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.01	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.7	-172.9	178.5	0	0	0	0	0	112.2	T171	T171-G192 PolarHBondContact N-O 2.88Å; T171-G192 PolarHBondContact O-N 3.24Å
193	S	82.3	Confident	79.8	Confident	21 Å²	21	48 Å²	48	15%	0.147	24%	0.244	C	C	.	.			trans	-88.8	128.9	165	161.5	0	0	0	0	110.7	Y195 G196 K198	S193-Y195 PolarHBondContact O-N 3.13Å; S193-Y195 VanDerWaalsContact O-N 3.09Å; S193-Y195 PolarHBondContact OG-N 3.02Å; S193-Y195 VanDerWaalsContact OG-N 3.12Å; S193-G196 WeakPolarHBondContact CB-O 3.31Å; S193-G196 PolarHBondContact O-N 3.34Å; S193-G196 PolarHBondContact OG-N 3.33Å; S193-G196 PolarHBondContact OG-O 3.01Å; S193-K198 PolarHBondContact N-O 3.35Å
194	P	70.7	Confident	79.5	Confident	83 Å²	83	42.2 Å²	42.2	54%	0.539	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-19.7	171.3	-25.8	35.3	0	0	0	114.4
195	Y	72.8	Confident	79.4	Confident	214 Å²	214	42.2 Å²	42.2	84%	0.839	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101	3.7	177.7	-53.2	-72.1	0	0	0	112.8	S193	S193-Y195 PolarHBondContact O-N 3.13Å; S193-Y195 VanDerWaalsContact O-N 3.09Å; S193-Y195 PolarHBondContact OG-N 3.02Å; S193-Y195 VanDerWaalsContact OG-N 3.12Å
196	G	68.9	Low	79.5	Confident	11 Å²	11	40 Å²	40	11%	0.113	21%	0.211	C	C	.	.	S	Bend	trans	70.3	-168.3	-169.2	0	0	0	0	0	112.6	S193 K198 A226	S193-G196 WeakPolarHBondContact CB-O 3.31Å; S193-G196 PolarHBondContact O-N 3.34Å; S193-G196 PolarHBondContact OG-N 3.33Å; S193-G196 PolarHBondContact OG-O 3.01Å; G196-K198 PolarHBondContact O-N 3.23Å; G196-K198 VanDerWaalsContact O-N 3.14Å; G196-A226 CarbonylContact C-O 3.59Å; G196-A226 VanDerWaalsContact CA-O 3.28Å; G196-A226 WeakPolarHBondContact CA-O 3.18Å
197	G	63.6	Low	79.6	Confident	41 Å²	41	32.4 Å²	32.4	42%	0.423	18%	0.175	S	C	.	.	S	Bend	trans	70.8	3.9	175.8	0	0	0	0	0	115.8	I27 G28 A226	I27-G197 CarbonylContact C-O 3.36Å; I27-G197 VanDerWaalsContact C-O 3.32Å; G28-G197 WeakPolarHBondContact CA-O 3.47Å; G28-G197 PolarHBondContact N-O 3.07Å; G197-A226 PolarHBondContact N-O 2.72Å
198	K	65.8	Low	79.6	Confident	75 Å²	75	30.9 Å²	30.9	33%	0.326	17%	0.167	S	C	.	.			trans	-143.3	124.7	168.9	-65.9	-177.6	160.3	-163	0	111.5	I27 G28 V168 D169 V170 S193 G196	I27-K198 WeakPolarHBondContact O-CA 3.33Å; G28-K198 WeakPolarHBondContact O-CE 3.46Å; V168-K198 HydrophobicContact CG2-CB 3.73Å; V168-K198 HydrophobicContact CG2-CD 3.67Å; V168-K198 HydrophobicContact CG2-CG 3.65Å; D169-K198 WeakPolarHBondContact O-CD 3.21Å; V170-K198 HydrophobicContact CG1-CB 4.46Å; S193-K198 PolarHBondContact N-O 3.35Å; G196-K198 PolarHBondContact O-N 3.23Å; G196-K198 VanDerWaalsContact O-N 3.14Å
199	D	63.8	Low	79.7	Confident	4 Å²	4	30.7 Å²	30.7	2%	0.021	17%	0.166	C	C	.	.			trans	-171.9	166.4	178.1	-160.9	-6	0	0	0	110.9	A226 G232	D199-A226 VanDerWaalsContact CB-CA 3.49Å; D199-A226 HydrophobicContact CB-CB 3.79Å; D199-A226 PolarHBondContact OD2-N 2.9Å; D199-G232 WeakPolarHBondContact OD1-CA 3.35Å; D199-G232 PolarHBondContact OD1-N 3.46Å; D199-G232 PolarHBondContact OD2-N 2.84Å
200	S	64.3	Low	79.8	Confident	11 Å²	11	30.7 Å²	30.7	8%	0.077	17%	0.167	C	C	.	.			trans	-60.2	160.4	155.2	63.6	0	0	0	0	112.6	C225 Y234	S200-C225 WeakPolarHBondContact O-CB 3.12Å; S200-Y234 PolarHBondContact OG-OH 2.85Å
201	C	71.9	Confident	79.9	Confident	9 Å²	9	30.7 Å²	30.7	6%	0.061	17%	0.167	C	C	.	.			trans	-150	-171.9	172.7	-153.5	0	0	0	0	113.7	V153 G203 D204 C225	V153-C201 HydrophobicContact CG2-CB 4.02Å; V153-C201 WeakPolarHBondContact CG2-SG 3.33Å; C201-G203 PolarHBondContact O-N 2.85Å; C201-D204 PolarHBondContact N-OD2 2.88Å; C201-D204 WeakPolarHBondContact O-CB 3.42Å; C201-D204 PolarHBondContact O-N 2.94Å; C201-C225 WeakPolarHBondContact CA-SG 3.34Å; C201-C225 HydrophobicContact CB-CB 3.7Å; C201-C225 WeakPolarHBondContact CB-SG 3.18Å; C201-C225 WeakPolarHBondContact SG-CB 3.31Å; C201-C225 CovalentContact SG-SG 2.03Å; C201-C225 PolarHBondContact SG-SG 3.12Å
202	Q	57.4	Low	79.9	Confident	130 Å²	130	36.5 Å²	36.5	61%	0.607	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	126.8	-178.7	-61.8	-65.2	-50.3	0	0	110.9	G152 V153	G152-Q202 CarbonylContact C-O 3.5Å; G152-Q202 WeakPolarHBondContact CA-O 3.5Å; V153-Q202 HydrophobicContact CG1-CB 4.17Å; V153-Q202 HydrophobicContact CG2-CB 3.83Å; V153-Q202 HydrophobicContact CG2-CG 4.4Å; V153-Q202 PolarHBondContact N-O 3.07Å
203	G	61.2	Low	80.1	Confident	11 Å²	11	38.3 Å²	38.3	11%	0.113	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.2	-16.6	-174	0	0	0	0	0	114.9	H50 C201 S205	H50-G203 PolarHBondContact NE2-O 2.84Å; C201-G203 PolarHBondContact O-N 2.85Å; G203-S205 VanDerWaalsContact C-N 3.26Å
204	D	82.3	Confident	80.9	Confident	5 Å²	5	38.4 Å²	38.4	3%	0.027	22%	0.215	C	C	.	.			trans	-80	-11.4	166.9	-58.1	-48.5	0	0	0	112.1	I26 G150 W151 G152 C201 G206 G207 V219	I26-D204 WeakPolarHBondContact CD1-OD2 3.08Å; G150-D204 VanDerWaalsContact C-OD1 3.31Å; G150-D204 VanDerWaalsContact CA-OD1 3.29Å; G150-D204 WeakPolarHBondContact CA-OD1 3.26Å; W151-D204 PolarHBondContact N-OD1 2.69Å; G152-D204 WeakPolarHBondContact CA-OD1 3.4Å; G152-D204 PolarHBondContact N-OD1 3.2Å; C201-D204 PolarHBondContact N-OD2 2.88Å; C201-D204 WeakPolarHBondContact O-CB 3.42Å; C201-D204 PolarHBondContact O-N 2.94Å; D204-G206 PolarHBondContact O-N 3.15Å; D204-G207 WeakPolarHBondContact O-CA 3.49Å; D204-G207 PolarHBondContact O-N 2.75Å; D204-V219 HydrophobicContact CB-CG1 4.17Å; D204-V219 HydrophobicContact CB-CG2 4.27Å; D204-V219 VanDerWaalsContact O-CB 3.29Å; D204-V219 WeakPolarHBondContact O-CB 3.33Å
205	S	91	Very high	82.2	Confident	18 Å²	18	34.4 Å²	34.4	13%	0.126	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-40.8	128.7	176.4	-79.7	0	0	0	0	113.4	C52 G53 H67 G203 G207	C52-S205 CarbonylContact C-O 3.09Å; C52-S205 WeakPolarHBondContact CA-O 3.35Å; C52-S205 VanDerWaalsContact CB-O 3.24Å; C52-S205 WeakPolarHBondContact CB-O 3.45Å; G53-S205 PolarHBondContact N-O 2.98Å; H67-S205 VanDerWaalsContact NE2-CB 3.27Å; H67-S205 WeakPolarHBondContact NE2-CB 3.44Å; H67-S205 PolarHBondContact NE2-OG 3.15Å; G203-S205 VanDerWaalsContact C-N 3.26Å; S205-G207 PolarHBondContact O-N 2.57Å
206	G	96.6	Very high	83.4	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	-10.7	-176	0	0	0	0	0	115.2	G53 G54 S64 D204 V219	G53-G206 CarbonylContact C-O 3.57Å; G53-G206 CarbonylContact O-C 3.22Å; G53-G206 VanDerWaalsContact O-C 3.24Å; G53-G206 WeakPolarHBondContact O-CA 3.36Å; G54-G206 WeakPolarHBondContact CA-O 3.27Å; S64-G206 WeakPolarHBondContact OG-CA 3.15Å; D204-G206 PolarHBondContact O-N 3.15Å; G206-V219 PolarHBondContact N-O 3.32Å
207	G	96.8	Very high	84.7	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.144	C	C	.	.			trans	-73	167.8	176.7	0	0	0	0	0	114.4	D204 S205 V219	D204-G207 WeakPolarHBondContact O-CA 3.49Å; D204-G207 PolarHBondContact O-N 2.75Å; S205-G207 PolarHBondContact O-N 2.57Å; G207-V219 PolarHBondContact O-N 2.77Å
208	P	97.8	Very high	86.4	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	138.8	-174	28.5	-33.5	0	0	0	114.3	Y39 Q40 T55 V148 S149 V210 F215	Y39-P208 HydrophobicContact CD2-CB 4.23Å; Y39-P208 HydrophobicContact CD2-CG 4.09Å; Y39-P208 HydrophobicContact CE2-CB 3.89Å; Y39-P208 HydrophobicContact CE2-CG 3.77Å; Q40-P208 VanDerWaalsContact OE1-CG 3.3Å; T55-P208 HydrophobicContact CG2-CB 4.08Å; T55-P208 WeakPolarHBondContact OG1-CB 3.15Å; V148-P208 WeakPolarHBondContact CA-O 3.28Å; V148-P208 WeakPolarHBondContact CG2-O 3.47Å; S149-P208 PolarHBondContact N-O 3.12Å; P208-V210 HydrophobicContact CB-CG2 4.14Å; P208-F215 HydrophobicContact CB-CD2 4.28Å; P208-F215 HydrophobicContact CB-CE2 4.27Å
209	L	97.4	Very high	87.9	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	115.4	152.5	-178.8	74.8	0	0	0	108.5	C146 V148 V170 M189 A191 E216 G217 Y234	C146-L209 HydrophobicContact CB-CD1 3.58Å; C146-L209 HydrophobicContact CB-CD2 4.46Å; C146-L209 HydrophobicContact CB-CG 3.91Å; V148-L209 HydrophobicContact CB-CD1 3.92Å; V170-L209 HydrophobicContact CG2-CD1 3.66Å; M189-L209 HydrophobicContact CE-CD2 3.61Å; M189-L209 HydrophobicContact SD-CD2 4.37Å; A191-L209 HydrophobicContact CB-CD1 4.21Å; A191-L209 HydrophobicContact CB-CD2 3.91Å; L209-E216 PolarHBondContact O-N 3.41Å; L209-G217 WeakPolarHBondContact CB-O 3.5Å; L209-G217 PolarHBondContact N-O 2.75Å; L209-G217 PolarHBondContact O-N 2.84Å; L209-Y234 HydrophobicContact CB-CD1 3.62Å; L209-Y234 HydrophobicContact CB-CE1 3.68Å; L209-Y234 HydrophobicContact CB-CG 4.48Å; L209-Y234 HydrophobicContact CD1-CE1 3.95Å; L209-Y234 HydrophobicContact CD2-CD1 3.81Å; L209-Y234 HydrophobicContact CD2-CD2 4.12Å; L209-Y234 HydrophobicContact CD2-CE1 3.99Å; L209-Y234 HydrophobicContact CD2-CE2 4.32Å; L209-Y234 HydrophobicContact CD2-CG 3.9Å; L209-Y234 HydrophobicContact CG-CD1 4.19Å; L209-Y234 HydrophobicContact CG-CE1 4.08Å
210	V	97.4	Very high	89.3	Confident	10 Å²	10	18.6 Å²	18.6	6%	0.061	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	117.1	-176	168.7	0	0	0	0	110.3	Y39 V131 C146 T147 P208 I214 F215	Y39-V210 HydrophobicContact CE2-CG2 3.79Å; V131-V210 HydrophobicContact CG2-CG2 4.05Å; C146-V210 CarbonylContact C-O 3.49Å; C146-V210 VanDerWaalsContact CA-O 3.28Å; C146-V210 WeakPolarHBondContact CA-O 3.47Å; T147-V210 PolarHBondContact N-O 3.26Å; T147-V210 PolarHBondContact O-N 2.77Å; P208-V210 HydrophobicContact CB-CG2 4.14Å; V210-I214 CarbonylContact C-O 3.6Å; V210-I214 VanDerWaalsContact CA-O 3.26Å; V210-I214 WeakPolarHBondContact CA-O 3.15Å; V210-F215 HydrophobicContact CG2-CB 4.27Å
211	C	95.8	Very high	90.3	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.007	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.4	179.3	-50.7	0	0	0	0	109.1	L141 C146 G213 I214 E216	L141-C211 HydrophobicContact CD2-CB 3.74Å; C146-C211 HydrophobicContact CB-CB 3.95Å; C146-C211 WeakPolarHBondContact CB-SG 3.29Å; C146-C211 WeakPolarHBondContact SG-CB 3.42Å; C146-C211 CovalentContact SG-SG 2.03Å; C146-C211 PolarHBondContact SG-SG 2.73Å; C211-G213 PolarHBondContact O-N 3.2Å; C211-I214 PolarHBondContact N-O 3.2Å; C211-I214 PolarHBondContact O-N 3.09Å; C211-E216 HydrophobicContact CB-CB 4.42Å; C211-E216 HydrophobicContact CB-CG 4.14Å
212	N	91.4	Very high	90.6	Very high	121 Å²	121	21.1 Å²	21.1	65%	0.647	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	25.7	-179.1	-54.2	-54.6	0	0	0	115
213	G	93.5	Very high	91	Very high	40 Å²	40	18.7 Å²	18.7	41%	0.412	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	11.9	-176.5	0	0	0	0	0	115.7	C211	C211-G213 PolarHBondContact O-N 3.2Å
214	I	97.8	Very high	91.2	Very high	22 Å²	22	19.8 Å²	19.8	11%	0.113	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	140.1	173.4	-50.5	-59.7	0	0	0	109.6	R132 P134 T138 V210 C211 E216	R132-I214 HydrophobicContact CB-CD1 3.89Å; P134-I214 HydrophobicContact CB-CG2 4.13Å; P134-I214 HydrophobicContact CG-CG2 3.79Å; T138-I214 HydrophobicContact CG2-CG1 4.34Å; T138-I214 HydrophobicContact CG2-CG2 4.17Å; V210-I214 CarbonylContact C-O 3.6Å; V210-I214 VanDerWaalsContact CA-O 3.26Å; V210-I214 WeakPolarHBondContact CA-O 3.15Å; C211-I214 PolarHBondContact N-O 3.2Å; C211-I214 PolarHBondContact O-N 3.09Å; I214-E216 HydrophobicContact CB-CG 4.41Å; I214-E216 HydrophobicContact CG2-CG 4.29Å
215	F	98.2	Very high	90.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	113.7	-179.9	171.1	-136.6	0	0	0	111.7	T55 V57 V63 V131 R132 L133 P134 P208 V210 G217 I218 V237	T55-F215 HydrophobicContact CG2-CD1 3.87Å; T55-F215 HydrophobicContact CG2-CD2 3.93Å; T55-F215 HydrophobicContact CG2-CE1 3.81Å; T55-F215 HydrophobicContact CG2-CE2 3.86Å; T55-F215 HydrophobicContact CG2-CG 3.93Å; T55-F215 HydrophobicContact CG2-CZ 3.79Å; T55-F215 WeakPolarHBondContact OG1-CE2 3.33Å; V57-F215 HydrophobicContact CG1-CD1 3.82Å; V57-F215 HydrophobicContact CG1-CE1 3.84Å; V63-F215 HydrophobicContact CB-CE1 3.8Å; V63-F215 HydrophobicContact CB-CZ 4.05Å; V63-F215 HydrophobicContact CG1-CE1 3.84Å; V63-F215 HydrophobicContact CG1-CZ 3.81Å; V63-F215 HydrophobicContact CG2-CE1 4.16Å; V131-F215 HydrophobicContact CB-CB 4.3Å; V131-F215 HydrophobicContact CG1-CB 3.44Å; V131-F215 VanDerWaalsContact CG1-CB 3.44Å; V131-F215 HydrophobicContact CG1-CD1 3.98Å; V131-F215 HydrophobicContact CG1-CG 3.88Å; V131-F215 HydrophobicContact CG2-CB 3.86Å; R132-F215 PolarHBondContact O-N 2.75Å; L133-F215 HydrophobicContact CD2-CD1 3.96Å; L133-F215 HydrophobicContact CD2-CE1 4.49Å; P134-F215 WeakPolarHBondContact CD-O 3.39Å; P134-F215 VanDerWaalsContact CG-O 3.31Å; P134-F215 WeakPolarHBondContact CG-O 3.47Å; P208-F215 HydrophobicContact CB-CD2 4.28Å; P208-F215 HydrophobicContact CB-CE2 4.27Å; V210-F215 HydrophobicContact CG2-CB 4.27Å; F215-G217 VanDerWaalsContact CE2-O 3.23Å; F215-G217 WeakPolarHBondContact CE2-O 3.48Å; F215-I218 HydrophobicContact CE2-CG1 4.04Å; F215-I218 HydrophobicContact CZ-CG1 3.67Å; F215-V237 HydrophobicContact CD1-CG1 3.98Å; F215-V237 HydrophobicContact CD1-CG2 4.28Å; F215-V237 HydrophobicContact CD2-CG2 4.18Å; F215-V237 HydrophobicContact CE1-CG1 4.11Å; F215-V237 HydrophobicContact CE1-CG2 4Å; F215-V237 HydrophobicContact CE2-CG2 3.9Å; F215-V237 HydrophobicContact CG-CG1 4.48Å; F215-V237 HydrophobicContact CG-CG2 4.36Å; F215-V237 HydrophobicContact CZ-CG2 3.82Å; F215-V237 WeakPolarHBondContact O-CG1 3.41Å
216	E	97.8	Very high	89.3	Confident	1 Å²	1	20.2 Å²	20.2	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	-27.3	-162.2	-75.8	-78.6	-168.7	0	0	113.6	P134 T138 L141 L209 C211 I214 K236 V237 R238	P134-E216 HydrophobicContact CG-CG 4.37Å; T138-E216 WeakPolarHBondContact CG2-OE1 3.42Å; L141-E216 HydrophobicContact CD1-CB 3.74Å; L141-E216 HydrophobicContact CD1-CG 3.92Å; L141-E216 HydrophobicContact CD2-CG 3.87Å; L141-E216 HydrophobicContact CG-CG 4.43Å; L209-E216 PolarHBondContact O-N 3.41Å; C211-E216 HydrophobicContact CB-CB 4.42Å; C211-E216 HydrophobicContact CB-CG 4.14Å; I214-E216 HydrophobicContact CB-CG 4.41Å; I214-E216 HydrophobicContact CG2-CG 4.29Å; E216-K236 CarbonylContact O-C 3.56Å; E216-V237 WeakPolarHBondContact O-CB 3.28Å; E216-V237 PolarHBondContact O-N 2.92Å; E216-R238 VanDerWaalsContact CD-NH2 3.32Å; E216-R238 IonicContact OE1-CZ 3.63Å; E216-R238 IonicContact OE1-NE 2.75Å; E216-R238 IonicContact OE1-NH2 2.79Å; E216-R238 PolarHBondContact OE1-NH2 2.91Å; E216-R238 IonicContact OE2-CZ 2.98Å; E216-R238 IonicContact OE2-NE 3.85Å; E216-R238 PolarHBondContact OE2-NE 2.88Å; E216-R238 IonicContact OE2-NH2 3.93Å; E216-R238 PolarHBondContact OE2-NH2 3.31Å
217	G	97.8	Very high	88	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	147.4	175.6	0	0	0	0	0	112.3	L209 F215 T235	L209-G217 WeakPolarHBondContact CB-O 3.5Å; L209-G217 PolarHBondContact N-O 2.75Å; L209-G217 PolarHBondContact O-N 2.84Å; F215-G217 VanDerWaalsContact CE2-O 3.23Å; F215-G217 WeakPolarHBondContact CE2-O 3.48Å; G217-T235 VanDerWaalsContact CA-O 3.31Å; G217-T235 WeakPolarHBondContact CA-O 3.37Å
218	I	98.4	Very high	86.8	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.9	165.6	-59.4	151.2	0	0	0	107.3	V63 A65 I113 F215 S220 Y234 T235 V237	V63-I218 HydrophobicContact CG1-CD1 3.53Å; V63-I218 HydrophobicContact CG1-CG1 3.95Å; A65-I218 HydrophobicContact CB-CG2 3.99Å; I113-I218 HydrophobicContact CB-CD1 3.89Å; I113-I218 HydrophobicContact CD1-CD1 3.62Å; I113-I218 HydrophobicContact CG1-CD1 3.55Å; F215-I218 HydrophobicContact CE2-CG1 4.04Å; F215-I218 HydrophobicContact CZ-CG1 3.67Å; I218-S220 PolarHBondContact O-N 3.13Å; I218-S220 VanDerWaalsContact O-N 3.15Å; I218-Y234 CarbonylContact O-C 3.47Å; I218-Y234 WeakPolarHBondContact O-CA 3.48Å; I218-Y234 WeakPolarHBondContact O-CB 3.46Å; I218-T235 HydrophobicContact CD1-CG2 4.4Å; I218-T235 PolarHBondContact N-O 2.83Å; I218-T235 PolarHBondContact O-N 3.4Å; I218-V237 HydrophobicContact CD1-CG2 4.08Å; I218-V237 HydrophobicContact CG1-CG2 3.82Å
219	V	96.6	Very high	85.6	Confident	6 Å²	6	32.7 Å²	32.7	4%	0.036	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	119.4	175.8	180	0	0	0	0	109.2	V148 D204 G206 G207 Y234	V148-V219 HydrophobicContact CG2-CG2 3.64Å; D204-V219 HydrophobicContact CB-CG1 4.17Å; D204-V219 HydrophobicContact CB-CG2 4.27Å; D204-V219 VanDerWaalsContact O-CB 3.29Å; D204-V219 WeakPolarHBondContact O-CB 3.33Å; G206-V219 PolarHBondContact N-O 3.32Å; G207-V219 PolarHBondContact O-N 2.77Å; V219-Y234 HydrophobicContact CB-CD1 4.42Å; V219-Y234 HydrophobicContact CB-CE1 4.39Å; V219-Y234 HydrophobicContact CG2-CD1 4.03Å; V219-Y234 HydrophobicContact CG2-CE1 3.64Å
220	S	93.7	Very high	84.8	Confident	5 Å²	5	34.5 Å²	34.5	4%	0.035	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	-62.7	-170.6	177.6	0	0	0	0	112.6	H67 D112 I218 V233	H67-S220 PolarHBondContact CE1-O 3.01Å; D112-S220 WeakPolarHBondContact CB-OG 3.18Å; D112-S220 WeakPolarHBondContact OD2-CB 3.35Å; D112-S220 PolarHBondContact OD2-OG 3.18Å; I218-S220 PolarHBondContact O-N 3.13Å; I218-S220 VanDerWaalsContact O-N 3.15Å; S220-V233 WeakPolarHBondContact CB-O 3.36Å; S220-V233 PolarHBondContact N-O 2.7Å; S220-V233 VanDerWaalsContact N-O 3.12Å
221	W	86.2	Confident	84.2	Confident	33 Å²	33	34.2 Å²	34.2	13%	0.125	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	170.7	-179.8	64.7	-83.3	0	0	0	113.6	F109 Y180 R183 I184 M188 V233	F109-W221 HydrophobicContact CB-CG 4.17Å; F109-W221 HydrophobicContact CD1-CB 4.23Å; F109-W221 HydrophobicContact CD1-CG 4.41Å; F109-W221 HydrophobicContact CG-CB 4.4Å; F109-W221 AromaticContact CG-CD1 3.82Å; F109-W221 HydrophobicContact CG-CG 4.14Å; Y180-W221 AromaticContact CD1-CH2 3.56Å; Y180-W221 HydrophobicContact CD1-CH2 3.56Å; Y180-W221 AromaticContact CD1-CZ3 3.56Å; Y180-W221 HydrophobicContact CD1-CZ3 3.56Å; Y180-W221 HydrophobicContact CE1-CE3 4.4Å; Y180-W221 AromaticContact CE1-CH2 3.93Å; Y180-W221 HydrophobicContact CE1-CH2 3.93Å; Y180-W221 AromaticContact CE1-CZ3 3.52Å; Y180-W221 HydrophobicContact CE1-CZ3 3.52Å; Y180-W221 HydrophobicContact CG-CH2 4.08Å; Y180-W221 HydrophobicContact CG-CZ3 4.48Å; R183-W221 HydrophobicContact CB-CH2 4.48Å; I184-W221 HydrophobicContact CD1-CH2 4.08Å; I184-W221 HydrophobicContact CD1-CZ2 3.83Å; M188-W221 HydrophobicContact SD-CZ2 4.19Å; W221-V233 HydrophobicContact CD2-CB 4.03Å; W221-V233 HydrophobicContact CD2-CG1 4.45Å; W221-V233 HydrophobicContact CD2-CG2 4.08Å; W221-V233 HydrophobicContact CE3-CG2 4.23Å; W221-V233 HydrophobicContact CG-CB 4.22Å; W221-V233 HydrophobicContact CH2-CG2 4.12Å; W221-V233 HydrophobicContact CZ2-CB 4.28Å; W221-V233 HydrophobicContact CZ2-CG1 4.03Å; W221-V233 HydrophobicContact CZ2-CG2 3.98Å; W221-V233 HydrophobicContact CZ3-CG2 4.25Å; W221-V233 PolarHBondContact N-O 3.14Å; W221-V233 WeakPolarHBondContact O-CA 3.12Å; W221-V233 VanDerWaalsContact O-CB 3.29Å; W221-V233 WeakPolarHBondContact O-CB 3.34Å; W221-V233 PolarHBondContact O-N 2.83Å
222	G	77.8	Confident	84	Confident	40 Å²	40	34.3 Å²	34.3	41%	0.412	20%	0.195	S	C	.	.			trans	-165.5	164.5	172.9	0	0	0	0	0	110.9
223	I	66.1	Low	84.1	Confident	80 Å²	80	28.6 Å²	28.6	41%	0.41	17%	0.165	S	C	.	.	S	Bend	trans	-85.4	-33.7	173.7	-78	170.2	0	0	0	110.9	Y180 W181 F230	Y180-I223 HydrophobicContact CD1-CD1 3.74Å; Y180-I223 HydrophobicContact CD1-CG1 4.36Å; Y180-I223 HydrophobicContact CE1-CB 4.3Å; Y180-I223 HydrophobicContact CE1-CD1 3.65Å; Y180-I223 HydrophobicContact CE1-CG1 3.86Å; W181-I223 HydrophobicContact CZ3-CD1 4.23Å; I223-F230 HydrophobicContact CB-CB 4.16Å; I223-F230 HydrophobicContact CB-CD1 4.3Å; I223-F230 HydrophobicContact CB-CD2 4.28Å; I223-F230 HydrophobicContact CB-CG 3.98Å; I223-F230 HydrophobicContact CD1-CD1 3.86Å; I223-F230 HydrophobicContact CD1-CE1 3.95Å; I223-F230 HydrophobicContact CD1-CG 4.41Å; I223-F230 HydrophobicContact CG2-CD1 4.48Å; I223-F230 HydrophobicContact CG2-CD2 3.81Å; I223-F230 HydrophobicContact CG2-CE2 4.13Å; I223-F230 HydrophobicContact CG2-CG 4.03Å
224	S	65.1	Low	84.2	Confident	34 Å²	34	26.7 Å²	26.7	24%	0.238	15%	0.145	C	C	.	.	S	Bend	trans	-164	135	178.5	55.1	0	0	0	0	109	N227	S224-N227 WeakPolarHBondContact OG-CB 3.37Å; S224-N227 PolarHBondContact OG-ND2 3.46Å; S224-N227 VanDerWaalsContact OG-ND2 3.15Å
225	C	68.8	Low	84.3	Confident	18 Å²	18	25.7 Å²	25.7	12%	0.122	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	136.8	179.9	-43.6	0	0	0	0	111.6	I27 S200 C201 N227	I27-C225 HydrophobicContact CD1-CB 3.64Å; S200-C225 WeakPolarHBondContact O-CB 3.12Å; C201-C225 WeakPolarHBondContact CA-SG 3.34Å; C201-C225 HydrophobicContact CB-CB 3.7Å; C201-C225 WeakPolarHBondContact CB-SG 3.18Å; C201-C225 WeakPolarHBondContact SG-CB 3.31Å; C201-C225 CovalentContact SG-SG 2.03Å; C201-C225 PolarHBondContact SG-SG 3.12Å; C225-N227 VanDerWaalsContact C-N 3.25Å; C225-N227 PolarHBondContact O-N 3.18Å
226	A	64.3	Low	84.2	Confident	14 Å²	14	27.9 Å²	27.9	12%	0.116	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	24.2	169.7	0	0	0	0	0	116.1	I27 G196 G197 D199	I27-A226 HydrophobicContact CB-CB 3.99Å; I27-A226 HydrophobicContact CD1-CB 3.71Å; I27-A226 HydrophobicContact CG1-CB 4.43Å; I27-A226 HydrophobicContact CG2-CB 3.73Å; G196-A226 CarbonylContact C-O 3.59Å; G196-A226 VanDerWaalsContact CA-O 3.28Å; G196-A226 WeakPolarHBondContact CA-O 3.18Å; G197-A226 PolarHBondContact N-O 2.72Å; D199-A226 VanDerWaalsContact CB-CA 3.49Å; D199-A226 HydrophobicContact CB-CB 3.79Å; D199-A226 PolarHBondContact OD2-N 2.9Å
227	N	69.7	Low	84.2	Confident	50 Å²	50	27.8 Å²	27.8	27%	0.267	15%	0.149	S	C	.	.	B	Isolated β-bridge	trans	-88.5	124.7	171.5	-175.4	-22.7	0	0	0	109.8	S224 C225 Y229 F230	S224-N227 WeakPolarHBondContact OG-CB 3.37Å; S224-N227 PolarHBondContact OG-ND2 3.46Å; S224-N227 VanDerWaalsContact OG-ND2 3.15Å; C225-N227 VanDerWaalsContact C-N 3.25Å; C225-N227 PolarHBondContact O-N 3.18Å; N227-Y229 PolarHBondContact O-N 3.25Å; N227-Y229 VanDerWaalsContact O-N 3.07Å; N227-Y229 PolarHBondContact OD1-N 3.33Å; N227-F230 HydrophobicContact CB-CB 4.41Å; N227-F230 WeakPolarHBondContact ND2-CD2 2.96Å; N227-F230 CarbonylContact O-C 3.6Å; N227-F230 PolarHBondContact O-N 3.28Å
228	P	70.4	Confident	84.2	Confident	44 Å²	44	30.4 Å²	30.4	29%	0.286	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.4	-178.8	24.9	-32.4	0	0	0	113.6
229	Y	74.3	Confident	84.1	Confident	168 Å²	168	33.6 Å²	33.6	66%	0.659	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-8.5	177.5	-57.4	-72	0	0	0	113.9	Y179 N227	Y179-Y229 WeakPolarHBondContact CD1-O 3.42Å; N227-Y229 PolarHBondContact O-N 3.25Å; N227-Y229 VanDerWaalsContact O-N 3.07Å; N227-Y229 PolarHBondContact OD1-N 3.33Å
230	F	79.4	Confident	84.2	Confident	38 Å²	38	33.6 Å²	33.6	17%	0.167	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-141.5	73.2	177.9	-60.6	-59.2	0	0	0	110.5	Y179 Y180 W181 I223 N227	Y179-F230 WeakPolarHBondContact O-CE1 3.45Å; Y180-F230 HydrophobicContact CD1-CD1 4.37Å; Y180-F230 HydrophobicContact CE1-CB 4.4Å; Y180-F230 HydrophobicContact CE1-CD1 4.02Å; Y180-F230 WeakPolarHBondContact OH-CA 3.22Å; Y180-F230 PolarHBondContact OH-O 3.35Å; W181-F230 AromaticContact CH2-CE1 3.64Å; W181-F230 HydrophobicContact CH2-CE1 3.64Å; W181-F230 AromaticContact CH2-CZ 3.62Å; W181-F230 HydrophobicContact CH2-CZ 3.62Å; W181-F230 HydrophobicContact CZ2-CE1 4.39Å; W181-F230 HydrophobicContact CZ2-CZ 4.35Å; W181-F230 AromaticContact CZ3-CE1 3.87Å; W181-F230 HydrophobicContact CZ3-CE1 3.87Å; W181-F230 HydrophobicContact CZ3-CZ 4.25Å; I223-F230 HydrophobicContact CB-CB 4.16Å; I223-F230 HydrophobicContact CB-CD1 4.3Å; I223-F230 HydrophobicContact CB-CD2 4.28Å; I223-F230 HydrophobicContact CB-CG 3.98Å; I223-F230 HydrophobicContact CD1-CD1 3.86Å; I223-F230 HydrophobicContact CD1-CE1 3.95Å; I223-F230 HydrophobicContact CD1-CG 4.41Å; I223-F230 HydrophobicContact CG2-CD1 4.48Å; I223-F230 HydrophobicContact CG2-CD2 3.81Å; I223-F230 HydrophobicContact CG2-CE2 4.13Å; I223-F230 HydrophobicContact CG2-CG 4.03Å; N227-F230 HydrophobicContact CB-CB 4.41Å; N227-F230 WeakPolarHBondContact ND2-CD2 2.96Å; N227-F230 CarbonylContact O-C 3.6Å; N227-F230 PolarHBondContact O-N 3.28Å
231	P	85.9	Confident	84.4	Confident	4 Å²	4	34.6 Å²	34.6	3%	0.026	18%	0.181	C	C	.	.			trans	-69.4	140.7	179.3	30	-35.7	0	0	0	111.7	I173 Y180 C190 V233	I173-P231 HydrophobicContact CD1-CB 3.51Å; I173-P231 HydrophobicContact CD1-CG 3.81Å; I173-P231 HydrophobicContact CG2-CG 4.5Å; Y180-P231 HydrophobicContact CE2-CG 4.46Å; Y180-P231 PolarHBondContact OH-O 3.39Å; C190-P231 HydrophobicContact CB-CG 4.18Å; P231-V233 PolarHBondContact O-N 2.86Å
232	G	90.3	Very high	85	Confident	2 Å²	2	37.7 Å²	37.7	2%	0.021	21%	0.206	C	C	.	.			trans	-43.2	136.2	178.4	0	0	0	0	0	114.1	C190 A191 D199 Y234	C190-G232 VanDerWaalsContact CA-O 3.22Å; C190-G232 WeakPolarHBondContact CA-O 3.06Å; C190-G232 WeakPolarHBondContact CB-O 3.49Å; A191-G232 PolarHBondContact N-O 3.09Å; A191-G232 VanDerWaalsContact N-O 3.16Å; A191-G232 PolarHBondContact O-N 2.96Å; D199-G232 WeakPolarHBondContact OD1-CA 3.35Å; D199-G232 PolarHBondContact OD1-N 3.46Å; D199-G232 PolarHBondContact OD2-N 2.84Å; G232-Y234 VanDerWaalsContact C-CE2 3.49Å; G232-Y234 WeakPolarHBondContact O-CD2 3.23Å; G232-Y234 WeakPolarHBondContact O-CE2 3.41Å
233	V	94.1	Very high	86	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	131	-178.7	-169.6	0	0	0	0	109.4	Y180 I184 M188 S220 W221 P231	Y180-V233 HydrophobicContact CD2-CG2 4.3Å; Y180-V233 HydrophobicContact CE1-CG2 4.23Å; Y180-V233 HydrophobicContact CE2-CG2 3.7Å; I184-V233 HydrophobicContact CD1-CG1 3.87Å; I184-V233 HydrophobicContact CD1-CG2 3.9Å; M188-V233 HydrophobicContact CB-CG1 4.06Å; M188-V233 HydrophobicContact CG-CG1 4.16Å; M188-V233 HydrophobicContact SD-CG1 3.97Å; S220-V233 WeakPolarHBondContact CB-O 3.36Å; S220-V233 PolarHBondContact N-O 2.7Å; S220-V233 VanDerWaalsContact N-O 3.12Å; W221-V233 HydrophobicContact CD2-CB 4.03Å; W221-V233 HydrophobicContact CD2-CG1 4.45Å; W221-V233 HydrophobicContact CD2-CG2 4.08Å; W221-V233 HydrophobicContact CE3-CG2 4.23Å; W221-V233 HydrophobicContact CG-CB 4.22Å; W221-V233 HydrophobicContact CH2-CG2 4.12Å; W221-V233 HydrophobicContact CZ2-CB 4.28Å; W221-V233 HydrophobicContact CZ2-CG1 4.03Å; W221-V233 HydrophobicContact CZ2-CG2 3.98Å; W221-V233 HydrophobicContact CZ3-CG2 4.25Å; W221-V233 PolarHBondContact N-O 3.14Å; W221-V233 WeakPolarHBondContact O-CA 3.12Å; W221-V233 VanDerWaalsContact O-CB 3.29Å; W221-V233 WeakPolarHBondContact O-CB 3.34Å; W221-V233 PolarHBondContact O-N 2.83Å; P231-V233 PolarHBondContact O-N 2.86Å
234	Y	96.5	Very high	87.5	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	142.9	-173.1	-56.7	-108.2	0	0	0	110.2	V148 M188 M189 A191 S200 L209 I218 V219 G232 K236	V148-Y234 HydrophobicContact CG2-CE1 4.05Å; M188-Y234 CarbonylContact C-O 3.55Å; M188-Y234 WeakPolarHBondContact CA-O 3.45Å; M189-Y234 PolarHBondContact N-O 3.3Å; M189-Y234 PolarHBondContact O-N 3Å; A191-Y234 HydrophobicContact CB-CD2 4.4Å; A191-Y234 HydrophobicContact CB-CE2 3.87Å; S200-Y234 PolarHBondContact OG-OH 2.85Å; L209-Y234 HydrophobicContact CB-CD1 3.62Å; L209-Y234 HydrophobicContact CB-CE1 3.68Å; L209-Y234 HydrophobicContact CB-CG 4.48Å; L209-Y234 HydrophobicContact CD1-CE1 3.95Å; L209-Y234 HydrophobicContact CD2-CD1 3.81Å; L209-Y234 HydrophobicContact CD2-CD2 4.12Å; L209-Y234 HydrophobicContact CD2-CE1 3.99Å; L209-Y234 HydrophobicContact CD2-CE2 4.32Å; L209-Y234 HydrophobicContact CD2-CG 3.9Å; L209-Y234 HydrophobicContact CG-CD1 4.19Å; L209-Y234 HydrophobicContact CG-CE1 4.08Å; I218-Y234 CarbonylContact O-C 3.47Å; I218-Y234 WeakPolarHBondContact O-CA 3.48Å; I218-Y234 WeakPolarHBondContact O-CB 3.46Å; V219-Y234 HydrophobicContact CB-CD1 4.42Å; V219-Y234 HydrophobicContact CB-CE1 4.39Å; V219-Y234 HydrophobicContact CG2-CD1 4.03Å; V219-Y234 HydrophobicContact CG2-CE1 3.64Å; G232-Y234 VanDerWaalsContact C-CE2 3.49Å; G232-Y234 WeakPolarHBondContact O-CD2 3.23Å; G232-Y234 WeakPolarHBondContact O-CE2 3.41Å; Y234-K236 PolarHBondContact O-N 2.98Å
235	T	98	Very high	89.1	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	122.8	169.9	-57.6	0	0	0	0	109	D112 I113 G217 I218 V237 Y240	D112-T235 WeakPolarHBondContact O-CB 3.45Å; D112-T235 PolarHBondContact O-OG1 2.91Å; I113-T235 HydrophobicContact CB-CG2 4.18Å; I113-T235 HydrophobicContact CG2-CG2 4.45Å; G217-T235 VanDerWaalsContact CA-O 3.31Å; G217-T235 WeakPolarHBondContact CA-O 3.37Å; I218-T235 HydrophobicContact CD1-CG2 4.4Å; I218-T235 PolarHBondContact N-O 2.83Å; I218-T235 PolarHBondContact O-N 3.4Å; T235-V237 PolarHBondContact O-N 3.08Å; T235-V237 VanDerWaalsContact O-N 3.14Å; T235-Y240 HydrophobicContact CG2-CD2 3.95Å; T235-Y240 HydrophobicContact CG2-CE2 3.41Å; T235-Y240 VanDerWaalsContact CG2-CE2 3.41Å
236	K	97.3	Very high	90.5	Very high	46 Å²	46	41.3 Å²	41.3	20%	0.2	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	98.8	-174.1	179.4	-172.6	-82.4	115.5	0	110.7	E186 N187 M188 M189 E216 Y234 R238 N239 Y240	E186-K236 PolarHBondContact O-NZ 2.02Å; N187-K236 WeakPolarHBondContact O-CB 3.46Å; N187-K236 PolarHBondContact O-N 3.25Å; M188-K236 PolarHBondContact O-NZ 2.96Å; M189-K236 HydrophobicContact CB-CB 4.41Å; M189-K236 HydrophobicContact CG-CB 4.23Å; M189-K236 HydrophobicContact SD-CG 4.5Å; E216-K236 CarbonylContact O-C 3.56Å; Y234-K236 PolarHBondContact O-N 2.98Å; K236-R238 VanDerWaalsContact C-N 3.32Å; K236-R238 HydrophobicContact CD-CG 3.83Å; K236-R238 HydrophobicContact CG-CG 3.5Å; K236-R238 PolarHBondContact O-N 3.07Å; K236-N239 WeakPolarHBondContact CD-OD1 3.36Å; K236-N239 PolarHBondContact O-N 3.02Å; K236-N239 VanDerWaalsContact O-N 3.14Å; K236-Y240 WeakPolarHBondContact O-CD2 3.29Å
237	V	98.2	Very high	92.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-57.3	-39.8	-171.3	176	0	0	0	0	112.6	L133 F215 E216 I218 T235 N239 Y240 V241 I244	L133-V237 HydrophobicContact CD2-CG1 3.7Å; F215-V237 HydrophobicContact CD1-CG1 3.98Å; F215-V237 HydrophobicContact CD1-CG2 4.28Å; F215-V237 HydrophobicContact CD2-CG2 4.18Å; F215-V237 HydrophobicContact CE1-CG1 4.11Å; F215-V237 HydrophobicContact CE1-CG2 4Å; F215-V237 HydrophobicContact CE2-CG2 3.9Å; F215-V237 HydrophobicContact CG-CG1 4.48Å; F215-V237 HydrophobicContact CG-CG2 4.36Å; F215-V237 HydrophobicContact CZ-CG2 3.82Å; F215-V237 WeakPolarHBondContact O-CG1 3.41Å; E216-V237 WeakPolarHBondContact O-CB 3.28Å; E216-V237 PolarHBondContact O-N 2.92Å; I218-V237 HydrophobicContact CD1-CG2 4.08Å; I218-V237 HydrophobicContact CG1-CG2 3.82Å; T235-V237 PolarHBondContact O-N 3.08Å; T235-V237 VanDerWaalsContact O-N 3.14Å; V237-N239 PolarHBondContact O-N 3.24Å; V237-N239 VanDerWaalsContact O-N 3.08Å; V237-Y240 WeakPolarHBondContact O-CA 3.23Å; V237-Y240 PolarHBondContact O-N 2.93Å; V237-V241 PolarHBondContact O-N 3Å; V237-I244 HydrophobicContact CG1-CD1 4.29Å
238	R	96.9	Very high	93.4	Very high	55 Å²	55	40.9 Å²	40.9	21%	0.208	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-54.6	-27.4	178.5	55.6	172.4	63.5	-148.6	0.9	114.7	P134 P139 E216 K236 Y240	P134-R238 HydrophobicContact CB-CB 3.86Å; P134-R238 HydrophobicContact CG-CB 3.88Å; P139-R238 PolarHBondContact O-NH2 2.83Å; E216-R238 VanDerWaalsContact CD-NH2 3.32Å; E216-R238 IonicContact OE1-CZ 3.63Å; E216-R238 IonicContact OE1-NE 2.75Å; E216-R238 IonicContact OE1-NH2 2.79Å; E216-R238 PolarHBondContact OE1-NH2 2.91Å; E216-R238 IonicContact OE2-CZ 2.98Å; E216-R238 IonicContact OE2-NE 3.85Å; E216-R238 PolarHBondContact OE2-NE 2.88Å; E216-R238 IonicContact OE2-NH2 3.93Å; E216-R238 PolarHBondContact OE2-NH2 3.31Å; K236-R238 VanDerWaalsContact C-N 3.32Å; K236-R238 HydrophobicContact CD-CG 3.83Å; K236-R238 HydrophobicContact CG-CG 3.5Å; K236-R238 PolarHBondContact O-N 3.07Å; R238-Y240 VanDerWaalsContact C-N 3.27Å; R238-Y240 PolarHBondContact O-N 2.73Å
239	N	97.3	Very high	94.6	Very high	66 Å²	66	45.6 Å²	45.6	35%	0.353	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-74.6	-19.1	176	-69.3	25	0	0	0	112.6	E186 N187 K236 V237	E186-N239 PolarHBondContact O-ND2 2.95Å; N187-N239 PolarHBondContact OD1-ND2 3.3Å; K236-N239 WeakPolarHBondContact CD-OD1 3.36Å; K236-N239 PolarHBondContact O-N 3.02Å; K236-N239 VanDerWaalsContact O-N 3.14Å; V237-N239 PolarHBondContact O-N 3.24Å; V237-N239 VanDerWaalsContact O-N 3.08Å
240	Y	98.4	Very high	95.5	Very high	6 Å²	6	40.6 Å²	40.6	2%	0.024	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-6.5	-174	-63	-77.3	0	0	0	114.1	H102 N111 I113 N187 T235 K236 V237 R238 P242 W243 I244	H102-Y240 AromaticContact CD2-CE1 3.75Å; N111-Y240 VanDerWaalsContact CA-OH 3.28Å; N111-Y240 WeakPolarHBondContact CA-OH 3.43Å; N111-Y240 HydrophobicContact CB-CE1 4.41Å; N111-Y240 PolarHBondContact OD1-OH 3.3Å; I113-Y240 HydrophobicContact CD1-CD2 4.31Å; I113-Y240 HydrophobicContact CD1-CG 4Å; I113-Y240 HydrophobicContact CG2-CD1 3.82Å; I113-Y240 HydrophobicContact CG2-CD2 4.31Å; I113-Y240 HydrophobicContact CG2-CE1 3.9Å; I113-Y240 HydrophobicContact CG2-CE2 4.39Å; I113-Y240 HydrophobicContact CG2-CG 4.03Å; N187-Y240 HydrophobicContact CB-CE2 4.26Å; N187-Y240 VanDerWaalsContact CB-OH 3.23Å; N187-Y240 WeakPolarHBondContact CB-OH 3.32Å; N187-Y240 VanDerWaalsContact CG-OH 3.25Å; N187-Y240 PolarHBondContact ND2-OH 2.82Å; N187-Y240 VanDerWaalsContact ND2-OH 3.07Å; T235-Y240 HydrophobicContact CG2-CD2 3.95Å; T235-Y240 HydrophobicContact CG2-CE2 3.41Å; T235-Y240 VanDerWaalsContact CG2-CE2 3.41Å; K236-Y240 WeakPolarHBondContact O-CD2 3.29Å; V237-Y240 WeakPolarHBondContact O-CA 3.23Å; V237-Y240 PolarHBondContact O-N 2.93Å; R238-Y240 VanDerWaalsContact C-N 3.27Å; R238-Y240 PolarHBondContact O-N 2.73Å; Y240-P242 VanDerWaalsContact C-CD 3.47Å; Y240-P242 VanDerWaalsContact C-N 3.32Å; Y240-W243 WeakPolarHBondContact O-CA 3.39Å; Y240-W243 WeakPolarHBondContact O-CB 3.4Å; Y240-W243 PolarHBondContact O-N 3.17Å; Y240-I244 WeakPolarHBondContact O-CG1 3.4Å; Y240-I244 PolarHBondContact O-N 3.38Å
241	V	98.3	Very high	95.7	Very high	26 Å²	26	43 Å²	43	16%	0.158	22%	0.224	C	C	.	.	H	α-helix	trans	-49.5	-44.7	178.4	176.6	0	0	0	0	112.8	L133 P134 V237 W243 I244 S245	L133-V241 HydrophobicContact CB-CG2 4.31Å; P134-V241 HydrophobicContact CB-CG2 4.42Å; P134-V241 HydrophobicContact CG-CG2 4.38Å; V237-V241 PolarHBondContact O-N 3Å; V241-W243 VanDerWaalsContact C-N 3.3Å; V241-W243 PolarHBondContact O-N 3.03Å; V241-I244 PolarHBondContact O-N 3.09Å; V241-S245 WeakPolarHBondContact O-CB 2.97Å; V241-S245 PolarHBondContact O-N 2.82Å; V241-S245 PolarHBondContact O-OG 3.5Å; V241-S245 VanDerWaalsContact O-OG 3.13Å
242	P	97.9	Very high	96.2	Very high	99 Å²	99	45 Å²	45	64%	0.643	23%	0.234	S	C	*	.	H	α-helix	trans	-62.7	-33.6	176.6	-23.4	35.5	0	0	0	113.8	Y240 Y246	Y240-P242 VanDerWaalsContact C-CD 3.47Å; Y240-P242 VanDerWaalsContact C-N 3.32Å; P242-Y246 VanDerWaalsContact O-CB 3.23Å; P242-Y246 WeakPolarHBondContact O-CB 3.44Å; P242-Y246 PolarHBondContact O-N 2.95Å
243	W	98.4	Very high	96.5	Very high	41 Å²	41	47.3 Å²	47.3	16%	0.155	25%	0.246	C	C	.	.	H	α-helix	trans	-75.3	-43.7	176.6	170.8	75.4	0	0	0	111.9	H102 I113 L115 Y240 V241 Y246 I247	H102-W243 HydrophobicContact CB-CD2 4.01Å; H102-W243 HydrophobicContact CB-CE3 4.18Å; H102-W243 HydrophobicContact CB-CH2 3.95Å; H102-W243 HydrophobicContact CB-CZ2 3.75Å; H102-W243 HydrophobicContact CB-CZ3 4.16Å; H102-W243 AromaticContact CE1-CD1 3.8Å; H102-W243 AromaticContact CE1-CG 3.83Å; H102-W243 AromaticContact CG-CD2 4Å; H102-W243 AromaticContact ND1-CD1 3.17Å; H102-W243 AromaticContact ND1-CD2 3.33Å; H102-W243 VanDerWaalsContact ND1-CD2 3.33Å; H102-W243 AromaticContact ND1-CE2 3.46Å; H102-W243 AromaticContact ND1-CG 3.16Å; H102-W243 AromaticContact ND1-NE1 3.31Å; H102-W243 PolarHBondContact ND1-NE1 2.9Å; I113-W243 HydrophobicContact CD1-CE3 4.39Å; I113-W243 HydrophobicContact CD1-CZ3 3.96Å; I113-W243 HydrophobicContact CG1-CZ3 3.97Å; I113-W243 HydrophobicContact CG2-CZ3 4.31Å; L115-W243 HydrophobicContact CB-CH2 3.82Å; L115-W243 HydrophobicContact CB-CZ3 4.17Å; Y240-W243 WeakPolarHBondContact O-CA 3.39Å; Y240-W243 WeakPolarHBondContact O-CB 3.4Å; Y240-W243 PolarHBondContact O-N 3.17Å; V241-W243 VanDerWaalsContact C-N 3.3Å; V241-W243 PolarHBondContact O-N 3.03Å; W243-Y246 PolarHBondContact O-N 3.32Å; W243-I247 HydrophobicContact CD2-CG1 4.49Å; W243-I247 HydrophobicContact CZ2-CG1 4.26Å; W243-I247 WeakPolarHBondContact O-CG1 3.05Å; W243-I247 PolarHBondContact O-N 3.03Å
244	I	98.6	Very high	96.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-56.8	-53.2	175.1	-64.4	166.3	0	0	0	109.2	V63 I113 L115 L133 V237 Y240 V241 Y246 I247 M248	V63-I244 HydrophobicContact CG2-CD1 4.23Å; I113-I244 HydrophobicContact CD1-CD1 4.08Å; I113-I244 HydrophobicContact CD1-CG1 4.36Å; L115-I244 HydrophobicContact CD1-CG2 4.23Å; L133-I244 HydrophobicContact CD1-CG2 3.81Å; L133-I244 HydrophobicContact CD2-CD1 3.97Å; V237-I244 HydrophobicContact CG1-CD1 4.29Å; Y240-I244 WeakPolarHBondContact O-CG1 3.4Å; Y240-I244 PolarHBondContact O-N 3.38Å; V241-I244 PolarHBondContact O-N 3.09Å; I244-Y246 VanDerWaalsContact C-N 3.34Å; I244-Y246 PolarHBondContact O-N 2.76Å; I244-I247 PolarHBondContact O-N 3.48Å; I244-M248 HydrophobicContact CG2-CG 4.35Å; I244-M248 HydrophobicContact CG2-SD 3.53Å; I244-M248 VanDerWaalsContact CG2-SD 3.53Å; I244-M248 WeakPolarHBondContact O-CB 3.38Å; I244-M248 VanDerWaalsContact O-CG 3.27Å; I244-M248 WeakPolarHBondContact O-CG 3.34Å; I244-M248 PolarHBondContact O-N 2.88Å
245	S	97.8	Very high	96.7	Very high	47 Å²	47	52.8 Å²	52.8	33%	0.329	27%	0.274	S	S	.	.	H	α-helix	trans	-61.9	-37	177.6	-63.5	0	0	0	0	113	V241 N249	V241-S245 WeakPolarHBondContact O-CB 2.97Å; V241-S245 PolarHBondContact O-N 2.82Å; V241-S245 PolarHBondContact O-OG 3.5Å; V241-S245 VanDerWaalsContact O-OG 3.13Å; S245-N249 WeakPolarHBondContact O-CB 3.37Å; S245-N249 PolarHBondContact O-N 3.22Å; S245-N249 PolarHBondContact O-ND2 3.49Å
246	Y	98.1	Very high	96.6	Very high	160 Å²	160	56 Å²	56	63%	0.627	29%	0.291	S	S	*	.	H	α-helix	trans	-62.2	-50.2	175.3	173.5	-102.7	0	0	0	111.5	P242 W243 I244 N249 S250	P242-Y246 VanDerWaalsContact O-CB 3.23Å; P242-Y246 WeakPolarHBondContact O-CB 3.44Å; P242-Y246 PolarHBondContact O-N 2.95Å; W243-Y246 PolarHBondContact O-N 3.32Å; I244-Y246 VanDerWaalsContact C-N 3.34Å; I244-Y246 PolarHBondContact O-N 2.76Å; Y246-N249 PolarHBondContact O-N 3.02Å; Y246-S250 WeakPolarHBondContact O-CB 3.46Å; Y246-S250 PolarHBondContact O-N 2.67Å; Y246-S250 PolarHBondContact O-OG 3.07Å
247	I	98.2	Very high	96.5	Very high	11 Å²	11	56.7 Å²	56.7	6%	0.056	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-48.3	179.6	-61.3	-58.9	0	0	0	110.7	W61 Y100 L115 W243 I244 N249 S250	W61-I247 HydrophobicContact CH2-CG2 3.87Å; W61-I247 HydrophobicContact CZ3-CG2 4.01Å; Y100-I247 HydrophobicContact CD1-CD1 3.71Å; Y100-I247 HydrophobicContact CD1-CG1 4.28Å; Y100-I247 HydrophobicContact CD1-CG2 3.87Å; Y100-I247 HydrophobicContact CD2-CG2 3.54Å; Y100-I247 HydrophobicContact CE1-CD1 3.85Å; Y100-I247 HydrophobicContact CE1-CG2 3.84Å; Y100-I247 HydrophobicContact CE2-CG2 3.53Å; Y100-I247 HydrophobicContact CG-CD1 4.39Å; Y100-I247 HydrophobicContact CG-CG1 4.48Å; Y100-I247 HydrophobicContact CG-CG2 3.68Å; L115-I247 HydrophobicContact CD2-CB 3.89Å; L115-I247 HydrophobicContact CD2-CG2 3.72Å; W243-I247 HydrophobicContact CD2-CG1 4.49Å; W243-I247 HydrophobicContact CZ2-CG1 4.26Å; W243-I247 WeakPolarHBondContact O-CG1 3.05Å; W243-I247 PolarHBondContact O-N 3.03Å; I244-I247 PolarHBondContact O-N 3.48Å; I247-N249 PolarHBondContact O-N 3.19Å; I247-N249 VanDerWaalsContact O-N 3.13Å; I247-S250 WeakPolarHBondContact CA-OG 3.33Å; I247-S250 PolarHBondContact O-N 2.98Å; I247-S250 PolarHBondContact O-OG 3.1Å; I247-S250 VanDerWaalsContact O-OG 3.09Å
248	M	97.5	Very high	96.4	Very high	43 Å²	43	60.7 Å²	60.7	21%	0.212	32%	0.318	C	S	.	.	H	α-helix	trans	-58.8	-25.5	-179.6	-72.3	175.2	55.1	0	0	114.7	V57 D58 W61 L115 I244	V57-M248 HydrophobicContact CG2-SD 4.21Å; D58-M248 HydrophobicContact CB-CE 3.46Å; D58-M248 VanDerWaalsContact CB-CE 3.46Å; W61-M248 HydrophobicContact CB-CG 4.34Å; W61-M248 HydrophobicContact CB-SD 4.36Å; W61-M248 HydrophobicContact CD2-CG 3.84Å; W61-M248 HydrophobicContact CE3-CG 4.49Å; W61-M248 HydrophobicContact CG-CE 4.42Å; W61-M248 HydrophobicContact CG-CG 3.77Å; W61-M248 HydrophobicContact CG-SD 4.34Å; W61-M248 HydrophobicContact CZ2-CG 4.5Å; L115-M248 HydrophobicContact CD2-CG 3.96Å; I244-M248 HydrophobicContact CG2-CG 4.35Å; I244-M248 HydrophobicContact CG2-SD 3.53Å; I244-M248 VanDerWaalsContact CG2-SD 3.53Å; I244-M248 WeakPolarHBondContact O-CB 3.38Å; I244-M248 VanDerWaalsContact O-CG 3.27Å; I244-M248 WeakPolarHBondContact O-CG 3.34Å; I244-M248 PolarHBondContact O-N 2.88Å
249	N	96.1	Very high	96.4	Very high	143 Å²	143	61.2 Å²	61.2	77%	0.765	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	6.5	178.9	-71.5	-75.9	0	0	0	113.6	S245 Y246 I247	S245-N249 WeakPolarHBondContact O-CB 3.37Å; S245-N249 PolarHBondContact O-N 3.22Å; S245-N249 PolarHBondContact O-ND2 3.49Å; Y246-N249 PolarHBondContact O-N 3.02Å; I247-N249 PolarHBondContact O-N 3.19Å; I247-N249 VanDerWaalsContact O-N 3.13Å
250	S	91.2	Very high	96.3	Very high	64 Å²	64	60.8 Å²	60.8	45%	0.448	32%	0.324	S	S	.	.			trans	-125.5	6.1	-174.5	68.1	0	0	0	0	115.2	Y246 I247	Y246-S250 WeakPolarHBondContact O-CB 3.46Å; Y246-S250 PolarHBondContact O-N 2.67Å; Y246-S250 PolarHBondContact O-OG 3.07Å; I247-S250 WeakPolarHBondContact CA-OG 3.33Å; I247-S250 PolarHBondContact O-N 2.98Å; I247-S250 PolarHBondContact O-OG 3.1Å; I247-S250 VanDerWaalsContact O-OG 3.09Å
251	D	84.9	Confident	96.1	Very high	89 Å²	89	65.7 Å²	65.7	48%	0.476	35%	0.352	S	S	.	.			trans	-139.9	0	-179.8	-168.5	-98.5	0	0	0	113.4	W61 K98 Y100 K117	W61-D251 HydrophobicContact CH2-CB 4.16Å; W61-D251 HydrophobicContact CZ2-CB 4.35Å; K98-D251 WeakPolarHBondContact CD-OD2 3.38Å; K98-D251 IonicContact NZ-OD2 2.66Å; K98-D251 PolarHBondContact NZ-OD2 2.96Å; Y100-D251 WeakPolarHBondContact OH-CB 3.46Å; Y100-D251 VanDerWaalsContact OH-CG 3.28Å; Y100-D251 PolarHBondContact OH-OD2 3.46Å; K117-D251 WeakPolarHBondContact CD-OD1 3.33Å; K117-D251 WeakPolarHBondContact CE-OD1 3.4Å; K117-D251 PolarHBondContact NZ-O 2.96Å; K117-D251 IonicContact NZ-OD1 3.29Å; K117-D251 PolarHBondContact NZ-OD1 2.93Å; K117-D251 PolarHBondContact NZ-OXT 3.49Å

Retrieved 251 of 251 residues in 122.3 ms (Link to these results)

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