A0A077Z7X3_TRITR Loading...

Fucosyltransferase

AlphaFold DB , UniProt , Accession A0A077Z7X3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 353 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	37.7	Very low	33.7	Very low	248 Å²	248	151.6 Å²	151.6	100%	1.222	81%	0.811	S	S	*	*				0	95.8	0	-74.2	176	171.8	0	0	108.4
2	S	35.9	Very low	33.5	Very low	122 Å²	122	150.8 Å²	150.8	85%	0.853	82%	0.815	S	S	*	*			trans	-88.1	111.6	-179.6	170.6	0	0	0	0	108.9	S4	S2-S4 PolarHBondContact O-N 2.92Å
3	K	36.6	Very low	33.4	Very low	205 Å²	205	141.8 Å²	141.8	89%	0.891	78%	0.78	S	S	*	*			trans	-80.3	106.4	172.2	-83.8	-177.9	176.3	178.4	0	108.5	S5	K3-S5 PolarHBondContact O-N 3.38Å
4	S	35.9	Very low	33.5	Very low	101 Å²	101	141.8 Å²	141.8	71%	0.706	79%	0.785	S	S	*	*			trans	-49.7	120.7	168.8	166.8	0	0	0	0	111.8	S2 R6	S2-S4 PolarHBondContact O-N 2.92Å; S4-R6 PolarHBondContact O-N 3.05Å
5	S	36.1	Very low	33.9	Very low	102 Å²	102	141.1 Å²	141.1	71%	0.713	77%	0.774	S	S	*	*			trans	-71.4	107.9	161.8	56.6	0	0	0	0	108.4	K3 N7	K3-S5 PolarHBondContact O-N 3.38Å; S5-N7 PolarHBondContact O-N 2.61Å
6	R	35.2	Very low	34	Very low	228 Å²	228	143.2 Å²	143.2	86%	0.86	78%	0.776	S	S	*	*			trans	-67.7	96.9	169.2	-75	-176.5	-175.6	-177.4	1.6	108.8	S4 Q8	S4-R6 PolarHBondContact O-N 3.05Å; R6-Q8 PolarHBondContact O-N 2.92Å
7	N	30.4	Very low	34.7	Very low	153 Å²	153	138.1 Å²	138.1	82%	0.818	75%	0.745	S	S	*	*			trans	-61.1	100.9	157.9	-94.2	-13.3	0	0	0	107.5	S5 G9	S5-N7 PolarHBondContact O-N 2.61Å; N7-G9 VanDerWaalsContact C-N 3.29Å; N7-G9 PolarHBondContact O-N 3.23Å
8	Q	32.9	Very low	35.5	Very low	182 Å²	182	136.2 Å²	136.2	85%	0.85	74%	0.735	S	S	*	*			trans	-69.7	94.6	164.3	-71.4	-172.3	-2.3	0	0	107.3	R6	R6-Q8 PolarHBondContact O-N 2.92Å
9	G	29.8	Very low	36.9	Very low	60 Å²	60	136.3 Å²	136.3	62%	0.619	74%	0.735	S	S	*	*			trans	-61.9	133.4	174.2	0	0	0	0	0	110.7	N7 T11	N7-G9 VanDerWaalsContact C-N 3.29Å; N7-G9 PolarHBondContact O-N 3.23Å; G9-T11 PolarHBondContact O-N 2.82Å
10	F	30.9	Very low	38.8	Very low	146 Å²	146	132.5 Å²	132.5	64%	0.64	71%	0.712	S	S	*	*			trans	-58.3	96.9	170.1	-80.1	-100.3	0	0	0	109.7	T12	F10-T12 PolarHBondContact O-N 3.39Å
11	T	29.2	Very low	40.8	Very low	121 Å²	121	126.1 Å²	126.1	74%	0.742	68%	0.678	S	S	*	*			trans	-76.2	107.2	164.6	41.3	0	0	0	0	107.7	G9 G13	G9-T11 PolarHBondContact O-N 2.82Å; T11-G13 PolarHBondContact O-N 2.78Å
12	T	31.3	Very low	43.1	Very low	141 Å²	141	116.6 Å²	116.6	87%	0.865	63%	0.632	S	S	*	*			trans	-70.4	58.9	155.9	54.3	0	0	0	0	108.2	F10 V14	F10-T12 PolarHBondContact O-N 3.39Å; T12-V14 PolarHBondContact O-N 3.46Å; T12-V14 VanDerWaalsContact O-N 3.14Å
13	G	32.4	Very low	45.8	Very low	35 Å²	35	113.6 Å²	113.6	36%	0.361	60%	0.604	S	S	.	*			trans	-70.3	106.3	168.3	0	0	0	0	0	106.3	T11 H15	T11-G13 PolarHBondContact O-N 2.78Å; G13-H15 PolarHBondContact O-N 3.36Å
14	V	35	Very low	48.6	Very low	141 Å²	141	103.9 Å²	103.9	86%	0.855	56%	0.561	S	S	*	*			trans	-61.8	81.4	152.8	-179.9	0	0	0	0	104.7	T12 Q16	T12-V14 PolarHBondContact O-N 3.46Å; T12-V14 VanDerWaalsContact O-N 3.14Å; V14-Q16 VanDerWaalsContact C-N 3.34Å; V14-Q16 PolarHBondContact O-N 3.21Å
15	H	39	Very low	51.3	Low	132 Å²	132	100.9 Å²	100.9	61%	0.611	54%	0.536	S	S	*	.			trans	-56.6	108.5	166	-83.2	-74.3	0	0	0	104.6	G13 K17	G13-H15 PolarHBondContact O-N 3.36Å; H15-K17 PolarHBondContact O-N 2.01Å
16	Q	35.7	Very low	53.9	Low	174 Å²	174	100.4 Å²	100.4	81%	0.813	52%	0.522	S	S	*	.			trans	-47.8	111.7	162.9	-76.2	173.1	-22.2	0	0	105.4	V14 N18	V14-Q16 VanDerWaalsContact C-N 3.34Å; V14-Q16 PolarHBondContact O-N 3.21Å; Q16-N18 PolarHBondContact O-N 2.88Å
17	K	45.7	Very low	56.7	Low	57 Å²	57	90.9 Å²	90.9	25%	0.248	49%	0.487	C	S	.	.			trans	-59.6	117.8	175.1	-77.9	-171.7	170.4	-149.8	0	106.5	H15 Y143 R260	H15-K17 PolarHBondContact O-N 2.01Å; K17-Y143 PolarHBondContact NZ-O 3.39Å; K17-R260 PolarHBondContact NZ-O 2.94Å
18	N	49.1	Very low	59.6	Low	104 Å²	104	85.4 Å²	85.4	56%	0.556	46%	0.458	S	S	*	.			trans	-60.9	156	178.5	-81	-15.5	0	0	0	111.7	Q16 E20 T21	Q16-N18 PolarHBondContact O-N 2.88Å; N18-E20 PolarHBondContact O-N 2.73Å; N18-T21 PolarHBondContact O-N 3.15Å
19	N	62	Low	62	Low	138 Å²	138	86.4 Å²	86.4	74%	0.738	45%	0.454	S	S	*	.	H	α-helix	trans	-39.6	-22.5	-175.1	-71.3	-6.2	0	0	0	118.2	D22	N19-D22 WeakPolarHBondContact CA-OD2 3.12Å; N19-D22 WeakPolarHBondContact O-CB 3.05Å; N19-D22 PolarHBondContact O-N 2.97Å
20	E	75.1	Confident	64.2	Low	59 Å²	59	90.9 Å²	90.9	28%	0.276	46%	0.456	S	S	.	.	H	α-helix	trans	-74.1	-44.9	-172.2	-68	170.1	131.1	0	0	112.8	N18 D22 K23 L132 H231 R260	N18-E20 PolarHBondContact O-N 2.73Å; E20-D22 PolarHBondContact O-N 2.49Å; E20-K23 PolarHBondContact O-N 3.3Å; E20-L132 HydrophobicContact CB-CB 3.96Å; E20-L132 HydrophobicContact CB-CD1 4.35Å; E20-H231 IonicContact OE1-CE1 3.27Å; E20-H231 IonicContact OE1-NE2 3.84Å; E20-H231 IonicContact OE2-NE2 2.69Å; E20-R260 IonicContact OE2-CZ 3.48Å; E20-R260 IonicContact OE2-NE 3.71Å; E20-R260 PolarHBondContact OE2-NE 3.06Å; E20-R260 IonicContact OE2-NH2 3.12Å; E20-R260 PolarHBondContact OE2-NH2 3.24Å
21	T	81.1	Confident	65.9	Low	0 Å²	0	85.1 Å²	85.1	0%	0	43%	0.432	C	S	.	.	H	α-helix	trans	-70.1	-20.7	173.3	50.2	0	0	0	0	112.4	N18 K23 I24 F25 L132 L142 R260 L261	N18-T21 PolarHBondContact O-N 3.15Å; T21-K23 PolarHBondContact O-N 3.13Å; T21-I24 PolarHBondContact O-N 3.35Å; T21-I24 VanDerWaalsContact O-N 3.16Å; T21-F25 VanDerWaalsContact O-CD2 3.3Å; T21-F25 WeakPolarHBondContact O-CD2 3.49Å; T21-F25 PolarHBondContact O-N 3.41Å; T21-L132 HydrophobicContact CG2-CD1 3.87Å; T21-L142 HydrophobicContact CG2-CD1 4.29Å; T21-R260 HydrophobicContact CG2-CB 3.95Å; T21-L261 HydrophobicContact CG2-CD2 4.21Å
22	D	85.4	Confident	67.5	Low	48 Å²	48	81.6 Å²	81.6	26%	0.257	41%	0.413	S	S	.	.	H	α-helix	trans	-62.3	-29.3	178.4	-65.1	-20.1	0	0	0	111.4	N19 E20 I24 F25 Q26	N19-D22 WeakPolarHBondContact CA-OD2 3.12Å; N19-D22 WeakPolarHBondContact O-CB 3.05Å; N19-D22 PolarHBondContact O-N 2.97Å; E20-D22 PolarHBondContact O-N 2.49Å; D22-I24 VanDerWaalsContact C-N 3.31Å; D22-I24 PolarHBondContact O-N 3.34Å; D22-F25 CarbonylContact O-C 3.59Å; D22-F25 PolarHBondContact O-N 3.23Å; D22-F25 VanDerWaalsContact O-N 3.15Å; D22-Q26 VanDerWaalsContact O-CB 3.27Å; D22-Q26 WeakPolarHBondContact O-CB 3.19Å; D22-Q26 WeakPolarHBondContact O-CG 3.44Å; D22-Q26 PolarHBondContact O-N 2.79Å
23	K	93	Very high	69	Low	59 Å²	59	81.4 Å²	81.4	26%	0.257	41%	0.407	S	S	.	.	H	α-helix	trans	-55.7	-44.7	174.8	-172.1	-178.2	-63.9	-177.5	0	112	E20 T21 Q26 Q27 D133 S134 P137	E20-K23 PolarHBondContact O-N 3.3Å; T21-K23 PolarHBondContact O-N 3.13Å; K23-Q26 PolarHBondContact O-N 3.31Å; K23-Q27 WeakPolarHBondContact O-CB 3.41Å; K23-Q27 WeakPolarHBondContact O-CG 3.49Å; K23-Q27 PolarHBondContact O-N 3.21Å; K23-D133 PolarHBondContact NZ-O 3.27Å; K23-S134 WeakPolarHBondContact CD-O 3.4Å; K23-S134 PolarHBondContact NZ-O 2.96Å; K23-P137 HydrophobicContact CD-CG 3.89Å
24	I	95	Very high	70.5	Confident	0 Å²	0	82.3 Å²	82.3	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-62.8	-47.9	177.8	-60.4	173.2	0	0	0	109.9	T21 D22 Q27 L28 L132 P137 P139 L142 T308	T21-I24 PolarHBondContact O-N 3.35Å; T21-I24 VanDerWaalsContact O-N 3.16Å; D22-I24 VanDerWaalsContact C-N 3.31Å; D22-I24 PolarHBondContact O-N 3.34Å; I24-Q27 PolarHBondContact O-N 3.43Å; I24-L28 HydrophobicContact CG2-CD1 4.09Å; I24-L28 VanDerWaalsContact O-CG 3.28Å; I24-L28 WeakPolarHBondContact O-CG 3.45Å; I24-L28 PolarHBondContact O-N 2.86Å; I24-L132 HydrophobicContact CD1-CD2 4.33Å; I24-P137 HydrophobicContact CD1-CB 4.08Å; I24-P137 HydrophobicContact CG1-CB 3.97Å; I24-P137 HydrophobicContact CG1-CG 4.29Å; I24-P139 HydrophobicContact CD1-CG 3.71Å; I24-L142 HydrophobicContact CD1-CD2 4.12Å; I24-L142 HydrophobicContact CG2-CD2 4.1Å; I24-T308 HydrophobicContact CG2-CG2 4.22Å
25	F	93.2	Very high	72	Confident	39 Å²	39	79.1 Å²	79.1	17%	0.171	39%	0.391	C	S	.	.	H	α-helix	trans	-68.3	-35.9	-179.1	-67.2	-66	0	0	0	113.1	T21 D22 L28 R29 L142 K144 V306	T21-F25 VanDerWaalsContact O-CD2 3.3Å; T21-F25 WeakPolarHBondContact O-CD2 3.49Å; T21-F25 PolarHBondContact O-N 3.41Å; D22-F25 CarbonylContact O-C 3.59Å; D22-F25 PolarHBondContact O-N 3.23Å; D22-F25 VanDerWaalsContact O-N 3.15Å; F25-L28 HydrophobicContact CD1-CD1 4.49Å; F25-L28 PolarHBondContact O-N 3.02Å; F25-R29 VanDerWaalsContact O-CG 3.31Å; F25-R29 WeakPolarHBondContact O-CG 3.34Å; F25-R29 PolarHBondContact O-N 2.89Å; F25-L142 HydrophobicContact CE1-CD2 4.34Å; F25-L142 HydrophobicContact CE2-CD2 4.12Å; F25-L142 HydrophobicContact CZ-CD2 3.76Å; F25-L142 HydrophobicContact CZ-CG 4.29Å; F25-K144 HydrophobicContact CE1-CB 4.48Å; F25-K144 HydrophobicContact CE1-CD 4.23Å; F25-K144 HydrophobicContact CZ-CB 4.12Å; F25-V306 HydrophobicContact CE1-CG1 4.08Å; F25-V306 HydrophobicContact CE1-CG2 4.08Å; F25-V306 HydrophobicContact CZ-CG2 4.19Å
26	Q	91.7	Very high	73.5	Confident	92 Å²	92	76 Å²	76	43%	0.43	38%	0.382	S	S	.	.	H	α-helix	trans	-62.3	-52.4	173.4	-74.1	170.2	13.6	0	0	109.6	D22 K23 L28 R29 F30	D22-Q26 VanDerWaalsContact O-CB 3.27Å; D22-Q26 WeakPolarHBondContact O-CB 3.19Å; D22-Q26 WeakPolarHBondContact O-CG 3.44Å; D22-Q26 PolarHBondContact O-N 2.79Å; K23-Q26 PolarHBondContact O-N 3.31Å; Q26-L28 PolarHBondContact O-N 3.05Å; Q26-R29 WeakPolarHBondContact O-CA 3.19Å; Q26-R29 WeakPolarHBondContact O-CB 3.33Å; Q26-R29 PolarHBondContact O-N 3.1Å; Q26-F30 HydrophobicContact CB-CD2 4.27Å; Q26-F30 HydrophobicContact CB-CE2 4.2Å; Q26-F30 WeakPolarHBondContact O-CD2 3.3Å; Q26-F30 PolarHBondContact O-N 2.96Å
27	Q	92.7	Very high	75.3	Confident	27 Å²	27	73.1 Å²	73.1	13%	0.126	39%	0.387	C	S	.	.	H	α-helix	trans	-58.7	-35.7	177.3	-71.2	169.1	-14.7	0	0	112.6	K23 I24 R29 F30 D135 R313 M317	K23-Q27 WeakPolarHBondContact O-CB 3.41Å; K23-Q27 WeakPolarHBondContact O-CG 3.49Å; K23-Q27 PolarHBondContact O-N 3.21Å; I24-Q27 PolarHBondContact O-N 3.43Å; Q27-R29 VanDerWaalsContact C-N 3.34Å; Q27-F30 PolarHBondContact O-N 3.07Å; Q27-D135 PolarHBondContact NE2-O 2.82Å; Q27-R313 HydrophobicContact CB-CB 4.36Å; Q27-R313 HydrophobicContact CB-CG 3.84Å; Q27-M317 HydrophobicContact CG-SD 4.28Å; Q27-M317 PolarHBondContact NE2-SD 3.4Å; Q27-M317 VanDerWaalsContact NE2-SD 3.44Å
28	L	90.8	Very high	77.3	Confident	38 Å²	38	76.4 Å²	76.4	20%	0.199	40%	0.404	C	S	.	.	H	α-helix	trans	-68.2	-29.4	173.3	-73.1	172.2	0	0	0	113.6	I24 F25 Q26 L31 V306 R309 R313	I24-L28 HydrophobicContact CG2-CD1 4.09Å; I24-L28 VanDerWaalsContact O-CG 3.28Å; I24-L28 WeakPolarHBondContact O-CG 3.45Å; I24-L28 PolarHBondContact O-N 2.86Å; F25-L28 HydrophobicContact CD1-CD1 4.49Å; F25-L28 PolarHBondContact O-N 3.02Å; Q26-L28 PolarHBondContact O-N 3.05Å; L28-L31 WeakPolarHBondContact O-CD1 3Å; L28-L31 WeakPolarHBondContact O-CG 3.49Å; L28-V306 HydrophobicContact CD1-CG1 4.25Å; L28-R309 HydrophobicContact CD2-CB 3.82Å; L28-R309 HydrophobicContact CD2-CG 3.99Å; L28-R313 HydrophobicContact CD2-CG 4.19Å
29	R	85.1	Confident	79.4	Confident	204 Å²	204	77.3 Å²	77.3	77%	0.77	40%	0.404	S	S	*	.	H	α-helix	trans	-79.1	-32.1	174.9	-70.7	171.7	-171.6	173.3	4.5	112.3	F25 Q26 Q27 L31	F25-R29 VanDerWaalsContact O-CG 3.31Å; F25-R29 WeakPolarHBondContact O-CG 3.34Å; F25-R29 PolarHBondContact O-N 2.89Å; Q26-R29 WeakPolarHBondContact O-CA 3.19Å; Q26-R29 WeakPolarHBondContact O-CB 3.33Å; Q26-R29 PolarHBondContact O-N 3.1Å; Q27-R29 VanDerWaalsContact C-N 3.34Å; R29-L31 PolarHBondContact O-N 3.27Å
30	F	74.9	Confident	80.9	Confident	153 Å²	153	71.3 Å²	71.3	67%	0.671	37%	0.372	S	S	*	.			trans	-85.6	21.2	178.6	-69.2	-69	0	0	0	113.6	Q26 Q27 S32	Q26-F30 HydrophobicContact CB-CD2 4.27Å; Q26-F30 HydrophobicContact CB-CE2 4.2Å; Q26-F30 WeakPolarHBondContact O-CD2 3.3Å; Q26-F30 PolarHBondContact O-N 2.96Å; Q27-F30 PolarHBondContact O-N 3.07Å; F30-S32 PolarHBondContact O-N 3.41Å
31	L	67.4	Low	81.8	Confident	25 Å²	25	69.2 Å²	69.2	13%	0.131	36%	0.363	C	S	.	.			trans	-68.8	72.7	162.8	-59.8	175.4	0	0	0	108	L28 R29 P65 C312 A316	L28-L31 WeakPolarHBondContact O-CD1 3Å; L28-L31 WeakPolarHBondContact O-CG 3.49Å; R29-L31 PolarHBondContact O-N 3.27Å; L31-P65 HydrophobicContact CB-CB 4.27Å; L31-P65 HydrophobicContact CB-CG 4.01Å; L31-P65 HydrophobicContact CD1-CG 4.11Å; L31-C312 HydrophobicContact CD1-CB 4.48Å; L31-C312 HydrophobicContact CD2-CB 4Å; L31-A316 HydrophobicContact CD2-CB 3.9Å
32	S	62.1	Low	82.5	Confident	48 Å²	48	69.2 Å²	69.2	34%	0.336	36%	0.363	S	S	.	.			trans	-68.1	155.8	177.3	66.4	0	0	0	0	110.1	F30 V66	F30-S32 PolarHBondContact O-N 3.41Å; S32-V66 WeakPolarHBondContact O-CG2 3.1Å
33	N	63	Low	82.9	Confident	137 Å²	137	67.5 Å²	67.5	73%	0.733	35%	0.353	S	S	*	.	S	Bend	trans	-84.7	2.3	172.3	-72.6	-5.7	0	0	0	112.7	T35	N33-T35 PolarHBondContact O-N 2.95Å
34	A	64.4	Low	83	Confident	54 Å²	54	64.7 Å²	64.7	45%	0.446	34%	0.341	S	S	.	.			trans	-78.3	111.4	179	0	0	0	0	0	108.3
35	T	66.1	Low	82.9	Confident	74 Å²	74	66.3 Å²	66.3	45%	0.454	36%	0.355	S	S	.	.			trans	-114.7	144.3	176.8	50.7	0	0	0	0	109.5	N33 V66	N33-T35 PolarHBondContact O-N 2.95Å; T35-V66 HydrophobicContact CG2-CB 4.45Å; T35-V66 HydrophobicContact CG2-CG1 3.92Å; T35-V66 HydrophobicContact CG2-CG2 4.3Å
36	V	70.4	Confident	82.5	Confident	67 Å²	67	66.5 Å²	66.5	41%	0.406	36%	0.358	S	S	.	.			trans	-68.3	138	159.1	-175.3	0	0	0	0	106.5	Q38 N68 N319	V36-Q38 HydrophobicContact CG1-CB 4.31Å; V36-Q38 PolarHBondContact O-N 2.8Å; V36-N68 PolarHBondContact O-ND2 2.9Å; V36-N68 VanDerWaalsContact O-ND2 3.13Å; V36-N319 PolarHBondContact N-OD1 3.13Å
37	A	73.6	Confident	82.1	Confident	112 Å²	112	65.9 Å²	65.9	93%	0.926	37%	0.368	S	S	*	.	S	Bend	trans	-62.8	-15.6	-175.9	0	0	0	0	0	113.8
38	Q	87.6	Confident	81.7	Confident	127 Å²	127	67.7 Å²	67.7	59%	0.593	38%	0.381	S	S	*	.	S	Bend	trans	-85.7	146.5	-178.4	-173.7	173.7	4.3	0	0	111.9	V36 N68	V36-Q38 HydrophobicContact CG1-CB 4.31Å; V36-Q38 PolarHBondContact O-N 2.8Å; Q38-N68 PolarHBondContact O-ND2 3.21Å
39	Q	92	Very high	81.5	Confident	122 Å²	122	65.9 Å²	65.9	57%	0.57	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-75.8	127.2	168.7	-179	170.4	83.5	0	0	110.5	N68 I70	Q39-N68 CarbonylContact C-O 3.57Å; Q39-N68 WeakPolarHBondContact CA-O 3.03Å; Q39-I70 HydrophobicContact CG-CD1 4.27Å; Q39-I70 HydrophobicContact CG-CG1 4.15Å; Q39-I70 VanDerWaalsContact OE1-CD1 3.31Å
40	L	93.9	Very high	81.4	Confident	12 Å²	12	58.4 Å²	58.4	6%	0.063	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	132.1	178.4	-54.7	179.1	0	0	0	110.5	N68 C69 I70 D83 L318	L40-N68 PolarHBondContact N-O 2.87Å; L40-C69 CarbonylContact O-C 3.59Å; L40-C69 VanDerWaalsContact O-CA 3.28Å; L40-C69 WeakPolarHBondContact O-CA 3.48Å; L40-I70 PolarHBondContact O-N 3.49Å; L40-D83 VanDerWaalsContact CA-OD2 3.28Å; L40-D83 WeakPolarHBondContact CA-OD2 3.37Å; L40-D83 HydrophobicContact CB-CB 4.3Å; L40-D83 HydrophobicContact CD2-CB 4.37Å; L40-L318 HydrophobicContact CD1-CB 3.81Å
41	L	94.6	Very high	81.6	Confident	16 Å²	16	61.8 Å²	61.8	8%	0.084	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	126.1	179.1	-167.4	73.9	0	0	0	111.3	I70 T72 L75 P76 F80 P82 D83 A84	L41-I70 HydrophobicContact CD1-CB 4.3Å; L41-I70 HydrophobicContact CD1-CG2 4.24Å; L41-T72 HydrophobicContact CD1-CG2 3.7Å; L41-T72 HydrophobicContact CD2-CG2 4.17Å; L41-T72 HydrophobicContact CG-CG2 4.08Å; L41-L75 HydrophobicContact CD2-CD2 4.3Å; L41-P76 HydrophobicContact CD2-CG 4.14Å; L41-F80 HydrophobicContact CB-CE1 4Å; L41-F80 HydrophobicContact CD2-CD1 3.65Å; L41-F80 HydrophobicContact CD2-CE1 3.3Å; L41-F80 HydrophobicContact CD2-CZ 4.17Å; L41-F80 HydrophobicContact CG-CE1 4.26Å; L41-P82 HydrophobicContact CD2-CB 4.28Å; L41-D83 PolarHBondContact N-OD2 2.71Å; L41-D83 PolarHBondContact O-N 3.2Å; L41-A84 PolarHBondContact O-N 2.94Å; L41-A84 VanDerWaalsContact O-N 3.1Å
42	I	95.4	Very high	82.4	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	112.2	174.3	-56.5	165	0	0	0	108.1	F61 C69 I70 A71 T72 A84 I86 L314 L318	I42-F61 HydrophobicContact CD1-CE1 4.49Å; I42-F61 HydrophobicContact CD1-CE2 4.43Å; I42-F61 HydrophobicContact CD1-CZ 3.72Å; I42-C69 HydrophobicContact CD1-CB 4.03Å; I42-I70 PolarHBondContact N-O 2.98Å; I42-A71 HydrophobicContact CB-CB 4.43Å; I42-A71 WeakPolarHBondContact O-CA 3.27Å; I42-T72 PolarHBondContact O-N 3.12Å; I42-A84 WeakPolarHBondContact CA-O 3.16Å; I42-A84 HydrophobicContact CG1-CB 4.17Å; I42-A84 HydrophobicContact CG2-CB 4.32Å; I42-I86 HydrophobicContact CG2-CD1 3.65Å; I42-I86 HydrophobicContact CG2-CG1 3.79Å; I42-L314 HydrophobicContact CD1-CD2 3.94Å; I42-L314 HydrophobicContact CD1-CG 4.27Å; I42-L318 HydrophobicContact CD1-CD1 3.73Å; I42-L318 HydrophobicContact CG1-CD1 3.66Å
43	L	94.9	Very high	83.7	Confident	11 Å²	11	63 Å²	63	6%	0.058	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	125.6	174.4	-179.4	69	0	0	0	110.7	L75 P82 A84 V85 I86 L94	L43-L75 HydrophobicContact CD1-CD2 4.05Å; L43-L75 HydrophobicContact CD1-CG 4.14Å; L43-L75 HydrophobicContact CD2-CD2 4.1Å; L43-L75 HydrophobicContact CD2-CG 4.26Å; L43-L75 HydrophobicContact CG-CD2 4.46Å; L43-P82 HydrophobicContact CB-CB 3.87Å; L43-P82 HydrophobicContact CB-CG 3.95Å; L43-P82 HydrophobicContact CD2-CG 4.25Å; L43-A84 PolarHBondContact N-O 3.26Å; L43-V85 HydrophobicContact CD2-CG1 4.43Å; L43-I86 PolarHBondContact O-N 3.38Å; L43-L94 HydrophobicContact CD2-CD2 3.6Å
44	L	94.8	Very high	84.7	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.005	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	105.9	167.3	-57.8	177.8	0	0	0	108.3	D46 L49 I50 L53 E54 T72 I86 W311	L44-D46 PolarHBondContact O-N 3.44Å; L44-L49 HydrophobicContact CB-CB 4.42Å; L44-I50 HydrophobicContact CB-CG1 3.83Å; L44-L53 HydrophobicContact CD1-CB 4.1Å; L44-L53 HydrophobicContact CD2-CB 4.43Å; L44-L53 HydrophobicContact CD2-CD1 4.42Å; L44-E54 HydrophobicContact CD1-CB 3.84Å; L44-E54 HydrophobicContact CD1-CG 4.44Å; L44-T72 PolarHBondContact N-O 3.47Å; L44-I86 HydrophobicContact CD2-CB 4.13Å; L44-I86 HydrophobicContact CD2-CD1 4.05Å; L44-I86 HydrophobicContact CD2-CG1 4.47Å; L44-W311 HydrophobicContact CD2-CH2 4.41Å
45	A	91.6	Very high	85.6	Confident	34 Å²	34	62 Å²	62	28%	0.281	34%	0.34	S	S	.	.			trans	-86.5	-1	-160.7	0	0	0	0	0	116.1	V85 I86 F87 P92	A45-V85 HydrophobicContact CB-CG1 3.94Å; A45-I86 WeakPolarHBondContact CB-O 3.39Å; A45-I86 PolarHBondContact N-O 3.36Å; A45-F87 HydrophobicContact CB-CB 4.02Å; A45-P92 HydrophobicContact CB-CB 3.71Å; A45-P92 HydrophobicContact CB-CG 3.32Å
46	D	86.5	Confident	86.5	Confident	43 Å²	43	61.4 Å²	61.4	23%	0.23	34%	0.34	C	S	.	.	S	Bend	trans	-139.9	154	172.4	76	70.9	0	0	0	112.3	L44 T48 L49 I50	L44-D46 PolarHBondContact O-N 3.44Å; D46-T48 PolarHBondContact O-N 3.18Å; D46-T48 WeakPolarHBondContact OD1-CA 3.44Å; D46-T48 WeakPolarHBondContact OD1-CB 3.42Å; D46-T48 PolarHBondContact OD1-N 2.85Å; D46-T48 PolarHBondContact OD1-OG1 3.36Å; D46-L49 PolarHBondContact O-N 3.01Å; D46-L49 VanDerWaalsContact O-N 3.15Å; D46-L49 PolarHBondContact OD1-N 3.24Å; D46-L49 VanDerWaalsContact OD2-CD1 3.23Å; D46-L49 WeakPolarHBondContact OD2-CD1 3.41Å; D46-L49 WeakPolarHBondContact OD2-CG 3.2Å; D46-I50 WeakPolarHBondContact O-CG1 3.48Å; D46-I50 PolarHBondContact O-N 3.16Å; D46-I50 VanDerWaalsContact O-N 3.09Å
47	A	83.5	Confident	87.3	Confident	79 Å²	79	58.2 Å²	58.2	65%	0.653	32%	0.32	S	S	*	.	H	α-helix	trans	-59.5	-29.7	-174.2	0	0	0	0	0	114	W51	A47-W51 PolarHBondContact O-N 3.38Å
48	T	83.4	Confident	87.8	Confident	65 Å²	65	55.9 Å²	55.9	40%	0.399	29%	0.292	S	S	.	.	H	α-helix	trans	-71.5	-43.3	178.9	67.8	0	0	0	0	110.7	D46 I50 W51 E52	D46-T48 PolarHBondContact O-N 3.18Å; D46-T48 WeakPolarHBondContact OD1-CA 3.44Å; D46-T48 WeakPolarHBondContact OD1-CB 3.42Å; D46-T48 PolarHBondContact OD1-N 2.85Å; D46-T48 PolarHBondContact OD1-OG1 3.36Å; T48-I50 PolarHBondContact O-N 3.3Å; T48-W51 PolarHBondContact O-N 3.44Å; T48-E52 WeakPolarHBondContact O-CB 3.34Å; T48-E52 WeakPolarHBondContact O-CG 3.4Å; T48-E52 PolarHBondContact O-N 3.13Å
49	L	86	Confident	87.8	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.7	-41.7	174.7	-67.2	177.3	0	0	0	111.9	L44 D46 W51 E52 L53 I86 R88 F106	L44-L49 HydrophobicContact CB-CB 4.42Å; D46-L49 PolarHBondContact O-N 3.01Å; D46-L49 VanDerWaalsContact O-N 3.15Å; D46-L49 PolarHBondContact OD1-N 3.24Å; D46-L49 VanDerWaalsContact OD2-CD1 3.23Å; D46-L49 WeakPolarHBondContact OD2-CD1 3.41Å; D46-L49 WeakPolarHBondContact OD2-CG 3.2Å; L49-W51 VanDerWaalsContact C-N 3.34Å; L49-W51 PolarHBondContact O-N 2.86Å; L49-E52 PolarHBondContact O-N 3.23Å; L49-L53 HydrophobicContact CB-CD1 4.39Å; L49-L53 HydrophobicContact CD2-CD1 3.84Å; L49-L53 WeakPolarHBondContact O-CB 3.28Å; L49-L53 PolarHBondContact O-N 3.2Å; L49-I86 HydrophobicContact CD1-CG2 4.09Å; L49-R88 HydrophobicContact CD1-CB 4.48Å; L49-F106 HydrophobicContact CD2-CB 4.5Å; L49-F106 HydrophobicContact CD2-CD1 3.55Å; L49-F106 HydrophobicContact CD2-CE1 3.99Å; L49-F106 HydrophobicContact CD2-CG 4.15Å
50	I	84.2	Confident	87.6	Confident	46 Å²	46	51.9 Å²	51.9	24%	0.236	28%	0.278	C	S	.	.	H	α-helix	trans	-54.5	-53.2	176.9	-64.9	168.8	0	0	0	110.1	L44 D46 T48 E52 L53 E54 G73	L44-I50 HydrophobicContact CB-CG1 3.83Å; D46-I50 WeakPolarHBondContact O-CG1 3.48Å; D46-I50 PolarHBondContact O-N 3.16Å; D46-I50 VanDerWaalsContact O-N 3.09Å; T48-I50 PolarHBondContact O-N 3.3Å; I50-E52 VanDerWaalsContact C-N 3.34Å; I50-E52 PolarHBondContact O-N 3.02Å; I50-L53 PolarHBondContact O-N 3.03Å; I50-E54 HydrophobicContact CG2-CB 4.44Å; I50-E54 VanDerWaalsContact CG2-OE2 3.3Å; I50-E54 WeakPolarHBondContact CG2-OE2 3.41Å; I50-E54 VanDerWaalsContact O-CB 3.28Å; I50-E54 WeakPolarHBondContact O-CB 3.44Å; I50-E54 PolarHBondContact O-N 2.89Å; I50-G73 VanDerWaalsContact CG1-CA 3.47Å
51	W	78.9	Confident	87.5	Confident	225 Å²	225	51.6 Å²	51.6	85%	0.852	28%	0.276	S	S	*	.	H	α-helix	trans	-63.1	-38.4	179.6	-178	82.2	0	0	0	113.1	A47 T48 L49	A47-W51 PolarHBondContact O-N 3.38Å; T48-W51 PolarHBondContact O-N 3.44Å; L49-W51 VanDerWaalsContact C-N 3.34Å; L49-W51 PolarHBondContact O-N 2.86Å
52	E	84.6	Confident	87.1	Confident	77 Å²	77	55.4 Å²	55.4	36%	0.36	30%	0.304	S	S	.	.	H	α-helix	trans	-74.1	-31.6	-178.6	-73	173.8	-158.2	0	0	113.3	T48 L49 I50 R88	T48-E52 WeakPolarHBondContact O-CB 3.34Å; T48-E52 WeakPolarHBondContact O-CG 3.4Å; T48-E52 PolarHBondContact O-N 3.13Å; L49-E52 PolarHBondContact O-N 3.23Å; I50-E52 VanDerWaalsContact C-N 3.34Å; I50-E52 PolarHBondContact O-N 3.02Å; E52-R88 IonicContact OE1-CZ 3.85Å; E52-R88 IonicContact OE1-NH1 2.96Å; E52-R88 PolarHBondContact OE1-NH1 3.42Å; E52-R88 IonicContact OE1-NH2 2.71Å; E52-R88 PolarHBondContact OE1-NH2 3.16Å; E52-R88 IonicContact OE2-CZ 3.5Å; E52-R88 IonicContact OE2-NH1 3.98Å; E52-R88 IonicContact OE2-NH2 3.05Å; E52-R88 PolarHBondContact OE2-NH2 2.05Å
53	L	88.6	Confident	86.9	Confident	20 Å²	20	59.7 Å²	59.7	11%	0.105	33%	0.331	C	S	.	.	H	α-helix	trans	-127	-29.3	-157.7	-63.2	-178.3	0	0	0	115.6	L44 L49 I50 N55 S56 A57 F106 W311	L44-L53 HydrophobicContact CD1-CB 4.1Å; L44-L53 HydrophobicContact CD2-CB 4.43Å; L44-L53 HydrophobicContact CD2-CD1 4.42Å; L49-L53 HydrophobicContact CB-CD1 4.39Å; L49-L53 HydrophobicContact CD2-CD1 3.84Å; L49-L53 WeakPolarHBondContact O-CB 3.28Å; L49-L53 PolarHBondContact O-N 3.2Å; I50-L53 PolarHBondContact O-N 3.03Å; L53-N55 PolarHBondContact O-N 2.68Å; L53-S56 PolarHBondContact O-N 3.18Å; L53-A57 WeakPolarHBondContact O-CB 3.18Å; L53-A57 PolarHBondContact O-N 2.98Å; L53-F106 HydrophobicContact CD1-CD2 4.38Å; L53-F106 HydrophobicContact CD1-CE1 4.36Å; L53-F106 HydrophobicContact CD1-CE2 4.04Å; L53-F106 HydrophobicContact CD1-CZ 4.03Å; L53-F106 HydrophobicContact CD2-CZ 4.18Å; L53-W311 HydrophobicContact CB-CH2 3.98Å; L53-W311 HydrophobicContact CB-CZ2 3.69Å; L53-W311 HydrophobicContact CD1-CH2 4.2Å; L53-W311 HydrophobicContact CD1-CZ2 4.3Å; L53-W311 HydrophobicContact CD2-CZ2 3.97Å; L53-W311 HydrophobicContact CG-CH2 4.5Å; L53-W311 HydrophobicContact CG-CZ2 4.18Å
54	E	83.9	Confident	86.7	Confident	49 Å²	49	59.7 Å²	59.7	23%	0.229	33%	0.331	C	S	.	.	H	α-helix	trans	-60.9	-51	-166.7	-171.1	171.7	-145.6	0	0	113.1	L44 I50 S56 A57 N58 T72 G73	L44-E54 HydrophobicContact CD1-CB 3.84Å; L44-E54 HydrophobicContact CD1-CG 4.44Å; I50-E54 HydrophobicContact CG2-CB 4.44Å; I50-E54 VanDerWaalsContact CG2-OE2 3.3Å; I50-E54 WeakPolarHBondContact CG2-OE2 3.41Å; I50-E54 VanDerWaalsContact O-CB 3.28Å; I50-E54 WeakPolarHBondContact O-CB 3.44Å; I50-E54 PolarHBondContact O-N 2.89Å; E54-S56 PolarHBondContact O-N 2.98Å; E54-A57 WeakPolarHBondContact O-CB 3.16Å; E54-A57 PolarHBondContact O-N 2.77Å; E54-N58 PolarHBondContact O-N 3.38Å; E54-N58 VanDerWaalsContact O-N 3.11Å; E54-N58 PolarHBondContact O-ND2 3.18Å; E54-T72 VanDerWaalsContact OE1-CA 3.31Å; E54-T72 WeakPolarHBondContact OE1-CA 3.47Å; E54-G73 PolarHBondContact OE1-N 3.24Å
55	N	82.8	Confident	86.4	Confident	121 Å²	121	62.3 Å²	62.3	65%	0.647	35%	0.348	S	S	*	.	H	α-helix	trans	-63.4	-44	178.5	-69	-28.4	0	0	0	111.7	L53 A57 N58 E59	L53-N55 PolarHBondContact O-N 2.68Å; N55-A57 VanDerWaalsContact C-N 3.26Å; N55-A57 PolarHBondContact O-N 2.72Å; N55-N58 PolarHBondContact O-N 2.99Å; N55-E59 WeakPolarHBondContact O-CB 3.37Å; N55-E59 WeakPolarHBondContact O-CG 3.24Å; N55-E59 PolarHBondContact O-N 2.92Å
56	S	86.5	Confident	86.4	Confident	62 Å²	62	60.8 Å²	60.8	43%	0.434	34%	0.335	S	S	.	.	H	α-helix	trans	-59.7	-37.9	177.7	176.7	0	0	0	0	112	L53 E54 A60 W311	L53-S56 PolarHBondContact O-N 3.18Å; E54-S56 PolarHBondContact O-N 2.98Å; S56-A60 WeakPolarHBondContact O-CB 3.48Å; S56-A60 PolarHBondContact O-N 3.11Å; S56-A60 VanDerWaalsContact O-N 3.11Å; S56-W311 PolarHBondContact OG-NE1 3.07Å
57	A	86.4	Confident	86.6	Confident	0 Å²	0	62 Å²	62	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-67.3	-54	178.4	0	0	0	0	0	112	L53 E54 N55 E59 A60 F61 A71 W311	L53-A57 WeakPolarHBondContact O-CB 3.18Å; L53-A57 PolarHBondContact O-N 2.98Å; E54-A57 WeakPolarHBondContact O-CB 3.16Å; E54-A57 PolarHBondContact O-N 2.77Å; N55-A57 VanDerWaalsContact C-N 3.26Å; N55-A57 PolarHBondContact O-N 2.72Å; A57-E59 PolarHBondContact O-N 3.36Å; A57-A60 PolarHBondContact O-N 3.03Å; A57-A60 VanDerWaalsContact O-N 3.11Å; A57-F61 HydrophobicContact CB-CE2 3.9Å; A57-F61 HydrophobicContact CB-CZ 4.3Å; A57-F61 WeakPolarHBondContact O-CD2 3.49Å; A57-F61 WeakPolarHBondContact O-CG 3.48Å; A57-F61 PolarHBondContact O-N 3.31Å; A57-A71 HydrophobicContact CB-CB 3.48Å; A57-A71 VanDerWaalsContact CB-CB 3.48Å; A57-W311 HydrophobicContact CB-CD2 3.59Å; A57-W311 VanDerWaalsContact CB-CE2 3.48Å; A57-W311 HydrophobicContact CB-CE3 3.78Å; A57-W311 HydrophobicContact CB-CG 4.23Å; A57-W311 HydrophobicContact CB-CH2 3.81Å; A57-W311 HydrophobicContact CB-CZ2 3.62Å; A57-W311 HydrophobicContact CB-CZ3 3.88Å
58	N	84.6	Confident	87	Confident	63 Å²	63	59.3 Å²	59.3	34%	0.337	32%	0.322	S	S	.	.	H	α-helix	trans	-67.5	-37.8	-174.2	-69.1	-31.4	0	0	0	112	E54 N55 A71	E54-N58 PolarHBondContact O-N 3.38Å; E54-N58 VanDerWaalsContact O-N 3.11Å; E54-N58 PolarHBondContact O-ND2 3.18Å; N55-N58 PolarHBondContact O-N 2.99Å; N58-A71 PolarHBondContact ND2-O 3.29Å; N58-A71 VanDerWaalsContact ND2-O 3.11Å; N58-A71 PolarHBondContact OD1-N 3.24Å; N58-A71 PolarHBondContact OD1-O 2.72Å
59	E	87.7	Confident	87.5	Confident	140 Å²	140	56.4 Å²	56.4	65%	0.654	30%	0.304	S	S	*	.	H	α-helix	trans	-62.1	-44.4	170.3	-72	177.2	-172	0	0	111.3	N55 A57 S62	N55-E59 WeakPolarHBondContact O-CB 3.37Å; N55-E59 WeakPolarHBondContact O-CG 3.24Å; N55-E59 PolarHBondContact O-N 2.92Å; A57-E59 PolarHBondContact O-N 3.36Å; E59-S62 PolarHBondContact O-OG 3.4Å
60	A	87.3	Confident	87.9	Confident	25 Å²	25	59.2 Å²	59.2	21%	0.207	32%	0.318	C	S	.	.	H	α-helix	trans	-64.9	-45.7	-177.5	0	0	0	0	0	112.9	S56 A57 S62 T63 C64 W311	S56-A60 WeakPolarHBondContact O-CB 3.48Å; S56-A60 PolarHBondContact O-N 3.11Å; S56-A60 VanDerWaalsContact O-N 3.11Å; A57-A60 PolarHBondContact O-N 3.03Å; A57-A60 VanDerWaalsContact O-N 3.11Å; A60-S62 PolarHBondContact O-N 2.99Å; A60-T63 PolarHBondContact O-N 3.02Å; A60-T63 PolarHBondContact O-OG1 3.01Å; A60-C64 PolarHBondContact O-N 2.91Å; A60-C64 PolarHBondContact O-SG 2.92Å; A60-W311 HydrophobicContact CB-CB 3.75Å; A60-W311 HydrophobicContact CB-CG 4Å
61	F	90.7	Very high	88.4	Confident	6 Å²	6	57 Å²	57	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-56.6	-36	-176.8	-64.7	-45.9	0	0	0	112.7	I42 A57 T63 C64 S67 C69 A71 W311 C315	I42-F61 HydrophobicContact CD1-CE1 4.49Å; I42-F61 HydrophobicContact CD1-CE2 4.43Å; I42-F61 HydrophobicContact CD1-CZ 3.72Å; A57-F61 HydrophobicContact CB-CE2 3.9Å; A57-F61 HydrophobicContact CB-CZ 4.3Å; A57-F61 WeakPolarHBondContact O-CD2 3.49Å; A57-F61 WeakPolarHBondContact O-CG 3.48Å; A57-F61 PolarHBondContact O-N 3.31Å; F61-T63 PolarHBondContact O-N 3.36Å; F61-T63 VanDerWaalsContact O-N 3.07Å; F61-C64 PolarHBondContact O-N 3.19Å; F61-C64 VanDerWaalsContact O-N 3.08Å; F61-S67 WeakPolarHBondContact O-CB 3.42Å; F61-C69 HydrophobicContact CD1-CB 4.17Å; F61-C69 HydrophobicContact CD2-CB 4.38Å; F61-C69 WeakPolarHBondContact CD2-O 2.91Å; F61-C69 HydrophobicContact CE1-CB 3.92Å; F61-C69 HydrophobicContact CE2-CB 4.14Å; F61-C69 HydrophobicContact CG-CB 4.42Å; F61-C69 HydrophobicContact CZ-CB 3.92Å; F61-A71 HydrophobicContact CE2-CB 4.07Å; F61-W311 HydrophobicContact CD1-CB 4.09Å; F61-W311 HydrophobicContact CE1-CB 3.67Å; F61-W311 HydrophobicContact CE1-CE3 4.21Å; F61-W311 HydrophobicContact CE1-CG 4.46Å; F61-W311 WeakPolarHBondContact CE1-O 3.2Å; F61-W311 HydrophobicContact CZ-CB 4.23Å; F61-W311 HydrophobicContact CZ-CD2 4.32Å; F61-W311 AromaticContact CZ-CE3 3.71Å; F61-W311 HydrophobicContact CZ-CE3 3.71Å; F61-W311 HydrophobicContact CZ-CZ3 4.47Å; F61-C315 HydrophobicContact CD1-CB 4.06Å; F61-C315 HydrophobicContact CE1-CB 3.81Å
62	S	87.5	Confident	89.1	Confident	96 Å²	96	47.3 Å²	47.3	67%	0.671	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.6	177.3	74.9	0	0	0	0	114.2	E59 A60	E59-S62 PolarHBondContact O-OG 3.4Å; A60-S62 PolarHBondContact O-N 2.99Å
63	T	89.6	Confident	89.4	Confident	91 Å²	91	44.8 Å²	44.8	56%	0.558	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-6.1	-179.3	72.1	0	0	0	0	113.3	A60 F61 R309	A60-T63 PolarHBondContact O-N 3.02Å; A60-T63 PolarHBondContact O-OG1 3.01Å; F61-T63 PolarHBondContact O-N 3.36Å; F61-T63 VanDerWaalsContact O-N 3.07Å; T63-R309 PolarHBondContact O-NH2 3.24Å
64	C	90.9	Very high	89.4	Confident	10 Å²	10	47.6 Å²	47.6	7%	0.068	29%	0.289	C	S	.	.	S	Bend	trans	-80	145.3	-177.2	-63	0	0	0	0	111.3	A60 F61 V66 C312	A60-C64 PolarHBondContact O-N 2.91Å; A60-C64 PolarHBondContact O-SG 2.92Å; F61-C64 PolarHBondContact O-N 3.19Å; F61-C64 VanDerWaalsContact O-N 3.08Å; C64-V66 WeakPolarHBondContact CB-O 3.41Å; C64-V66 PolarHBondContact O-N 3.02Å; C64-C312 VanDerWaalsContact CA-SG 3.53Å; C64-C312 HydrophobicContact CB-CB 3.67Å; C64-C312 WeakPolarHBondContact CB-SG 3.37Å; C64-C312 WeakPolarHBondContact SG-CA 3.42Å; C64-C312 WeakPolarHBondContact SG-CB 3.4Å; C64-C312 CovalentContact SG-SG 2.03Å; C64-C312 PolarHBondContact SG-SG 2.97Å
65	P	89.4	Confident	89.5	Confident	57 Å²	57	47.4 Å²	47.4	37%	0.37	29%	0.289	S	S	.	.	S	Bend	trans	-59.2	-37.5	171.9	-25.4	35.7	0	0	0	113	L31	L31-P65 HydrophobicContact CB-CB 4.27Å; L31-P65 HydrophobicContact CB-CG 4.01Å; L31-P65 HydrophobicContact CD1-CG 4.11Å
66	V	90.4	Very high	89.7	Confident	1 Å²	1	46 Å²	46	1%	0.006	29%	0.287	C	S	.	.	S	Bend	trans	-103	112.9	167.9	180	0	0	0	0	107.8	S32 T35 C64 N68 C315 A316 N319	S32-V66 WeakPolarHBondContact O-CG2 3.1Å; T35-V66 HydrophobicContact CG2-CB 4.45Å; T35-V66 HydrophobicContact CG2-CG1 3.92Å; T35-V66 HydrophobicContact CG2-CG2 4.3Å; C64-V66 WeakPolarHBondContact CB-O 3.41Å; C64-V66 PolarHBondContact O-N 3.02Å; V66-N68 VanDerWaalsContact CG1-OD1 3.26Å; V66-N68 WeakPolarHBondContact CG1-OD1 3.17Å; V66-C315 HydrophobicContact CG1-CB 4.46Å; V66-A316 HydrophobicContact CB-CB 4.28Å; V66-A316 HydrophobicContact CG2-CB 4.11Å; V66-N319 WeakPolarHBondContact CG1-ND2 3.38Å
67	S	90.7	Very high	89.7	Confident	68 Å²	68	45.5 Å²	45.5	48%	0.476	28%	0.283	S	S	.	.			trans	-126.7	6.3	-169.6	59	0	0	0	0	114.1	F61 C69	F61-S67 WeakPolarHBondContact O-CB 3.42Å; S67-C69 PolarHBondContact O-N 3.39Å
68	N	93	Very high	89.5	Confident	24 Å²	24	50.4 Å²	50.4	13%	0.128	32%	0.315	C	S	.	.			trans	-77.5	27.8	-179.9	67.7	-42.5	0	0	0	113.5	V36 Q38 Q39 L40 V66 N319	V36-N68 PolarHBondContact O-ND2 2.9Å; V36-N68 VanDerWaalsContact O-ND2 3.13Å; Q38-N68 PolarHBondContact O-ND2 3.21Å; Q39-N68 CarbonylContact C-O 3.57Å; Q39-N68 WeakPolarHBondContact CA-O 3.03Å; L40-N68 PolarHBondContact N-O 2.87Å; V66-N68 VanDerWaalsContact CG1-OD1 3.26Å; V66-N68 WeakPolarHBondContact CG1-OD1 3.17Å; N68-N319 PolarHBondContact ND2-OD1 2.84Å; N68-N319 PolarHBondContact OD1-ND2 3.45Å; N68-N319 PolarHBondContact OD1-OD1 3.07Å
69	C	94.1	Very high	89.4	Confident	4 Å²	4	54 Å²	54	3%	0.027	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	147.6	175.5	-55.8	0	0	0	0	111.4	L40 I42 F61 S67 C315	L40-C69 CarbonylContact O-C 3.59Å; L40-C69 VanDerWaalsContact O-CA 3.28Å; L40-C69 WeakPolarHBondContact O-CA 3.48Å; I42-C69 HydrophobicContact CD1-CB 4.03Å; F61-C69 HydrophobicContact CD1-CB 4.17Å; F61-C69 HydrophobicContact CD2-CB 4.38Å; F61-C69 WeakPolarHBondContact CD2-O 2.91Å; F61-C69 HydrophobicContact CE1-CB 3.92Å; F61-C69 HydrophobicContact CE2-CB 4.14Å; F61-C69 HydrophobicContact CG-CB 4.42Å; F61-C69 HydrophobicContact CZ-CB 3.92Å; S67-C69 PolarHBondContact O-N 3.39Å; C69-C315 HydrophobicContact CB-CB 3.81Å; C69-C315 WeakPolarHBondContact CB-SG 3.22Å; C69-C315 PolarHBondContact N-SG 3.05Å; C69-C315 WeakPolarHBondContact SG-CA 3.22Å; C69-C315 WeakPolarHBondContact SG-CB 3.38Å; C69-C315 CovalentContact SG-SG 2.03Å; C69-C315 PolarHBondContact SG-SG 3.07Å
70	I	94.2	Very high	89.5	Confident	58 Å²	58	51.1 Å²	51.1	30%	0.297	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.8	168.6	-66.6	-171.7	0	0	0	108.5	Q39 L40 L41 I42	Q39-I70 HydrophobicContact CG-CD1 4.27Å; Q39-I70 HydrophobicContact CG-CG1 4.15Å; Q39-I70 VanDerWaalsContact OE1-CD1 3.31Å; L40-I70 PolarHBondContact O-N 3.49Å; L41-I70 HydrophobicContact CD1-CB 4.3Å; L41-I70 HydrophobicContact CD1-CG2 4.24Å; I42-I70 PolarHBondContact N-O 2.98Å
71	A	95.2	Very high	89.7	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.008	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	135.3	169.1	0	0	0	0	0	109.9	I42 A57 N58 F61	I42-A71 HydrophobicContact CB-CB 4.43Å; I42-A71 WeakPolarHBondContact O-CA 3.27Å; A57-A71 HydrophobicContact CB-CB 3.48Å; A57-A71 VanDerWaalsContact CB-CB 3.48Å; N58-A71 PolarHBondContact ND2-O 3.29Å; N58-A71 VanDerWaalsContact ND2-O 3.11Å; N58-A71 PolarHBondContact OD1-N 3.24Å; N58-A71 PolarHBondContact OD1-O 2.72Å; F61-A71 HydrophobicContact CE2-CB 4.07Å
72	T	93.3	Very high	89.9	Confident	21 Å²	21	51 Å²	51	13%	0.129	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	147.9	179.1	-172.8	0	0	0	0	112.6	L41 I42 L44 E54 S74	L41-T72 HydrophobicContact CD1-CG2 3.7Å; L41-T72 HydrophobicContact CD2-CG2 4.17Å; L41-T72 HydrophobicContact CG-CG2 4.08Å; I42-T72 PolarHBondContact O-N 3.12Å; L44-T72 PolarHBondContact N-O 3.47Å; E54-T72 VanDerWaalsContact OE1-CA 3.31Å; E54-T72 WeakPolarHBondContact OE1-CA 3.47Å; T72-S74 WeakPolarHBondContact CG2-O 3.36Å; T72-S74 PolarHBondContact OG1-N 2.62Å; T72-S74 PolarHBondContact OG1-O 3.14Å; T72-S74 VanDerWaalsContact OG1-O 3.14Å
73	G	91	Very high	90.2	Very high	24 Å²	24	47.9 Å²	47.9	25%	0.247	29%	0.294	C	S	.	.	S	Bend	trans	-81.8	-6.4	169.4	0	0	0	0	0	115.9	I50 E54	I50-G73 VanDerWaalsContact CG1-CA 3.47Å; E54-G73 PolarHBondContact OE1-N 3.24Å
74	S	88.5	Confident	90.5	Very high	79 Å²	79	43.5 Å²	43.5	55%	0.552	27%	0.267	S	S	*	.	S	Bend	trans	-141.6	138.5	-175.8	57.5	0	0	0	0	111.8	T72	T72-S74 WeakPolarHBondContact CG2-O 3.36Å; T72-S74 PolarHBondContact OG1-N 2.62Å; T72-S74 PolarHBondContact OG1-O 3.14Å; T72-S74 VanDerWaalsContact OG1-O 3.14Å
75	L	86.8	Confident	90.7	Very high	44 Å²	44	43 Å²	43	23%	0.23	26%	0.264	C	S	.	.			trans	-71.1	143.1	175.1	-67.5	173.5	0	0	0	111.3	L41 L43 S77 F80 P82 L94	L41-L75 HydrophobicContact CD2-CD2 4.3Å; L43-L75 HydrophobicContact CD1-CD2 4.05Å; L43-L75 HydrophobicContact CD1-CG 4.14Å; L43-L75 HydrophobicContact CD2-CD2 4.1Å; L43-L75 HydrophobicContact CD2-CG 4.26Å; L43-L75 HydrophobicContact CG-CD2 4.46Å; L75-S77 PolarHBondContact O-N 3.2Å; L75-F80 HydrophobicContact CD2-CD1 4.35Å; L75-P82 HydrophobicContact CD2-CB 4.1Å; L75-P82 HydrophobicContact CD2-CG 3.98Å; L75-L94 HydrophobicContact CD1-CD2 4.02Å
76	P	85.8	Confident	91	Very high	93 Å²	93	40.3 Å²	40.3	60%	0.604	25%	0.246	S	C	*	.	S	Bend	trans	-60.1	-32.3	176.8	-24.5	33.3	0	0	0	113.9	L41 F80	L41-P76 HydrophobicContact CD2-CG 4.14Å; P76-F80 HydrophobicContact CB-CD2 4.38Å; P76-F80 HydrophobicContact CB-CG 4.49Å; P76-F80 HydrophobicContact CG-CD1 4.31Å; P76-F80 HydrophobicContact CG-CD2 4.2Å; P76-F80 HydrophobicContact CG-CE2 4.45Å; P76-F80 HydrophobicContact CG-CG 4.12Å
77	S	86.4	Confident	91.3	Very high	50 Å²	50	40.4 Å²	40.4	35%	0.35	25%	0.246	S	C	.	.	S	Bend	trans	-150.8	160.6	173.2	71.8	0	0	0	0	110.2	L75 D79 F80	L75-S77 PolarHBondContact O-N 3.2Å; S77-D79 PolarHBondContact O-N 3.35Å; S77-F80 WeakPolarHBondContact O-CB 3.44Å; S77-F80 PolarHBondContact O-N 3.04Å; S77-F80 VanDerWaalsContact O-N 3.12Å; S77-F80 PolarHBondContact OG-N 3.21Å
78	P	81.9	Confident	91.3	Very high	103 Å²	103	38.4 Å²	38.4	67%	0.669	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-24.6	177.6	-24.8	35	0	0	0	114.3	P95	P78-P95 WeakPolarHBondContact O-CG 2.92Å
79	D	83.5	Confident	91.1	Very high	138 Å²	138	41.5 Å²	41.5	74%	0.738	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-1.4	-179.8	-64.2	-46.6	0	0	0	113.2	S77 S81	S77-D79 PolarHBondContact O-N 3.35Å; D79-S81 PolarHBondContact O-N 3.11Å
80	F	88.8	Confident	90.8	Very high	81 Å²	81	47.7 Å²	47.7	36%	0.355	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-74.5	127.5	-177.9	-163.9	-83.5	0	0	0	111.1	L41 L75 P76 S77	L41-F80 HydrophobicContact CB-CE1 4Å; L41-F80 HydrophobicContact CD2-CD1 3.65Å; L41-F80 HydrophobicContact CD2-CE1 3.3Å; L41-F80 HydrophobicContact CD2-CZ 4.17Å; L41-F80 HydrophobicContact CG-CE1 4.26Å; L75-F80 HydrophobicContact CD2-CD1 4.35Å; P76-F80 HydrophobicContact CB-CD2 4.38Å; P76-F80 HydrophobicContact CB-CG 4.49Å; P76-F80 HydrophobicContact CG-CD1 4.31Å; P76-F80 HydrophobicContact CG-CD2 4.2Å; P76-F80 HydrophobicContact CG-CE2 4.45Å; P76-F80 HydrophobicContact CG-CG 4.12Å; S77-F80 WeakPolarHBondContact O-CB 3.44Å; S77-F80 PolarHBondContact O-N 3.04Å; S77-F80 VanDerWaalsContact O-N 3.12Å; S77-F80 PolarHBondContact OG-N 3.21Å
81	S	92	Very high	90.4	Very high	27 Å²	27	48.5 Å²	48.5	19%	0.189	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-95.1	117.4	171.7	177.2	0	0	0	0	110.1	D79 D98 H100 Q101	D79-S81 PolarHBondContact O-N 3.11Å; S81-D98 VanDerWaalsContact CB-OD2 3.24Å; S81-D98 WeakPolarHBondContact CB-OD2 3.34Å; S81-D98 PolarHBondContact OG-OD2 3.08Å; S81-H100 PolarHBondContact OG-CE1 3.24Å; S81-H100 PolarHBondContact OG-NE2 3.08Å; S81-H100 VanDerWaalsContact OG-NE2 3.15Å; S81-Q101 PolarHBondContact OG-NE2 3.27Å
82	P	94.1	Very high	90	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-73.7	148.3	174.1	32.5	-35.5	0	0	0	111.3	L41 L43 L75 A84 V85 L94 Q101	L41-P82 HydrophobicContact CD2-CB 4.28Å; L43-P82 HydrophobicContact CB-CB 3.87Å; L43-P82 HydrophobicContact CB-CG 3.95Å; L43-P82 HydrophobicContact CD2-CG 4.25Å; L75-P82 HydrophobicContact CD2-CB 4.1Å; L75-P82 HydrophobicContact CD2-CG 3.98Å; P82-A84 VanDerWaalsContact C-N 3.34Å; P82-V85 HydrophobicContact CG-CG2 3.75Å; P82-L94 HydrophobicContact CG-CD1 4.41Å; P82-Q101 WeakPolarHBondContact O-CG 3.34Å
83	D	94.6	Very high	89.5	Confident	30 Å²	30	55.3 Å²	55.3	16%	0.16	32%	0.317	C	S	.	.	S	Bend	trans	-70	-32.1	177.1	-58	-86.5	0	0	0	112.5	L40 L41 Q101 I102	L40-D83 VanDerWaalsContact CA-OD2 3.28Å; L40-D83 WeakPolarHBondContact CA-OD2 3.37Å; L40-D83 HydrophobicContact CB-CB 4.3Å; L40-D83 HydrophobicContact CD2-CB 4.37Å; L41-D83 PolarHBondContact N-OD2 2.71Å; L41-D83 PolarHBondContact O-N 3.2Å; D83-Q101 WeakPolarHBondContact O-CA 3.3Å; D83-I102 PolarHBondContact O-N 3.47Å
84	A	95.9	Very high	89.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	150	174.7	0	0	0	0	0	112.2	L41 I42 L43 P82 I102 I104 L318	L41-A84 PolarHBondContact O-N 2.94Å; L41-A84 VanDerWaalsContact O-N 3.1Å; I42-A84 WeakPolarHBondContact CA-O 3.16Å; I42-A84 HydrophobicContact CG1-CB 4.17Å; I42-A84 HydrophobicContact CG2-CB 4.32Å; L43-A84 PolarHBondContact N-O 3.26Å; P82-A84 VanDerWaalsContact C-N 3.34Å; A84-I102 CarbonylContact C-O 3.54Å; A84-I102 VanDerWaalsContact CA-O 3.25Å; A84-I102 WeakPolarHBondContact CA-O 3.34Å; A84-I102 HydrophobicContact CB-CB 4.47Å; A84-I104 HydrophobicContact CB-CD1 4.2Å; A84-L318 HydrophobicContact CB-CD1 3.79Å; A84-L318 HydrophobicContact CB-CD2 3.75Å; A84-L318 HydrophobicContact CB-CG 4.45Å
85	V	95.4	Very high	88.5	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	112.3	179	-173.2	0	0	0	0	108.3	L43 A45 P82 F87 P92 L94 I102 W103 I104	L43-V85 HydrophobicContact CD2-CG1 4.43Å; A45-V85 HydrophobicContact CB-CG1 3.94Å; P82-V85 HydrophobicContact CG-CG2 3.75Å; V85-F87 HydrophobicContact CG1-CD1 4.45Å; V85-P92 HydrophobicContact CG1-CB 4.12Å; V85-P92 HydrophobicContact CG1-CG 3.76Å; V85-L94 HydrophobicContact CG1-CD1 4.25Å; V85-L94 HydrophobicContact CG2-CD1 3.6Å; V85-I102 PolarHBondContact N-O 3.03Å; V85-W103 HydrophobicContact CB-CD2 4.47Å; V85-I104 PolarHBondContact O-N 3.18Å
86	I	96.2	Very high	88	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	125.7	175.2	-54.8	-176.9	0	0	0	108.8	I42 L43 L44 A45 L49 I104 F106 W311 L314	I42-I86 HydrophobicContact CG2-CD1 3.65Å; I42-I86 HydrophobicContact CG2-CG1 3.79Å; L43-I86 PolarHBondContact O-N 3.38Å; L44-I86 HydrophobicContact CD2-CB 4.13Å; L44-I86 HydrophobicContact CD2-CD1 4.05Å; L44-I86 HydrophobicContact CD2-CG1 4.47Å; A45-I86 WeakPolarHBondContact CB-O 3.39Å; A45-I86 PolarHBondContact N-O 3.36Å; L49-I86 HydrophobicContact CD1-CG2 4.09Å; I86-I104 WeakPolarHBondContact CA-O 3.38Å; I86-I104 HydrophobicContact CG1-CB 4.22Å; I86-I104 HydrophobicContact CG1-CD1 4.29Å; I86-F106 HydrophobicContact CG2-CB 3.57Å; I86-F106 HydrophobicContact CG2-CD2 4.37Å; I86-F106 HydrophobicContact CG2-CG 4.2Å; I86-W311 HydrophobicContact CD1-CH2 4.23Å; I86-W311 HydrophobicContact CD1-CZ3 4.01Å; I86-L314 HydrophobicContact CD1-CD2 3.89Å
87	F	95	Very high	88	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.009	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	160.2	-178.9	65.1	-77	0	0	0	111.2	A45 V85 L90 P92 W103 I104 F105 F106 L120 V124	A45-F87 HydrophobicContact CB-CB 4.02Å; V85-F87 HydrophobicContact CG1-CD1 4.45Å; F87-L90 WeakPolarHBondContact CD2-O 3.32Å; F87-P92 HydrophobicContact CB-CG 3.54Å; F87-P92 HydrophobicContact CD1-CG 4.19Å; F87-P92 HydrophobicContact CD2-CG 4.46Å; F87-P92 HydrophobicContact CG-CG 3.83Å; F87-W103 HydrophobicContact CD1-CE3 4.36Å; F87-W103 HydrophobicContact CE1-CB 3.88Å; F87-W103 HydrophobicContact CE1-CD2 4.44Å; F87-W103 AromaticContact CE1-CE3 3.83Å; F87-W103 HydrophobicContact CE1-CE3 3.83Å; F87-W103 HydrophobicContact CZ-CE3 4.09Å; F87-I104 WeakPolarHBondContact CD1-O 3.29Å; F87-I104 PolarHBondContact N-O 3.17Å; F87-F105 WeakPolarHBondContact O-CA 3.41Å; F87-F106 PolarHBondContact O-N 3.13Å; F87-L120 HydrophobicContact CD2-CD1 4.48Å; F87-L120 HydrophobicContact CE2-CD1 3.84Å; F87-L120 HydrophobicContact CE2-CD2 3.94Å; F87-L120 HydrophobicContact CE2-CG 4.39Å; F87-V124 HydrophobicContact CE2-CG2 4.35Å; F87-V124 HydrophobicContact CZ-CG2 3.75Å
88	R	91.1	Very high	88.1	Confident	26 Å²	26	63.7 Å²	63.7	10%	0.098	32%	0.324	C	S	.	.	S	Bend	trans	-112.5	-70.6	-176.5	-176	179	-67.6	169.3	-2.5	112.9	L49 E52 F105 F106	L49-R88 HydrophobicContact CD1-CB 4.48Å; E52-R88 IonicContact OE1-CZ 3.85Å; E52-R88 IonicContact OE1-NH1 2.96Å; E52-R88 PolarHBondContact OE1-NH1 3.42Å; E52-R88 IonicContact OE1-NH2 2.71Å; E52-R88 PolarHBondContact OE1-NH2 3.16Å; E52-R88 IonicContact OE2-CZ 3.5Å; E52-R88 IonicContact OE2-NH1 3.98Å; E52-R88 IonicContact OE2-NH2 3.05Å; E52-R88 PolarHBondContact OE2-NH2 2.05Å; R88-F105 WeakPolarHBondContact O-CD2 3.11Å; R88-F105 VanDerWaalsContact O-CE2 3.23Å; R88-F105 WeakPolarHBondContact O-CE2 3.16Å; R88-F106 WeakPolarHBondContact CG-O 2.79Å
89	Y	88.9	Confident	88.5	Confident	90 Å²	90	64.3 Å²	64.3	35%	0.353	34%	0.338	S	S	.	.	S	Bend	trans	-103.2	-44.2	-167.2	-60.1	-64.6	0	0	0	115.1	T114 P115 F117	Y89-T114 HydrophobicContact CE1-CG2 4.43Å; Y89-P115 HydrophobicContact CD1-CG 3.71Å; Y89-P115 HydrophobicContact CE1-CG 4.19Å; Y89-F117 AromaticContact CD1-CE1 3.8Å; Y89-F117 HydrophobicContact CD1-CE1 3.8Å; Y89-F117 AromaticContact CD1-CZ 3.96Å; Y89-F117 HydrophobicContact CD1-CZ 3.96Å; Y89-F117 HydrophobicContact CE1-CZ 4.24Å
90	L	87.3	Confident	88.8	Confident	134 Å²	134	62.1 Å²	62.1	70%	0.702	32%	0.323	S	S	*	.	S	Bend	trans	-109.9	153.1	-174.7	-64.2	176.1	0	0	0	110	F87 P92	F87-L90 WeakPolarHBondContact CD2-O 3.32Å; L90-P92 VanDerWaalsContact O-CD 3.25Å; L90-P92 WeakPolarHBondContact O-CD 3.46Å
91	L	87.2	Confident	89.1	Confident	74 Å²	74	58.5 Å²	58.5	39%	0.387	31%	0.307	S	S	.	.			trans	-62	124.1	167.4	-73	174.5	0	0	0	109.1	V93 W103 L120 V123	L91-V93 PolarHBondContact O-N 3.44Å; L91-W103 HydrophobicContact CD2-CZ3 4.05Å; L91-L120 HydrophobicContact CD2-CD2 3.55Å; L91-L120 HydrophobicContact CG-CD2 3.67Å; L91-V123 HydrophobicContact CD2-CB 4.1Å; L91-V123 HydrophobicContact CD2-CG1 3.61Å; L91-V123 HydrophobicContact CD2-CG2 4.06Å
92	P	85.5	Confident	89.3	Confident	18 Å²	18	57.9 Å²	57.9	12%	0.117	30%	0.302	C	S	.	.			trans	-56.6	136.5	169.1	-28.9	38.8	0	0	0	111.1	A45 V85 F87 L90 L94 W103	A45-P92 HydrophobicContact CB-CB 3.71Å; A45-P92 HydrophobicContact CB-CG 3.32Å; V85-P92 HydrophobicContact CG1-CB 4.12Å; V85-P92 HydrophobicContact CG1-CG 3.76Å; F87-P92 HydrophobicContact CB-CG 3.54Å; F87-P92 HydrophobicContact CD1-CG 4.19Å; F87-P92 HydrophobicContact CD2-CG 4.46Å; F87-P92 HydrophobicContact CG-CG 3.83Å; L90-P92 VanDerWaalsContact O-CD 3.25Å; L90-P92 WeakPolarHBondContact O-CD 3.46Å; P92-L94 HydrophobicContact CB-CG 4.3Å; P92-L94 PolarHBondContact O-N 3.33Å; P92-W103 HydrophobicContact CB-CH2 4.48Å; P92-W103 HydrophobicContact CB-CZ3 4.47Å; P92-W103 HydrophobicContact CG-CZ3 4.27Å
93	V	83.6	Confident	89.4	Confident	148 Å²	148	58.4 Å²	58.4	90%	0.897	30%	0.304	S	S	*	.			trans	-83.1	98.6	170.9	-178	0	0	0	0	107.4	L91	L91-V93 PolarHBondContact O-N 3.44Å
94	L	82.4	Confident	89.5	Confident	33 Å²	33	57 Å²	57	17%	0.173	30%	0.296	C	S	.	.			trans	-108.9	145.7	173.4	-67.2	-177.6	0	0	0	111	L43 L75 P82 V85 P92 R96 W103	L43-L94 HydrophobicContact CD2-CD2 3.6Å; L75-L94 HydrophobicContact CD1-CD2 4.02Å; P82-L94 HydrophobicContact CG-CD1 4.41Å; V85-L94 HydrophobicContact CG1-CD1 4.25Å; V85-L94 HydrophobicContact CG2-CD1 3.6Å; P92-L94 HydrophobicContact CB-CG 4.3Å; P92-L94 PolarHBondContact O-N 3.33Å; L94-R96 PolarHBondContact O-N 3.25Å; L94-W103 HydrophobicContact CD1-CH2 4.31Å; L94-W103 HydrophobicContact CD1-CZ2 3.8Å
95	P	75.8	Confident	89.5	Confident	85 Å²	85	57 Å²	57	55%	0.552	30%	0.296	S	S	*	.	S	Bend	trans	-59.2	-34.9	178.2	-6.4	9.2	0	0	0	112.4	P78	P78-P95 WeakPolarHBondContact O-CG 2.92Å
96	R	77.6	Confident	89.6	Confident	173 Å²	173	57.2 Å²	57.2	65%	0.653	30%	0.297	S	S	*	.			trans	-145.8	146.9	178.1	-60.2	-177	-174	166.2	5.3	110.4	L94 D98 Q101	L94-R96 PolarHBondContact O-N 3.25Å; R96-D98 WeakPolarHBondContact CB-OD1 3.35Å; R96-Q101 PolarHBondContact O-NE2 3.19Å
97	R	84.2	Confident	89.6	Confident	118 Å²	118	57.2 Å²	57.2	45%	0.445	30%	0.297	S	S	.	.			trans	-105.7	82.7	168.4	-175	172.6	179	-145.8	-7	108.7	W103 V123	R97-W103 HydrophobicContact CB-CZ2 4.17Å; R97-W103 HydrophobicContact CG-CZ2 3.78Å; R97-V123 PolarHBondContact NH2-O 2.82Å
98	D	89.6	Confident	89.6	Confident	56 Å²	56	59.3 Å²	59.3	30%	0.299	31%	0.308	S	S	.	.			trans	-70	148	-177.5	-69.4	-9.3	0	0	0	110.9	S81 R96 H100 Q101	S81-D98 VanDerWaalsContact CB-OD2 3.24Å; S81-D98 WeakPolarHBondContact CB-OD2 3.34Å; S81-D98 PolarHBondContact OG-OD2 3.08Å; R96-D98 WeakPolarHBondContact CB-OD1 3.35Å; D98-H100 WeakPolarHBondContact CB-CE1 3.31Å; D98-H100 WeakPolarHBondContact CB-ND1 3.46Å; D98-H100 PolarHBondContact O-N 3.38Å; D98-H100 VanDerWaalsContact O-N 3.09Å; D98-H100 IonicContact OD2-CE1 3.6Å; D98-Q101 HydrophobicContact CB-CG 4.07Å; D98-Q101 WeakPolarHBondContact O-CB 3.23Å; D98-Q101 WeakPolarHBondContact O-CG 3.47Å; D98-Q101 PolarHBondContact O-N 3.33Å
99	A	89.2	Confident	89.8	Confident	117 Å²	117	60.7 Å²	60.7	97%	0.967	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-20.1	-172.5	0	0	0	0	0	114.6
100	H	91.3	Very high	90.2	Very high	92 Å²	92	56.4 Å²	56.4	43%	0.426	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-17.5	177.2	69.5	-88.1	0	0	0	113.1	S81 D98 I102	S81-H100 PolarHBondContact OG-CE1 3.24Å; S81-H100 PolarHBondContact OG-NE2 3.08Å; S81-H100 VanDerWaalsContact OG-NE2 3.15Å; D98-H100 WeakPolarHBondContact CB-CE1 3.31Å; D98-H100 WeakPolarHBondContact CB-ND1 3.46Å; D98-H100 PolarHBondContact O-N 3.38Å; D98-H100 VanDerWaalsContact O-N 3.09Å; D98-H100 IonicContact OD2-CE1 3.6Å; H100-I102 PolarHBondContact O-N 3.33Å
101	Q	93.9	Very high	90.7	Very high	5 Å²	5	50 Å²	50	2%	0.023	27%	0.266	C	S	.	.			trans	-67.7	134.2	-173.8	-60.7	-177	-19.2	0	0	111.1	S81 P82 D83 R96 D98 N125	S81-Q101 PolarHBondContact OG-NE2 3.27Å; P82-Q101 WeakPolarHBondContact O-CG 3.34Å; D83-Q101 WeakPolarHBondContact O-CA 3.3Å; R96-Q101 PolarHBondContact O-NE2 3.19Å; D98-Q101 HydrophobicContact CB-CG 4.07Å; D98-Q101 WeakPolarHBondContact O-CB 3.23Å; D98-Q101 WeakPolarHBondContact O-CG 3.47Å; D98-Q101 PolarHBondContact O-N 3.33Å; Q101-N125 PolarHBondContact O-OD1 3.5Å
102	I	95.9	Very high	91.1	Very high	14 Å²	14	49.1 Å²	49.1	7%	0.072	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	111.5	172.5	-57.2	-58.9	0	0	0	110	D83 A84 V85 H100 I104 N125 W126 L318 P321	D83-I102 PolarHBondContact O-N 3.47Å; A84-I102 CarbonylContact C-O 3.54Å; A84-I102 VanDerWaalsContact CA-O 3.25Å; A84-I102 WeakPolarHBondContact CA-O 3.34Å; A84-I102 HydrophobicContact CB-CB 4.47Å; V85-I102 PolarHBondContact N-O 3.03Å; H100-I102 PolarHBondContact O-N 3.33Å; I102-I104 HydrophobicContact CG2-CD1 4.26Å; I102-I104 HydrophobicContact CG2-CG1 3.9Å; I102-N125 HydrophobicContact CG2-CB 4.11Å; I102-W126 HydrophobicContact CD1-CZ2 4.4Å; I102-W126 HydrophobicContact CG1-CH2 4.44Å; I102-W126 HydrophobicContact CG1-CZ2 4.38Å; I102-W126 HydrophobicContact CG2-CB 4.4Å; I102-W126 HydrophobicContact CG2-CD2 3.4Å; I102-W126 HydrophobicContact CG2-CE3 3.51Å; I102-W126 HydrophobicContact CG2-CG 3.83Å; I102-W126 HydrophobicContact CG2-CH2 4.17Å; I102-W126 HydrophobicContact CG2-CZ2 4.09Å; I102-W126 HydrophobicContact CG2-CZ3 3.91Å; I102-L318 HydrophobicContact CB-CD2 4.04Å; I102-L318 HydrophobicContact CG1-CD2 4.08Å; I102-L318 HydrophobicContact CG2-CD2 4.37Å; I102-P321 HydrophobicContact CD1-CB 4.02Å; I102-P321 HydrophobicContact CG1-CB 4.14Å
103	W	96.1	Very high	91.5	Very high	11 Å²	11	51 Å²	51	4%	0.042	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	118.1	179.4	-74.2	56.5	0	0	0	110.1	V85 F87 L91 P92 L94 R97 V123 N125 W126	V85-W103 HydrophobicContact CB-CD2 4.47Å; F87-W103 HydrophobicContact CD1-CE3 4.36Å; F87-W103 HydrophobicContact CE1-CB 3.88Å; F87-W103 HydrophobicContact CE1-CD2 4.44Å; F87-W103 AromaticContact CE1-CE3 3.83Å; F87-W103 HydrophobicContact CE1-CE3 3.83Å; F87-W103 HydrophobicContact CZ-CE3 4.09Å; L91-W103 HydrophobicContact CD2-CZ3 4.05Å; P92-W103 HydrophobicContact CB-CH2 4.48Å; P92-W103 HydrophobicContact CB-CZ3 4.47Å; P92-W103 HydrophobicContact CG-CZ3 4.27Å; L94-W103 HydrophobicContact CD1-CH2 4.31Å; L94-W103 HydrophobicContact CD1-CZ2 3.8Å; R97-W103 HydrophobicContact CB-CZ2 4.17Å; R97-W103 HydrophobicContact CG-CZ2 3.78Å; W103-V123 HydrophobicContact CD2-CG1 4.16Å; W103-V123 HydrophobicContact CE3-CG1 3.54Å; W103-V123 HydrophobicContact CZ3-CG1 3.95Å; W103-N125 WeakPolarHBondContact CB-OD1 3.42Å; W103-N125 PolarHBondContact N-OD1 2.92Å; W103-N125 PolarHBondContact O-N 3.47Å; W103-W126 PolarHBondContact O-N 3.32Å
104	I	97.1	Very high	92.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	114.7	-169.5	-48.6	-178.3	0	0	0	110.5	A84 V85 I86 F87 I102 W126 A128 L314	A84-I104 HydrophobicContact CB-CD1 4.2Å; V85-I104 PolarHBondContact O-N 3.18Å; I86-I104 WeakPolarHBondContact CA-O 3.38Å; I86-I104 HydrophobicContact CG1-CB 4.22Å; I86-I104 HydrophobicContact CG1-CD1 4.29Å; F87-I104 WeakPolarHBondContact CD1-O 3.29Å; F87-I104 PolarHBondContact N-O 3.17Å; I102-I104 HydrophobicContact CG2-CD1 4.26Å; I102-I104 HydrophobicContact CG2-CG1 3.9Å; I104-W126 VanDerWaalsContact CA-O 3.29Å; I104-W126 WeakPolarHBondContact CA-O 3.43Å; I104-W126 HydrophobicContact CD1-CE3 4.01Å; I104-W126 HydrophobicContact CG1-CB 4.24Å; I104-W126 HydrophobicContact CG1-CE3 4.42Å; I104-W126 HydrophobicContact CG2-CB 4.4Å; I104-A128 HydrophobicContact CG2-CB 3.6Å; I104-L314 HydrophobicContact CD1-CD1 3.54Å
105	F	97.1	Very high	92.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	124.3	171	170.4	-108.4	0	0	0	110.7	F87 R88 F117 L120 V124 W126 T127 A128 T129 L329 W332 W333	F87-F105 WeakPolarHBondContact O-CA 3.41Å; R88-F105 WeakPolarHBondContact O-CD2 3.11Å; R88-F105 VanDerWaalsContact O-CE2 3.23Å; R88-F105 WeakPolarHBondContact O-CE2 3.16Å; F105-F117 HydrophobicContact CE2-CD1 4.3Å; F105-F117 HydrophobicContact CE2-CD2 4.05Å; F105-F117 AromaticContact CE2-CE1 3.99Å; F105-F117 HydrophobicContact CE2-CE1 3.99Å; F105-F117 AromaticContact CE2-CE2 3.72Å; F105-F117 HydrophobicContact CE2-CE2 3.72Å; F105-F117 HydrophobicContact CE2-CG 4.34Å; F105-F117 AromaticContact CE2-CZ 3.68Å; F105-F117 HydrophobicContact CE2-CZ 3.68Å; F105-F117 AromaticContact CZ-CD2 3.91Å; F105-F117 HydrophobicContact CZ-CD2 3.91Å; F105-F117 AromaticContact CZ-CE2 3.46Å; F105-F117 HydrophobicContact CZ-CE2 3.46Å; F105-F117 VanDerWaalsContact CZ-CE2 3.46Å; F105-F117 AromaticContact CZ-CZ 3.83Å; F105-F117 HydrophobicContact CZ-CZ 3.83Å; F105-L120 HydrophobicContact CD2-CD1 4.31Å; F105-V124 HydrophobicContact CB-CG1 3.71Å; F105-V124 HydrophobicContact CB-CG2 4.22Å; F105-W126 PolarHBondContact N-O 2.94Å; F105-T127 HydrophobicContact CD1-CG2 4.44Å; F105-A128 PolarHBondContact O-N 2.92Å; F105-T129 HydrophobicContact CD1-CG2 3.71Å; F105-T129 HydrophobicContact CE1-CG2 3.68Å; F105-L329 HydrophobicContact CB-CD1 4.34Å; F105-L329 HydrophobicContact CB-CD2 4.06Å; F105-L329 HydrophobicContact CD1-CD1 4.06Å; F105-L329 HydrophobicContact CD1-CD2 4.14Å; F105-L329 HydrophobicContact CD2-CD2 3.77Å; F105-L329 HydrophobicContact CE2-CD2 4.21Å; F105-L329 HydrophobicContact CG-CD1 4.25Å; F105-L329 HydrophobicContact CG-CD2 3.71Å; F105-W332 HydrophobicContact CD1-CZ3 4.28Å; F105-W332 HydrophobicContact CE1-CZ3 4.37Å; F105-W333 HydrophobicContact CE1-CD2 4.07Å; F105-W333 AromaticContact CE1-CE3 3.84Å; F105-W333 HydrophobicContact CE1-CE3 3.84Å; F105-W333 HydrophobicContact CE1-CH2 4.31Å; F105-W333 AromaticContact CE1-CZ3 3.97Å; F105-W333 HydrophobicContact CE1-CZ3 3.97Å; F105-W333 HydrophobicContact CZ-CD2 4.32Å; F105-W333 HydrophobicContact CZ-CE3 4.5Å; F105-W333 HydrophobicContact CZ-CZ2 4.44Å
106	F	96.5	Very high	93.6	Very high	5 Å²	5	45.5 Å²	45.5	2%	0.022	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125.3	178.5	-177.3	-81	0	0	0	112.2	L49 L53 I86 F87 R88 L108 A128 I138	L49-F106 HydrophobicContact CD2-CB 4.5Å; L49-F106 HydrophobicContact CD2-CD1 3.55Å; L49-F106 HydrophobicContact CD2-CE1 3.99Å; L49-F106 HydrophobicContact CD2-CG 4.15Å; L53-F106 HydrophobicContact CD1-CD2 4.38Å; L53-F106 HydrophobicContact CD1-CE1 4.36Å; L53-F106 HydrophobicContact CD1-CE2 4.04Å; L53-F106 HydrophobicContact CD1-CZ 4.03Å; L53-F106 HydrophobicContact CD2-CZ 4.18Å; I86-F106 HydrophobicContact CG2-CB 3.57Å; I86-F106 HydrophobicContact CG2-CD2 4.37Å; I86-F106 HydrophobicContact CG2-CG 4.2Å; F87-F106 PolarHBondContact O-N 3.13Å; R88-F106 WeakPolarHBondContact CG-O 2.79Å; F106-L108 HydrophobicContact CE1-CD1 4.45Å; F106-L108 HydrophobicContact CE1-CG 4.08Å; F106-L108 HydrophobicContact CZ-CD1 4.14Å; F106-L108 HydrophobicContact CZ-CG 4Å; F106-A128 WeakPolarHBondContact CA-O 3.38Å; F106-A128 HydrophobicContact CD2-CB 4.2Å; F106-A128 WeakPolarHBondContact CD2-O 3.44Å; F106-I138 HydrophobicContact CD2-CD1 3.94Å; F106-I138 HydrophobicContact CE2-CD1 3.46Å; F106-I138 VanDerWaalsContact CE2-CD1 3.46Å; F106-I138 HydrophobicContact CZ-CD1 4.41Å
107	S	95.6	Very high	94.4	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.007	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	132.7	172.4	-178.7	0	0	0	0	112.5	E109 A128 T129 Y130	S107-E109 PolarHBondContact OG-N 3.23Å; S107-E109 PolarHBondContact OG-O 2.86Å; S107-A128 PolarHBondContact N-O 2.96Å; S107-T129 WeakPolarHBondContact O-CA 3.49Å; S107-T129 WeakPolarHBondContact O-CB 3.31Å; S107-Y130 PolarHBondContact O-N 3.4Å
108	L	95.8	Very high	94.9	Very high	45 Å²	45	34 Å²	34	24%	0.236	21%	0.208	C	C	.	.			trans	-107.9	8.5	169.6	-60.4	-177.7	0	0	0	112.7	F106 I138 Y140 Y232	F106-L108 HydrophobicContact CE1-CD1 4.45Å; F106-L108 HydrophobicContact CE1-CG 4.08Å; F106-L108 HydrophobicContact CZ-CD1 4.14Å; F106-L108 HydrophobicContact CZ-CG 4Å; L108-I138 HydrophobicContact CD2-CB 4.08Å; L108-I138 HydrophobicContact CD2-CG2 4.15Å; L108-Y140 HydrophobicContact CB-CE2 4.02Å; L108-Y140 WeakPolarHBondContact CB-OH 3.45Å; L108-Y140 PolarHBondContact O-OH 3.04Å; L108-Y232 WeakPolarHBondContact O-CE2 3.28Å
109	E	96.1	Very high	95.1	Very high	56 Å²	56	35.2 Å²	35.2	26%	0.262	21%	0.214	S	C	.	.	S	Bend	trans	-102	154.9	177.9	-173.3	53.5	-89.5	0	0	110.9	S107 N113 T114 Y130 Y232 W333	S107-E109 PolarHBondContact OG-N 3.23Å; S107-E109 PolarHBondContact OG-O 2.86Å; E109-N113 HydrophobicContact CG-CB 3.55Å; E109-T114 HydrophobicContact CB-CG2 4.05Å; E109-T114 HydrophobicContact CG-CG2 4.13Å; E109-Y130 VanDerWaalsContact O-CE1 3.24Å; E109-Y130 WeakPolarHBondContact O-CE1 3.31Å; E109-Y232 PolarHBondContact OE1-OH 2.92Å; E109-W333 VanDerWaalsContact O-CH2 3.28Å; E109-W333 WeakPolarHBondContact O-CH2 3.42Å; E109-W333 WeakPolarHBondContact O-CZ2 3.39Å
110	S	97.1	Very high	95.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.168	C	C	.	.			trans	-72.1	156.5	-177.6	84.1	0	0	0	0	113.2	L112 N113 T114 S227	S110-L112 PolarHBondContact O-N 3.46Å; S110-L112 VanDerWaalsContact O-N 3.11Å; S110-L112 PolarHBondContact OG-N 3.39Å; S110-N113 CarbonylContact O-C 3.59Å; S110-N113 PolarHBondContact O-N 3.41Å; S110-N113 PolarHBondContact OG-N 3.2Å; S110-N113 PolarHBondContact OG-ND2 3.22Å; S110-T114 WeakPolarHBondContact O-CG2 3.47Å; S110-T114 PolarHBondContact O-N 2.9Å; S110-T114 PolarHBondContact O-OG1 3.4Å; S110-S227 VanDerWaalsContact OG-CB 3.3Å; S110-S227 WeakPolarHBondContact OG-CB 3.28Å; S110-S227 PolarHBondContact OG-OG 3.15Å
111	P	96.8	Very high	95.5	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-57.1	-24.5	173.9	-28.5	34.1	0	0	0	115	T114 Y130 W333 R334 V338	P111-T114 WeakPolarHBondContact CA-OG1 3.15Å; P111-T114 PolarHBondContact O-OG1 3.19Å; P111-Y130 WeakPolarHBondContact CD-OH 3.25Å; P111-W333 HydrophobicContact CG-CD2 4.23Å; P111-W333 HydrophobicContact CG-CZ2 4.22Å; P111-W333 WeakPolarHBondContact CG-O 3.48Å; P111-R334 HydrophobicContact CB-CB 4.28Å; P111-R334 HydrophobicContact CB-CG 4.18Å; P111-R334 PolarHBondContact O-NE 3.09Å; P111-R334 PolarHBondContact O-NH2 3.11Å; P111-V338 HydrophobicContact CG-CG1 3.96Å
112	L	95.5	Very high	95.6	Very high	55 Å²	55	29.5 Å²	29.5	29%	0.288	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-84.5	-13.2	178.2	-59.4	-178.1	0	0	0	113.4	S110 M176 C339	S110-L112 PolarHBondContact O-N 3.46Å; S110-L112 VanDerWaalsContact O-N 3.11Å; S110-L112 PolarHBondContact OG-N 3.39Å; L112-M176 HydrophobicContact CB-CB 4.1Å; L112-M176 HydrophobicContact CB-CG 4.05Å; L112-M176 HydrophobicContact CD1-CB 3.87Å; L112-C339 HydrophobicContact CD1-CB 3.96Å; L112-C339 HydrophobicContact CD2-CB 4.15Å; L112-C339 HydrophobicContact CG-CB 3.92Å
113	N	95.1	Very high	95.5	Very high	56 Å²	56	29.8 Å²	29.8	30%	0.299	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-115.1	21.8	177.5	-66.7	-82.7	0	0	0	112	E109 S110 N226 S227	E109-N113 HydrophobicContact CG-CB 3.55Å; S110-N113 CarbonylContact O-C 3.59Å; S110-N113 PolarHBondContact O-N 3.41Å; S110-N113 PolarHBondContact OG-N 3.2Å; S110-N113 PolarHBondContact OG-ND2 3.22Å; N113-N226 PolarHBondContact ND2-ND2 3.42Å; N113-S227 PolarHBondContact ND2-OG 2.57Å
114	T	95.4	Very high	95.5	Very high	16 Å²	16	29.2 Å²	29.2	10%	0.098	18%	0.18	C	C	.	.	S	Bend	trans	-124.2	153.2	176.4	43	0	0	0	0	110	Y89 E109 S110 P111 F117 W333 R334	Y89-T114 HydrophobicContact CE1-CG2 4.43Å; E109-T114 HydrophobicContact CB-CG2 4.05Å; E109-T114 HydrophobicContact CG-CG2 4.13Å; S110-T114 WeakPolarHBondContact O-CG2 3.47Å; S110-T114 PolarHBondContact O-N 2.9Å; S110-T114 PolarHBondContact O-OG1 3.4Å; P111-T114 WeakPolarHBondContact CA-OG1 3.15Å; P111-T114 PolarHBondContact O-OG1 3.19Å; T114-F117 HydrophobicContact CG2-CE2 4.26Å; T114-F117 HydrophobicContact CG2-CZ 4.18Å; T114-W333 HydrophobicContact CG2-CZ2 4.24Å; T114-W333 PolarHBondContact OG1-NE1 3.5Å; T114-R334 PolarHBondContact O-NH2 3.28Å
115	P	94.7	Very high	95.5	Very high	68 Å²	68	30 Å²	30	44%	0.442	18%	0.184	S	C	.	.			trans	-66.3	-178.6	173.3	31.3	-36.1	0	0	0	111.2	Y89 F117 R334	Y89-P115 HydrophobicContact CD1-CG 3.71Å; Y89-P115 HydrophobicContact CE1-CG 4.19Å; P115-F117 HydrophobicContact CG-CE1 3.89Å; P115-F117 HydrophobicContact CG-CZ 4.2Å; P115-R334 PolarHBondContact O-NH2 3.5Å
116	S	94.6	Very high	95.5	Very high	67 Å²	67	30.4 Å²	30.4	47%	0.469	19%	0.185	S	C	.	.			trans	-71.8	143.7	164.2	-179	0	0	0	0	110.4	A118 E330	S116-A118 PolarHBondContact OG-N 3.24Å; S116-E330 VanDerWaalsContact CA-OE2 3.29Å; S116-E330 WeakPolarHBondContact CA-OE2 3.46Å; S116-E330 PolarHBondContact OG-OE2 3.16Å
117	F	95.6	Very high	95.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.184	C	C	.	.			trans	-111.7	19.7	175.2	-62.5	-52	0	0	0	112.5	Y89 F105 T114 P115 N119 L120 L329 E330 W333	Y89-F117 AromaticContact CD1-CE1 3.8Å; Y89-F117 HydrophobicContact CD1-CE1 3.8Å; Y89-F117 AromaticContact CD1-CZ 3.96Å; Y89-F117 HydrophobicContact CD1-CZ 3.96Å; Y89-F117 HydrophobicContact CE1-CZ 4.24Å; F105-F117 HydrophobicContact CE2-CD1 4.3Å; F105-F117 HydrophobicContact CE2-CD2 4.05Å; F105-F117 AromaticContact CE2-CE1 3.99Å; F105-F117 HydrophobicContact CE2-CE1 3.99Å; F105-F117 AromaticContact CE2-CE2 3.72Å; F105-F117 HydrophobicContact CE2-CE2 3.72Å; F105-F117 HydrophobicContact CE2-CG 4.34Å; F105-F117 AromaticContact CE2-CZ 3.68Å; F105-F117 HydrophobicContact CE2-CZ 3.68Å; F105-F117 AromaticContact CZ-CD2 3.91Å; F105-F117 HydrophobicContact CZ-CD2 3.91Å; F105-F117 AromaticContact CZ-CE2 3.46Å; F105-F117 HydrophobicContact CZ-CE2 3.46Å; F105-F117 VanDerWaalsContact CZ-CE2 3.46Å; F105-F117 AromaticContact CZ-CZ 3.83Å; F105-F117 HydrophobicContact CZ-CZ 3.83Å; T114-F117 HydrophobicContact CG2-CE2 4.26Å; T114-F117 HydrophobicContact CG2-CZ 4.18Å; P115-F117 HydrophobicContact CG-CE1 3.89Å; P115-F117 HydrophobicContact CG-CZ 4.2Å; F117-N119 WeakPolarHBondContact CA-OD1 3.2Å; F117-N119 PolarHBondContact O-N 2.85Å; F117-L120 HydrophobicContact CB-CD1 4.08Å; F117-L120 HydrophobicContact CB-CG 4.33Å; F117-L120 HydrophobicContact CD1-CD1 3.69Å; F117-L120 HydrophobicContact CD1-CG 4.46Å; F117-L120 HydrophobicContact CE1-CD1 4.48Å; F117-L120 HydrophobicContact CG-CD1 4.15Å; F117-L120 WeakPolarHBondContact O-CA 3.06Å; F117-L120 WeakPolarHBondContact O-CB 3.25Å; F117-L120 PolarHBondContact O-N 3.09Å; F117-L329 HydrophobicContact CB-CD2 3.94Å; F117-L329 HydrophobicContact CB-CG 4.42Å; F117-L329 HydrophobicContact CG-CD2 4.34Å; F117-E330 PolarHBondContact N-OE2 3.03Å; F117-W333 AromaticContact CD2-CD1 3.48Å; F117-W333 VanDerWaalsContact CD2-CD1 3.48Å; F117-W333 HydrophobicContact CD2-CG 4.02Å; F117-W333 AromaticContact CD2-NE1 3.82Å; F117-W333 AromaticContact CE2-CD1 3.62Å; F117-W333 HydrophobicContact CE2-CG 4.3Å; F117-W333 AromaticContact CE2-NE1 3.42Å
118	A	94.8	Very high	95.7	Very high	50 Å²	50	30.1 Å²	30.1	41%	0.413	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-58.8	-28.7	177.1	0	0	0	0	0	112.5	S116 L120 N121 E330	S116-A118 PolarHBondContact OG-N 3.24Å; A118-L120 PolarHBondContact O-N 2.88Å; A118-N121 VanDerWaalsContact O-CB 3.32Å; A118-N121 WeakPolarHBondContact O-CB 3.43Å; A118-N121 VanDerWaalsContact O-CG 3.29Å; A118-N121 PolarHBondContact O-N 3.07Å; A118-E330 HydrophobicContact CB-CB 4.39Å; A118-E330 HydrophobicContact CB-CG 4.47Å
119	N	93.2	Very high	95.8	Very high	81 Å²	81	28 Å²	28	43%	0.433	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-66.3	-13.3	172.5	65.6	-41.3	0	0	0	114.1	F117	F117-N119 WeakPolarHBondContact CA-OD1 3.2Å; F117-N119 PolarHBondContact O-N 2.85Å
120	L	94.4	Very high	95.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-102.5	0.3	179	-51.5	-176.2	0	0	0	112.7	F87 L91 F105 F117 A118 V123 V124 L329	F87-L120 HydrophobicContact CD2-CD1 4.48Å; F87-L120 HydrophobicContact CE2-CD1 3.84Å; F87-L120 HydrophobicContact CE2-CD2 3.94Å; F87-L120 HydrophobicContact CE2-CG 4.39Å; L91-L120 HydrophobicContact CD2-CD2 3.55Å; L91-L120 HydrophobicContact CG-CD2 3.67Å; F105-L120 HydrophobicContact CD2-CD1 4.31Å; F117-L120 HydrophobicContact CB-CD1 4.08Å; F117-L120 HydrophobicContact CB-CG 4.33Å; F117-L120 HydrophobicContact CD1-CD1 3.69Å; F117-L120 HydrophobicContact CD1-CG 4.46Å; F117-L120 HydrophobicContact CE1-CD1 4.48Å; F117-L120 HydrophobicContact CG-CD1 4.15Å; F117-L120 WeakPolarHBondContact O-CA 3.06Å; F117-L120 WeakPolarHBondContact O-CB 3.25Å; F117-L120 PolarHBondContact O-N 3.09Å; A118-L120 PolarHBondContact O-N 2.88Å; L120-V123 WeakPolarHBondContact O-CB 3.37Å; L120-V123 PolarHBondContact O-N 3.17Å; L120-V123 VanDerWaalsContact O-N 3.16Å; L120-V124 HydrophobicContact CB-CG2 4.02Å; L120-L329 HydrophobicContact CB-CD2 3.88Å; L120-L329 HydrophobicContact CD1-CD2 3.79Å; L120-L329 HydrophobicContact CG-CD2 4.46Å
121	N	95.2	Very high	95.8	Very high	57 Å²	57	25.7 Å²	25.7	31%	0.305	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	136.2	177	-71.8	-5.4	0	0	0	110.9	A118 V123 D327 S328 L329 E330	A118-N121 VanDerWaalsContact O-CB 3.32Å; A118-N121 WeakPolarHBondContact O-CB 3.43Å; A118-N121 VanDerWaalsContact O-CG 3.29Å; A118-N121 PolarHBondContact O-N 3.07Å; N121-V123 PolarHBondContact O-N 3Å; N121-D327 WeakPolarHBondContact CB-O 3.24Å; N121-S328 PolarHBondContact ND2-OG 3.11Å; N121-S328 WeakPolarHBondContact OD1-CA 3.48Å; N121-L329 PolarHBondContact OD1-N 3.43Å; N121-E330 PolarHBondContact OD1-N 3.15Å; N121-E330 VanDerWaalsContact OD1-N 3.11Å
122	G	94.9	Very high	95.7	Very high	37 Å²	37	25.7 Å²	25.7	38%	0.381	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	3.3	-176.3	0	0	0	0	0	115	T325 Y326 D327	G122-T325 WeakPolarHBondContact O-CG2 3.33Å; G122-Y326 WeakPolarHBondContact CA-O 3.46Å; G122-Y326 PolarHBondContact N-O 2.85Å; G122-D327 PolarHBondContact N-O 2.87Å
123	V	93.9	Very high	95.7	Very high	20 Å²	20	25.4 Å²	25.4	12%	0.121	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-39.6	179.6	-178.2	0	0	0	0	112.2	L91 R97 W103 L120 N121 N125	L91-V123 HydrophobicContact CD2-CB 4.1Å; L91-V123 HydrophobicContact CD2-CG1 3.61Å; L91-V123 HydrophobicContact CD2-CG2 4.06Å; R97-V123 PolarHBondContact NH2-O 2.82Å; W103-V123 HydrophobicContact CD2-CG1 4.16Å; W103-V123 HydrophobicContact CE3-CG1 3.54Å; W103-V123 HydrophobicContact CZ3-CG1 3.95Å; L120-V123 WeakPolarHBondContact O-CB 3.37Å; L120-V123 PolarHBondContact O-N 3.17Å; L120-V123 VanDerWaalsContact O-N 3.16Å; N121-V123 PolarHBondContact O-N 3Å; V123-N125 PolarHBondContact O-N 3Å
124	V	96.1	Very high	95.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	15%	0.146	C	C	.	.			trans	-77.5	124.6	-170.1	179.6	0	0	0	0	110.5	F87 F105 L120 W126 T127 T325 Y326 L329	F87-V124 HydrophobicContact CE2-CG2 4.35Å; F87-V124 HydrophobicContact CZ-CG2 3.75Å; F105-V124 HydrophobicContact CB-CG1 3.71Å; F105-V124 HydrophobicContact CB-CG2 4.22Å; L120-V124 HydrophobicContact CB-CG2 4.02Å; V124-W126 WeakPolarHBondContact CG1-O 3.27Å; V124-T127 HydrophobicContact CG1-CG2 4.26Å; V124-T325 WeakPolarHBondContact O-CA 3.31Å; V124-Y326 HydrophobicContact CG1-CD2 4.33Å; V124-Y326 PolarHBondContact O-N 3.18Å; V124-L329 HydrophobicContact CB-CD1 4.38Å; V124-L329 HydrophobicContact CG1-CD1 4.2Å; V124-L329 HydrophobicContact CG2-CB 4.28Å; V124-L329 HydrophobicContact CG2-CD1 4.36Å; V124-L329 HydrophobicContact CG2-CD2 3.66Å; V124-L329 HydrophobicContact CG2-CG 4.3Å
125	N	97.3	Very high	95.9	Very high	16 Å²	16	23 Å²	23	9%	0.086	15%	0.147	C	C	.	.			trans	-84.4	-54.2	174.3	-60.4	105.9	0	0	0	110.5	Q101 I102 W103 V123 K324 T325	Q101-N125 PolarHBondContact O-OD1 3.5Å; I102-N125 HydrophobicContact CG2-CB 4.11Å; W103-N125 WeakPolarHBondContact CB-OD1 3.42Å; W103-N125 PolarHBondContact N-OD1 2.92Å; W103-N125 PolarHBondContact O-N 3.47Å; V123-N125 PolarHBondContact O-N 3Å; N125-K324 VanDerWaalsContact CA-O 3.24Å; N125-K324 WeakPolarHBondContact CA-O 3.25Å; N125-K324 VanDerWaalsContact CB-O 3.3Å; N125-K324 WeakPolarHBondContact CB-O 3.48Å; N125-K324 PolarHBondContact ND2-O 3.44Å; N125-T325 PolarHBondContact ND2-OG1 3.39Å
126	W	98	Very high	95.9	Very high	8 Å²	8	19.8 Å²	19.8	3%	0.03	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	158.4	-178.5	-62.3	-13.5	0	0	0	112.7	I102 W103 I104 F105 V124 D135 I136 L314 M317 L318 P321	I102-W126 HydrophobicContact CD1-CZ2 4.4Å; I102-W126 HydrophobicContact CG1-CH2 4.44Å; I102-W126 HydrophobicContact CG1-CZ2 4.38Å; I102-W126 HydrophobicContact CG2-CB 4.4Å; I102-W126 HydrophobicContact CG2-CD2 3.4Å; I102-W126 HydrophobicContact CG2-CE3 3.51Å; I102-W126 HydrophobicContact CG2-CG 3.83Å; I102-W126 HydrophobicContact CG2-CH2 4.17Å; I102-W126 HydrophobicContact CG2-CZ2 4.09Å; I102-W126 HydrophobicContact CG2-CZ3 3.91Å; W103-W126 PolarHBondContact O-N 3.32Å; I104-W126 VanDerWaalsContact CA-O 3.29Å; I104-W126 WeakPolarHBondContact CA-O 3.43Å; I104-W126 HydrophobicContact CD1-CE3 4.01Å; I104-W126 HydrophobicContact CG1-CB 4.24Å; I104-W126 HydrophobicContact CG1-CE3 4.42Å; I104-W126 HydrophobicContact CG2-CB 4.4Å; F105-W126 PolarHBondContact N-O 2.94Å; V124-W126 WeakPolarHBondContact CG1-O 3.27Å; W126-D135 VanDerWaalsContact CA-OD2 3.27Å; W126-D135 WeakPolarHBondContact CA-OD2 3.3Å; W126-D135 HydrophobicContact CB-CB 3.94Å; W126-D135 HydrophobicContact CG-CB 4.22Å; W126-I136 HydrophobicContact CE3-CD1 4.08Å; W126-L314 HydrophobicContact CE3-CD1 4.42Å; W126-L314 HydrophobicContact CZ3-CD1 4.22Å; W126-M317 HydrophobicContact CE3-CE 4.46Å; W126-M317 HydrophobicContact CH2-CB 3.98Å; W126-M317 HydrophobicContact CZ3-CB 3.99Å; W126-M317 HydrophobicContact CZ3-CE 4.44Å; W126-L318 HydrophobicContact CE3-CD2 4.49Å; W126-L318 HydrophobicContact CH2-CD2 3.85Å; W126-L318 HydrophobicContact CH2-CG 4.39Å; W126-L318 HydrophobicContact CZ3-CD2 3.56Å; W126-L318 HydrophobicContact CZ3-CG 3.98Å; W126-P321 HydrophobicContact CH2-CB 4.09Å; W126-P321 HydrophobicContact CZ2-CB 3.89Å
127	T	97.8	Very high	96	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.9	176.6	51.9	0	0	0	0	110.9	F105 V124 S134 D135 I136 Y326 L329 W332	F105-T127 HydrophobicContact CD1-CG2 4.44Å; V124-T127 HydrophobicContact CG1-CG2 4.26Å; T127-S134 WeakPolarHBondContact O-CB 3.49Å; T127-S134 VanDerWaalsContact OG1-CA 3.29Å; T127-S134 WeakPolarHBondContact OG1-CA 3.41Å; T127-D135 PolarHBondContact N-OD2 3.07Å; T127-D135 PolarHBondContact O-N 3.38Å; T127-D135 VanDerWaalsContact O-N 3.1Å; T127-D135 PolarHBondContact OG1-N 2.98Å; T127-D135 PolarHBondContact OG1-OD2 3Å; T127-I136 PolarHBondContact O-N 2.95Å; T127-Y326 HydrophobicContact CG2-CD2 4.24Å; T127-Y326 HydrophobicContact CG2-CE1 4.33Å; T127-Y326 HydrophobicContact CG2-CE2 3.63Å; T127-Y326 PolarHBondContact OG1-OH 3.28Å; T127-Y326 VanDerWaalsContact OG1-OH 3.13Å; T127-L329 HydrophobicContact CG2-CD1 3.87Å; T127-W332 HydrophobicContact CG2-CD2 4.36Å; T127-W332 HydrophobicContact CG2-CE3 3.84Å; T127-W332 HydrophobicContact CG2-CH2 3.7Å; T127-W332 HydrophobicContact CG2-CZ2 4.26Å; T127-W332 HydrophobicContact CG2-CZ3 3.46Å; T127-W332 VanDerWaalsContact CG2-CZ3 3.46Å
128	A	97.5	Very high	96.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	79.7	-178.7	0	0	0	0	0	109.2	I104 F105 F106 S107 I136 I138 F310	I104-A128 HydrophobicContact CG2-CB 3.6Å; F105-A128 PolarHBondContact O-N 2.92Å; F106-A128 WeakPolarHBondContact CA-O 3.38Å; F106-A128 HydrophobicContact CD2-CB 4.2Å; F106-A128 WeakPolarHBondContact CD2-O 3.44Å; S107-A128 PolarHBondContact N-O 2.96Å; A128-I136 WeakPolarHBondContact CA-O 3.41Å; A128-I136 HydrophobicContact CB-CB 4.5Å; A128-I138 HydrophobicContact CB-CD1 4.07Å; A128-F310 HydrophobicContact CB-CE2 4.09Å; A128-F310 HydrophobicContact CB-CZ 4.32Å
129	T	97.3	Very high	96.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	173.8	-170.4	86	0	0	0	0	112.3	F105 S107 R131 S134 I138 W332 W333	F105-T129 HydrophobicContact CD1-CG2 3.71Å; F105-T129 HydrophobicContact CE1-CG2 3.68Å; S107-T129 WeakPolarHBondContact O-CA 3.49Å; S107-T129 WeakPolarHBondContact O-CB 3.31Å; T129-R131 PolarHBondContact O-N 2.93Å; T129-R131 PolarHBondContact OG1-N 3.05Å; T129-R131 VanDerWaalsContact OG1-N 3.08Å; T129-S134 PolarHBondContact OG1-OG 2.85Å; T129-I138 PolarHBondContact O-N 3.38Å; T129-W332 HydrophobicContact CG2-CH2 3.88Å; T129-W332 HydrophobicContact CG2-CZ3 4.2Å; T129-W333 HydrophobicContact CG2-CE3 4.47Å; T129-W333 HydrophobicContact CG2-CH2 4.37Å; T129-W333 HydrophobicContact CG2-CZ3 3.74Å
130	Y	97	Very high	96.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	-61.2	-23.5	173.3	77.9	-95.7	0	0	0	113.2	S107 E109 P111 I138 R230 H231 Y232 W333	S107-Y130 PolarHBondContact O-N 3.4Å; E109-Y130 VanDerWaalsContact O-CE1 3.24Å; E109-Y130 WeakPolarHBondContact O-CE1 3.31Å; P111-Y130 WeakPolarHBondContact CD-OH 3.25Å; Y130-I138 WeakPolarHBondContact CA-O 3.44Å; Y130-R230 VanDerWaalsContact CE2-O 3.28Å; Y130-R230 WeakPolarHBondContact CE2-O 3.14Å; Y130-H231 HydrophobicContact CD2-CB 4.24Å; Y130-H231 WeakPolarHBondContact CD2-O 3.4Å; Y130-H231 HydrophobicContact CE2-CB 4.19Å; Y130-Y232 AromaticContact CD1-CD2 3.82Å; Y130-Y232 HydrophobicContact CD1-CD2 3.82Å; Y130-Y232 HydrophobicContact CD1-CE2 4.35Å; Y130-Y232 AromaticContact CD2-CD2 3.95Å; Y130-Y232 HydrophobicContact CD2-CD2 3.95Å; Y130-Y232 AromaticContact CE1-CD2 3.62Å; Y130-Y232 HydrophobicContact CE1-CD2 3.62Å; Y130-Y232 HydrophobicContact CE1-CE2 4.3Å; Y130-Y232 VanDerWaalsContact CE2-CB 3.44Å; Y130-Y232 AromaticContact CE2-CD2 3.78Å; Y130-Y232 HydrophobicContact CE2-CD2 3.78Å; Y130-Y232 HydrophobicContact CE2-CG 4.1Å; Y130-Y232 VanDerWaalsContact CE2-N 3.34Å; Y130-Y232 AromaticContact CG-CD2 3.98Å; Y130-Y232 HydrophobicContact CG-CD2 3.98Å; Y130-Y232 AromaticContact CZ-CD2 3.6Å; Y130-W333 HydrophobicContact CD1-CH2 4.17Å; Y130-W333 AromaticContact CE1-CH2 3.65Å; Y130-W333 HydrophobicContact CE1-CH2 3.65Å; Y130-W333 HydrophobicContact CE1-CZ2 4.4Å; Y130-W333 HydrophobicContact CE1-CZ3 4.28Å
131	R	96.3	Very high	96.5	Very high	8 Å²	8	15.2 Å²	15.2	3%	0.03	9%	0.089	C	C	.	.	S	Bend	trans	-70.6	135.2	-177	-61.1	171.2	51.7	157.4	-11.7	111.5	T129 D133 S134 W332 W333	T129-R131 PolarHBondContact O-N 2.93Å; T129-R131 PolarHBondContact OG1-N 3.05Å; T129-R131 VanDerWaalsContact OG1-N 3.08Å; R131-D133 WeakPolarHBondContact CB-OD1 3.43Å; R131-D133 IonicContact CZ-OD1 3.71Å; R131-D133 IonicContact CZ-OD2 3.88Å; R131-D133 IonicContact NE-OD1 3.47Å; R131-D133 PolarHBondContact NE-OD1 3.19Å; R131-D133 IonicContact NE-OD2 3.83Å; R131-D133 IonicContact NH2-OD1 3.99Å; R131-D133 PolarHBondContact NH2-OD1 2.77Å; R131-D133 IonicContact NH2-OD2 3.48Å; R131-D133 PolarHBondContact NH2-OD2 2.98Å; R131-D133 PolarHBondContact O-N 3.21Å; R131-S134 WeakPolarHBondContact O-CB 3.3Å; R131-S134 PolarHBondContact O-N 2.62Å; R131-S134 VanDerWaalsContact O-N 3.14Å; R131-S134 PolarHBondContact O-OG 3.45Å; R131-W332 PolarHBondContact NH1-O 3.39Å; R131-W332 PolarHBondContact NH2-O 2.74Å; R131-W333 HydrophobicContact CG-CZ3 4.27Å; R131-W333 PolarHBondContact NH1-O 2.83Å
132	L	96.2	Very high	96.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-17.1	-177.3	-58.6	-177.3	0	0	0	114.3	E20 T21 I24 P137 P139 H231 R260 L261	E20-L132 HydrophobicContact CB-CB 3.96Å; E20-L132 HydrophobicContact CB-CD1 4.35Å; T21-L132 HydrophobicContact CG2-CD1 3.87Å; I24-L132 HydrophobicContact CD1-CD2 4.33Å; L132-P137 HydrophobicContact CD2-CB 4.37Å; L132-P137 VanDerWaalsContact O-CG 3.31Å; L132-P137 WeakPolarHBondContact O-CG 3.26Å; L132-P139 HydrophobicContact CD2-CB 4.35Å; L132-P139 HydrophobicContact CD2-CG 4.37Å; L132-H231 HydrophobicContact CG-CB 4.18Å; L132-H231 PolarHBondContact N-ND1 2.04Å; L132-R260 HydrophobicContact CD1-CB 4.36Å; L132-L261 HydrophobicContact CD1-CD2 4.32Å; L132-L261 HydrophobicContact CD1-CG 4.49Å; L132-L261 HydrophobicContact CD2-CD2 4.04Å
133	D	95.1	Very high	96.6	Very high	50 Å²	50	12.3 Å²	12.3	27%	0.267	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-3.6	175.5	68.3	-37.9	0	0	0	113.7	K23 R131 W332	K23-D133 PolarHBondContact NZ-O 3.27Å; R131-D133 WeakPolarHBondContact CB-OD1 3.43Å; R131-D133 IonicContact CZ-OD1 3.71Å; R131-D133 IonicContact CZ-OD2 3.88Å; R131-D133 IonicContact NE-OD1 3.47Å; R131-D133 PolarHBondContact NE-OD1 3.19Å; R131-D133 IonicContact NE-OD2 3.83Å; R131-D133 IonicContact NH2-OD1 3.99Å; R131-D133 PolarHBondContact NH2-OD1 2.77Å; R131-D133 IonicContact NH2-OD2 3.48Å; R131-D133 PolarHBondContact NH2-OD2 2.98Å; R131-D133 PolarHBondContact O-N 3.21Å; D133-W332 PolarHBondContact OD2-NE1 3.21Å
134	S	96.7	Very high	96.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.074	C	C	.	.	S	Bend	trans	-58.1	158.5	172.3	-48.1	0	0	0	0	111.9	K23 T127 T129 R131 I136 P137	K23-S134 WeakPolarHBondContact CD-O 3.4Å; K23-S134 PolarHBondContact NZ-O 2.96Å; T127-S134 WeakPolarHBondContact O-CB 3.49Å; T127-S134 VanDerWaalsContact OG1-CA 3.29Å; T127-S134 WeakPolarHBondContact OG1-CA 3.41Å; T129-S134 PolarHBondContact OG1-OG 2.85Å; R131-S134 WeakPolarHBondContact O-CB 3.3Å; R131-S134 PolarHBondContact O-N 2.62Å; R131-S134 VanDerWaalsContact O-N 3.14Å; R131-S134 PolarHBondContact O-OG 3.45Å; S134-I136 VanDerWaalsContact C-N 3.27Å; S134-I136 PolarHBondContact O-N 2.7Å; S134-P137 WeakPolarHBondContact O-CD 3.4Å; S134-P137 WeakPolarHBondContact O-CG 3.4Å
135	D	96.4	Very high	96.5	Very high	22 Å²	22	18.6 Å²	18.6	12%	0.118	10%	0.097	C	C	.	.	S	Bend	trans	-59.8	-41.7	172.9	-65.6	-71.9	0	0	0	111.3	Q27 W126 T127 K324 Y326	Q27-D135 PolarHBondContact NE2-O 2.82Å; W126-D135 VanDerWaalsContact CA-OD2 3.27Å; W126-D135 WeakPolarHBondContact CA-OD2 3.3Å; W126-D135 HydrophobicContact CB-CB 3.94Å; W126-D135 HydrophobicContact CG-CB 4.22Å; T127-D135 PolarHBondContact N-OD2 3.07Å; T127-D135 PolarHBondContact O-N 3.38Å; T127-D135 VanDerWaalsContact O-N 3.1Å; T127-D135 PolarHBondContact OG1-N 2.98Å; T127-D135 PolarHBondContact OG1-OD2 3Å; D135-K324 IonicContact OD1-NZ 2.66Å; D135-K324 PolarHBondContact OD1-NZ 2.95Å; D135-K324 IonicContact OD2-NZ 2.63Å; D135-K324 PolarHBondContact OD2-NZ 3.49Å; D135-K324 VanDerWaalsContact OD2-NZ 3.12Å; D135-Y326 VanDerWaalsContact OD2-CE2 3.3Å; D135-Y326 WeakPolarHBondContact OD2-CE2 3.39Å; D135-Y326 PolarHBondContact OD2-OH 2.96Å; D135-Y326 VanDerWaalsContact OD2-OH 3.07Å
136	I	96.3	Very high	96.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-127.3	87.6	175.9	-46.7	174.3	0	0	0	108.4	W126 T127 A128 S134 I138 F310 L314 M317	W126-I136 HydrophobicContact CE3-CD1 4.08Å; T127-I136 PolarHBondContact O-N 2.95Å; A128-I136 WeakPolarHBondContact CA-O 3.41Å; A128-I136 HydrophobicContact CB-CB 4.5Å; S134-I136 VanDerWaalsContact C-N 3.27Å; S134-I136 PolarHBondContact O-N 2.7Å; I136-I138 WeakPolarHBondContact O-CG1 3.37Å; I136-I138 PolarHBondContact O-N 3.42Å; I136-F310 HydrophobicContact CB-CE2 4.19Å; I136-F310 HydrophobicContact CG2-CD2 3.57Å; I136-F310 HydrophobicContact CG2-CE2 3.61Å; I136-L314 HydrophobicContact CD1-CB 4.09Å; I136-L314 HydrophobicContact CD1-CD1 3.43Å; I136-L314 VanDerWaalsContact CD1-CD1 3.43Å; I136-L314 HydrophobicContact CD1-CG 4.33Å; I136-M317 HydrophobicContact CD1-CE 4.24Å; I136-M317 HydrophobicContact CD1-SD 4.11Å; I136-M317 HydrophobicContact CG1-CE 3.8Å; I136-M317 HydrophobicContact CG1-SD 3.72Å
137	P	97	Very high	95.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.141	C	C	.	.			trans	-64.1	136.4	-178.5	-24.1	35	0	0	0	112.4	K23 I24 L132 S134 P139 R313	K23-P137 HydrophobicContact CD-CG 3.89Å; I24-P137 HydrophobicContact CD1-CB 4.08Å; I24-P137 HydrophobicContact CG1-CB 3.97Å; I24-P137 HydrophobicContact CG1-CG 4.29Å; L132-P137 HydrophobicContact CD2-CB 4.37Å; L132-P137 VanDerWaalsContact O-CG 3.31Å; L132-P137 WeakPolarHBondContact O-CG 3.26Å; S134-P137 WeakPolarHBondContact O-CD 3.4Å; S134-P137 WeakPolarHBondContact O-CG 3.4Å; P137-P139 VanDerWaalsContact C-CD 3.5Å; P137-R313 PolarHBondContact O-NH1 3.43Å; P137-R313 VanDerWaalsContact O-NH1 3.16Å; P137-R313 PolarHBondContact O-NH2 3.12Å
138	I	96.4	Very high	94	Very high	21 Å²	21	33.3 Å²	33.3	11%	0.108	18%	0.18	C	C	.	.			trans	-127.8	66.6	179.5	-41.7	-179	0	0	0	109.6	F106 L108 A128 T129 Y130 I136 F310	F106-I138 HydrophobicContact CD2-CD1 3.94Å; F106-I138 HydrophobicContact CE2-CD1 3.46Å; F106-I138 VanDerWaalsContact CE2-CD1 3.46Å; F106-I138 HydrophobicContact CZ-CD1 4.41Å; L108-I138 HydrophobicContact CD2-CB 4.08Å; L108-I138 HydrophobicContact CD2-CG2 4.15Å; A128-I138 HydrophobicContact CB-CD1 4.07Å; T129-I138 PolarHBondContact O-N 3.38Å; Y130-I138 WeakPolarHBondContact CA-O 3.44Å; I136-I138 WeakPolarHBondContact O-CG1 3.37Å; I136-I138 PolarHBondContact O-N 3.42Å; I138-F310 HydrophobicContact CD1-CD1 4.29Å; I138-F310 HydrophobicContact CD1-CD2 3.43Å; I138-F310 VanDerWaalsContact CD1-CD2 3.43Å; I138-F310 HydrophobicContact CD1-CE1 4.19Å; I138-F310 HydrophobicContact CD1-CE2 3.33Å; I138-F310 HydrophobicContact CD1-CG 3.94Å; I138-F310 HydrophobicContact CD1-CZ 3.73Å; I138-F310 HydrophobicContact CG1-CD2 3.59Å; I138-F310 HydrophobicContact CG1-CE2 3.87Å; I138-F310 HydrophobicContact CG1-CG 4.25Å
139	P	96.9	Very high	92.3	Very high	9 Å²	9	37.7 Å²	37.7	6%	0.058	21%	0.207	C	C	.	.			trans	-63.5	149	172.7	30.8	-35.9	0	0	0	109.9	I24 L132 P137 G141 L261 T308	I24-P139 HydrophobicContact CD1-CG 3.71Å; L132-P139 HydrophobicContact CD2-CB 4.35Å; L132-P139 HydrophobicContact CD2-CG 4.37Å; P137-P139 VanDerWaalsContact C-CD 3.5Å; P139-G141 PolarHBondContact O-N 3.1Å; P139-G141 VanDerWaalsContact O-N 3.16Å; P139-L261 HydrophobicContact CB-CD1 4.04Å; P139-L261 HydrophobicContact CB-CD2 3.87Å; P139-L261 HydrophobicContact CG-CD2 4.14Å; P139-T308 HydrophobicContact CG-CG2 4.43Å
140	Y	97.2	Very high	90.7	Very high	56 Å²	56	43.9 Å²	43.9	22%	0.22	24%	0.238	C	C	.	.	S	Bend	trans	-61.4	-23.9	177.3	-77.9	-104.3	0	0	0	112.9	L108 I233 T234 E235	L108-Y140 HydrophobicContact CB-CE2 4.02Å; L108-Y140 WeakPolarHBondContact CB-OH 3.45Å; L108-Y140 PolarHBondContact O-OH 3.04Å; Y140-I233 WeakPolarHBondContact CD2-O 3.5Å; Y140-T234 HydrophobicContact CD2-CG2 4.23Å; Y140-T234 HydrophobicContact CE2-CG2 3.9Å; Y140-E235 HydrophobicContact CD1-CB 4.5Å; Y140-E235 WeakPolarHBondContact CE1-OE2 3.14Å
141	G	96.8	Very high	88.9	Confident	15 Å²	15	46.6 Å²	46.6	16%	0.155	26%	0.257	C	S	.	.			trans	-164.3	163.1	170.1	0	0	0	0	0	112	P139 F238	P139-G141 PolarHBondContact O-N 3.1Å; P139-G141 VanDerWaalsContact O-N 3.16Å; G141-F238 VanDerWaalsContact C-CZ 3.46Å; G141-F238 VanDerWaalsContact CA-CE1 3.44Å; G141-F238 WeakPolarHBondContact O-CE1 3.39Å; G141-F238 WeakPolarHBondContact O-CZ 3.4Å
142	L	97	Very high	86.9	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.016	29%	0.292	C	S	.	.			trans	-150	133.6	179.4	174.3	62.5	0	0	0	108.4	T21 I24 F25 L261 A305 V306 T308	T21-L142 HydrophobicContact CG2-CD1 4.29Å; I24-L142 HydrophobicContact CD1-CD2 4.12Å; I24-L142 HydrophobicContact CG2-CD2 4.1Å; F25-L142 HydrophobicContact CE1-CD2 4.34Å; F25-L142 HydrophobicContact CE2-CD2 4.12Å; F25-L142 HydrophobicContact CZ-CD2 3.76Å; F25-L142 HydrophobicContact CZ-CG 4.29Å; L142-L261 HydrophobicContact CD1-CD2 3.84Å; L142-A305 CarbonylContact O-C 3.52Å; L142-V306 HydrophobicContact CB-CB 4.17Å; L142-V306 HydrophobicContact CD2-CB 4.02Å; L142-V306 HydrophobicContact CD2-CG1 4.04Å; L142-V306 HydrophobicContact CD2-CG2 4.32Å; L142-V306 HydrophobicContact CG-CB 3.97Å; L142-V306 HydrophobicContact CG-CG2 4.07Å; L142-V306 PolarHBondContact O-N 2.96Å; L142-T308 HydrophobicContact CB-CG2 4.25Å; L142-T308 HydrophobicContact CD2-CG2 4.29Å
143	Y	96.2	Very high	85.1	Confident	31 Å²	31	58.7 Å²	58.7	12%	0.122	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	145.4	173.4	-75.5	-97.6	0	0	0	110.7	K17 F238 F242 L261 P263 W299 E304 A305	K17-Y143 PolarHBondContact NZ-O 3.39Å; Y143-F238 HydrophobicContact CD2-CE1 4.27Å; Y143-F238 HydrophobicContact CE2-CD1 4Å; Y143-F238 HydrophobicContact CE2-CE1 4.2Å; Y143-F242 HydrophobicContact CD2-CD2 4.47Å; Y143-F242 HydrophobicContact CD2-CE2 4.31Å; Y143-F242 AromaticContact CE2-CD2 3.64Å; Y143-F242 HydrophobicContact CE2-CD2 3.64Å; Y143-F242 AromaticContact CE2-CE2 3.91Å; Y143-F242 HydrophobicContact CE2-CE2 3.91Å; Y143-F242 AromaticContact CZ-CD2 3.87Å; Y143-L261 PolarHBondContact N-O 3.27Å; Y143-P263 HydrophobicContact CD1-CG 4.43Å; Y143-P263 HydrophobicContact CG-CG 4.22Å; Y143-W299 HydrophobicContact CD1-CZ3 4.02Å; Y143-W299 HydrophobicContact CE1-CH2 4.15Å; Y143-W299 AromaticContact CE1-CZ3 3.57Å; Y143-W299 HydrophobicContact CE1-CZ3 3.57Å; Y143-E304 VanDerWaalsContact CA-O 3.28Å; Y143-E304 WeakPolarHBondContact CA-O 3.46Å; Y143-E304 VanDerWaalsContact CD1-C 3.49Å; Y143-E304 WeakPolarHBondContact CD1-O 3.37Å; Y143-A305 HydrophobicContact CD1-CB 4.4Å; Y143-A305 HydrophobicContact CE1-CB 3.95Å
144	K	93.9	Very high	83.4	Confident	78 Å²	78	59.5 Å²	59.5	34%	0.339	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	154	172	69.8	178.7	-177.7	174.2	0	110.5	F25 Y303 E304 V306	F25-K144 HydrophobicContact CE1-CB 4.48Å; F25-K144 HydrophobicContact CE1-CD 4.23Å; F25-K144 HydrophobicContact CZ-CB 4.12Å; K144-Y303 CarbonylContact O-C 3.59Å; K144-Y303 VanDerWaalsContact O-CA 3.23Å; K144-Y303 WeakPolarHBondContact O-CA 3.3Å; K144-E304 WeakPolarHBondContact CE-OE1 3.29Å; K144-E304 HydrophobicContact CG-CG 4.03Å; K144-E304 PolarHBondContact N-O 3.31Å; K144-E304 IonicContact NZ-OE1 3.7Å; K144-E304 PolarHBondContact NZ-OE1 2.61Å; K144-E304 PolarHBondContact O-N 2.74Å; K144-V306 HydrophobicContact CB-CG2 3.79Å; K144-V306 HydrophobicContact CD-CG2 3.69Å; K144-V306 HydrophobicContact CG-CG2 3.54Å
145	P	93.5	Very high	82.1	Confident	74 Å²	74	68.1 Å²	68.1	48%	0.481	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	140.5	170.9	-21.5	32.3	0	0	0	111.7	H302 Y303	P145-H302 CarbonylContact C-O 3.54Å; P145-H302 VanDerWaalsContact CA-O 3.28Å; P145-H302 WeakPolarHBondContact CA-O 3.27Å; P145-Y303 HydrophobicContact CB-CE1 4.33Å; P145-Y303 HydrophobicContact CG-CD1 4.26Å; P145-Y303 HydrophobicContact CG-CE1 3.71Å
146	I	88.4	Confident	81.3	Confident	31 Å²	31	71.9 Å²	71.9	16%	0.159	38%	0.38	C	S	.	.			trans	-81.1	123.1	171.5	-50.1	167.5	0	0	0	106.7	R148 I150 H302 E304	I146-R148 WeakPolarHBondContact CG2-O 3.37Å; I146-R148 PolarHBondContact O-N 2.73Å; I146-R148 VanDerWaalsContact O-N 3.14Å; I146-I150 HydrophobicContact CD1-CD1 3.73Å; I146-I150 HydrophobicContact CD1-CG1 4.22Å; I146-I150 HydrophobicContact CG2-CD1 4.48Å; I146-I150 HydrophobicContact CG2-CG1 4.36Å; I146-H302 PolarHBondContact N-O 3.46Å; I146-E304 HydrophobicContact CD1-CB 4.31Å; I146-E304 HydrophobicContact CG1-CB 3.92Å; I146-E304 HydrophobicContact CG1-CG 4Å
147	G	78	Confident	80.9	Confident	87 Å²	87	73.6 Å²	73.6	90%	0.897	39%	0.392	S	S	*	.	S	Bend	trans	-67.4	-9	178.3	0	0	0	0	0	114.3
148	R	72.8	Confident	80.4	Confident	214 Å²	214	76.8 Å²	76.8	81%	0.808	40%	0.404	S	S	*	.	S	Bend	trans	-130.3	120.7	178.2	-61.5	-179.3	-178.9	178.6	-0.1	108.2	I146 I150	I146-R148 WeakPolarHBondContact CG2-O 3.37Å; I146-R148 PolarHBondContact O-N 2.73Å; I146-R148 VanDerWaalsContact O-N 3.14Å; R148-I150 PolarHBondContact O-N 2.9Å; R148-I150 VanDerWaalsContact O-N 3.17Å
149	V	63.2	Low	80.1	Confident	93 Å²	93	77.6 Å²	77.6	56%	0.564	41%	0.407	S	S	*	.			trans	-66	116.2	175.8	178.4	0	0	0	0	108.2	S151	V149-S151 VanDerWaalsContact C-N 3.26Å; V149-S151 WeakPolarHBondContact CG1-O 3.39Å; V149-S151 PolarHBondContact O-N 2.83Å
150	I	64.3	Low	79.7	Confident	130 Å²	130	81.1 Å²	81.1	67%	0.667	44%	0.437	S	S	*	.	S	Bend	trans	-69.2	-25	-174.6	-64.4	-179.3	0	0	0	111.6	I146 R148	I146-I150 HydrophobicContact CD1-CD1 3.73Å; I146-I150 HydrophobicContact CD1-CG1 4.22Å; I146-I150 HydrophobicContact CG2-CD1 4.48Å; I146-I150 HydrophobicContact CG2-CG1 4.36Å; R148-I150 PolarHBondContact O-N 2.9Å; R148-I150 VanDerWaalsContact O-N 3.17Å
151	S	58.2	Low	79.3	Confident	56 Å²	56	82.1 Å²	82.1	39%	0.392	46%	0.464	S	S	.	.	S	Bend	trans	-160.7	148.9	172.3	59.1	0	0	0	0	111.9	V149 E153	V149-S151 VanDerWaalsContact C-N 3.26Å; V149-S151 WeakPolarHBondContact CG1-O 3.39Å; V149-S151 PolarHBondContact O-N 2.83Å; S151-E153 PolarHBondContact O-N 2.85Å
152	S	54.8	Low	79.2	Confident	109 Å²	109	82.3 Å²	82.3	76%	0.762	46%	0.461	S	S	*	.	S	Bend	trans	-71.4	114.3	163.3	57.8	0	0	0	0	108.7
153	E	56.9	Low	79.1	Confident	154 Å²	154	86.9 Å²	86.9	72%	0.72	49%	0.493	S	S	*	.	S	Bend	trans	71.5	112	178.2	-63.5	-178.9	152.6	0	0	116.9	S151 K155	S151-E153 PolarHBondContact O-N 2.85Å; E153-K155 PolarHBondContact O-N 2.62Å
154	Y	60.7	Low	79.2	Confident	66 Å²	66	86.2 Å²	86.2	26%	0.259	49%	0.493	S	S	.	.			trans	-64.2	100.4	161.6	-170.9	-106.1	0	0	0	109	Q156 W158 F297 R300 S301	Y154-Q156 HydrophobicContact CD1-CB 4.42Å; Y154-Q156 WeakPolarHBondContact CD1-O 3.37Å; Y154-Q156 HydrophobicContact CE1-CB 3.86Å; Y154-Q156 WeakPolarHBondContact CE1-O 3.05Å; Y154-Q156 HydrophobicContact CE2-CB 4.17Å; Y154-W158 AromaticContact CZ-NE1 3.91Å; Y154-W158 PolarHBondContact OH-NE1 3.08Å; Y154-F297 HydrophobicContact CD1-CB 4.42Å; Y154-F297 HydrophobicContact CE1-CB 3.81Å; Y154-R300 HydrophobicContact CD2-CB 4.37Å; Y154-R300 HydrophobicContact CE2-CB 3.99Å; Y154-R300 WeakPolarHBondContact OH-CD 3.03Å; Y154-S301 WeakPolarHBondContact CB-OG 3.29Å
155	K	68.5	Low	79.4	Confident	181 Å²	181	84.9 Å²	84.9	79%	0.787	49%	0.489	S	S	*	.			trans	-84.3	-8.6	-178.8	-65.7	-172.9	-179.4	-177.3	0	114.2	E153 S157	E153-K155 PolarHBondContact O-N 2.62Å; K155-S157 PolarHBondContact O-N 3.41Å
156	Q	81	Confident	79.6	Confident	102 Å²	102	81.4 Å²	81.4	48%	0.477	47%	0.466	S	S	.	.			trans	-78.6	107.8	-177.3	-175.1	65.6	51.3	0	0	109.8	Y154 W158	Y154-Q156 HydrophobicContact CD1-CB 4.42Å; Y154-Q156 WeakPolarHBondContact CD1-O 3.37Å; Y154-Q156 HydrophobicContact CE1-CB 3.86Å; Y154-Q156 WeakPolarHBondContact CE1-O 3.05Å; Y154-Q156 HydrophobicContact CE2-CB 4.17Å; Q156-W158 HydrophobicContact CG-CD2 4.23Å; Q156-W158 HydrophobicContact CG-CH2 4.01Å; Q156-W158 HydrophobicContact CG-CZ2 3.41Å; Q156-W158 VanDerWaalsContact CG-CZ2 3.41Å
157	S	86.5	Confident	80.1	Confident	35 Å²	35	80 Å²	80	25%	0.245	46%	0.459	C	S	.	.			trans	-86.2	139.3	167.5	-177.5	0	0	0	0	109.7	K155 F159 Q290 D294	K155-S157 PolarHBondContact O-N 3.41Å; S157-F159 WeakPolarHBondContact OG-CB 3.41Å; S157-F159 PolarHBondContact OG-N 3.23Å; S157-Q290 PolarHBondContact OG-NE2 2.81Å; S157-D294 VanDerWaalsContact CB-OD2 3.3Å; S157-D294 WeakPolarHBondContact CB-OD2 3.25Å; S157-D294 PolarHBondContact OG-OD1 3Å; S157-D294 PolarHBondContact OG-OD2 2.85Å
158	W	87	Confident	81.1	Confident	67 Å²	67	76.3 Å²	76.3	25%	0.254	42%	0.418	S	S	.	.			trans	-107.7	9.3	169.5	-58.7	105.2	0	0	0	111.4	Y154 Q156 K162 N245 Y293 F297	Y154-W158 AromaticContact CZ-NE1 3.91Å; Y154-W158 PolarHBondContact OH-NE1 3.08Å; Q156-W158 HydrophobicContact CG-CD2 4.23Å; Q156-W158 HydrophobicContact CG-CH2 4.01Å; Q156-W158 HydrophobicContact CG-CZ2 3.41Å; Q156-W158 VanDerWaalsContact CG-CZ2 3.41Å; W158-K162 WeakPolarHBondContact O-CD 3.23Å; W158-K162 WeakPolarHBondContact O-CE 3.04Å; W158-N245 HydrophobicContact CD2-CB 3.65Å; W158-N245 VanDerWaalsContact CE2-CG 3.46Å; W158-N245 HydrophobicContact CE3-CB 4.02Å; W158-N245 HydrophobicContact CG-CB 3.95Å; W158-N245 WeakPolarHBondContact CH2-ND2 3.31Å; W158-N245 HydrophobicContact CZ2-CB 4.24Å; W158-N245 WeakPolarHBondContact CZ2-ND2 3.46Å; W158-N245 HydrophobicContact CZ3-CB 4.47Å; W158-Y293 HydrophobicContact CB-CE1 4.03Å; W158-F297 HydrophobicContact CB-CE2 4.41Å; W158-F297 AromaticContact CD1-CG 3.91Å
159	F	90.7	Very high	82.2	Confident	39 Å²	39	67.5 Å²	67.5	17%	0.171	39%	0.386	C	S	.	.			trans	-70.8	-45.1	-173.3	-176.4	-99.5	0	0	0	112.8	S157 K219 A287 Q290 Y293	S157-F159 WeakPolarHBondContact OG-CB 3.41Å; S157-F159 PolarHBondContact OG-N 3.23Å; F159-K219 VanDerWaalsContact CD2-NZ 3.29Å; F159-K219 VanDerWaalsContact CE2-NZ 3.32Å; F159-K219 PolarHBondContact O-NZ 3.29Å; F159-A287 WeakPolarHBondContact CE2-O 3.29Å; F159-A287 WeakPolarHBondContact CZ-O 3.24Å; F159-Q290 HydrophobicContact CB-CB 4.41Å; F159-Q290 HydrophobicContact CB-CG 3.78Å; F159-Q290 HydrophobicContact CD1-CB 3.76Å; F159-Q290 HydrophobicContact CD1-CG 3.86Å; F159-Q290 HydrophobicContact CD2-CB 4Å; F159-Q290 HydrophobicContact CD2-CG 4.27Å; F159-Q290 HydrophobicContact CE1-CB 3.92Å; F159-Q290 HydrophobicContact CE2-CB 4.12Å; F159-Q290 HydrophobicContact CG-CB 3.79Å; F159-Q290 HydrophobicContact CG-CG 3.71Å; F159-Q290 HydrophobicContact CZ-CB 4.08Å; F159-Y293 HydrophobicContact CB-CD1 3.81Å; F159-Y293 HydrophobicContact CB-CE1 4.31Å; F159-Y293 AromaticContact CD2-CD1 3.78Å; F159-Y293 HydrophobicContact CD2-CD1 3.78Å; F159-Y293 HydrophobicContact CD2-CD2 4.34Å; F159-Y293 AromaticContact CD2-CG 3.63Å; F159-Y293 HydrophobicContact CD2-CG 3.63Å; F159-Y293 HydrophobicContact CE2-CG 4.41Å; F159-Y293 HydrophobicContact CG-CD1 4.32Å
160	A	88.2	Confident	83.7	Confident	83 Å²	83	63.6 Å²	63.6	69%	0.686	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	152.5	-176.6	0	0	0	0	0	112.2	K162	A160-K162 PolarHBondContact O-N 3.3Å
161	G	89.4	Confident	85	Confident	76 Å²	76	61.4 Å²	61.4	78%	0.784	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	-18.5	176.1	0	0	0	0	0	115.7	S163	G161-S163 PolarHBondContact O-N 3.17Å
162	K	94.9	Very high	86.6	Confident	20 Å²	20	61.5 Å²	61.5	9%	0.087	36%	0.355	C	S	.	.			trans	-77.9	112.8	174.5	-66.4	172.1	-179	-75.3	0	110.6	W158 A160 A215 K216 K217 Y218 K219 N245 Y293	W158-K162 WeakPolarHBondContact O-CD 3.23Å; W158-K162 WeakPolarHBondContact O-CE 3.04Å; A160-K162 PolarHBondContact O-N 3.3Å; K162-A215 PolarHBondContact NZ-O 3.37Å; K162-K216 WeakPolarHBondContact CG-O 3.49Å; K162-K217 CarbonylContact C-O 3.45Å; K162-K217 WeakPolarHBondContact CA-O 3.46Å; K162-Y218 VanDerWaalsContact CD-O 3.24Å; K162-Y218 WeakPolarHBondContact CD-O 3.12Å; K162-Y218 WeakPolarHBondContact CE-O 3.07Å; K162-Y218 PolarHBondContact NZ-O 2.68Å; K162-K219 HydrophobicContact CB-CG 3.85Å; K162-K219 HydrophobicContact CD-CG 3.89Å; K162-N245 PolarHBondContact NZ-O 3.31Å; K162-Y293 WeakPolarHBondContact CD-OH 3.38Å; K162-Y293 WeakPolarHBondContact CE-OH 3.42Å
163	S	94.7	Very high	88.5	Confident	99 Å²	99	57.8 Å²	57.8	69%	0.692	33%	0.328	S	S	*	.			trans	-95.1	-7.5	-175	59.2	0	0	0	0	114.7	G161 K217	G161-S163 PolarHBondContact O-N 3.17Å; S163-K217 PolarHBondContact N-O 3.4Å
164	S	97.4	Very high	90.3	Very high	17 Å²	17	59.1 Å²	59.1	12%	0.119	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	154.4	-179.3	-58.8	0	0	0	0	111.6	K217 Y218 K219	S164-K217 PolarHBondContact N-O 2.92Å; S164-K217 WeakPolarHBondContact OG-CE 3.13Å; S164-Y218 VanDerWaalsContact CB-CD1 3.49Å; S164-Y218 WeakPolarHBondContact O-CA 3.35Å; S164-K219 PolarHBondContact O-N 3.14Å
165	L	98	Very high	91.9	Very high	50 Å²	50	56.4 Å²	56.4	26%	0.262	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-69.9	-172.8	-62	-179.8	0	0	0	111.1	I190 K219 F220 A287	L165-I190 HydrophobicContact CB-CD1 4.12Å; L165-I190 HydrophobicContact CB-CG1 4.27Å; L165-I190 HydrophobicContact CD1-CD1 3.81Å; L165-I190 HydrophobicContact CD1-CG1 3.76Å; L165-K219 HydrophobicContact CD2-CD 4.18Å; L165-K219 PolarHBondContact O-N 3.07Å; L165-F220 WeakPolarHBondContact O-CD2 3.39Å; L165-F220 PolarHBondContact O-N 3Å; L165-A287 HydrophobicContact CD2-CB 3.53Å
166	V	98.8	Very high	93.1	Very high	1 Å²	1	53 Å²	53	1%	0.006	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.4	-167	-172.9	0	0	0	0	111.2	I190 V192 D193 Y218 F220 L222 L283	V166-I190 HydrophobicContact CG2-CD1 3.76Å; V166-I190 HydrophobicContact CG2-CG1 4.17Å; V166-I190 HydrophobicContact CG2-CG2 4.46Å; V166-V192 HydrophobicContact CB-CG2 4.12Å; V166-V192 HydrophobicContact CG1-CB 4.49Å; V166-V192 HydrophobicContact CG1-CG1 4.09Å; V166-V192 HydrophobicContact CG1-CG2 4.04Å; V166-D193 PolarHBondContact O-N 3.42Å; V166-Y218 VanDerWaalsContact C-CD1 3.49Å; V166-Y218 WeakPolarHBondContact O-CE1 3.39Å; V166-F220 HydrophobicContact CG2-CB 4.2Å; V166-F220 HydrophobicContact CG2-CD2 4.1Å; V166-L222 HydrophobicContact CG1-CD1 3.95Å; V166-L222 HydrophobicContact CG1-CD2 3.48Å; V166-L222 VanDerWaalsContact CG1-CD2 3.48Å; V166-L222 HydrophobicContact CG1-CG 3.47Å; V166-L222 VanDerWaalsContact CG1-CG 3.47Å; V166-L283 HydrophobicContact CG2-CD1 4.03Å
167	A	98.3	Very high	93.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	146.1	167.1	0	0	0	0	0	111.8	F169 D193 Y195 L214 Y218 F220 Y221 L222	A167-F169 HydrophobicContact CB-CD2 4.35Å; A167-F169 HydrophobicContact CB-CE2 3.82Å; A167-D193 WeakPolarHBondContact CA-O 3.44Å; A167-Y195 HydrophobicContact CB-CE2 4.47Å; A167-L214 HydrophobicContact CB-CD1 3.85Å; A167-Y218 HydrophobicContact CB-CD1 3.67Å; A167-Y218 HydrophobicContact CB-CD2 3.71Å; A167-Y218 HydrophobicContact CB-CE1 3.86Å; A167-Y218 HydrophobicContact CB-CE2 3.84Å; A167-Y218 HydrophobicContact CB-CG 3.6Å; A167-F220 PolarHBondContact N-O 3.08Å; A167-Y221 WeakPolarHBondContact O-CA 3.4Å; A167-L222 PolarHBondContact O-N 3.5Å
168	W	97.9	Very high	94.2	Very high	10 Å²	10	51.2 Å²	51.2	4%	0.038	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	128.2	172.2	-177.8	44.6	0	0	0	110.4	S170 R179 E180 V183 V192 D193 A194 Y195 C198 L222	W168-S170 VanDerWaalsContact CZ2-CB 3.47Å; W168-R179 HydrophobicContact CZ2-CG 4.17Å; W168-E180 HydrophobicContact CH2-CB 3.97Å; W168-V183 HydrophobicContact CD2-CB 4.49Å; W168-V183 HydrophobicContact CD2-CG1 4.12Å; W168-V183 HydrophobicContact CD2-CG2 3.91Å; W168-V183 HydrophobicContact CE3-CB 4.12Å; W168-V183 HydrophobicContact CE3-CG1 3.57Å; W168-V183 HydrophobicContact CE3-CG2 4.04Å; W168-V183 HydrophobicContact CG-CG2 4.45Å; W168-V183 HydrophobicContact CH2-CB 4.4Å; W168-V183 HydrophobicContact CH2-CG2 4.22Å; W168-V183 HydrophobicContact CZ2-CG2 4.12Å; W168-V183 HydrophobicContact CZ3-CB 4.06Å; W168-V183 HydrophobicContact CZ3-CG1 3.88Å; W168-V183 HydrophobicContact CZ3-CG2 4.19Å; W168-V192 HydrophobicContact CB-CG1 4.07Å; W168-D193 PolarHBondContact N-O 2.87Å; W168-A194 HydrophobicContact CE3-CB 3.97Å; W168-A194 CarbonylContact O-C 3.49Å; W168-A194 WeakPolarHBondContact O-CA 3.46Å; W168-Y195 PolarHBondContact O-N 3.43Å; W168-C198 HydrophobicContact CH2-CB 4.04Å; W168-C198 HydrophobicContact CZ3-CB 3.99Å; W168-L222 HydrophobicContact CB-CB 4.09Å; W168-L222 HydrophobicContact CB-CD1 4.03Å; W168-L222 HydrophobicContact CB-CG 4.25Å; W168-L222 HydrophobicContact CG-CB 4.11Å; W168-L222 HydrophobicContact CG-CD1 4.27Å
169	F	96.3	Very high	94.6	Very high	29 Å²	29	48.5 Å²	48.5	13%	0.127	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	111.5	179.1	-70	-109.1	0	0	0	108.5	A167 Y195 C203 C210 W211 M213 L214 Y221	A167-F169 HydrophobicContact CB-CD2 4.35Å; A167-F169 HydrophobicContact CB-CE2 3.82Å; F169-Y195 HydrophobicContact CD1-CD2 4.46Å; F169-Y195 HydrophobicContact CD1-CG 4.07Å; F169-Y195 HydrophobicContact CD2-CD2 4.26Å; F169-Y195 HydrophobicContact CE1-CD1 4.13Å; F169-Y195 HydrophobicContact CE1-CD2 4.05Å; F169-Y195 AromaticContact CE1-CG 3.71Å; F169-Y195 HydrophobicContact CE1-CG 3.71Å; F169-Y195 AromaticContact CE2-CD2 3.87Å; F169-Y195 HydrophobicContact CE2-CD2 3.87Å; F169-Y195 HydrophobicContact CE2-CE2 4.34Å; F169-Y195 HydrophobicContact CE2-CG 4.37Å; F169-Y195 HydrophobicContact CZ-CD1 4.38Å; F169-Y195 AromaticContact CZ-CD2 3.76Å; F169-Y195 HydrophobicContact CZ-CD2 3.76Å; F169-Y195 HydrophobicContact CZ-CE2 4.17Å; F169-Y195 AromaticContact CZ-CG 3.9Å; F169-Y195 HydrophobicContact CZ-CG 3.9Å; F169-C203 HydrophobicContact CD1-CB 4.18Å; F169-C203 HydrophobicContact CE1-CB 3.89Å; F169-C210 HydrophobicContact CE1-CB 3.97Å; F169-C210 HydrophobicContact CZ-CB 4.49Å; F169-W211 HydrophobicContact CD1-CZ3 4.38Å; F169-W211 HydrophobicContact CG-CZ3 4.33Å; F169-M213 HydrophobicContact CZ-CE 3.84Å; F169-L214 HydrophobicContact CE2-CB 4.42Å; F169-L214 HydrophobicContact CE2-CD1 4.1Å; F169-L214 HydrophobicContact CE2-CD2 4.49Å; F169-L214 HydrophobicContact CZ-CB 4.47Å; F169-Y221 HydrophobicContact CB-CE2 4.15Å; F169-Y221 HydrophobicContact CD2-CD2 4.07Å; F169-Y221 AromaticContact CD2-CE2 3.67Å; F169-Y221 HydrophobicContact CD2-CE2 3.67Å; F169-Y221 HydrophobicContact CG-CE2 4.3Å
170	S	94.3	Very high	94.8	Very high	11 Å²	11	48.5 Å²	48.5	8%	0.077	29%	0.289	C	S	.	.			trans	-148.2	136.7	-178.3	-174.4	0	0	0	0	112.4	W168 N172 R179 Y195 G196 S197 C198	W168-S170 VanDerWaalsContact CZ2-CB 3.47Å; S170-N172 PolarHBondContact OG-N 3.35Å; S170-N172 PolarHBondContact OG-O 2.58Å; S170-R179 PolarHBondContact OG-NH2 3.35Å; S170-Y195 PolarHBondContact N-O 3.07Å; S170-G196 CarbonylContact O-C 3.59Å; S170-S197 PolarHBondContact O-N 3.27Å; S170-C198 PolarHBondContact O-N 3.44Å; S170-C198 PolarHBondContact O-SG 3.11Å; S170-C198 VanDerWaalsContact O-SG 3.38Å; S170-C198 PolarHBondContact OG-SG 3.27Å
171	S	92.3	Very high	95.2	Very high	85 Å²	85	45 Å²	45	59%	0.594	26%	0.26	S	S	*	.	S	Bend	trans	-109.1	-15.5	170	58.9	0	0	0	0	113.3
172	N	92.5	Very high	95.5	Very high	57 Å²	57	41.7 Å²	41.7	31%	0.305	22%	0.224	S	C	.	.			trans	-99.6	108.1	174.7	-177.7	2.3	0	0	0	109	S170 F174 T175 R179	S170-N172 PolarHBondContact OG-N 3.35Å; S170-N172 PolarHBondContact OG-O 2.58Å; N172-F174 PolarHBondContact OD1-N 2.76Å; N172-F174 PolarHBondContact OD1-O 3.45Å; N172-T175 HydrophobicContact CB-CG2 4.48Å; N172-R179 PolarHBondContact O-NH2 3.2Å
173	C	94.2	Very high	95.6	Very high	31 Å²	31	41 Å²	41	21%	0.209	22%	0.221	C	C	.	.			trans	-103.3	1.7	-170.6	-43.5	0	0	0	0	113.5	E180 S197 C198	C173-E180 WeakPolarHBondContact O-CG 3.37Å; C173-S197 VanDerWaalsContact SG-C 3.54Å; C173-C198 WeakPolarHBondContact CA-SG 3.48Å; C173-C198 HydrophobicContact CB-CB 3.92Å; C173-C198 WeakPolarHBondContact CB-SG 3.4Å; C173-C198 PolarHBondContact N-SG 3.41Å; C173-C198 WeakPolarHBondContact SG-CA 3.44Å; C173-C198 WeakPolarHBondContact SG-CB 3.4Å; C173-C198 PolarHBondContact SG-N 3.02Å; C173-C198 CovalentContact SG-SG 2.05Å; C173-C198 PolarHBondContact SG-SG 2.98Å
174	F	94.4	Very high	95.7	Very high	182 Å²	182	44.1 Å²	44.1	80%	0.798	22%	0.218	S	C	*	.	S	Bend	trans	-134.4	99.7	175.6	-61.9	-77.1	0	0	0	107.2	N172	N172-F174 PolarHBondContact OD1-N 2.76Å; N172-F174 PolarHBondContact OD1-O 3.45Å
175	T	95.4	Very high	95.6	Very high	10 Å²	10	44.2 Å²	44.2	6%	0.061	22%	0.216	C	C	.	.			trans	-117.2	149	-174.2	58.3	0	0	0	0	112	N172 N177 Q178 R179 E180 N226	N172-T175 HydrophobicContact CB-CG2 4.48Å; T175-N177 WeakPolarHBondContact CB-OD1 3.36Å; T175-N177 PolarHBondContact O-N 2.94Å; T175-N177 PolarHBondContact OG1-OD1 2.98Å; T175-Q178 PolarHBondContact O-N 2.96Å; T175-Q178 PolarHBondContact OG1-N 3.24Å; T175-R179 HydrophobicContact CG2-CG 4.28Å; T175-R179 WeakPolarHBondContact OG1-CG 3.43Å; T175-R179 PolarHBondContact OG1-N 2.83Å; T175-R179 VanDerWaalsContact OG1-N 3.13Å; T175-E180 PolarHBondContact N-OE2 3.23Å; T175-E180 PolarHBondContact OG1-OE2 3.13Å; T175-N226 HydrophobicContact CG2-CB 3.9Å
176	M	93.5	Very high	95.6	Very high	109 Å²	109	41.8 Å²	41.8	54%	0.537	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-25.3	-178.3	-65	-61.7	-69.4	0	0	112.7	L112 P342	L112-M176 HydrophobicContact CB-CB 4.1Å; L112-M176 HydrophobicContact CB-CG 4.05Å; L112-M176 HydrophobicContact CD1-CB 3.87Å; M176-P342 WeakPolarHBondContact O-CG 3.37Å
177	N	94.8	Very high	95.5	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.027	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	3.5	173.5	68.8	-17.9	0	0	0	114.2	T175 R179 E225 N226 S227 N228 P342	T175-N177 WeakPolarHBondContact CB-OD1 3.36Å; T175-N177 PolarHBondContact O-N 2.94Å; T175-N177 PolarHBondContact OG1-OD1 2.98Å; N177-R179 PolarHBondContact O-N 3.05Å; N177-E225 PolarHBondContact ND2-O 2.69Å; N177-E225 PolarHBondContact OD1-O 2.94Å; N177-N226 PolarHBondContact OD1-O 2.97Å; N177-S227 PolarHBondContact ND2-N 3.04Å; N177-N228 WeakPolarHBondContact CB-OD1 3.2Å; N177-N228 PolarHBondContact ND2-OD1 2.95Å; N177-P342 WeakPolarHBondContact O-CB 3.21Å
178	Q	95.2	Very high	95.5	Very high	94 Å²	94	50.8 Å²	50.8	44%	0.439	25%	0.246	S	C	.	.			trans	53.7	35.5	179.7	-56	176.8	17.8	0	0	114.2	T175 E180 A181 Y182 P342	T175-Q178 PolarHBondContact O-N 2.96Å; T175-Q178 PolarHBondContact OG1-N 3.24Å; Q178-E180 WeakPolarHBondContact CA-OE1 3.46Å; Q178-E180 PolarHBondContact O-N 2.74Å; Q178-E180 VanDerWaalsContact O-N 3.1Å; Q178-A181 HydrophobicContact CB-CB 4.29Å; Q178-A181 WeakPolarHBondContact O-CB 3.43Å; Q178-A181 PolarHBondContact O-N 3.45Å; Q178-Y182 PolarHBondContact O-N 3.03Å; Q178-P342 HydrophobicContact CB-CB 4.18Å; Q178-P342 HydrophobicContact CB-CG 4.23Å; Q178-P342 HydrophobicContact CG-CB 4.19Å; Q178-P342 HydrophobicContact CG-CG 3.76Å
179	R	95.8	Very high	95.5	Very high	10 Å²	10	53.5 Å²	53.5	4%	0.038	26%	0.257	C	S	.	.	H	α-helix	trans	-57.4	-30.7	-177	78.9	-165.1	178.1	175.4	-11.9	112.2	W168 S170 N172 T175 N177 A181 Y182 V183 F224 E225 M251	W168-R179 HydrophobicContact CZ2-CG 4.17Å; S170-R179 PolarHBondContact OG-NH2 3.35Å; N172-R179 PolarHBondContact O-NH2 3.2Å; T175-R179 HydrophobicContact CG2-CG 4.28Å; T175-R179 WeakPolarHBondContact OG1-CG 3.43Å; T175-R179 PolarHBondContact OG1-N 2.83Å; T175-R179 VanDerWaalsContact OG1-N 3.13Å; N177-R179 PolarHBondContact O-N 3.05Å; R179-A181 VanDerWaalsContact C-N 3.33Å; R179-A181 PolarHBondContact O-N 2.94Å; R179-Y182 PolarHBondContact O-N 2.78Å; R179-V183 WeakPolarHBondContact O-CG2 3.14Å; R179-V183 PolarHBondContact O-N 3.14Å; R179-F224 HydrophobicContact CB-CB 4.25Å; R179-F224 HydrophobicContact CB-CD2 4.24Å; R179-F224 HydrophobicContact CG-CB 4.47Å; R179-F224 PolarHBondContact NH1-O 3.36Å; R179-E225 WeakPolarHBondContact CD-O 3.42Å; R179-M251 HydrophobicContact CB-SD 3.77Å
180	E	95.6	Very high	95.7	Very high	40 Å²	40	52.5 Å²	52.5	19%	0.187	25%	0.253	C	S	.	.	H	α-helix	trans	-64.6	-35.1	176.7	68.4	-71.9	157	0	0	112.9	W168 C173 T175 Q178 Y182 V183 R184	W168-E180 HydrophobicContact CH2-CB 3.97Å; C173-E180 WeakPolarHBondContact O-CG 3.37Å; T175-E180 PolarHBondContact N-OE2 3.23Å; T175-E180 PolarHBondContact OG1-OE2 3.13Å; Q178-E180 WeakPolarHBondContact CA-OE1 3.46Å; Q178-E180 PolarHBondContact O-N 2.74Å; Q178-E180 VanDerWaalsContact O-N 3.1Å; E180-Y182 VanDerWaalsContact C-N 3.35Å; E180-V183 PolarHBondContact O-N 2.98Å; E180-R184 WeakPolarHBondContact O-CB 3.36Å; E180-R184 PolarHBondContact O-N 3.28Å
181	A	95	Very high	95.8	Very high	9 Å²	9	58 Å²	58	7%	0.074	28%	0.277	C	S	.	.	H	α-helix	trans	-66.9	-40.6	175.1	0	0	0	0	0	110.4	Q178 R179 R184 E185 F345	Q178-A181 HydrophobicContact CB-CB 4.29Å; Q178-A181 WeakPolarHBondContact O-CB 3.43Å; Q178-A181 PolarHBondContact O-N 3.45Å; R179-A181 VanDerWaalsContact C-N 3.33Å; R179-A181 PolarHBondContact O-N 2.94Å; A181-R184 PolarHBondContact O-N 3.45Å; A181-E185 PolarHBondContact O-N 2.93Å; A181-F345 HydrophobicContact CB-CZ 4.13Å
182	Y	96.5	Very high	96.1	Very high	6 Å²	6	55 Å²	55	2%	0.024	26%	0.255	C	S	.	.	H	α-helix	trans	-64	-43.2	175.5	-167.7	-78.9	0	0	0	111.6	Q178 R179 E180 R184 E185 L186 F224 M251 V270 P276 L279 F345	Q178-Y182 PolarHBondContact O-N 3.03Å; R179-Y182 PolarHBondContact O-N 2.78Å; E180-Y182 VanDerWaalsContact C-N 3.35Å; Y182-R184 VanDerWaalsContact C-N 3.33Å; Y182-R184 PolarHBondContact O-N 3.35Å; Y182-E185 PolarHBondContact O-N 3.46Å; Y182-L186 VanDerWaalsContact O-CB 3.31Å; Y182-L186 WeakPolarHBondContact O-CB 3.28Å; Y182-L186 PolarHBondContact O-N 3.48Å; Y182-F224 AromaticContact CD1-CE2 3.8Å; Y182-F224 HydrophobicContact CD1-CE2 3.8Å; Y182-F224 HydrophobicContact CD1-CZ 4.07Å; Y182-F224 HydrophobicContact CE1-CE2 4.37Å; Y182-F224 HydrophobicContact CE1-CZ 4.16Å; Y182-M251 HydrophobicContact CD1-CE 3.66Å; Y182-M251 HydrophobicContact CD2-CE 3.42Å; Y182-M251 VanDerWaalsContact CD2-CE 3.42Å; Y182-M251 HydrophobicContact CE1-CE 4.11Å; Y182-M251 HydrophobicContact CE2-CE 3.88Å; Y182-M251 HydrophobicContact CG-CE 3.29Å; Y182-V270 HydrophobicContact CE1-CG1 4.01Å; Y182-P276 HydrophobicContact CD2-CG 4.06Å; Y182-P276 HydrophobicContact CE1-CB 4.25Å; Y182-P276 HydrophobicContact CE1-CG 4.29Å; Y182-P276 HydrophobicContact CE2-CG 3.75Å; Y182-P276 HydrophobicContact CG-CG 4.46Å; Y182-L279 HydrophobicContact CE1-CD2 3.85Å; Y182-L279 WeakPolarHBondContact OH-CD2 3.22Å; Y182-F345 AromaticContact CD2-CD1 3.94Å; Y182-F345 HydrophobicContact CD2-CD1 3.94Å; Y182-F345 AromaticContact CD2-CE1 3.78Å; Y182-F345 HydrophobicContact CD2-CE1 3.78Å; Y182-F345 HydrophobicContact CG-CE1 4.28Å
183	V	96.8	Very high	96.4	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.03	24%	0.243	C	C	.	.	H	α-helix	trans	-62.4	-41.3	175.7	176.4	0	0	0	0	111.3	W168 R179 E180 E185 L186 S187 V192 L222 F224	W168-V183 HydrophobicContact CD2-CB 4.49Å; W168-V183 HydrophobicContact CD2-CG1 4.12Å; W168-V183 HydrophobicContact CD2-CG2 3.91Å; W168-V183 HydrophobicContact CE3-CB 4.12Å; W168-V183 HydrophobicContact CE3-CG1 3.57Å; W168-V183 HydrophobicContact CE3-CG2 4.04Å; W168-V183 HydrophobicContact CG-CG2 4.45Å; W168-V183 HydrophobicContact CH2-CB 4.4Å; W168-V183 HydrophobicContact CH2-CG2 4.22Å; W168-V183 HydrophobicContact CZ2-CG2 4.12Å; W168-V183 HydrophobicContact CZ3-CB 4.06Å; W168-V183 HydrophobicContact CZ3-CG1 3.88Å; W168-V183 HydrophobicContact CZ3-CG2 4.19Å; R179-V183 WeakPolarHBondContact O-CG2 3.14Å; R179-V183 PolarHBondContact O-N 3.14Å; E180-V183 PolarHBondContact O-N 2.98Å; V183-E185 VanDerWaalsContact C-N 3.34Å; V183-E185 PolarHBondContact O-N 2.85Å; V183-L186 PolarHBondContact O-N 3.22Å; V183-S187 WeakPolarHBondContact O-CB 3.23Å; V183-S187 PolarHBondContact O-N 3.3Å; V183-S187 PolarHBondContact O-OG 3.37Å; V183-V192 HydrophobicContact CG1-CG1 4.01Å; V183-L222 HydrophobicContact CG1-CD1 4.25Å; V183-L222 HydrophobicContact CG2-CD1 3.81Å; V183-F224 HydrophobicContact CG2-CD2 3.65Å; V183-F224 HydrophobicContact CG2-CE2 3.55Å
184	R	95.9	Very high	96.5	Very high	166 Å²	166	52.3 Å²	52.3	63%	0.626	24%	0.241	S	C	*	.	H	α-helix	trans	-59.5	-45	176.6	-178.8	175.8	63.2	-126.3	-0	111.6	E180 A181 Y182 S187	E180-R184 WeakPolarHBondContact O-CB 3.36Å; E180-R184 PolarHBondContact O-N 3.28Å; A181-R184 PolarHBondContact O-N 3.45Å; Y182-R184 VanDerWaalsContact C-N 3.33Å; Y182-R184 PolarHBondContact O-N 3.35Å; R184-S187 PolarHBondContact O-N 3.37Å
185	E	96.8	Very high	96.6	Very high	18 Å²	18	44.6 Å²	44.6	8%	0.084	21%	0.207	C	C	.	.	H	α-helix	trans	-68.5	-44.8	177.9	-175.1	58.1	-157.2	0	0	111.7	A181 Y182 V183 S187 R188 Y189 P276 F345	A181-E185 PolarHBondContact O-N 2.93Å; Y182-E185 PolarHBondContact O-N 3.46Å; V183-E185 VanDerWaalsContact C-N 3.34Å; V183-E185 PolarHBondContact O-N 2.85Å; E185-S187 PolarHBondContact O-N 2.95Å; E185-R188 WeakPolarHBondContact O-CB 2.75Å; E185-R188 WeakPolarHBondContact O-CG 3.28Å; E185-R188 PolarHBondContact O-N 3.21Å; E185-R188 VanDerWaalsContact O-N 3.07Å; E185-R188 IonicContact OE1-NH1 3.77Å; E185-R188 WeakPolarHBondContact OE2-CD 3.34Å; E185-R188 IonicContact OE2-NH1 2.61Å; E185-R188 PolarHBondContact OE2-NH1 3.21Å; E185-Y189 HydrophobicContact CG-CE2 4.11Å; E185-Y189 VanDerWaalsContact O-CD2 3.25Å; E185-Y189 WeakPolarHBondContact O-CD2 3.34Å; E185-Y189 VanDerWaalsContact O-CE2 3.27Å; E185-Y189 WeakPolarHBondContact O-CE2 3.39Å; E185-Y189 VanDerWaalsContact OE1-CE2 3.24Å; E185-Y189 WeakPolarHBondContact OE1-CE2 3.49Å; E185-Y189 PolarHBondContact OE1-OH 2.76Å; E185-P276 HydrophobicContact CB-CB 4.5Å; E185-P276 HydrophobicContact CB-CG 4.25Å; E185-P276 HydrophobicContact CG-CB 4.12Å; E185-P276 HydrophobicContact CG-CG 3.84Å; E185-F345 HydrophobicContact CB-CD2 4.11Å; E185-F345 HydrophobicContact CB-CE2 3.54Å; E185-F345 HydrophobicContact CB-CZ 4.2Å; E185-F345 HydrophobicContact CG-CD2 3.84Å; E185-F345 HydrophobicContact CG-CE2 3.8Å
186	L	97.6	Very high	96.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-55.5	-38.7	175	-178.6	63.4	0	0	0	112.1	Y182 V183 R188 Y189 I190 V192 L222 P276 L279 A280	Y182-L186 VanDerWaalsContact O-CB 3.31Å; Y182-L186 WeakPolarHBondContact O-CB 3.28Å; Y182-L186 PolarHBondContact O-N 3.48Å; V183-L186 PolarHBondContact O-N 3.22Å; L186-R188 PolarHBondContact O-N 3.47Å; L186-R188 VanDerWaalsContact O-N 3.11Å; L186-Y189 PolarHBondContact O-N 2.84Å; L186-I190 HydrophobicContact CD1-CG2 3.75Å; L186-I190 HydrophobicContact CG-CG2 3.81Å; L186-I190 PolarHBondContact O-N 3.34Å; L186-V192 HydrophobicContact CD2-CG2 4.3Å; L186-V192 HydrophobicContact CG-CG2 4.29Å; L186-L222 HydrophobicContact CD2-CD1 4.08Å; L186-L222 HydrophobicContact CD2-CD2 4.25Å; L186-P276 HydrophobicContact CB-CB 4.22Å; L186-P276 HydrophobicContact CD1-CB 4.37Å; L186-P276 VanDerWaalsContact CD1-O 3.25Å; L186-P276 WeakPolarHBondContact CD1-O 3.34Å; L186-L279 HydrophobicContact CD1-CD2 4.12Å; L186-L279 HydrophobicContact CD1-CG 4.29Å; L186-L279 HydrophobicContact CD2-CD2 4.24Å; L186-A280 HydrophobicContact CD1-CB 3.89Å
187	S	97.3	Very high	96.4	Very high	53 Å²	53	44.7 Å²	44.7	37%	0.371	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.5	-179.3	-58.8	0	0	0	0	113.9	V183 R184 E185 Y189 I190	V183-S187 WeakPolarHBondContact O-CB 3.23Å; V183-S187 PolarHBondContact O-N 3.3Å; V183-S187 PolarHBondContact O-OG 3.37Å; R184-S187 PolarHBondContact O-N 3.37Å; E185-S187 PolarHBondContact O-N 2.95Å; S187-Y189 VanDerWaalsContact C-N 3.31Å; S187-I190 WeakPolarHBondContact CA-O 3.25Å
188	R	97.9	Very high	96.4	Very high	136 Å²	136	46 Å²	46	51%	0.513	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-26.2	173.1	-59.3	175.5	74.1	171.4	3.1	112.3	E185 L186 E350	E185-R188 WeakPolarHBondContact O-CB 2.75Å; E185-R188 WeakPolarHBondContact O-CG 3.28Å; E185-R188 PolarHBondContact O-N 3.21Å; E185-R188 VanDerWaalsContact O-N 3.07Å; E185-R188 IonicContact OE1-NH1 3.77Å; E185-R188 WeakPolarHBondContact OE2-CD 3.34Å; E185-R188 IonicContact OE2-NH1 2.61Å; E185-R188 PolarHBondContact OE2-NH1 3.21Å; L186-R188 PolarHBondContact O-N 3.47Å; L186-R188 VanDerWaalsContact O-N 3.11Å; R188-E350 IonicContact NH2-OE2 2.93Å
189	Y	98.4	Very high	96.1	Very high	68 Å²	68	42.8 Å²	42.8	27%	0.267	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-23.1	-170.9	-50.8	-72	0	0	0	113.1	E185 L186 S187 Q277 A280 K284	E185-Y189 HydrophobicContact CG-CE2 4.11Å; E185-Y189 VanDerWaalsContact O-CD2 3.25Å; E185-Y189 WeakPolarHBondContact O-CD2 3.34Å; E185-Y189 VanDerWaalsContact O-CE2 3.27Å; E185-Y189 WeakPolarHBondContact O-CE2 3.39Å; E185-Y189 VanDerWaalsContact OE1-CE2 3.24Å; E185-Y189 WeakPolarHBondContact OE1-CE2 3.49Å; E185-Y189 PolarHBondContact OE1-OH 2.76Å; L186-Y189 PolarHBondContact O-N 2.84Å; S187-Y189 VanDerWaalsContact C-N 3.31Å; Y189-Q277 HydrophobicContact CD1-CB 3.91Å; Y189-Q277 HydrophobicContact CD1-CG 3.67Å; Y189-Q277 HydrophobicContact CD2-CB 3.92Å; Y189-Q277 HydrophobicContact CE1-CB 3.9Å; Y189-Q277 HydrophobicContact CE1-CG 3.9Å; Y189-Q277 HydrophobicContact CE2-CB 3.94Å; Y189-Q277 HydrophobicContact CG-CB 3.92Å; Y189-Q277 HydrophobicContact CG-CG 4.02Å; Y189-A280 VanDerWaalsContact CB-CB 3.45Å; Y189-K284 WeakPolarHBondContact O-CE 3.41Å; Y189-K284 PolarHBondContact O-NZ 3.27Å
190	I	98.5	Very high	95.9	Very high	8 Å²	8	54 Å²	54	4%	0.041	27%	0.266	C	S	.	.	S	Bend	trans	-146.5	143	178.3	-170.8	168.3	0	0	0	110	L165 V166 L186 S187 V192 A280 L283 K284	L165-I190 HydrophobicContact CB-CD1 4.12Å; L165-I190 HydrophobicContact CB-CG1 4.27Å; L165-I190 HydrophobicContact CD1-CD1 3.81Å; L165-I190 HydrophobicContact CD1-CG1 3.76Å; V166-I190 HydrophobicContact CG2-CD1 3.76Å; V166-I190 HydrophobicContact CG2-CG1 4.17Å; V166-I190 HydrophobicContact CG2-CG2 4.46Å; L186-I190 HydrophobicContact CD1-CG2 3.75Å; L186-I190 HydrophobicContact CG-CG2 3.81Å; L186-I190 PolarHBondContact O-N 3.34Å; S187-I190 WeakPolarHBondContact CA-O 3.25Å; I190-V192 HydrophobicContact CG2-CG2 4.29Å; I190-V192 PolarHBondContact O-N 3.17Å; I190-A280 HydrophobicContact CB-CB 3.92Å; I190-A280 HydrophobicContact CG2-CB 3.79Å; I190-L283 HydrophobicContact CD1-CB 3.72Å; I190-L283 HydrophobicContact CD1-CD1 4.23Å; I190-K284 HydrophobicContact CD1-CG 4.22Å
191	Q	97.7	Very high	95.7	Very high	127 Å²	127	56 Å²	56	59%	0.593	28%	0.275	S	S	*	.			trans	-64.7	118.8	177.3	-178	179.6	-20.7	0	0	110.6	D193	Q191-D193 PolarHBondContact NE2-OD1 3.41Å
192	V	98.4	Very high	95.4	Very high	20 Å²	20	67.1 Å²	67.1	12%	0.121	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	114.1	173.2	-177.1	0	0	0	0	109.3	V166 W168 V183 L186 I190 A194 L222	V166-V192 HydrophobicContact CB-CG2 4.12Å; V166-V192 HydrophobicContact CG1-CB 4.49Å; V166-V192 HydrophobicContact CG1-CG1 4.09Å; V166-V192 HydrophobicContact CG1-CG2 4.04Å; W168-V192 HydrophobicContact CB-CG1 4.07Å; V183-V192 HydrophobicContact CG1-CG1 4.01Å; L186-V192 HydrophobicContact CD2-CG2 4.3Å; L186-V192 HydrophobicContact CG-CG2 4.29Å; I190-V192 HydrophobicContact CG2-CG2 4.29Å; I190-V192 PolarHBondContact O-N 3.17Å; V192-A194 PolarHBondContact O-N 3.23Å; V192-L222 HydrophobicContact CG1-CD1 3.99Å
193	D	97.9	Very high	95.1	Very high	13 Å²	13	68 Å²	68	7%	0.07	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	105	174.8	-66.6	-12.3	0	0	0	109.2	V166 A167 W168 Q191 Y195 K217 Y218	V166-D193 PolarHBondContact O-N 3.42Å; A167-D193 WeakPolarHBondContact CA-O 3.44Å; W168-D193 PolarHBondContact N-O 2.87Å; Q191-D193 PolarHBondContact NE2-OD1 3.41Å; D193-Y195 HydrophobicContact CB-CE2 3.84Å; D193-Y195 VanDerWaalsContact O-CD2 3.32Å; D193-Y195 WeakPolarHBondContact O-CD2 3.32Å; D193-Y195 WeakPolarHBondContact O-CE2 3.15Å; D193-K217 IonicContact OD2-NZ 3.7Å; D193-Y218 HydrophobicContact CB-CE1 3.8Å; D193-Y218 WeakPolarHBondContact CB-OH 3.3Å; D193-Y218 VanDerWaalsContact CG-OH 3.25Å; D193-Y218 VanDerWaalsContact OD2-CE1 3.27Å; D193-Y218 WeakPolarHBondContact OD2-CE1 3.48Å; D193-Y218 VanDerWaalsContact OD2-CZ 3.26Å; D193-Y218 PolarHBondContact OD2-OH 2.74Å
194	A	97.2	Very high	94.6	Very high	19 Å²	19	77.4 Å²	77.4	16%	0.157	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	126.9	-179.6	0	0	0	0	0	112.2	W168 V192 G199 R200 H201	W168-A194 HydrophobicContact CE3-CB 3.97Å; W168-A194 CarbonylContact O-C 3.49Å; W168-A194 WeakPolarHBondContact O-CA 3.46Å; V192-A194 PolarHBondContact O-N 3.23Å; A194-G199 WeakPolarHBondContact O-CA 3.42Å; A194-R200 PolarHBondContact O-N 2.86Å; A194-H201 WeakPolarHBondContact O-CB 3.21Å; A194-H201 PolarHBondContact O-CD2 3.16Å; A194-H201 PolarHBondContact O-N 3.34Å
195	Y	95.7	Very high	94	Very high	20 Å²	20	80.3 Å²	80.3	8%	0.078	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	148.8	179.7	-64.8	-99.3	0	0	0	111.7	A167 W168 F169 S170 D193 H201 C203 M213 Y218	A167-Y195 HydrophobicContact CB-CE2 4.47Å; W168-Y195 PolarHBondContact O-N 3.43Å; F169-Y195 HydrophobicContact CD1-CD2 4.46Å; F169-Y195 HydrophobicContact CD1-CG 4.07Å; F169-Y195 HydrophobicContact CD2-CD2 4.26Å; F169-Y195 HydrophobicContact CE1-CD1 4.13Å; F169-Y195 HydrophobicContact CE1-CD2 4.05Å; F169-Y195 AromaticContact CE1-CG 3.71Å; F169-Y195 HydrophobicContact CE1-CG 3.71Å; F169-Y195 AromaticContact CE2-CD2 3.87Å; F169-Y195 HydrophobicContact CE2-CD2 3.87Å; F169-Y195 HydrophobicContact CE2-CE2 4.34Å; F169-Y195 HydrophobicContact CE2-CG 4.37Å; F169-Y195 HydrophobicContact CZ-CD1 4.38Å; F169-Y195 AromaticContact CZ-CD2 3.76Å; F169-Y195 HydrophobicContact CZ-CD2 3.76Å; F169-Y195 HydrophobicContact CZ-CE2 4.17Å; F169-Y195 AromaticContact CZ-CG 3.9Å; F169-Y195 HydrophobicContact CZ-CG 3.9Å; S170-Y195 PolarHBondContact N-O 3.07Å; D193-Y195 HydrophobicContact CB-CE2 3.84Å; D193-Y195 VanDerWaalsContact O-CD2 3.32Å; D193-Y195 WeakPolarHBondContact O-CD2 3.32Å; D193-Y195 WeakPolarHBondContact O-CE2 3.15Å; Y195-H201 WeakPolarHBondContact CA-O 3.36Å; Y195-H201 HydrophobicContact CD1-CB 3.3Å; Y195-H201 HydrophobicContact CD2-CB 4.4Å; Y195-H201 HydrophobicContact CE1-CB 3.41Å; Y195-H201 VanDerWaalsContact CE1-CB 3.41Å; Y195-H201 HydrophobicContact CE2-CB 4.48Å; Y195-H201 HydrophobicContact CG-CB 3.83Å; Y195-C203 HydrophobicContact CD1-CB 4.05Å; Y195-C203 HydrophobicContact CG-CB 4.5Å; Y195-M213 HydrophobicContact CD1-CE 4.42Å; Y195-M213 HydrophobicContact CE1-CE 3.65Å; Y195-M213 HydrophobicContact CE2-CE 4.2Å; Y195-Y218 HydrophobicContact CE2-CE2 4.24Å; Y195-Y218 PolarHBondContact OH-OH 3.02Å
196	G	93.2	Very high	93.3	Very high	25 Å²	25	81.6 Å²	81.6	26%	0.258	39%	0.386	S	S	.	.	S	Bend	trans	94.3	-162.1	-179.7	0	0	0	0	0	111.9	S170 C198 G199 H201	S170-G196 CarbonylContact O-C 3.59Å; G196-C198 PolarHBondContact O-N 3.42Å; G196-C198 VanDerWaalsContact O-N 3.16Å; G196-G199 PolarHBondContact O-N 3.47Å; G196-H201 PolarHBondContact N-O 3.07Å
197	S	93	Very high	93	Very high	96 Å²	96	82.7 Å²	82.7	67%	0.671	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.1	-174.4	-48.6	0	0	0	0	113.8	S170 C173	S170-S197 PolarHBondContact O-N 3.27Å; C173-S197 VanDerWaalsContact SG-C 3.54Å
198	C	93.3	Very high	92.8	Very high	34 Å²	34	84.9 Å²	84.9	23%	0.23	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	3	-177.7	-44.3	0	0	0	0	113.6	W168 S170 C173 G196	W168-C198 HydrophobicContact CH2-CB 4.04Å; W168-C198 HydrophobicContact CZ3-CB 3.99Å; S170-C198 PolarHBondContact O-N 3.44Å; S170-C198 PolarHBondContact O-SG 3.11Å; S170-C198 VanDerWaalsContact O-SG 3.38Å; S170-C198 PolarHBondContact OG-SG 3.27Å; C173-C198 WeakPolarHBondContact CA-SG 3.48Å; C173-C198 HydrophobicContact CB-CB 3.92Å; C173-C198 WeakPolarHBondContact CB-SG 3.4Å; C173-C198 PolarHBondContact N-SG 3.41Å; C173-C198 WeakPolarHBondContact SG-CA 3.44Å; C173-C198 WeakPolarHBondContact SG-CB 3.4Å; C173-C198 PolarHBondContact SG-N 3.02Å; C173-C198 CovalentContact SG-SG 2.05Å; C173-C198 PolarHBondContact SG-SG 2.98Å; G196-C198 PolarHBondContact O-N 3.42Å; G196-C198 VanDerWaalsContact O-N 3.16Å
199	G	90.5	Very high	92.7	Very high	26 Å²	26	81.6 Å²	81.6	27%	0.268	41%	0.409	S	S	.	.	S	Bend	trans	-135.2	175	-175.3	0	0	0	0	0	112.9	A194 G196	A194-G199 WeakPolarHBondContact O-CA 3.42Å; G196-G199 PolarHBondContact O-N 3.47Å
200	R	90.7	Very high	92.6	Very high	246 Å²	246	79 Å²	79	93%	0.928	40%	0.4	S	S	*	.	S	Bend	trans	-85.2	-20.9	178.4	-63.8	-179.4	-176.5	163.2	0.7	112.4	A194	A194-R200 PolarHBondContact O-N 2.86Å
201	H	91.9	Very high	92.5	Very high	80 Å²	80	80.6 Å²	80.6	37%	0.37	41%	0.406	S	S	.	.	B	Isolated β-bridge	trans	-89.5	140.8	-178.7	-56.9	-72.5	0	0	0	111.3	A194 Y195 G196	A194-H201 WeakPolarHBondContact O-CB 3.21Å; A194-H201 PolarHBondContact O-CD2 3.16Å; A194-H201 PolarHBondContact O-N 3.34Å; Y195-H201 WeakPolarHBondContact CA-O 3.36Å; Y195-H201 HydrophobicContact CD1-CB 3.3Å; Y195-H201 HydrophobicContact CD2-CB 4.4Å; Y195-H201 HydrophobicContact CE1-CB 3.41Å; Y195-H201 VanDerWaalsContact CE1-CB 3.41Å; Y195-H201 HydrophobicContact CE2-CB 4.48Å; Y195-H201 HydrophobicContact CG-CB 3.83Å; G196-H201 PolarHBondContact N-O 3.07Å
202	R	89.3	Confident	92.4	Very high	243 Å²	243	79.4 Å²	79.4	92%	0.917	40%	0.401	S	S	*	.			trans	-94.7	128.3	179.1	-64.4	-170	-176.7	-108.7	1.4	110.4
203	C	90	Very high	92.2	Very high	25 Å²	25	80.7 Å²	80.7	17%	0.169	41%	0.406	C	S	.	.			trans	-143.2	127.1	165.1	180	0	0	0	0	108.7	F169 Y195 C210	F169-C203 HydrophobicContact CD1-CB 4.18Å; F169-C203 HydrophobicContact CE1-CB 3.89Å; Y195-C203 HydrophobicContact CD1-CB 4.05Å; Y195-C203 HydrophobicContact CG-CB 4.5Å; C203-C210 HydrophobicContact CB-CB 4.1Å; C203-C210 WeakPolarHBondContact CB-SG 3.3Å; C203-C210 WeakPolarHBondContact SG-CB 3.45Å; C203-C210 CovalentContact SG-SG 2.01Å; C203-C210 PolarHBondContact SG-SG 3.03Å
204	R	85.6	Confident	92.2	Very high	202 Å²	202	80.1 Å²	80.1	76%	0.762	40%	0.402	S	S	*	.			trans	-68.8	140.5	172.6	-169.1	176.3	73	168.2	1	109.3	G206 S207	R204-G206 PolarHBondContact O-N 3.13Å; R204-S207 WeakPolarHBondContact O-CB 3.29Å; R204-S207 PolarHBondContact O-N 2.84Å
205	R	82.5	Confident	92.1	Very high	227 Å²	227	80.2 Å²	80.2	86%	0.857	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	130.9	173.7	-170.3	177.1	-177.5	-178.2	0.8	109.8	S207	R205-S207 VanDerWaalsContact C-N 3.27Å; R205-S207 PolarHBondContact O-N 3.03Å
206	G	82.7	Confident	92.1	Very high	46 Å²	46	85.5 Å²	85.5	47%	0.474	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	12.2	179.8	0	0	0	0	0	115.4	R204 P208	R204-G206 PolarHBondContact O-N 3.13Å; G206-P208 WeakPolarHBondContact O-CD 3.43Å
207	S	91.3	Very high	92.3	Very high	22 Å²	22	87.4 Å²	87.4	15%	0.154	43%	0.428	C	S	.	.			trans	-64	115.5	178.6	177.3	0	0	0	0	111.9	R204 R205 A209 C210 W211	R204-S207 WeakPolarHBondContact O-CB 3.29Å; R204-S207 PolarHBondContact O-N 2.84Å; R205-S207 VanDerWaalsContact C-N 3.27Å; R205-S207 PolarHBondContact O-N 3.03Å; S207-A209 VanDerWaalsContact C-N 3.26Å; S207-A209 PolarHBondContact O-N 3.23Å; S207-C210 VanDerWaalsContact CB-SG 3.57Å; S207-C210 PolarHBondContact O-N 3.31Å; S207-C210 VanDerWaalsContact O-N 3.13Å; S207-W211 PolarHBondContact O-N 3.42Å
208	P	94.1	Very high	92.5	Very high	100 Å²	100	82.8 Å²	82.8	65%	0.649	40%	0.396	S	S	*	.	H	α-helix	trans	-58.5	-38.7	177.6	-25	36	0	0	0	112.6	G206 C210 W211 E212	G206-P208 WeakPolarHBondContact O-CD 3.43Å; P208-C210 VanDerWaalsContact C-N 3.31Å; P208-C210 PolarHBondContact O-N 3.46Å; P208-W211 PolarHBondContact O-N 2.96Å; P208-W211 VanDerWaalsContact O-N 3.15Å; P208-E212 WeakPolarHBondContact O-CB 3.46Å; P208-E212 PolarHBondContact O-N 3.11Å
209	A	95.5	Very high	92.8	Very high	66 Å²	66	81.9 Å²	81.9	55%	0.545	39%	0.388	S	S	.	.	H	α-helix	trans	-62.5	-36	178.7	0	0	0	0	0	112.7	S207 M213	S207-A209 VanDerWaalsContact C-N 3.26Å; S207-A209 PolarHBondContact O-N 3.23Å; A209-M213 WeakPolarHBondContact O-CB 3.3Å; A209-M213 PolarHBondContact O-N 3.11Å
210	C	96	Very high	93.2	Very high	14 Å²	14	80.7 Å²	80.7	10%	0.095	38%	0.375	C	S	.	.	H	α-helix	trans	-71.8	-35.3	176.2	-65.1	0	0	0	0	112.3	F169 C203 S207 P208 M213 L214	F169-C210 HydrophobicContact CE1-CB 3.97Å; F169-C210 HydrophobicContact CZ-CB 4.49Å; C203-C210 HydrophobicContact CB-CB 4.1Å; C203-C210 WeakPolarHBondContact CB-SG 3.3Å; C203-C210 WeakPolarHBondContact SG-CB 3.45Å; C203-C210 CovalentContact SG-SG 2.01Å; C203-C210 PolarHBondContact SG-SG 3.03Å; S207-C210 VanDerWaalsContact CB-SG 3.57Å; S207-C210 PolarHBondContact O-N 3.31Å; S207-C210 VanDerWaalsContact O-N 3.13Å; P208-C210 VanDerWaalsContact C-N 3.31Å; P208-C210 PolarHBondContact O-N 3.46Å; C210-M213 PolarHBondContact O-N 3.11Å; C210-L214 WeakPolarHBondContact O-CB 3.38Å; C210-L214 PolarHBondContact O-N 2.71Å
211	W	95.3	Very high	93.5	Very high	41 Å²	41	69 Å²	69	16%	0.155	33%	0.332	C	S	.	.	H	α-helix	trans	-71.1	-38.8	177.8	-62.5	139.7	0	0	0	112.2	F169 S207 P208 M213 L214 A215 N240 H244	F169-W211 HydrophobicContact CD1-CZ3 4.38Å; F169-W211 HydrophobicContact CG-CZ3 4.33Å; S207-W211 PolarHBondContact O-N 3.42Å; P208-W211 PolarHBondContact O-N 2.96Å; P208-W211 VanDerWaalsContact O-N 3.15Å; W211-M213 VanDerWaalsContact C-N 3.33Å; W211-L214 HydrophobicContact CE3-CD2 3.84Å; W211-L214 HydrophobicContact CZ3-CD2 4.01Å; W211-L214 WeakPolarHBondContact O-CB 3.47Å; W211-L214 PolarHBondContact O-N 3.2Å; W211-A215 WeakPolarHBondContact O-CB 3.25Å; W211-A215 PolarHBondContact O-N 2.96Å; W211-N240 HydrophobicContact CH2-CB 4.01Å; W211-N240 VanDerWaalsContact CH2-CG 3.47Å; W211-N240 HydrophobicContact CZ3-CB 3.95Å; W211-H244 WeakPolarHBondContact CB-NE2 3.42Å; W211-H244 AromaticContact CG-NE2 3.97Å
212	E	95.5	Very high	93.9	Very high	103 Å²	103	65.3 Å²	65.3	48%	0.481	31%	0.314	S	S	.	.	H	α-helix	trans	-61.3	-44.1	169.8	-174.3	-176.5	173	0	0	111.3	P208 A215 K216	P208-E212 WeakPolarHBondContact O-CB 3.46Å; P208-E212 PolarHBondContact O-N 3.11Å; E212-A215 PolarHBondContact O-N 3.14Å; E212-K216 HydrophobicContact CG-CD 4.03Å; E212-K216 WeakPolarHBondContact O-CB 3.26Å; E212-K216 WeakPolarHBondContact O-CG 3.36Å; E212-K216 PolarHBondContact O-N 2.82Å; E212-K216 WeakPolarHBondContact OE1-CE 3.39Å; E212-K216 IonicContact OE1-NZ 3.71Å; E212-K216 PolarHBondContact OE1-NZ 3.33Å
213	M	95.7	Very high	94.3	Very high	47 Å²	47	53.8 Å²	53.8	23%	0.232	27%	0.271	C	S	.	.	H	α-helix	trans	-62.4	-42.9	175.4	179.4	-79.3	-63.1	0	0	111.5	F169 Y195 A209 C210 W211 A215 K216 K217 Y218	F169-M213 HydrophobicContact CZ-CE 3.84Å; Y195-M213 HydrophobicContact CD1-CE 4.42Å; Y195-M213 HydrophobicContact CE1-CE 3.65Å; Y195-M213 HydrophobicContact CE2-CE 4.2Å; A209-M213 WeakPolarHBondContact O-CB 3.3Å; A209-M213 PolarHBondContact O-N 3.11Å; C210-M213 PolarHBondContact O-N 3.11Å; W211-M213 VanDerWaalsContact C-N 3.33Å; M213-A215 VanDerWaalsContact C-N 3.33Å; M213-A215 PolarHBondContact O-N 3.16Å; M213-K216 PolarHBondContact O-N 2.82Å; M213-K217 HydrophobicContact CG-CD 4.47Å; M213-K217 WeakPolarHBondContact O-CB 3.11Å; M213-K217 PolarHBondContact O-N 2.99Å; M213-K217 HydrophobicContact SD-CB 4.29Å; M213-K217 HydrophobicContact SD-CD 4.02Å; M213-Y218 HydrophobicContact CE-CE2 4.31Å; M213-Y218 HydrophobicContact SD-CD2 4.03Å; M213-Y218 HydrophobicContact SD-CE2 3.42Å; M213-Y218 WeakPolarHBondContact SD-CE2 3.28Å
214	L	96.9	Very high	94.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-54.7	-51.1	172.8	173.8	63.9	0	0	0	110.6	A167 F169 C210 W211 K216 Y218 Y221 H244 V246	A167-L214 HydrophobicContact CB-CD1 3.85Å; F169-L214 HydrophobicContact CE2-CB 4.42Å; F169-L214 HydrophobicContact CE2-CD1 4.1Å; F169-L214 HydrophobicContact CE2-CD2 4.49Å; F169-L214 HydrophobicContact CZ-CB 4.47Å; C210-L214 WeakPolarHBondContact O-CB 3.38Å; C210-L214 PolarHBondContact O-N 2.71Å; W211-L214 HydrophobicContact CE3-CD2 3.84Å; W211-L214 HydrophobicContact CZ3-CD2 4.01Å; W211-L214 WeakPolarHBondContact O-CB 3.47Å; W211-L214 PolarHBondContact O-N 3.2Å; L214-K216 VanDerWaalsContact C-N 3.35Å; L214-K216 PolarHBondContact O-N 2.03Å; L214-Y218 HydrophobicContact CD1-CD2 4.24Å; L214-Y218 HydrophobicContact CD1-CG 4.47Å; L214-Y218 PolarHBondContact O-N 3.29Å; L214-Y221 HydrophobicContact CD1-CD2 4.04Å; L214-Y221 HydrophobicContact CD1-CG 4.45Å; L214-Y221 HydrophobicContact CD2-CD2 3.94Å; L214-Y221 HydrophobicContact CD2-CE2 4.43Å; L214-Y221 HydrophobicContact CD2-CG 4.27Å; L214-H244 HydrophobicContact CD2-CB 4.37Å; L214-V246 HydrophobicContact CD1-CG1 4.08Å; L214-V246 HydrophobicContact CD1-CG2 4.47Å; L214-V246 HydrophobicContact CD2-CG2 4.3Å; L214-V246 HydrophobicContact CG-CG1 4.01Å; L214-V246 HydrophobicContact CG-CG2 4.3Å; L214-V246 WeakPolarHBondContact O-CG1 3.41Å
215	A	95.7	Very high	95.3	Very high	22 Å²	22	43 Å²	43	18%	0.182	23%	0.227	C	C	.	.	H	α-helix	trans	-62.9	-38	-177.7	0	0	0	0	0	113.4	K162 W211 E212 M213 H244	K162-A215 PolarHBondContact NZ-O 3.37Å; W211-A215 WeakPolarHBondContact O-CB 3.25Å; W211-A215 PolarHBondContact O-N 2.96Å; E212-A215 PolarHBondContact O-N 3.14Å; M213-A215 VanDerWaalsContact C-N 3.33Å; M213-A215 PolarHBondContact O-N 3.16Å; A215-H244 WeakPolarHBondContact CA-O 3.3Å; A215-H244 HydrophobicContact CB-CB 4.02Å; A215-H244 WeakPolarHBondContact CB-O 3.1Å
216	K	95.4	Very high	96	Very high	131 Å²	131	32.8 Å²	32.8	57%	0.57	19%	0.189	S	C	*	.	H	α-helix	trans	-87.6	-34.9	-175.9	-69	179.1	177.3	179.5	0	113.6	K162 E212 M213 L214	K162-K216 WeakPolarHBondContact CG-O 3.49Å; E212-K216 HydrophobicContact CG-CD 4.03Å; E212-K216 WeakPolarHBondContact O-CB 3.26Å; E212-K216 WeakPolarHBondContact O-CG 3.36Å; E212-K216 PolarHBondContact O-N 2.82Å; E212-K216 WeakPolarHBondContact OE1-CE 3.39Å; E212-K216 IonicContact OE1-NZ 3.71Å; E212-K216 PolarHBondContact OE1-NZ 3.33Å; M213-K216 PolarHBondContact O-N 2.82Å; L214-K216 VanDerWaalsContact C-N 3.35Å; L214-K216 PolarHBondContact O-N 2.03Å
217	K	96.5	Very high	96.6	Very high	64 Å²	64	30.6 Å²	30.6	28%	0.278	17%	0.167	S	C	.	.	H	α-helix	trans	-96.2	-36.9	-168.3	-172.2	-178.6	167.9	-165.1	0	113.7	K162 S163 S164 D193 M213	K162-K217 CarbonylContact C-O 3.45Å; K162-K217 WeakPolarHBondContact CA-O 3.46Å; S163-K217 PolarHBondContact N-O 3.4Å; S164-K217 PolarHBondContact N-O 2.92Å; S164-K217 WeakPolarHBondContact OG-CE 3.13Å; D193-K217 IonicContact OD2-NZ 3.7Å; M213-K217 HydrophobicContact CG-CD 4.47Å; M213-K217 WeakPolarHBondContact O-CB 3.11Å; M213-K217 PolarHBondContact O-N 2.99Å; M213-K217 HydrophobicContact SD-CB 4.29Å; M213-K217 HydrophobicContact SD-CD 4.02Å
218	Y	98.4	Very high	96.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	142.1	-168.4	-66.5	-86.2	0	0	0	113.9	K162 S164 V166 A167 D193 Y195 M213 L214 V246	K162-Y218 VanDerWaalsContact CD-O 3.24Å; K162-Y218 WeakPolarHBondContact CD-O 3.12Å; K162-Y218 WeakPolarHBondContact CE-O 3.07Å; K162-Y218 PolarHBondContact NZ-O 2.68Å; S164-Y218 VanDerWaalsContact CB-CD1 3.49Å; S164-Y218 WeakPolarHBondContact O-CA 3.35Å; V166-Y218 VanDerWaalsContact C-CD1 3.49Å; V166-Y218 WeakPolarHBondContact O-CE1 3.39Å; A167-Y218 HydrophobicContact CB-CD1 3.67Å; A167-Y218 HydrophobicContact CB-CD2 3.71Å; A167-Y218 HydrophobicContact CB-CE1 3.86Å; A167-Y218 HydrophobicContact CB-CE2 3.84Å; A167-Y218 HydrophobicContact CB-CG 3.6Å; D193-Y218 HydrophobicContact CB-CE1 3.8Å; D193-Y218 WeakPolarHBondContact CB-OH 3.3Å; D193-Y218 VanDerWaalsContact CG-OH 3.25Å; D193-Y218 VanDerWaalsContact OD2-CE1 3.27Å; D193-Y218 WeakPolarHBondContact OD2-CE1 3.48Å; D193-Y218 VanDerWaalsContact OD2-CZ 3.26Å; D193-Y218 PolarHBondContact OD2-OH 2.74Å; Y195-Y218 HydrophobicContact CE2-CE2 4.24Å; Y195-Y218 PolarHBondContact OH-OH 3.02Å; M213-Y218 HydrophobicContact CE-CE2 4.31Å; M213-Y218 HydrophobicContact SD-CD2 4.03Å; M213-Y218 HydrophobicContact SD-CE2 3.42Å; M213-Y218 WeakPolarHBondContact SD-CE2 3.28Å; L214-Y218 HydrophobicContact CD1-CD2 4.24Å; L214-Y218 HydrophobicContact CD1-CG 4.47Å; L214-Y218 PolarHBondContact O-N 3.29Å; Y218-V246 WeakPolarHBondContact O-CG1 3.07Å
219	K	98.4	Very high	97.1	Very high	15 Å²	15	25.7 Å²	25.7	7%	0.065	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-39.7	172.3	-72.9	-173.9	-173.3	-81.4	0	112.6	F159 K162 S164 L165 I247 A287 Y293	F159-K219 VanDerWaalsContact CD2-NZ 3.29Å; F159-K219 VanDerWaalsContact CE2-NZ 3.32Å; F159-K219 PolarHBondContact O-NZ 3.29Å; K162-K219 HydrophobicContact CB-CG 3.85Å; K162-K219 HydrophobicContact CD-CG 3.89Å; S164-K219 PolarHBondContact O-N 3.14Å; L165-K219 HydrophobicContact CD2-CD 4.18Å; L165-K219 PolarHBondContact O-N 3.07Å; K219-I247 PolarHBondContact O-N 3.41Å; K219-A287 HydrophobicContact CD-CB 3.65Å; K219-Y293 HydrophobicContact CB-CE2 3.74Å; K219-Y293 HydrophobicContact CD-CE2 4.27Å; K219-Y293 HydrophobicContact CG-CE2 3.93Å; K219-Y293 PolarHBondContact O-OH 3.32Å
220	F	98.8	Very high	97.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	147.4	-174.8	-50.5	-75.8	0	0	0	112.2	L165 V166 A167 I247 V249 I268 L283 V286 A287	L165-F220 WeakPolarHBondContact O-CD2 3.39Å; L165-F220 PolarHBondContact O-N 3Å; V166-F220 HydrophobicContact CG2-CB 4.2Å; V166-F220 HydrophobicContact CG2-CD2 4.1Å; A167-F220 PolarHBondContact N-O 3.08Å; F220-I247 VanDerWaalsContact CA-O 3.31Å; F220-I247 WeakPolarHBondContact CA-O 3.44Å; F220-I247 HydrophobicContact CD1-CB 3.79Å; F220-I247 HydrophobicContact CD1-CD1 4.42Å; F220-I247 HydrophobicContact CD1-CG2 4.1Å; F220-I247 HydrophobicContact CE1-CB 4.17Å; F220-I247 HydrophobicContact CE1-CD1 3.95Å; F220-I247 HydrophobicContact CE1-CG2 4.35Å; F220-V249 HydrophobicContact CB-CG2 4.09Å; F220-V249 HydrophobicContact CD1-CG2 4.3Å; F220-V249 HydrophobicContact CG-CG2 4.47Å; F220-I268 HydrophobicContact CD1-CD1 4.32Å; F220-I268 HydrophobicContact CE1-CD1 4.01Å; F220-L283 HydrophobicContact CD1-CD2 3.77Å; F220-L283 HydrophobicContact CD2-CB 4.35Å; F220-L283 HydrophobicContact CD2-CD2 4.35Å; F220-L283 HydrophobicContact CE1-CD2 3.78Å; F220-L283 HydrophobicContact CE2-CB 3.97Å; F220-L283 HydrophobicContact CE2-CD2 4.33Å; F220-L283 VanDerWaalsContact CE2-O 3.3Å; F220-L283 WeakPolarHBondContact CE2-O 3.46Å; F220-L283 HydrophobicContact CG-CD2 4.09Å; F220-L283 HydrophobicContact CZ-CB 4.21Å; F220-L283 HydrophobicContact CZ-CD2 4.07Å; F220-L283 VanDerWaalsContact CZ-O 3.23Å; F220-L283 WeakPolarHBondContact CZ-O 3.24Å; F220-V286 HydrophobicContact CE1-CB 4.26Å; F220-V286 HydrophobicContact CE1-CG1 3.83Å; F220-V286 HydrophobicContact CZ-CB 3.92Å; F220-V286 HydrophobicContact CZ-CG1 3.81Å; F220-A287 HydrophobicContact CE2-CB 4.02Å; F220-A287 HydrophobicContact CZ-CB 4.31Å
221	Y	98.7	Very high	97.2	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.008	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.6	171.6	171.8	-107.6	0	0	0	109.8	A167 F169 L214 A223 K236 N240 A241 I247 P248 V249	A167-Y221 WeakPolarHBondContact O-CA 3.4Å; F169-Y221 HydrophobicContact CB-CE2 4.15Å; F169-Y221 HydrophobicContact CD2-CD2 4.07Å; F169-Y221 AromaticContact CD2-CE2 3.67Å; F169-Y221 HydrophobicContact CD2-CE2 3.67Å; F169-Y221 HydrophobicContact CG-CE2 4.3Å; L214-Y221 HydrophobicContact CD1-CD2 4.04Å; L214-Y221 HydrophobicContact CD1-CG 4.45Å; L214-Y221 HydrophobicContact CD2-CD2 3.94Å; L214-Y221 HydrophobicContact CD2-CE2 4.43Å; L214-Y221 HydrophobicContact CD2-CG 4.27Å; Y221-A223 HydrophobicContact CD1-CB 3.79Å; Y221-A223 HydrophobicContact CE1-CB 3.65Å; Y221-A223 PolarHBondContact O-N 3.44Å; Y221-A223 VanDerWaalsContact O-N 3.09Å; Y221-K236 HydrophobicContact CE1-CB 4.39Å; Y221-K236 VanDerWaalsContact CE1-O 3.26Å; Y221-K236 WeakPolarHBondContact CE1-O 3.49Å; Y221-N240 HydrophobicContact CE1-CB 3.7Å; Y221-N240 PolarHBondContact OH-ND2 3.11Å; Y221-A241 HydrophobicContact CD1-CB 3.83Å; Y221-A241 HydrophobicContact CE1-CB 4.5Å; Y221-I247 PolarHBondContact N-O 2.72Å; Y221-P248 WeakPolarHBondContact O-CA 3.37Å; Y221-V249 PolarHBondContact O-N 3.23Å
222	L	98.8	Very high	97.4	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	93.9	173.7	-55.9	-169.9	0	0	0	109.5	V166 A167 W168 V183 L186 V192 F224 V249	V166-L222 HydrophobicContact CG1-CD1 3.95Å; V166-L222 HydrophobicContact CG1-CD2 3.48Å; V166-L222 VanDerWaalsContact CG1-CD2 3.48Å; V166-L222 HydrophobicContact CG1-CG 3.47Å; V166-L222 VanDerWaalsContact CG1-CG 3.47Å; A167-L222 PolarHBondContact O-N 3.5Å; W168-L222 HydrophobicContact CB-CB 4.09Å; W168-L222 HydrophobicContact CB-CD1 4.03Å; W168-L222 HydrophobicContact CB-CG 4.25Å; W168-L222 HydrophobicContact CG-CB 4.11Å; W168-L222 HydrophobicContact CG-CD1 4.27Å; V183-L222 HydrophobicContact CG1-CD1 4.25Å; V183-L222 HydrophobicContact CG2-CD1 3.81Å; L186-L222 HydrophobicContact CD2-CD1 4.08Å; L186-L222 HydrophobicContact CD2-CD2 4.25Å; V192-L222 HydrophobicContact CG1-CD1 3.99Å; L222-F224 HydrophobicContact CB-CD1 4.03Å; L222-F224 HydrophobicContact CB-CD2 4.44Å; L222-F224 HydrophobicContact CB-CE1 4.04Å; L222-F224 HydrophobicContact CB-CE2 4.45Å; L222-F224 HydrophobicContact CB-CG 4.24Å; L222-F224 HydrophobicContact CB-CZ 4.26Å; L222-F224 HydrophobicContact CD1-CE2 3.99Å; L222-F224 HydrophobicContact CD1-CZ 4.04Å; L222-F224 HydrophobicContact CD2-CE1 3.97Å; L222-F224 HydrophobicContact CD2-CZ 3.9Å; L222-F224 HydrophobicContact CG-CE1 4.42Å; L222-F224 HydrophobicContact CG-CZ 4.28Å; L222-F224 PolarHBondContact O-N 3.01Å; L222-F224 VanDerWaalsContact O-N 3.07Å; L222-V249 CarbonylContact C-O 3.6Å; L222-V249 HydrophobicContact CD2-CB 3.71Å; L222-V249 HydrophobicContact CD2-CG1 4.12Å; L222-V249 HydrophobicContact CD2-CG2 4.14Å
223	A	98.4	Very high	97.5	Very high	1 Å²	1	18 Å²	18	1%	0.008	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	53.1	174.1	0	0	0	0	0	110.5	Y221 K236 P248 V249 V250	Y221-A223 HydrophobicContact CD1-CB 3.79Å; Y221-A223 HydrophobicContact CE1-CB 3.65Å; Y221-A223 PolarHBondContact O-N 3.44Å; Y221-A223 VanDerWaalsContact O-N 3.09Å; A223-K236 HydrophobicContact CB-CB 3.94Å; A223-P248 HydrophobicContact CB-CB 4.17Å; A223-V249 PolarHBondContact N-O 3.01Å; A223-V250 HydrophobicContact CB-CG1 4.21Å
224	F	98.3	Very high	97.6	Very high	1 Å²	1	15.8 Å²	15.8	0%	0.004	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	124.5	-176.5	-68.2	1	0	0	0	110.8	R179 Y182 V183 L222 K236 V249 M251 V270	R179-F224 HydrophobicContact CB-CB 4.25Å; R179-F224 HydrophobicContact CB-CD2 4.24Å; R179-F224 HydrophobicContact CG-CB 4.47Å; R179-F224 PolarHBondContact NH1-O 3.36Å; Y182-F224 AromaticContact CD1-CE2 3.8Å; Y182-F224 HydrophobicContact CD1-CE2 3.8Å; Y182-F224 HydrophobicContact CD1-CZ 4.07Å; Y182-F224 HydrophobicContact CE1-CE2 4.37Å; Y182-F224 HydrophobicContact CE1-CZ 4.16Å; V183-F224 HydrophobicContact CG2-CD2 3.65Å; V183-F224 HydrophobicContact CG2-CE2 3.55Å; L222-F224 HydrophobicContact CB-CD1 4.03Å; L222-F224 HydrophobicContact CB-CD2 4.44Å; L222-F224 HydrophobicContact CB-CE1 4.04Å; L222-F224 HydrophobicContact CB-CE2 4.45Å; L222-F224 HydrophobicContact CB-CG 4.24Å; L222-F224 HydrophobicContact CB-CZ 4.26Å; L222-F224 HydrophobicContact CD1-CE2 3.99Å; L222-F224 HydrophobicContact CD1-CZ 4.04Å; L222-F224 HydrophobicContact CD2-CE1 3.97Å; L222-F224 HydrophobicContact CD2-CZ 3.9Å; L222-F224 HydrophobicContact CG-CE1 4.42Å; L222-F224 HydrophobicContact CG-CZ 4.28Å; L222-F224 PolarHBondContact O-N 3.01Å; L222-F224 VanDerWaalsContact O-N 3.07Å; F224-K236 VanDerWaalsContact O-CD 3.23Å; F224-K236 WeakPolarHBondContact O-CD 3.11Å; F224-V249 WeakPolarHBondContact CD1-O 3.28Å; F224-V249 HydrophobicContact CE1-CB 4.4Å; F224-V249 HydrophobicContact CE1-CG1 4.06Å; F224-V249 WeakPolarHBondContact CE1-O 3.45Å; F224-M251 HydrophobicContact CB-CB 4.1Å; F224-M251 HydrophobicContact CD1-CB 3.54Å; F224-M251 HydrophobicContact CD2-CB 4.28Å; F224-M251 HydrophobicContact CD2-CE 4.44Å; F224-M251 HydrophobicContact CD2-SD 4.22Å; F224-M251 HydrophobicContact CE1-CB 3.97Å; F224-M251 HydrophobicContact CE2-CE 4.22Å; F224-M251 HydrophobicContact CG-CB 3.72Å; F224-M251 HydrophobicContact CG-SD 4.47Å; F224-M251 HydrophobicContact CZ-CB 4.5Å; F224-V270 HydrophobicContact CE1-CG1 3.76Å; F224-V270 HydrophobicContact CZ-CG1 3.82Å
225	E	97.8	Very high	97.6	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	9%	0.085	C	C	.	.			trans	-73.3	160.9	173.2	-60.9	-57.9	170.5	0	0	112.1	N177 R179 S227 Y232 T234 K236 M251	N177-E225 PolarHBondContact ND2-O 2.69Å; N177-E225 PolarHBondContact OD1-O 2.94Å; R179-E225 WeakPolarHBondContact CD-O 3.42Å; E225-S227 VanDerWaalsContact C-N 3.25Å; E225-Y232 HydrophobicContact CB-CD1 4Å; E225-Y232 HydrophobicContact CB-CE1 4.06Å; E225-Y232 HydrophobicContact CG-CD1 4.08Å; E225-Y232 HydrophobicContact CG-CE1 4.3Å; E225-T234 VanDerWaalsContact OE1-CB 3.3Å; E225-T234 WeakPolarHBondContact OE1-CB 3.4Å; E225-T234 WeakPolarHBondContact OE1-CG2 3.36Å; E225-T234 PolarHBondContact OE1-N 2.81Å; E225-T234 PolarHBondContact OE1-OG1 3.21Å; E225-T234 VanDerWaalsContact OE2-CG2 3.29Å; E225-T234 WeakPolarHBondContact OE2-CG2 3.31Å; E225-T234 PolarHBondContact OE2-OG1 3.24Å; E225-K236 WeakPolarHBondContact OE2-CD 3.31Å; E225-K236 WeakPolarHBondContact OE2-CE 3.36Å; E225-K236 IonicContact OE2-NZ 3.25Å; E225-K236 PolarHBondContact OE2-NZ 3.34Å; E225-M251 WeakPolarHBondContact CB-O 3.24Å; E225-M251 PolarHBondContact N-O 3.11Å
226	N	96.8	Very high	97.7	Very high	12 Å²	12	18.3 Å²	18.3	6%	0.064	8%	0.081	C	C	.	.	S	Bend	trans	-83.5	1.1	177.1	62.9	-2.8	0	0	0	112.8	N113 T175 N177 Y232	N113-N226 PolarHBondContact ND2-ND2 3.42Å; T175-N226 HydrophobicContact CG2-CB 3.9Å; N177-N226 PolarHBondContact OD1-O 2.97Å; N226-Y232 WeakPolarHBondContact OD1-CE1 3.08Å; N226-Y232 PolarHBondContact OD1-OH 3.35Å
227	S	97.2	Very high	97.9	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	5%	0.054	C	C	.	.	S	Bend	trans	-158.8	142.7	-177.6	-65.4	0	0	0	0	111	S110 N113 N177 E225 C229	S110-S227 VanDerWaalsContact OG-CB 3.3Å; S110-S227 WeakPolarHBondContact OG-CB 3.28Å; S110-S227 PolarHBondContact OG-OG 3.15Å; N113-S227 PolarHBondContact ND2-OG 2.57Å; N177-S227 PolarHBondContact ND2-N 3.04Å; E225-S227 VanDerWaalsContact C-N 3.25Å; S227-C229 VanDerWaalsContact C-N 3.32Å; S227-C229 PolarHBondContact O-N 3.18Å
228	N	97.1	Very high	97.9	Very high	19 Å²	19	9.2 Å²	9.2	10%	0.102	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	64.6	176.9	-59.7	-19.9	0	0	0	110.4	N177 G252 C339 K340 P341	N177-N228 WeakPolarHBondContact CB-OD1 3.2Å; N177-N228 PolarHBondContact ND2-OD1 2.95Å; N228-G252 VanDerWaalsContact CA-O 3.28Å; N228-G252 WeakPolarHBondContact CA-O 3.19Å; N228-G252 WeakPolarHBondContact CB-O 3.19Å; N228-C339 CarbonylContact O-C 3.14Å; N228-C339 WeakPolarHBondContact O-CA 3.3Å; N228-K340 HydrophobicContact CB-CB 4.27Å; N228-K340 PolarHBondContact O-N 2.92Å; N228-P341 PolarHBondContact ND2-O 3.32Å
229	C	98	Very high	97.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	143.5	-174.6	-59.3	0	0	0	0	112.6	S227 H231 Y232 A253 V338 C339	S227-C229 VanDerWaalsContact C-N 3.32Å; S227-C229 PolarHBondContact O-N 3.18Å; C229-H231 PolarHBondContact O-N 3.09Å; C229-Y232 WeakPolarHBondContact O-CB 3.43Å; C229-Y232 PolarHBondContact O-N 2.69Å; C229-Y232 VanDerWaalsContact O-N 3.12Å; C229-A253 VanDerWaalsContact O-CA 3.3Å; C229-A253 WeakPolarHBondContact O-CA 3.49Å; C229-A253 WeakPolarHBondContact O-CB 3.16Å; C229-V338 CarbonylContact C-O 3.56Å; C229-V338 WeakPolarHBondContact CA-O 3.39Å; C229-C339 HydrophobicContact CB-CB 4.13Å; C229-C339 WeakPolarHBondContact CB-SG 3.17Å; C229-C339 WeakPolarHBondContact SG-CB 3.4Å; C229-C339 CovalentContact SG-SG 2.04Å; C229-C339 PolarHBondContact SG-SG 3.32Å
230	R	97.1	Very high	97.6	Very high	48 Å²	48	13.8 Å²	13.8	18%	0.181	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	133.8	175.1	-65.5	-62	-66.3	-179.4	-16.9	110.8	Y130 Y232 P254 E256 D257 V338	Y130-R230 VanDerWaalsContact CE2-O 3.28Å; Y130-R230 WeakPolarHBondContact CE2-O 3.14Å; R230-Y232 PolarHBondContact O-N 3.41Å; R230-P254 VanDerWaalsContact NH1-CB 3.33Å; R230-E256 IonicContact CZ-OE1 3.62Å; R230-E256 IonicContact NH1-OE1 2.73Å; R230-E256 PolarHBondContact NH1-OE1 3.05Å; R230-E256 IonicContact NH2-OE1 3.63Å; R230-D257 VanDerWaalsContact CA-OD2 3.23Å; R230-D257 WeakPolarHBondContact CA-OD2 3.13Å; R230-D257 IonicContact CZ-OD1 3.27Å; R230-D257 IonicContact CZ-OD2 3.69Å; R230-D257 IonicContact NE-OD1 3.21Å; R230-D257 IonicContact NE-OD2 2.75Å; R230-D257 PolarHBondContact NE-OD2 2.72Å; R230-D257 IonicContact NH1-OD1 3.42Å; R230-D257 PolarHBondContact NH1-OD1 3.23Å; R230-D257 VanDerWaalsContact NH1-OD1 3.12Å; R230-D257 IonicContact NH1-OD2 3.59Å; R230-D257 PolarHBondContact NH1-OD2 2.99Å; R230-D257 IonicContact NH2-OD1 3.78Å; R230-D257 PolarHBondContact NH2-OD1 2.85Å; R230-V338 WeakPolarHBondContact CG-O 3.42Å; R230-V338 PolarHBondContact N-O 3.02Å
231	H	97	Very high	97.6	Very high	9 Å²	9	13.8 Å²	13.8	4%	0.042	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	-3.6	179.2	-48.2	135.7	0	0	0	116.2	E20 Y130 L132 C229 I233 D257	E20-H231 IonicContact OE1-CE1 3.27Å; E20-H231 IonicContact OE1-NE2 3.84Å; E20-H231 IonicContact OE2-NE2 2.69Å; Y130-H231 HydrophobicContact CD2-CB 4.24Å; Y130-H231 WeakPolarHBondContact CD2-O 3.4Å; Y130-H231 HydrophobicContact CE2-CB 4.19Å; L132-H231 HydrophobicContact CG-CB 4.18Å; L132-H231 PolarHBondContact N-ND1 2.04Å; C229-H231 PolarHBondContact O-N 3.09Å; H231-I233 PolarHBondContact O-N 3.12Å; H231-D257 IonicContact CD2-OD1 2.75Å; H231-D257 IonicContact CD2-OD2 3.72Å; H231-D257 PolarHBondContact N-OD2 3.43Å; H231-D257 IonicContact NE2-OD1 3.09Å
232	Y	98.3	Very high	97.5	Very high	5 Å²	5	13.8 Å²	13.8	2%	0.02	6%	0.063	C	C	.	.			trans	-80.3	92	-175.8	-170.3	-106	0	0	0	110.2	L108 E109 Y130 E225 N226 C229 R230 T234	L108-Y232 WeakPolarHBondContact O-CE2 3.28Å; E109-Y232 PolarHBondContact OE1-OH 2.92Å; Y130-Y232 AromaticContact CD1-CD2 3.82Å; Y130-Y232 HydrophobicContact CD1-CD2 3.82Å; Y130-Y232 HydrophobicContact CD1-CE2 4.35Å; Y130-Y232 AromaticContact CD2-CD2 3.95Å; Y130-Y232 HydrophobicContact CD2-CD2 3.95Å; Y130-Y232 AromaticContact CE1-CD2 3.62Å; Y130-Y232 HydrophobicContact CE1-CD2 3.62Å; Y130-Y232 HydrophobicContact CE1-CE2 4.3Å; Y130-Y232 VanDerWaalsContact CE2-CB 3.44Å; Y130-Y232 AromaticContact CE2-CD2 3.78Å; Y130-Y232 HydrophobicContact CE2-CD2 3.78Å; Y130-Y232 HydrophobicContact CE2-CG 4.1Å; Y130-Y232 VanDerWaalsContact CE2-N 3.34Å; Y130-Y232 AromaticContact CG-CD2 3.98Å; Y130-Y232 HydrophobicContact CG-CD2 3.98Å; Y130-Y232 AromaticContact CZ-CD2 3.6Å; E225-Y232 HydrophobicContact CB-CD1 4Å; E225-Y232 HydrophobicContact CB-CE1 4.06Å; E225-Y232 HydrophobicContact CG-CD1 4.08Å; E225-Y232 HydrophobicContact CG-CE1 4.3Å; N226-Y232 WeakPolarHBondContact OD1-CE1 3.08Å; N226-Y232 PolarHBondContact OD1-OH 3.35Å; C229-Y232 WeakPolarHBondContact O-CB 3.43Å; C229-Y232 PolarHBondContact O-N 2.69Å; C229-Y232 VanDerWaalsContact O-N 3.12Å; R230-Y232 PolarHBondContact O-N 3.41Å; Y232-T234 HydrophobicContact CD1-CG2 4.16Å; Y232-T234 HydrophobicContact CD2-CG2 4.26Å; Y232-T234 HydrophobicContact CE1-CG2 3.68Å; Y232-T234 HydrophobicContact CE2-CG2 3.83Å; Y232-T234 HydrophobicContact CG-CG2 4.44Å
233	I	98.5	Very high	97.2	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	9%	0.089	C	C	.	.			trans	-135.5	119.3	179.6	-56.5	173.2	0	0	0	106.7	Y140 H231 L237 F238 A253 D257 Y258 L261	Y140-I233 WeakPolarHBondContact CD2-O 3.5Å; H231-I233 PolarHBondContact O-N 3.12Å; I233-L237 HydrophobicContact CG2-CB 4.01Å; I233-L237 HydrophobicContact CG2-CD1 4.08Å; I233-L237 HydrophobicContact CG2-CG 4.44Å; I233-F238 HydrophobicContact CB-CE2 4.21Å; I233-F238 HydrophobicContact CG2-CD2 4.41Å; I233-F238 HydrophobicContact CG2-CE2 3.64Å; I233-F238 HydrophobicContact CG2-CZ 4.15Å; I233-A253 HydrophobicContact CD1-CB 4.35Å; I233-A253 HydrophobicContact CG1-CB 4.05Å; I233-D257 HydrophobicContact CD1-CB 4.37Å; I233-Y258 HydrophobicContact CB-CE1 4.41Å; I233-Y258 HydrophobicContact CD1-CD1 3.51Å; I233-Y258 HydrophobicContact CD1-CD2 3.76Å; I233-Y258 HydrophobicContact CD1-CE1 3.75Å; I233-Y258 HydrophobicContact CD1-CE2 4Å; I233-Y258 HydrophobicContact CD1-CG 3.49Å; I233-Y258 VanDerWaalsContact CD1-CG 3.49Å; I233-Y258 HydrophobicContact CG1-CD1 4.13Å; I233-Y258 HydrophobicContact CG1-CD2 4.43Å; I233-Y258 HydrophobicContact CG1-CE1 3.83Å; I233-Y258 HydrophobicContact CG1-CE2 4.17Å; I233-Y258 HydrophobicContact CG1-CG 4.41Å; I233-Y258 HydrophobicContact CG2-CD1 4.11Å; I233-Y258 HydrophobicContact CG2-CE1 3.72Å; I233-L261 HydrophobicContact CB-CD1 4.46Å; I233-L261 HydrophobicContact CD1-CD1 4.2Å
234	T	98.2	Very high	97.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.097	C	C	.	.			trans	-116	-167.3	-160	71.7	0	0	0	0	113.6	Y140 E225 Y232 K236 L237 F238	Y140-T234 HydrophobicContact CD2-CG2 4.23Å; Y140-T234 HydrophobicContact CE2-CG2 3.9Å; E225-T234 VanDerWaalsContact OE1-CB 3.3Å; E225-T234 WeakPolarHBondContact OE1-CB 3.4Å; E225-T234 WeakPolarHBondContact OE1-CG2 3.36Å; E225-T234 PolarHBondContact OE1-N 2.81Å; E225-T234 PolarHBondContact OE1-OG1 3.21Å; E225-T234 VanDerWaalsContact OE2-CG2 3.29Å; E225-T234 WeakPolarHBondContact OE2-CG2 3.31Å; E225-T234 PolarHBondContact OE2-OG1 3.24Å; Y232-T234 HydrophobicContact CD1-CG2 4.16Å; Y232-T234 HydrophobicContact CD2-CG2 4.26Å; Y232-T234 HydrophobicContact CE1-CG2 3.68Å; Y232-T234 HydrophobicContact CE2-CG2 3.83Å; Y232-T234 HydrophobicContact CG-CG2 4.44Å; T234-K236 PolarHBondContact O-N 3.27Å; T234-K236 PolarHBondContact OG1-N 3.31Å; T234-K236 PolarHBondContact OG1-NZ 2.87Å; T234-L237 PolarHBondContact O-N 3.12Å; T234-L237 VanDerWaalsContact O-N 3.17Å; T234-F238 WeakPolarHBondContact O-CD2 3.23Å; T234-F238 PolarHBondContact O-N 3.03Å
235	E	96.5	Very high	96.7	Very high	51 Å²	51	22.6 Å²	22.6	24%	0.238	11%	0.105	C	C	.	.	H	α-helix	trans	-50.5	-25.8	173.3	72.5	-68.7	158.4	0	0	113.7	Y140 L237 F238 F239 N240	Y140-E235 HydrophobicContact CD1-CB 4.5Å; Y140-E235 WeakPolarHBondContact CE1-OE2 3.14Å; E235-L237 VanDerWaalsContact C-N 3.31Å; E235-L237 PolarHBondContact O-N 3.02Å; E235-F238 PolarHBondContact O-N 2.79Å; E235-F239 HydrophobicContact CB-CB 4.26Å; E235-F239 HydrophobicContact CB-CD2 3.39Å; E235-F239 HydrophobicContact CB-CE2 4.04Å; E235-F239 HydrophobicContact CB-CG 4.17Å; E235-F239 CarbonylContact O-C 3.44Å; E235-F239 WeakPolarHBondContact O-CA 3.16Å; E235-F239 PolarHBondContact O-N 2.94Å; E235-N240 PolarHBondContact O-N 3.36Å
236	K	97.5	Very high	96.7	Very high	23 Å²	23	22.6 Å²	22.6	10%	0.1	11%	0.105	C	C	.	.	I	π-helix	trans	-58.6	-45	-179.3	-63	172.5	-158	64	0	111	Y221 A223 F224 E225 T234 N240 A241	Y221-K236 HydrophobicContact CE1-CB 4.39Å; Y221-K236 VanDerWaalsContact CE1-O 3.26Å; Y221-K236 WeakPolarHBondContact CE1-O 3.49Å; A223-K236 HydrophobicContact CB-CB 3.94Å; F224-K236 VanDerWaalsContact O-CD 3.23Å; F224-K236 WeakPolarHBondContact O-CD 3.11Å; E225-K236 WeakPolarHBondContact OE2-CD 3.31Å; E225-K236 WeakPolarHBondContact OE2-CE 3.36Å; E225-K236 IonicContact OE2-NZ 3.25Å; E225-K236 PolarHBondContact OE2-NZ 3.34Å; T234-K236 PolarHBondContact O-N 3.27Å; T234-K236 PolarHBondContact OG1-N 3.31Å; T234-K236 PolarHBondContact OG1-NZ 2.87Å; K236-N240 WeakPolarHBondContact O-CB 3.02Å; K236-A241 PolarHBondContact O-N 2.79Å; K236-A241 VanDerWaalsContact O-N 3.15Å
237	L	98.5	Very high	96.8	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	10%	0.102	C	C	.	.	I	π-helix	trans	-77.1	-54.2	173.9	179.8	149.9	0	0	0	110.7	I233 T234 E235 A241 F242 V250 Y258 V262	I233-L237 HydrophobicContact CG2-CB 4.01Å; I233-L237 HydrophobicContact CG2-CD1 4.08Å; I233-L237 HydrophobicContact CG2-CG 4.44Å; T234-L237 PolarHBondContact O-N 3.12Å; T234-L237 VanDerWaalsContact O-N 3.17Å; E235-L237 VanDerWaalsContact C-N 3.31Å; E235-L237 PolarHBondContact O-N 3.02Å; L237-A241 WeakPolarHBondContact O-CB 3.47Å; L237-A241 PolarHBondContact O-N 3.47Å; L237-F242 HydrophobicContact CD1-CZ 4.43Å; L237-F242 HydrophobicContact CD2-CD1 4.47Å; L237-F242 HydrophobicContact CD2-CD2 3.78Å; L237-F242 HydrophobicContact CD2-CE1 4.25Å; L237-F242 HydrophobicContact CD2-CE2 3.52Å; L237-F242 HydrophobicContact CD2-CG 4.26Å; L237-F242 HydrophobicContact CD2-CZ 3.76Å; L237-F242 HydrophobicContact CG-CE1 4.31Å; L237-F242 HydrophobicContact CG-CE2 4.41Å; L237-F242 HydrophobicContact CG-CZ 4.19Å; L237-F242 PolarHBondContact O-N 3.14Å; L237-V250 HydrophobicContact CD1-CG1 4.02Å; L237-Y258 HydrophobicContact CD1-CD1 3.65Å; L237-Y258 HydrophobicContact CD1-CE1 3.69Å; L237-V262 HydrophobicContact CD1-CG1 4.29Å; L237-V262 HydrophobicContact CD2-CG1 3.56Å
238	F	97.6	Very high	96.9	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.018	10%	0.102	C	C	.	.	I	π-helix	trans	-73	-41.9	-165	-67.4	-71.8	0	0	0	113.7	G141 Y143 I233 T234 E235 L261 V262	G141-F238 VanDerWaalsContact C-CZ 3.46Å; G141-F238 VanDerWaalsContact CA-CE1 3.44Å; G141-F238 WeakPolarHBondContact O-CE1 3.39Å; G141-F238 WeakPolarHBondContact O-CZ 3.4Å; Y143-F238 HydrophobicContact CD2-CE1 4.27Å; Y143-F238 HydrophobicContact CE2-CD1 4Å; Y143-F238 HydrophobicContact CE2-CE1 4.2Å; I233-F238 HydrophobicContact CB-CE2 4.21Å; I233-F238 HydrophobicContact CG2-CD2 4.41Å; I233-F238 HydrophobicContact CG2-CE2 3.64Å; I233-F238 HydrophobicContact CG2-CZ 4.15Å; T234-F238 WeakPolarHBondContact O-CD2 3.23Å; T234-F238 PolarHBondContact O-N 3.03Å; E235-F238 PolarHBondContact O-N 2.79Å; F238-L261 HydrophobicContact CZ-CB 4.22Å; F238-L261 HydrophobicContact CZ-CD1 4.43Å; F238-V262 HydrophobicContact CD1-CG1 4.45Å; F238-V262 HydrophobicContact CE1-CG1 3.5Å; F238-V262 VanDerWaalsContact CE1-CG1 3.5Å; F238-V262 HydrophobicContact CZ-CG1 3.78Å
239	F	95.3	Very high	96.9	Very high	87 Å²	87	21.2 Å²	21.2	38%	0.382	10%	0.097	S	C	.	.	I	π-helix	trans	-103.9	-43.7	-174.2	-51	-34	0	0	0	111.2	E235 Q243 H244	E235-F239 HydrophobicContact CB-CB 4.26Å; E235-F239 HydrophobicContact CB-CD2 3.39Å; E235-F239 HydrophobicContact CB-CE2 4.04Å; E235-F239 HydrophobicContact CB-CG 4.17Å; E235-F239 CarbonylContact O-C 3.44Å; E235-F239 WeakPolarHBondContact O-CA 3.16Å; E235-F239 PolarHBondContact O-N 2.94Å; F239-Q243 WeakPolarHBondContact O-CB 3.31Å; F239-H244 PolarHBondContact O-CE1 3.26Å; F239-H244 PolarHBondContact O-ND1 3.21Å
240	N	95.7	Very high	97	Very high	23 Å²	23	21.2 Å²	21.2	12%	0.123	10%	0.097	C	C	.	.	I	π-helix	trans	-76.4	-41.3	-177.1	-54.8	-13.5	0	0	0	111.8	W211 Y221 E235 K236 H244	W211-N240 HydrophobicContact CH2-CB 4.01Å; W211-N240 VanDerWaalsContact CH2-CG 3.47Å; W211-N240 HydrophobicContact CZ3-CB 3.95Å; Y221-N240 HydrophobicContact CE1-CB 3.7Å; Y221-N240 PolarHBondContact OH-ND2 3.11Å; E235-N240 PolarHBondContact O-N 3.36Å; K236-N240 WeakPolarHBondContact O-CB 3.02Å; N240-H244 WeakPolarHBondContact O-CB 3.28Å; N240-H244 PolarHBondContact O-ND1 2.94Å
241	A	97.4	Very high	97	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.091	C	C	.	.	I	π-helix	trans	-90.5	-60.9	-178.5	0	0	0	0	0	113.3	Y221 K236 L237 Q243 H244 N245 V246 P248	Y221-A241 HydrophobicContact CD1-CB 3.83Å; Y221-A241 HydrophobicContact CE1-CB 4.5Å; K236-A241 PolarHBondContact O-N 2.79Å; K236-A241 VanDerWaalsContact O-N 3.15Å; L237-A241 WeakPolarHBondContact O-CB 3.47Å; L237-A241 PolarHBondContact O-N 3.47Å; A241-Q243 VanDerWaalsContact C-N 3.28Å; A241-Q243 PolarHBondContact O-N 3.42Å; A241-H244 PolarHBondContact O-N 3.04Å; A241-N245 PolarHBondContact O-N 2.86Å; A241-V246 HydrophobicContact CB-CG2 4.16Å; A241-P248 HydrophobicContact CB-CB 3.63Å; A241-P248 HydrophobicContact CB-CG 4.02Å
242	F	96.5	Very high	97	Very high	3 Å²	3	19.3 Å²	19.3	1%	0.013	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-25.8	-170.6	-79.8	4.5	0	0	0	114.2	Y143 L237 H244 P248 V262 S266 W299 R300	Y143-F242 HydrophobicContact CD2-CD2 4.47Å; Y143-F242 HydrophobicContact CD2-CE2 4.31Å; Y143-F242 AromaticContact CE2-CD2 3.64Å; Y143-F242 HydrophobicContact CE2-CD2 3.64Å; Y143-F242 AromaticContact CE2-CE2 3.91Å; Y143-F242 HydrophobicContact CE2-CE2 3.91Å; Y143-F242 AromaticContact CZ-CD2 3.87Å; L237-F242 HydrophobicContact CD1-CZ 4.43Å; L237-F242 HydrophobicContact CD2-CD1 4.47Å; L237-F242 HydrophobicContact CD2-CD2 3.78Å; L237-F242 HydrophobicContact CD2-CE1 4.25Å; L237-F242 HydrophobicContact CD2-CE2 3.52Å; L237-F242 HydrophobicContact CD2-CG 4.26Å; L237-F242 HydrophobicContact CD2-CZ 3.76Å; L237-F242 HydrophobicContact CG-CE1 4.31Å; L237-F242 HydrophobicContact CG-CE2 4.41Å; L237-F242 HydrophobicContact CG-CZ 4.19Å; L237-F242 PolarHBondContact O-N 3.14Å; F242-H244 VanDerWaalsContact C-N 3.34Å; F242-P248 HydrophobicContact CD1-CG 4.06Å; F242-P248 HydrophobicContact CE1-CG 3.6Å; F242-V262 HydrophobicContact CE2-CB 3.98Å; F242-V262 HydrophobicContact CE2-CG1 3.9Å; F242-V262 HydrophobicContact CZ-CB 4.14Å; F242-V262 HydrophobicContact CZ-CG1 4.31Å; F242-S266 WeakPolarHBondContact CE1-O 3.23Å; F242-S266 WeakPolarHBondContact CZ-OG 3.43Å; F242-W299 HydrophobicContact CB-CH2 4.37Å; F242-W299 HydrophobicContact CD1-CZ2 4.01Å; F242-W299 AromaticContact CD2-CH2 3.95Å; F242-W299 HydrophobicContact CD2-CH2 3.95Å; F242-W299 HydrophobicContact CD2-CZ2 4.15Å; F242-W299 HydrophobicContact CE1-CZ2 4.18Å; F242-W299 HydrophobicContact CE2-CH2 4.33Å; F242-W299 HydrophobicContact CE2-CZ2 4.33Å; F242-W299 HydrophobicContact CG-CH2 4.06Å; F242-W299 AromaticContact CG-CZ2 3.99Å; F242-W299 HydrophobicContact CG-CZ2 3.99Å; F242-W299 HydrophobicContact CZ-CZ2 4.36Å; F242-R300 PolarHBondContact O-NH1 2.66Å; F242-R300 PolarHBondContact O-NH2 3.25Å
243	Q	94.4	Very high	97	Very high	120 Å²	120	19 Å²	19	56%	0.561	9%	0.091	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-9.8	174.5	-59.7	-179.3	-13.5	0	0	113.3	F239 A241	F239-Q243 WeakPolarHBondContact O-CB 3.31Å; A241-Q243 VanDerWaalsContact C-N 3.28Å; A241-Q243 PolarHBondContact O-N 3.42Å
244	H	95.1	Very high	96.9	Very high	36 Å²	36	19.5 Å²	19.5	17%	0.167	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	21	-172.4	-60.6	100.5	0	0	0	114.1	W211 L214 A215 F239 N240 A241 F242 V246	W211-H244 WeakPolarHBondContact CB-NE2 3.42Å; W211-H244 AromaticContact CG-NE2 3.97Å; L214-H244 HydrophobicContact CD2-CB 4.37Å; A215-H244 WeakPolarHBondContact CA-O 3.3Å; A215-H244 HydrophobicContact CB-CB 4.02Å; A215-H244 WeakPolarHBondContact CB-O 3.1Å; F239-H244 PolarHBondContact O-CE1 3.26Å; F239-H244 PolarHBondContact O-ND1 3.21Å; N240-H244 WeakPolarHBondContact O-CB 3.28Å; N240-H244 PolarHBondContact O-ND1 2.94Å; A241-H244 PolarHBondContact O-N 3.04Å; F242-H244 VanDerWaalsContact C-N 3.34Å; H244-V246 WeakPolarHBondContact O-CG1 3.5Å; H244-V246 PolarHBondContact O-N 3.3Å; H244-V246 VanDerWaalsContact O-N 3.1Å
245	N	90.8	Very high	96.8	Very high	32 Å²	32	23 Å²	23	17%	0.171	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	43.8	172.2	-56.3	-38.7	0	0	0	114.1	W158 K162 A241 R300	W158-N245 HydrophobicContact CD2-CB 3.65Å; W158-N245 VanDerWaalsContact CE2-CG 3.46Å; W158-N245 HydrophobicContact CE3-CB 4.02Å; W158-N245 HydrophobicContact CG-CB 3.95Å; W158-N245 WeakPolarHBondContact CH2-ND2 3.31Å; W158-N245 HydrophobicContact CZ2-CB 4.24Å; W158-N245 WeakPolarHBondContact CZ2-ND2 3.46Å; W158-N245 HydrophobicContact CZ3-CB 4.47Å; K162-N245 PolarHBondContact NZ-O 3.31Å; A241-N245 PolarHBondContact O-N 2.86Å; N245-R300 PolarHBondContact OD1-NH2 2.91Å; N245-R300 VanDerWaalsContact OD1-NH2 3.12Å
246	V	97.3	Very high	96.8	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	12%	0.116	C	C	.	.			trans	-122.7	148.9	173.3	-65.5	0	0	0	0	109	L214 Y218 A241 H244 P248	L214-V246 HydrophobicContact CD1-CG1 4.08Å; L214-V246 HydrophobicContact CD1-CG2 4.47Å; L214-V246 HydrophobicContact CD2-CG2 4.3Å; L214-V246 HydrophobicContact CG-CG1 4.01Å; L214-V246 HydrophobicContact CG-CG2 4.3Å; L214-V246 WeakPolarHBondContact O-CG1 3.41Å; Y218-V246 WeakPolarHBondContact O-CG1 3.07Å; A241-V246 HydrophobicContact CB-CG2 4.16Å; H244-V246 WeakPolarHBondContact O-CG1 3.5Å; H244-V246 PolarHBondContact O-N 3.3Å; H244-V246 VanDerWaalsContact O-N 3.1Å; V246-P248 VanDerWaalsContact O-CD 3.29Å; V246-P248 WeakPolarHBondContact O-CD 3.35Å
247	I	98.5	Very high	96.7	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	117.8	176.7	-59.2	175.6	0	0	0	107.9	K219 F220 Y221 I268 V286 Y293 F296 F297	K219-I247 PolarHBondContact O-N 3.41Å; F220-I247 VanDerWaalsContact CA-O 3.31Å; F220-I247 WeakPolarHBondContact CA-O 3.44Å; F220-I247 HydrophobicContact CD1-CB 3.79Å; F220-I247 HydrophobicContact CD1-CD1 4.42Å; F220-I247 HydrophobicContact CD1-CG2 4.1Å; F220-I247 HydrophobicContact CE1-CB 4.17Å; F220-I247 HydrophobicContact CE1-CD1 3.95Å; F220-I247 HydrophobicContact CE1-CG2 4.35Å; Y221-I247 PolarHBondContact N-O 2.72Å; I247-I268 HydrophobicContact CG2-CD1 3.83Å; I247-I268 HydrophobicContact CG2-CG1 4.01Å; I247-V286 HydrophobicContact CD1-CG1 4.04Å; I247-Y293 HydrophobicContact CD1-CD2 3.4Å; I247-Y293 VanDerWaalsContact CD1-CD2 3.4Å; I247-Y293 HydrophobicContact CD1-CE2 3.32Å; I247-Y293 HydrophobicContact CD1-CG 4.12Å; I247-Y293 HydrophobicContact CG1-CD2 4.44Å; I247-Y293 HydrophobicContact CG1-CE2 3.91Å; I247-F296 HydrophobicContact CD1-CB 3.71Å; I247-F296 HydrophobicContact CD1-CD2 3.67Å; I247-F296 HydrophobicContact CD1-CE2 4.45Å; I247-F296 HydrophobicContact CD1-CG 3.76Å; I247-F296 HydrophobicContact CG1-CB 3.84Å; I247-F296 HydrophobicContact CG1-CG 4.23Å; I247-F296 HydrophobicContact CG2-CB 4.41Å; I247-F296 HydrophobicContact CG2-CD1 3.97Å; I247-F296 HydrophobicContact CG2-CE1 4.41Å; I247-F296 HydrophobicContact CG2-CG 4.13Å; I247-F297 HydrophobicContact CD1-CE2 4.16Å; I247-F297 HydrophobicContact CG1-CE2 3.7Å; I247-F297 HydrophobicContact CG1-CZ 3.62Å
248	P	98.8	Very high	96.7	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	130.2	174.6	25.2	-27.7	0	0	0	111	Y221 A223 A241 F242 V246 V250 S266 F267 I268	Y221-P248 WeakPolarHBondContact O-CA 3.37Å; A223-P248 HydrophobicContact CB-CB 4.17Å; A241-P248 HydrophobicContact CB-CB 3.63Å; A241-P248 HydrophobicContact CB-CG 4.02Å; F242-P248 HydrophobicContact CD1-CG 4.06Å; F242-P248 HydrophobicContact CE1-CG 3.6Å; V246-P248 VanDerWaalsContact O-CD 3.29Å; V246-P248 WeakPolarHBondContact O-CD 3.35Å; P248-V250 HydrophobicContact CB-CG1 3.97Å; P248-S266 WeakPolarHBondContact CD-O 3.38Å; P248-S266 WeakPolarHBondContact CG-O 3.23Å; P248-F267 HydrophobicContact CG-CB 3.86Å; P248-F267 WeakPolarHBondContact O-CA 3.09Å; P248-I268 PolarHBondContact O-N 3.17Å
249	V	98.9	Very high	96.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	120	162.7	-171.6	0	0	0	0	106.8	F220 Y221 L222 A223 F224 I268 V270 L279 L283	F220-V249 HydrophobicContact CB-CG2 4.09Å; F220-V249 HydrophobicContact CD1-CG2 4.3Å; F220-V249 HydrophobicContact CG-CG2 4.47Å; Y221-V249 PolarHBondContact O-N 3.23Å; L222-V249 CarbonylContact C-O 3.6Å; L222-V249 HydrophobicContact CD2-CB 3.71Å; L222-V249 HydrophobicContact CD2-CG1 4.12Å; L222-V249 HydrophobicContact CD2-CG2 4.14Å; A223-V249 PolarHBondContact N-O 3.01Å; F224-V249 WeakPolarHBondContact CD1-O 3.28Å; F224-V249 HydrophobicContact CE1-CB 4.4Å; F224-V249 HydrophobicContact CE1-CG1 4.06Å; F224-V249 WeakPolarHBondContact CE1-O 3.45Å; V249-I268 CarbonylContact C-O 3.51Å; V249-I268 VanDerWaalsContact CA-O 3.3Å; V249-I268 WeakPolarHBondContact CA-O 3.33Å; V249-I268 HydrophobicContact CG1-CG2 4.47Å; V249-I268 HydrophobicContact CG2-CB 4.43Å; V249-V270 HydrophobicContact CG1-CG1 4.24Å; V249-L279 HydrophobicContact CG1-CD1 4.01Å; V249-L279 HydrophobicContact CG1-CD2 4.03Å; V249-L283 HydrophobicContact CG2-CD1 4.21Å; V249-L283 HydrophobicContact CG2-CD2 3.71Å
250	V	98.7	Very high	96.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	141.7	-165.3	-55.7	0	0	0	0	112	A223 L237 P248 Y258 F267 I268 H269 V270	A223-V250 HydrophobicContact CB-CG1 4.21Å; L237-V250 HydrophobicContact CD1-CG1 4.02Å; P248-V250 HydrophobicContact CB-CG1 3.97Å; V250-Y258 HydrophobicContact CB-CD1 4.44Å; V250-Y258 HydrophobicContact CB-CE1 3.62Å; V250-Y258 HydrophobicContact CB-CE2 4.47Å; V250-Y258 HydrophobicContact CG1-CD1 4.41Å; V250-Y258 HydrophobicContact CG1-CE1 3.75Å; V250-Y258 HydrophobicContact CG2-CD1 4.04Å; V250-Y258 HydrophobicContact CG2-CD2 4.4Å; V250-Y258 HydrophobicContact CG2-CE1 3.64Å; V250-Y258 HydrophobicContact CG2-CE2 4Å; V250-Y258 HydrophobicContact CG2-CG 4.42Å; V250-F267 HydrophobicContact CG1-CB 4.21Å; V250-F267 HydrophobicContact CG2-CD2 3.63Å; V250-F267 HydrophobicContact CG2-CE2 4.26Å; V250-F267 HydrophobicContact CG2-CG 4.41Å; V250-I268 PolarHBondContact N-O 3.16Å; V250-H269 HydrophobicContact CG2-CB 4.2Å; V250-H269 VanDerWaalsContact CG2-CD2 3.42Å; V250-H269 WeakPolarHBondContact CG2-CD2 3.1Å; V250-V270 WeakPolarHBondContact O-CG1 3.41Å; V250-V270 WeakPolarHBondContact O-CG2 3.23Å; V250-V270 PolarHBondContact O-N 2.76Å
251	M	97.9	Very high	96.7	Very high	11 Å²	11	21.3 Å²	21.3	5%	0.054	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	130.3	172.8	173.3	-176.7	-74.4	0	0	106.9	R179 Y182 F224 E225 V270	R179-M251 HydrophobicContact CB-SD 3.77Å; Y182-M251 HydrophobicContact CD1-CE 3.66Å; Y182-M251 HydrophobicContact CD2-CE 3.42Å; Y182-M251 VanDerWaalsContact CD2-CE 3.42Å; Y182-M251 HydrophobicContact CE1-CE 4.11Å; Y182-M251 HydrophobicContact CE2-CE 3.88Å; Y182-M251 HydrophobicContact CG-CE 3.29Å; F224-M251 HydrophobicContact CB-CB 4.1Å; F224-M251 HydrophobicContact CD1-CB 3.54Å; F224-M251 HydrophobicContact CD2-CB 4.28Å; F224-M251 HydrophobicContact CD2-CE 4.44Å; F224-M251 HydrophobicContact CD2-SD 4.22Å; F224-M251 HydrophobicContact CE1-CB 3.97Å; F224-M251 HydrophobicContact CE2-CE 4.22Å; F224-M251 HydrophobicContact CG-CB 3.72Å; F224-M251 HydrophobicContact CG-SD 4.47Å; F224-M251 HydrophobicContact CZ-CB 4.5Å; E225-M251 WeakPolarHBondContact CB-O 3.24Å; E225-M251 PolarHBondContact N-O 3.11Å; M251-V270 HydrophobicContact CB-CG1 4.13Å; M251-V270 HydrophobicContact CB-CG2 3.72Å; M251-V270 HydrophobicContact CE-CB 4.41Å; M251-V270 HydrophobicContact CE-CG1 4.24Å; M251-V270 HydrophobicContact CE-CG2 3.97Å; M251-V270 HydrophobicContact CG-CG2 3.95Å
252	G	97.3	Very high	96.7	Very high	5 Å²	5	21.4 Å²	21.4	5%	0.052	10%	0.1	C	C	.	.	S	Bend	trans	158.7	-119.7	-178.4	0	0	0	0	0	111.4	N228	N228-G252 VanDerWaalsContact CA-O 3.28Å; N228-G252 WeakPolarHBondContact CA-O 3.19Å; N228-G252 WeakPolarHBondContact CB-O 3.19Å
253	A	97.2	Very high	96.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-53.2	157.8	173.2	0	0	0	0	0	112.2	C229 I233 D257 Y258 H269	C229-A253 VanDerWaalsContact O-CA 3.3Å; C229-A253 WeakPolarHBondContact O-CA 3.49Å; C229-A253 WeakPolarHBondContact O-CB 3.16Å; I233-A253 HydrophobicContact CD1-CB 4.35Å; I233-A253 HydrophobicContact CG1-CB 4.05Å; A253-D257 HydrophobicContact CB-CB 3.88Å; A253-Y258 HydrophobicContact CB-CE2 4.13Å; A253-Y258 VanDerWaalsContact O-CE2 3.25Å; A253-Y258 WeakPolarHBondContact O-CE2 3.32Å; A253-H269 PolarHBondContact O-NE2 2.83Å; A253-H269 VanDerWaalsContact O-NE2 3.07Å
254	P	96	Very high	96.8	Very high	11 Å²	11	17.5 Å²	17.5	7%	0.071	9%	0.086	C	C	.	.			trans	-60.9	153.4	171.5	-28.6	40.1	0	0	0	112.8	R230 E256 D257	R230-P254 VanDerWaalsContact NH1-CB 3.33Å; P254-E256 HydrophobicContact CB-CG 4.38Å; P254-E256 WeakPolarHBondContact CB-OE1 3.44Å; P254-E256 VanDerWaalsContact CB-OE2 3.31Å; P254-E256 WeakPolarHBondContact CB-OE2 3.45Å; P254-E256 PolarHBondContact O-N 3.34Å; P254-E256 VanDerWaalsContact O-N 3.12Å; P254-D257 WeakPolarHBondContact O-CB 3.47Å; P254-D257 PolarHBondContact O-N 3.16Å
255	R	96.6	Very high	96.8	Very high	72 Å²	72	19.3 Å²	19.3	27%	0.272	10%	0.097	S	C	.	.	H	α-helix	trans	-54.3	-36.7	-174.5	-168	-170.2	-178.4	-68.2	0.6	113.5	D257 Y258 L259 F267 H269 D272	R255-D257 PolarHBondContact O-N 3Å; R255-Y258 WeakPolarHBondContact O-CB 3.17Å; R255-Y258 PolarHBondContact O-N 2.97Å; R255-L259 VanDerWaalsContact NH1-CG 3.27Å; R255-L259 PolarHBondContact O-N 3.26Å; R255-L259 VanDerWaalsContact O-N 3.11Å; R255-F267 HydrophobicContact CG-CE2 4.13Å; R255-F267 HydrophobicContact CG-CZ 4.34Å; R255-H269 HydrophobicContact CG-CB 4.14Å; R255-D272 VanDerWaalsContact CD-OD1 3.26Å; R255-D272 WeakPolarHBondContact CD-OD1 3.34Å; R255-D272 IonicContact NE-OD1 3.12Å; R255-D272 PolarHBondContact NE-OD1 2.94Å; R255-D272 IonicContact NE-OD2 3.56Å; R255-D272 PolarHBondContact NE-OD2 3.06Å
256	E	96	Very high	97.1	Very high	91 Å²	91	17.9 Å²	17.9	43%	0.425	9%	0.089	S	C	.	.	H	α-helix	trans	-62.7	-26.1	177	63.8	-87.4	-166.1	0	0	113.4	R230 P254 R260	R230-E256 IonicContact CZ-OE1 3.62Å; R230-E256 IonicContact NH1-OE1 2.73Å; R230-E256 PolarHBondContact NH1-OE1 3.05Å; R230-E256 IonicContact NH2-OE1 3.63Å; P254-E256 HydrophobicContact CB-CG 4.38Å; P254-E256 WeakPolarHBondContact CB-OE1 3.44Å; P254-E256 VanDerWaalsContact CB-OE2 3.31Å; P254-E256 WeakPolarHBondContact CB-OE2 3.45Å; P254-E256 PolarHBondContact O-N 3.34Å; P254-E256 VanDerWaalsContact O-N 3.12Å; E256-R260 VanDerWaalsContact CG-NH1 3.31Å; E256-R260 WeakPolarHBondContact O-CG 3.35Å; E256-R260 PolarHBondContact O-N 3.01Å; E256-R260 PolarHBondContact O-NH1 2.91Å
257	D	96.8	Very high	97.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-74.9	-38.1	176.4	-65.3	-8.9	0	0	0	110.8	R230 H231 I233 A253 P254 R255 L259 R260 L261	R230-D257 VanDerWaalsContact CA-OD2 3.23Å; R230-D257 WeakPolarHBondContact CA-OD2 3.13Å; R230-D257 IonicContact CZ-OD1 3.27Å; R230-D257 IonicContact CZ-OD2 3.69Å; R230-D257 IonicContact NE-OD1 3.21Å; R230-D257 IonicContact NE-OD2 2.75Å; R230-D257 PolarHBondContact NE-OD2 2.72Å; R230-D257 IonicContact NH1-OD1 3.42Å; R230-D257 PolarHBondContact NH1-OD1 3.23Å; R230-D257 VanDerWaalsContact NH1-OD1 3.12Å; R230-D257 IonicContact NH1-OD2 3.59Å; R230-D257 PolarHBondContact NH1-OD2 2.99Å; R230-D257 IonicContact NH2-OD1 3.78Å; R230-D257 PolarHBondContact NH2-OD1 2.85Å; H231-D257 IonicContact CD2-OD1 2.75Å; H231-D257 IonicContact CD2-OD2 3.72Å; H231-D257 PolarHBondContact N-OD2 3.43Å; H231-D257 IonicContact NE2-OD1 3.09Å; I233-D257 HydrophobicContact CD1-CB 4.37Å; A253-D257 HydrophobicContact CB-CB 3.88Å; P254-D257 WeakPolarHBondContact O-CB 3.47Å; P254-D257 PolarHBondContact O-N 3.16Å; R255-D257 PolarHBondContact O-N 3Å; D257-L259 VanDerWaalsContact C-N 3.35Å; D257-R260 WeakPolarHBondContact O-CB 3.35Å; D257-R260 PolarHBondContact O-N 2.89Å; D257-R260 IonicContact OD1-CZ 3.61Å; D257-R260 IonicContact OD1-NH1 2.61Å; D257-R260 PolarHBondContact OD1-NH1 3.45Å; D257-R260 IonicContact OD1-NH2 3.31Å; D257-L261 PolarHBondContact O-N 3.36Å
258	Y	97.9	Very high	97.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.2	-47.9	170.6	-71.8	-93.7	0	0	0	110.6	I233 L237 V250 A253 R255 R260 L261 V262 F267 H269	I233-Y258 HydrophobicContact CB-CE1 4.41Å; I233-Y258 HydrophobicContact CD1-CD1 3.51Å; I233-Y258 HydrophobicContact CD1-CD2 3.76Å; I233-Y258 HydrophobicContact CD1-CE1 3.75Å; I233-Y258 HydrophobicContact CD1-CE2 4Å; I233-Y258 HydrophobicContact CD1-CG 3.49Å; I233-Y258 VanDerWaalsContact CD1-CG 3.49Å; I233-Y258 HydrophobicContact CG1-CD1 4.13Å; I233-Y258 HydrophobicContact CG1-CD2 4.43Å; I233-Y258 HydrophobicContact CG1-CE1 3.83Å; I233-Y258 HydrophobicContact CG1-CE2 4.17Å; I233-Y258 HydrophobicContact CG1-CG 4.41Å; I233-Y258 HydrophobicContact CG2-CD1 4.11Å; I233-Y258 HydrophobicContact CG2-CE1 3.72Å; L237-Y258 HydrophobicContact CD1-CD1 3.65Å; L237-Y258 HydrophobicContact CD1-CE1 3.69Å; V250-Y258 HydrophobicContact CB-CD1 4.44Å; V250-Y258 HydrophobicContact CB-CE1 3.62Å; V250-Y258 HydrophobicContact CB-CE2 4.47Å; V250-Y258 HydrophobicContact CG1-CD1 4.41Å; V250-Y258 HydrophobicContact CG1-CE1 3.75Å; V250-Y258 HydrophobicContact CG2-CD1 4.04Å; V250-Y258 HydrophobicContact CG2-CD2 4.4Å; V250-Y258 HydrophobicContact CG2-CE1 3.64Å; V250-Y258 HydrophobicContact CG2-CE2 4Å; V250-Y258 HydrophobicContact CG2-CG 4.42Å; A253-Y258 HydrophobicContact CB-CE2 4.13Å; A253-Y258 VanDerWaalsContact O-CE2 3.25Å; A253-Y258 WeakPolarHBondContact O-CE2 3.32Å; R255-Y258 WeakPolarHBondContact O-CB 3.17Å; R255-Y258 PolarHBondContact O-N 2.97Å; Y258-R260 PolarHBondContact O-N 3.46Å; Y258-R260 VanDerWaalsContact O-N 3.13Å; Y258-L261 PolarHBondContact O-N 3.15Å; Y258-V262 WeakPolarHBondContact O-CG2 3.39Å; Y258-V262 PolarHBondContact O-N 3.16Å; Y258-F267 HydrophobicContact CG-CE2 4.09Å; Y258-F267 HydrophobicContact CG-CZ 4.13Å; Y258-H269 AromaticContact CD2-CD2 3.63Å; Y258-H269 AromaticContact CD2-NE2 3.62Å; Y258-H269 AromaticContact CE2-CD2 3.7Å; Y258-H269 AromaticContact CE2-NE2 3.41Å; Y258-H269 WeakPolarHBondContact CE2-NE2 3.48Å
259	L	96.7	Very high	97.2	Very high	36 Å²	36	18.3 Å²	18.3	19%	0.188	9%	0.091	C	C	.	.	H	α-helix	trans	-61.4	-22.4	179.4	-71.9	-173.5	0	0	0	114.7	R255 D257 P264 F267	R255-L259 VanDerWaalsContact NH1-CG 3.27Å; R255-L259 PolarHBondContact O-N 3.26Å; R255-L259 VanDerWaalsContact O-N 3.11Å; D257-L259 VanDerWaalsContact C-N 3.35Å; L259-P264 HydrophobicContact CD2-CB 4.08Å; L259-F267 HydrophobicContact CD2-CE1 4.21Å; L259-F267 HydrophobicContact CD2-CZ 4.12Å
260	R	95.4	Very high	97.1	Very high	27 Å²	27	18.4 Å²	18.4	10%	0.102	9%	0.092	C	C	.	.	H	α-helix	trans	-72.7	-41.1	173.6	-72.8	171.1	179	103	-24.1	111.6	K17 E20 T21 L132 E256 D257 Y258	K17-R260 PolarHBondContact NZ-O 2.94Å; E20-R260 IonicContact OE2-CZ 3.48Å; E20-R260 IonicContact OE2-NE 3.71Å; E20-R260 PolarHBondContact OE2-NE 3.06Å; E20-R260 IonicContact OE2-NH2 3.12Å; E20-R260 PolarHBondContact OE2-NH2 3.24Å; T21-R260 HydrophobicContact CG2-CB 3.95Å; L132-R260 HydrophobicContact CD1-CB 4.36Å; E256-R260 VanDerWaalsContact CG-NH1 3.31Å; E256-R260 WeakPolarHBondContact O-CG 3.35Å; E256-R260 PolarHBondContact O-N 3.01Å; E256-R260 PolarHBondContact O-NH1 2.91Å; D257-R260 WeakPolarHBondContact O-CB 3.35Å; D257-R260 PolarHBondContact O-N 2.89Å; D257-R260 IonicContact OD1-CZ 3.61Å; D257-R260 IonicContact OD1-NH1 2.61Å; D257-R260 PolarHBondContact OD1-NH1 3.45Å; D257-R260 IonicContact OD1-NH2 3.31Å; Y258-R260 PolarHBondContact O-N 3.46Å; Y258-R260 VanDerWaalsContact O-N 3.13Å
261	L	97	Very high	97	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-92.8	-33.9	-171.1	-71	-177.9	0	0	0	114.1	T21 L132 P139 L142 Y143 I233 F238 D257 Y258	T21-L261 HydrophobicContact CG2-CD2 4.21Å; L132-L261 HydrophobicContact CD1-CD2 4.32Å; L132-L261 HydrophobicContact CD1-CG 4.49Å; L132-L261 HydrophobicContact CD2-CD2 4.04Å; P139-L261 HydrophobicContact CB-CD1 4.04Å; P139-L261 HydrophobicContact CB-CD2 3.87Å; P139-L261 HydrophobicContact CG-CD2 4.14Å; L142-L261 HydrophobicContact CD1-CD2 3.84Å; Y143-L261 PolarHBondContact N-O 3.27Å; I233-L261 HydrophobicContact CB-CD1 4.46Å; I233-L261 HydrophobicContact CD1-CD1 4.2Å; F238-L261 HydrophobicContact CZ-CB 4.22Å; F238-L261 HydrophobicContact CZ-CD1 4.43Å; D257-L261 PolarHBondContact O-N 3.36Å; Y258-L261 PolarHBondContact O-N 3.15Å
262	V	96.9	Very high	96.9	Very high	2 Å²	2	26 Å²	26	1%	0.012	13%	0.132	C	C	.	.	S	Bend	trans	-124.3	160.7	-170.7	-55.3	0	0	0	0	111.6	L237 F238 F242 Y258 F267	L237-V262 HydrophobicContact CD1-CG1 4.29Å; L237-V262 HydrophobicContact CD2-CG1 3.56Å; F238-V262 HydrophobicContact CD1-CG1 4.45Å; F238-V262 HydrophobicContact CE1-CG1 3.5Å; F238-V262 VanDerWaalsContact CE1-CG1 3.5Å; F238-V262 HydrophobicContact CZ-CG1 3.78Å; F242-V262 HydrophobicContact CE2-CB 3.98Å; F242-V262 HydrophobicContact CE2-CG1 3.9Å; F242-V262 HydrophobicContact CZ-CB 4.14Å; F242-V262 HydrophobicContact CZ-CG1 4.31Å; Y258-V262 WeakPolarHBondContact O-CG2 3.39Å; Y258-V262 PolarHBondContact O-N 3.16Å; V262-F267 HydrophobicContact CG2-CD1 3.59Å; V262-F267 HydrophobicContact CG2-CE1 3.55Å
263	P	96.3	Very high	96.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.135	C	C	.	.			trans	-61.8	144.7	179.6	-23.4	36.8	0	0	0	112.1	Y143 S266 W299 Y303	Y143-P263 HydrophobicContact CD1-CG 4.43Å; Y143-P263 HydrophobicContact CG-CG 4.22Å; P263-S266 WeakPolarHBondContact O-CB 3.31Å; P263-S266 PolarHBondContact O-N 3.38Å; P263-S266 PolarHBondContact O-OG 2.92Å; P263-W299 HydrophobicContact CB-CB 3.49Å; P263-W299 VanDerWaalsContact CB-CB 3.49Å; P263-W299 HydrophobicContact CB-CD2 4.35Å; P263-W299 HydrophobicContact CB-CG 3.96Å; P263-W299 HydrophobicContact CG-CB 3.97Å; P263-W299 HydrophobicContact CG-CD2 3.96Å; P263-W299 HydrophobicContact CG-CE3 3.72Å; P263-W299 HydrophobicContact CG-CG 4.1Å; P263-W299 HydrophobicContact CG-CZ3 4.46Å; P263-Y303 HydrophobicContact CB-CD1 3.84Å; P263-Y303 HydrophobicContact CB-CD2 3.65Å; P263-Y303 HydrophobicContact CB-CE1 4Å; P263-Y303 HydrophobicContact CB-CE2 3.86Å; P263-Y303 HydrophobicContact CB-CG 3.68Å; P263-Y303 HydrophobicContact CG-CD1 3.65Å; P263-Y303 HydrophobicContact CG-CD2 3.91Å; P263-Y303 HydrophobicContact CG-CE1 4.29Å; P263-Y303 HydrophobicContact CG-CG 3.44Å; P263-Y303 VanDerWaalsContact CG-CG 3.44Å
264	P	95.7	Very high	96.7	Very high	41 Å²	41	32.7 Å²	32.7	27%	0.266	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	150.5	170.1	28.5	-34.2	0	0	0	110.1	L259 S266 Y303	L259-P264 HydrophobicContact CD2-CB 4.08Å; P264-S266 PolarHBondContact O-N 3.05Å; P264-Y303 VanDerWaalsContact CD-OH 3.25Å; P264-Y303 WeakPolarHBondContact CD-OH 3.45Å
265	N	95.8	Very high	96.7	Very high	75 Å²	75	34.8 Å²	34.8	40%	0.401	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	23.3	179.9	-48.6	-37.7	0	0	0	114.3	F296	N265-F296 WeakPolarHBondContact O-CA 3.4Å; N265-F296 WeakPolarHBondContact O-CD1 3.33Å
266	S	97.8	Very high	96.8	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.007	17%	0.167	C	C	.	.	S	Bend	trans	-99.2	-4	175.3	64.4	0	0	0	0	113.8	F242 P248 P263 P264	F242-S266 WeakPolarHBondContact CE1-O 3.23Å; F242-S266 WeakPolarHBondContact CZ-OG 3.43Å; P248-S266 WeakPolarHBondContact CD-O 3.38Å; P248-S266 WeakPolarHBondContact CG-O 3.23Å; P263-S266 WeakPolarHBondContact O-CB 3.31Å; P263-S266 PolarHBondContact O-N 3.38Å; P263-S266 PolarHBondContact O-OG 2.92Å; P264-S266 PolarHBondContact O-N 3.05Å
267	F	98.7	Very high	96.9	Very high	8 Å²	8	31.1 Å²	31.1	4%	0.035	17%	0.165	C	C	.	.	S	Bend	trans	-149.2	162.5	-176.2	63.9	-86.9	0	0	0	110.7	P248 V250 R255 Y258 L259 V262 H269	P248-F267 HydrophobicContact CG-CB 3.86Å; P248-F267 WeakPolarHBondContact O-CA 3.09Å; V250-F267 HydrophobicContact CG1-CB 4.21Å; V250-F267 HydrophobicContact CG2-CD2 3.63Å; V250-F267 HydrophobicContact CG2-CE2 4.26Å; V250-F267 HydrophobicContact CG2-CG 4.41Å; R255-F267 HydrophobicContact CG-CE2 4.13Å; R255-F267 HydrophobicContact CG-CZ 4.34Å; Y258-F267 HydrophobicContact CG-CE2 4.09Å; Y258-F267 HydrophobicContact CG-CZ 4.13Å; L259-F267 HydrophobicContact CD2-CE1 4.21Å; L259-F267 HydrophobicContact CD2-CZ 4.12Å; V262-F267 HydrophobicContact CG2-CD1 3.59Å; V262-F267 HydrophobicContact CG2-CE1 3.55Å; F267-H269 HydrophobicContact CD2-CB 4.27Å; F267-H269 HydrophobicContact CE2-CB 4.04Å
268	I	98.8	Very high	96.9	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	123.9	171.5	-61.5	171.8	0	0	0	107.6	F220 I247 P248 V249 V250 F273 L279 Y282 L283 F296	F220-I268 HydrophobicContact CD1-CD1 4.32Å; F220-I268 HydrophobicContact CE1-CD1 4.01Å; I247-I268 HydrophobicContact CG2-CD1 3.83Å; I247-I268 HydrophobicContact CG2-CG1 4.01Å; P248-I268 PolarHBondContact O-N 3.17Å; V249-I268 CarbonylContact C-O 3.51Å; V249-I268 VanDerWaalsContact CA-O 3.3Å; V249-I268 WeakPolarHBondContact CA-O 3.33Å; V249-I268 HydrophobicContact CG1-CG2 4.47Å; V249-I268 HydrophobicContact CG2-CB 4.43Å; V250-I268 PolarHBondContact N-O 3.16Å; I268-F273 HydrophobicContact CG2-CE2 3.69Å; I268-F273 HydrophobicContact CG2-CZ 4.04Å; I268-L279 HydrophobicContact CG2-CD1 3.9Å; I268-Y282 HydrophobicContact CD1-CD1 4.21Å; I268-Y282 HydrophobicContact CD1-CE1 3.8Å; I268-Y282 HydrophobicContact CG1-CE1 4.07Å; I268-Y282 HydrophobicContact CG2-CD1 4.18Å; I268-Y282 HydrophobicContact CG2-CE1 4.14Å; I268-L283 HydrophobicContact CD1-CD2 3.61Å; I268-F296 HydrophobicContact CD1-CE1 4.14Å; I268-F296 HydrophobicContact CD1-CE2 4.5Å; I268-F296 HydrophobicContact CD1-CZ 3.9Å; I268-F296 HydrophobicContact CG1-CD1 4.39Å; I268-F296 HydrophobicContact CG1-CE1 3.49Å; I268-F296 VanDerWaalsContact CG1-CE1 3.49Å; I268-F296 HydrophobicContact CG1-CZ 3.66Å
269	H	98.6	Very high	97	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.9	-177.5	-157.8	-81.7	0	0	0	111.1	V250 A253 R255 Y258 F267 D271 D272 F273	V250-H269 HydrophobicContact CG2-CB 4.2Å; V250-H269 VanDerWaalsContact CG2-CD2 3.42Å; V250-H269 WeakPolarHBondContact CG2-CD2 3.1Å; A253-H269 PolarHBondContact O-NE2 2.83Å; A253-H269 VanDerWaalsContact O-NE2 3.07Å; R255-H269 HydrophobicContact CG-CB 4.14Å; Y258-H269 AromaticContact CD2-CD2 3.63Å; Y258-H269 AromaticContact CD2-NE2 3.62Å; Y258-H269 AromaticContact CE2-CD2 3.7Å; Y258-H269 AromaticContact CE2-NE2 3.41Å; Y258-H269 WeakPolarHBondContact CE2-NE2 3.48Å; F267-H269 HydrophobicContact CD2-CB 4.27Å; F267-H269 HydrophobicContact CE2-CB 4.04Å; H269-D271 IonicContact CE1-OD2 2.83Å; H269-D271 PolarHBondContact CE1-OD2 3.01Å; H269-D271 VanDerWaalsContact CE1-OD2 3.27Å; H269-D271 WeakPolarHBondContact ND1-CB 3.47Å; H269-D271 PolarHBondContact ND1-N 2.91Å; H269-D271 VanDerWaalsContact ND1-N 3.17Å; H269-D271 IonicContact ND1-OD2 3.07Å; H269-D271 PolarHBondContact O-N 3.41Å; H269-D272 WeakPolarHBondContact CB-OD2 3.33Å; H269-D272 WeakPolarHBondContact O-CB 3.28Å; H269-D272 PolarHBondContact O-N 3.25Å; H269-D272 VanDerWaalsContact O-N 3.08Å; H269-F273 WeakPolarHBondContact O-CD2 2.99Å; H269-F273 WeakPolarHBondContact O-CE2 3.01Å
270	V	97.6	Very high	97	Very high	3 Å²	3	33 Å²	33	2%	0.018	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-62.3	-28.5	179.7	-65.3	0	0	0	0	113.3	Y182 F224 V249 V250 M251 D272 F273 L279	Y182-V270 HydrophobicContact CE1-CG1 4.01Å; F224-V270 HydrophobicContact CE1-CG1 3.76Å; F224-V270 HydrophobicContact CZ-CG1 3.82Å; V249-V270 HydrophobicContact CG1-CG1 4.24Å; V250-V270 WeakPolarHBondContact O-CG1 3.41Å; V250-V270 WeakPolarHBondContact O-CG2 3.23Å; V250-V270 PolarHBondContact O-N 2.76Å; M251-V270 HydrophobicContact CB-CG1 4.13Å; M251-V270 HydrophobicContact CB-CG2 3.72Å; M251-V270 HydrophobicContact CE-CB 4.41Å; M251-V270 HydrophobicContact CE-CG1 4.24Å; M251-V270 HydrophobicContact CE-CG2 3.97Å; M251-V270 HydrophobicContact CG-CG2 3.95Å; V270-D272 PolarHBondContact O-N 3.28Å; V270-F273 PolarHBondContact O-N 2.84Å; V270-L279 HydrophobicContact CG1-CD2 3.99Å
271	D	95.1	Very high	97.2	Very high	84 Å²	84	36.5 Å²	36.5	45%	0.449	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-74.5	-7	177.6	-65.2	-26.2	0	0	0	114.1	H269 F273 K343	H269-D271 IonicContact CE1-OD2 2.83Å; H269-D271 PolarHBondContact CE1-OD2 3.01Å; H269-D271 VanDerWaalsContact CE1-OD2 3.27Å; H269-D271 WeakPolarHBondContact ND1-CB 3.47Å; H269-D271 PolarHBondContact ND1-N 2.91Å; H269-D271 VanDerWaalsContact ND1-N 3.17Å; H269-D271 IonicContact ND1-OD2 3.07Å; H269-D271 PolarHBondContact O-N 3.41Å; D271-F273 PolarHBondContact O-N 3.39Å; D271-K343 IonicContact OD1-NZ 3.7Å
272	D	96.5	Very high	97.3	Very high	85 Å²	85	40 Å²	40	46%	0.455	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-74.4	-3	171.1	-63.9	-27.3	0	0	0	111.9	R255 H269 V270	R255-D272 VanDerWaalsContact CD-OD1 3.26Å; R255-D272 WeakPolarHBondContact CD-OD1 3.34Å; R255-D272 IonicContact NE-OD1 3.12Å; R255-D272 PolarHBondContact NE-OD1 2.94Å; R255-D272 IonicContact NE-OD2 3.56Å; R255-D272 PolarHBondContact NE-OD2 3.06Å; H269-D272 WeakPolarHBondContact CB-OD2 3.33Å; H269-D272 WeakPolarHBondContact O-CB 3.28Å; H269-D272 PolarHBondContact O-N 3.25Å; H269-D272 VanDerWaalsContact O-N 3.08Å; V270-D272 PolarHBondContact O-N 3.28Å
273	F	96.7	Very high	97.4	Very high	24 Å²	24	40 Å²	40	11%	0.105	20%	0.204	C	C	.	.	S	Bend	trans	-130.1	143.4	-176.1	-50.5	-84.6	0	0	0	111.7	I268 H269 V270 D271 Q278 L279 Y282 K343	I268-F273 HydrophobicContact CG2-CE2 3.69Å; I268-F273 HydrophobicContact CG2-CZ 4.04Å; H269-F273 WeakPolarHBondContact O-CD2 2.99Å; H269-F273 WeakPolarHBondContact O-CE2 3.01Å; V270-F273 PolarHBondContact O-N 2.84Å; D271-F273 PolarHBondContact O-N 3.39Å; F273-Q278 HydrophobicContact CB-CB 4.19Å; F273-Q278 HydrophobicContact CD1-CB 4.2Å; F273-L279 HydrophobicContact CB-CB 4.25Å; F273-L279 HydrophobicContact CD1-CB 4.45Å; F273-L279 HydrophobicContact CD2-CB 3.92Å; F273-L279 HydrophobicContact CD2-CD1 3.68Å; F273-L279 HydrophobicContact CD2-CG 4.35Å; F273-L279 HydrophobicContact CE2-CB 4.47Å; F273-L279 HydrophobicContact CE2-CD1 3.46Å; F273-L279 VanDerWaalsContact CE2-CD1 3.46Å; F273-L279 HydrophobicContact CG-CB 3.92Å; F273-L279 HydrophobicContact CG-CD1 4.43Å; F273-L279 HydrophobicContact CZ-CD1 4.05Å; F273-Y282 VanDerWaalsContact CE1-CB 3.42Å; F273-Y282 AromaticContact CE1-CD1 3.94Å; F273-Y282 HydrophobicContact CE1-CD1 3.94Å; F273-Y282 HydrophobicContact CE1-CD2 4.29Å; F273-Y282 AromaticContact CE1-CG 3.63Å; F273-Y282 HydrophobicContact CE1-CG 3.63Å; F273-Y282 HydrophobicContact CE2-CD1 4.47Å; F273-Y282 AromaticContact CZ-CD1 3.42Å; F273-Y282 HydrophobicContact CZ-CD1 3.42Å; F273-Y282 VanDerWaalsContact CZ-CD1 3.42Å; F273-Y282 HydrophobicContact CZ-CD2 4.47Å; F273-Y282 HydrophobicContact CZ-CE1 4.09Å; F273-Y282 AromaticContact CZ-CG 3.64Å; F273-Y282 HydrophobicContact CZ-CG 3.64Å; F273-K343 PolarHBondContact O-NZ 2.63Å
274	D	94.8	Very high	97.5	Very high	123 Å²	123	43.9 Å²	43.9	66%	0.658	22%	0.221	S	C	*	.	S	Bend	trans	-73.2	-35.3	177.8	-64.6	-35.8	0	0	0	111.4
275	T	96	Very high	97.6	Very high	54 Å²	54	46.7 Å²	46.7	33%	0.331	23%	0.23	S	C	.	.	S	Bend	trans	-135.3	156.3	-175.8	71.2	0	0	0	0	112.9	Q277 Q278 L279	T275-Q277 PolarHBondContact O-N 2.91Å; T275-Q277 PolarHBondContact OG1-N 2.83Å; T275-Q278 PolarHBondContact O-N 3.04Å; T275-Q278 PolarHBondContact OG1-N 3.38Å; T275-L279 PolarHBondContact O-N 2.79Å
276	P	97	Very high	97.8	Very high	4 Å²	4	43.1 Å²	43.1	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-57.3	-29.7	170.7	-24.7	34.2	0	0	0	113.6	Y182 E185 L186 L279 A280 F345	Y182-P276 HydrophobicContact CD2-CG 4.06Å; Y182-P276 HydrophobicContact CE1-CB 4.25Å; Y182-P276 HydrophobicContact CE1-CG 4.29Å; Y182-P276 HydrophobicContact CE2-CG 3.75Å; Y182-P276 HydrophobicContact CG-CG 4.46Å; E185-P276 HydrophobicContact CB-CB 4.5Å; E185-P276 HydrophobicContact CB-CG 4.25Å; E185-P276 HydrophobicContact CG-CB 4.12Å; E185-P276 HydrophobicContact CG-CG 3.84Å; L186-P276 HydrophobicContact CB-CB 4.22Å; L186-P276 HydrophobicContact CD1-CB 4.37Å; L186-P276 VanDerWaalsContact CD1-O 3.25Å; L186-P276 WeakPolarHBondContact CD1-O 3.34Å; P276-L279 PolarHBondContact O-N 2.76Å; P276-A280 WeakPolarHBondContact O-CB 3.39Å; P276-A280 PolarHBondContact O-N 2.84Å; P276-F345 HydrophobicContact CG-CD2 4.46Å; P276-F345 HydrophobicContact CG-CG 4.28Å
277	Q	97.8	Very high	97.8	Very high	82 Å²	82	43.5 Å²	43.5	38%	0.383	21%	0.214	S	C	.	.	H	α-helix	trans	-64.9	-46.7	175.3	-178.6	-179	-8.4	0	0	111.8	Y189 T275 L279 A280 E281	Y189-Q277 HydrophobicContact CD1-CB 3.91Å; Y189-Q277 HydrophobicContact CD1-CG 3.67Å; Y189-Q277 HydrophobicContact CD2-CB 3.92Å; Y189-Q277 HydrophobicContact CE1-CB 3.9Å; Y189-Q277 HydrophobicContact CE1-CG 3.9Å; Y189-Q277 HydrophobicContact CE2-CB 3.94Å; Y189-Q277 HydrophobicContact CG-CB 3.92Å; Y189-Q277 HydrophobicContact CG-CG 4.02Å; T275-Q277 PolarHBondContact O-N 2.91Å; T275-Q277 PolarHBondContact OG1-N 2.83Å; Q277-L279 VanDerWaalsContact C-N 3.29Å; Q277-L279 PolarHBondContact O-N 3.08Å; Q277-A280 WeakPolarHBondContact O-CB 3.16Å; Q277-A280 PolarHBondContact O-N 2.67Å; Q277-A280 VanDerWaalsContact O-N 3.09Å; Q277-E281 WeakPolarHBondContact CG-OE1 3.27Å; Q277-E281 PolarHBondContact NE2-OE1 2.85Å; Q277-E281 WeakPolarHBondContact O-CG 3.42Å; Q277-E281 PolarHBondContact O-N 2.93Å
278	Q	98.2	Very high	97.7	Very high	75 Å²	75	50.6 Å²	50.6	35%	0.35	25%	0.248	S	C	.	.	H	α-helix	trans	-62.4	-38.8	177.1	-72.7	177.9	0.4	0	0	111.6	F273 T275 E281 Y282	F273-Q278 HydrophobicContact CB-CB 4.19Å; F273-Q278 HydrophobicContact CD1-CB 4.2Å; T275-Q278 PolarHBondContact O-N 3.04Å; T275-Q278 PolarHBondContact OG1-N 3.38Å; Q278-E281 PolarHBondContact O-N 2.71Å; Q278-Y282 PolarHBondContact O-N 3.12Å
279	L	98.5	Very high	97.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-48.7	171	172.5	64.3	0	0	0	110.6	Y182 L186 V249 I268 V270 F273 T275 P276 Q277 E281 Y282 L283	Y182-L279 HydrophobicContact CE1-CD2 3.85Å; Y182-L279 WeakPolarHBondContact OH-CD2 3.22Å; L186-L279 HydrophobicContact CD1-CD2 4.12Å; L186-L279 HydrophobicContact CD1-CG 4.29Å; L186-L279 HydrophobicContact CD2-CD2 4.24Å; V249-L279 HydrophobicContact CG1-CD1 4.01Å; V249-L279 HydrophobicContact CG1-CD2 4.03Å; I268-L279 HydrophobicContact CG2-CD1 3.9Å; V270-L279 HydrophobicContact CG1-CD2 3.99Å; F273-L279 HydrophobicContact CB-CB 4.25Å; F273-L279 HydrophobicContact CD1-CB 4.45Å; F273-L279 HydrophobicContact CD2-CB 3.92Å; F273-L279 HydrophobicContact CD2-CD1 3.68Å; F273-L279 HydrophobicContact CD2-CG 4.35Å; F273-L279 HydrophobicContact CE2-CB 4.47Å; F273-L279 HydrophobicContact CE2-CD1 3.46Å; F273-L279 VanDerWaalsContact CE2-CD1 3.46Å; F273-L279 HydrophobicContact CG-CB 3.92Å; F273-L279 HydrophobicContact CG-CD1 4.43Å; F273-L279 HydrophobicContact CZ-CD1 4.05Å; T275-L279 PolarHBondContact O-N 2.79Å; P276-L279 PolarHBondContact O-N 2.76Å; Q277-L279 VanDerWaalsContact C-N 3.29Å; Q277-L279 PolarHBondContact O-N 3.08Å; L279-E281 VanDerWaalsContact C-N 3.33Å; L279-E281 PolarHBondContact O-N 3.07Å; L279-Y282 PolarHBondContact O-N 3.22Å; L279-L283 HydrophobicContact CD1-CD1 4.24Å; L279-L283 HydrophobicContact CD1-CD2 4.17Å; L279-L283 HydrophobicContact CD1-CG 3.99Å; L279-L283 HydrophobicContact CG-CD1 4.16Å; L279-L283 HydrophobicContact CG-CG 4.28Å; L279-L283 VanDerWaalsContact O-CG 3.3Å; L279-L283 WeakPolarHBondContact O-CG 3.26Å; L279-L283 PolarHBondContact O-N 2.82Å
280	A	98.8	Very high	97.5	Very high	1 Å²	1	58 Å²	58	1%	0.008	28%	0.284	C	S	.	.	H	α-helix	trans	-58.6	-41.8	178.3	0	0	0	0	0	113	L186 Y189 I190 P276 Q277 L283 K284	L186-A280 HydrophobicContact CD1-CB 3.89Å; Y189-A280 VanDerWaalsContact CB-CB 3.45Å; I190-A280 HydrophobicContact CB-CB 3.92Å; I190-A280 HydrophobicContact CG2-CB 3.79Å; P276-A280 WeakPolarHBondContact O-CB 3.39Å; P276-A280 PolarHBondContact O-N 2.84Å; Q277-A280 WeakPolarHBondContact O-CB 3.16Å; Q277-A280 PolarHBondContact O-N 2.67Å; Q277-A280 VanDerWaalsContact O-N 3.09Å; A280-L283 PolarHBondContact O-N 2.89Å; A280-K284 WeakPolarHBondContact O-CG 2.96Å; A280-K284 PolarHBondContact O-N 2.72Å
281	E	98.8	Very high	97.4	Very high	101 Å²	101	62.2 Å²	62.2	47%	0.472	31%	0.313	S	S	.	.	H	α-helix	trans	-61.1	-44.5	175	-72	167.9	-170.8	0	0	111.3	Q277 Q278 L279 K284 H285	Q277-E281 WeakPolarHBondContact CG-OE1 3.27Å; Q277-E281 PolarHBondContact NE2-OE1 2.85Å; Q277-E281 WeakPolarHBondContact O-CG 3.42Å; Q277-E281 PolarHBondContact O-N 2.93Å; Q278-E281 PolarHBondContact O-N 2.71Å; L279-E281 VanDerWaalsContact C-N 3.33Å; L279-E281 PolarHBondContact O-N 3.07Å; E281-K284 PolarHBondContact O-N 3.14Å; E281-H285 PolarHBondContact O-N 2.81Å
282	Y	98.8	Very high	97.5	Very high	74 Å²	74	59.7 Å²	59.7	29%	0.29	30%	0.3	S	S	.	.	H	α-helix	trans	-64.8	-42.8	175.9	-176.3	-104.7	0	0	0	112.7	I268 F273 Q278 L279 K284 H285 V286 F296	I268-Y282 HydrophobicContact CD1-CD1 4.21Å; I268-Y282 HydrophobicContact CD1-CE1 3.8Å; I268-Y282 HydrophobicContact CG1-CE1 4.07Å; I268-Y282 HydrophobicContact CG2-CD1 4.18Å; I268-Y282 HydrophobicContact CG2-CE1 4.14Å; F273-Y282 VanDerWaalsContact CE1-CB 3.42Å; F273-Y282 AromaticContact CE1-CD1 3.94Å; F273-Y282 HydrophobicContact CE1-CD1 3.94Å; F273-Y282 HydrophobicContact CE1-CD2 4.29Å; F273-Y282 AromaticContact CE1-CG 3.63Å; F273-Y282 HydrophobicContact CE1-CG 3.63Å; F273-Y282 HydrophobicContact CE2-CD1 4.47Å; F273-Y282 AromaticContact CZ-CD1 3.42Å; F273-Y282 HydrophobicContact CZ-CD1 3.42Å; F273-Y282 VanDerWaalsContact CZ-CD1 3.42Å; F273-Y282 HydrophobicContact CZ-CD2 4.47Å; F273-Y282 HydrophobicContact CZ-CE1 4.09Å; F273-Y282 AromaticContact CZ-CG 3.64Å; F273-Y282 HydrophobicContact CZ-CG 3.64Å; Q278-Y282 PolarHBondContact O-N 3.12Å; L279-Y282 PolarHBondContact O-N 3.22Å; Y282-K284 VanDerWaalsContact C-N 3.31Å; Y282-K284 PolarHBondContact O-N 3.25Å; Y282-H285 WeakPolarHBondContact O-CB 3.27Å; Y282-H285 PolarHBondContact O-N 2.78Å; Y282-V286 HydrophobicContact CD1-CG2 4Å; Y282-V286 HydrophobicContact CD2-CG2 4.49Å; Y282-V286 HydrophobicContact CE1-CG2 3.59Å; Y282-V286 HydrophobicContact CE2-CG2 4.12Å; Y282-V286 HydrophobicContact CG-CG2 4.45Å; Y282-V286 WeakPolarHBondContact O-CG2 3.39Å; Y282-V286 PolarHBondContact O-N 3.3Å; Y282-F296 HydrophobicContact CE1-CZ 4.36Å
283	L	98.8	Very high	97.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.2	-39.5	176.6	-66	-177.5	0	0	0	111.8	V166 I190 F220 V249 I268 L279 A280 A287	V166-L283 HydrophobicContact CG2-CD1 4.03Å; I190-L283 HydrophobicContact CD1-CB 3.72Å; I190-L283 HydrophobicContact CD1-CD1 4.23Å; F220-L283 HydrophobicContact CD1-CD2 3.77Å; F220-L283 HydrophobicContact CD2-CB 4.35Å; F220-L283 HydrophobicContact CD2-CD2 4.35Å; F220-L283 HydrophobicContact CE1-CD2 3.78Å; F220-L283 HydrophobicContact CE2-CB 3.97Å; F220-L283 HydrophobicContact CE2-CD2 4.33Å; F220-L283 VanDerWaalsContact CE2-O 3.3Å; F220-L283 WeakPolarHBondContact CE2-O 3.46Å; F220-L283 HydrophobicContact CG-CD2 4.09Å; F220-L283 HydrophobicContact CZ-CB 4.21Å; F220-L283 HydrophobicContact CZ-CD2 4.07Å; F220-L283 VanDerWaalsContact CZ-O 3.23Å; F220-L283 WeakPolarHBondContact CZ-O 3.24Å; V249-L283 HydrophobicContact CG2-CD1 4.21Å; V249-L283 HydrophobicContact CG2-CD2 3.71Å; I268-L283 HydrophobicContact CD1-CD2 3.61Å; L279-L283 HydrophobicContact CD1-CD1 4.24Å; L279-L283 HydrophobicContact CD1-CD2 4.17Å; L279-L283 HydrophobicContact CD1-CG 3.99Å; L279-L283 HydrophobicContact CG-CD1 4.16Å; L279-L283 HydrophobicContact CG-CG 4.28Å; L279-L283 VanDerWaalsContact O-CG 3.3Å; L279-L283 WeakPolarHBondContact O-CG 3.26Å; L279-L283 PolarHBondContact O-N 2.82Å; A280-L283 PolarHBondContact O-N 2.89Å; L283-A287 VanDerWaalsContact O-CB 3.28Å; L283-A287 WeakPolarHBondContact O-CB 3.43Å; L283-A287 PolarHBondContact O-N 3.1Å
284	K	98.7	Very high	97.4	Very high	83 Å²	83	56 Å²	56	36%	0.361	28%	0.282	S	S	.	.	H	α-helix	trans	-63.4	-46.1	173.2	-70.7	172.3	-173.8	175.3	0	111.4	Y189 I190 A280 E281 Y282 V286 A287 E288	Y189-K284 WeakPolarHBondContact O-CE 3.41Å; Y189-K284 PolarHBondContact O-NZ 3.27Å; I190-K284 HydrophobicContact CD1-CG 4.22Å; A280-K284 WeakPolarHBondContact O-CG 2.96Å; A280-K284 PolarHBondContact O-N 2.72Å; E281-K284 PolarHBondContact O-N 3.14Å; Y282-K284 VanDerWaalsContact C-N 3.31Å; Y282-K284 PolarHBondContact O-N 3.25Å; K284-V286 PolarHBondContact O-N 3.29Å; K284-A287 WeakPolarHBondContact O-CB 3.44Å; K284-A287 PolarHBondContact O-N 2.75Å; K284-E288 WeakPolarHBondContact O-CG 3.25Å; K284-E288 PolarHBondContact O-N 2.75Å
285	H	98.5	Very high	97.4	Very high	99 Å²	99	50.8 Å²	50.8	46%	0.458	25%	0.254	S	S	.	.	H	α-helix	trans	-58.2	-45.6	176.9	-179	61.3	0	0	0	112.6	E281 Y282 A287 E288 N289	E281-H285 PolarHBondContact O-N 2.81Å; Y282-H285 WeakPolarHBondContact O-CB 3.27Å; Y282-H285 PolarHBondContact O-N 2.78Å; H285-A287 VanDerWaalsContact C-N 3.31Å; H285-A287 PolarHBondContact O-N 2.76Å; H285-E288 PolarHBondContact O-N 3.44Å; H285-N289 WeakPolarHBondContact O-CB 3.04Å; H285-N289 PolarHBondContact O-N 3.39Å; H285-N289 VanDerWaalsContact O-N 3.16Å
286	V	98.3	Very high	97.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.5	-37.7	174.7	175.4	0	0	0	0	111.1	F220 I247 Y282 K284 E288 L292 Y293 F296	F220-V286 HydrophobicContact CE1-CB 4.26Å; F220-V286 HydrophobicContact CE1-CG1 3.83Å; F220-V286 HydrophobicContact CZ-CB 3.92Å; F220-V286 HydrophobicContact CZ-CG1 3.81Å; I247-V286 HydrophobicContact CD1-CG1 4.04Å; Y282-V286 HydrophobicContact CD1-CG2 4Å; Y282-V286 HydrophobicContact CD2-CG2 4.49Å; Y282-V286 HydrophobicContact CE1-CG2 3.59Å; Y282-V286 HydrophobicContact CE2-CG2 4.12Å; Y282-V286 HydrophobicContact CG-CG2 4.45Å; Y282-V286 WeakPolarHBondContact O-CG2 3.39Å; Y282-V286 PolarHBondContact O-N 3.3Å; K284-V286 PolarHBondContact O-N 3.29Å; V286-E288 VanDerWaalsContact C-N 3.31Å; V286-E288 PolarHBondContact O-N 3.43Å; V286-L292 HydrophobicContact CB-CD2 4.41Å; V286-L292 HydrophobicContact CG2-CD2 3.73Å; V286-L292 HydrophobicContact CG2-CG 4.06Å; V286-Y293 HydrophobicContact CG1-CD2 4.1Å; V286-F296 HydrophobicContact CG1-CD2 4.18Å; V286-F296 HydrophobicContact CG1-CE2 3.83Å; V286-F296 HydrophobicContact CG2-CE2 4.06Å
287	A	97.8	Very high	97.4	Very high	10 Å²	10	48.8 Å²	48.8	8%	0.083	24%	0.241	C	C	.	.	H	α-helix	trans	-70.2	-24.1	-180	0	0	0	0	0	114.7	F159 L165 K219 F220 L283 K284 H285	F159-A287 WeakPolarHBondContact CE2-O 3.29Å; F159-A287 WeakPolarHBondContact CZ-O 3.24Å; L165-A287 HydrophobicContact CD2-CB 3.53Å; K219-A287 HydrophobicContact CD-CB 3.65Å; F220-A287 HydrophobicContact CE2-CB 4.02Å; F220-A287 HydrophobicContact CZ-CB 4.31Å; L283-A287 VanDerWaalsContact O-CB 3.28Å; L283-A287 WeakPolarHBondContact O-CB 3.43Å; L283-A287 PolarHBondContact O-N 3.1Å; K284-A287 WeakPolarHBondContact O-CB 3.44Å; K284-A287 PolarHBondContact O-N 2.75Å; H285-A287 VanDerWaalsContact C-N 3.31Å; H285-A287 PolarHBondContact O-N 2.76Å
288	E	97.2	Very high	97.1	Very high	156 Å²	156	50.4 Å²	50.4	73%	0.729	25%	0.247	S	C	*	.	H	α-helix	trans	-94	-20.2	180	-70.2	168.8	-175.7	0	0	112.6	K284 H285 V286	K284-E288 WeakPolarHBondContact O-CG 3.25Å; K284-E288 PolarHBondContact O-N 2.75Å; H285-E288 PolarHBondContact O-N 3.44Å; V286-E288 VanDerWaalsContact C-N 3.31Å; V286-E288 PolarHBondContact O-N 3.43Å
289	N	97.2	Very high	96.9	Very high	63 Å²	63	47.6 Å²	47.6	34%	0.337	23%	0.233	S	C	.	.			trans	-106.2	101.5	-179.4	-176	-25.3	0	0	0	111.4	H285 S291 L292 Y293	H285-N289 WeakPolarHBondContact O-CB 3.04Å; H285-N289 PolarHBondContact O-N 3.39Å; H285-N289 VanDerWaalsContact O-N 3.16Å; N289-S291 VanDerWaalsContact C-N 3.35Å; N289-S291 PolarHBondContact O-N 3.46Å; N289-S291 PolarHBondContact OD1-N 3.19Å; N289-S291 VanDerWaalsContact OD1-N 3.13Å; N289-L292 HydrophobicContact CB-CB 3.89Å; N289-L292 PolarHBondContact O-N 3.34Å; N289-L292 PolarHBondContact OD1-N 2.8Å; N289-Y293 WeakPolarHBondContact O-CB 3.2Å; N289-Y293 PolarHBondContact O-N 3.49Å
290	Q	95.7	Very high	96.5	Very high	98 Å²	98	50.7 Å²	50.7	46%	0.458	24%	0.244	S	C	.	.	H	α-helix	trans	-56.8	-44.1	-180	178.1	171	-10.7	0	0	113.3	S157 F159 L292 Y293 D294	S157-Q290 PolarHBondContact OG-NE2 2.81Å; F159-Q290 HydrophobicContact CB-CB 4.41Å; F159-Q290 HydrophobicContact CB-CG 3.78Å; F159-Q290 HydrophobicContact CD1-CB 3.76Å; F159-Q290 HydrophobicContact CD1-CG 3.86Å; F159-Q290 HydrophobicContact CD2-CB 4Å; F159-Q290 HydrophobicContact CD2-CG 4.27Å; F159-Q290 HydrophobicContact CE1-CB 3.92Å; F159-Q290 HydrophobicContact CE2-CB 4.12Å; F159-Q290 HydrophobicContact CG-CB 3.79Å; F159-Q290 HydrophobicContact CG-CG 3.71Å; F159-Q290 HydrophobicContact CZ-CB 4.08Å; Q290-L292 VanDerWaalsContact C-N 3.33Å; Q290-L292 PolarHBondContact O-N 3.49Å; Q290-Y293 PolarHBondContact O-N 2.77Å; Q290-D294 WeakPolarHBondContact CG-OD2 3.23Å; Q290-D294 PolarHBondContact NE2-OD2 2.03Å; Q290-D294 WeakPolarHBondContact O-CB 3.49Å; Q290-D294 PolarHBondContact O-N 2.88Å
291	S	95.6	Very high	96.1	Very high	90 Å²	90	51 Å²	51	63%	0.629	25%	0.247	S	C	*	.	H	α-helix	trans	-63.2	-41.8	-179.1	-177	0	0	0	0	111.5	N289 S295	N289-S291 VanDerWaalsContact C-N 3.35Å; N289-S291 PolarHBondContact O-N 3.46Å; N289-S291 PolarHBondContact OD1-N 3.19Å; N289-S291 VanDerWaalsContact OD1-N 3.13Å; S291-S295 WeakPolarHBondContact O-CB 2.92Å; S291-S295 PolarHBondContact O-N 2.9Å; S291-S295 VanDerWaalsContact O-N 3.08Å
292	L	96.8	Very high	95.7	Very high	32 Å²	32	50.4 Å²	50.4	17%	0.168	24%	0.244	C	C	.	.	H	α-helix	trans	-66.8	-45.5	175.5	-179.7	56.7	0	0	0	111.3	V286 N289 Q290 S295 F296	V286-L292 HydrophobicContact CB-CD2 4.41Å; V286-L292 HydrophobicContact CG2-CD2 3.73Å; V286-L292 HydrophobicContact CG2-CG 4.06Å; N289-L292 HydrophobicContact CB-CB 3.89Å; N289-L292 PolarHBondContact O-N 3.34Å; N289-L292 PolarHBondContact OD1-N 2.8Å; Q290-L292 VanDerWaalsContact C-N 3.33Å; Q290-L292 PolarHBondContact O-N 3.49Å; L292-S295 VanDerWaalsContact O-CB 3.31Å; L292-S295 WeakPolarHBondContact O-CB 3.3Å; L292-S295 PolarHBondContact O-N 2.95Å; L292-S295 PolarHBondContact O-OG 3.45Å; L292-F296 HydrophobicContact CD1-CE2 4.29Å; L292-F296 HydrophobicContact CG-CE2 4.44Å; L292-F296 VanDerWaalsContact O-CD2 3.31Å; L292-F296 WeakPolarHBondContact O-CD2 3.39Å
293	Y	97.4	Very high	95.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-57.5	-51.1	176.4	-175.5	-93.5	0	0	0	112.3	W158 F159 K162 K219 I247 V286 N289 Q290 S295 F296 F297	W158-Y293 HydrophobicContact CB-CE1 4.03Å; F159-Y293 HydrophobicContact CB-CD1 3.81Å; F159-Y293 HydrophobicContact CB-CE1 4.31Å; F159-Y293 AromaticContact CD2-CD1 3.78Å; F159-Y293 HydrophobicContact CD2-CD1 3.78Å; F159-Y293 HydrophobicContact CD2-CD2 4.34Å; F159-Y293 AromaticContact CD2-CG 3.63Å; F159-Y293 HydrophobicContact CD2-CG 3.63Å; F159-Y293 HydrophobicContact CE2-CG 4.41Å; F159-Y293 HydrophobicContact CG-CD1 4.32Å; K162-Y293 WeakPolarHBondContact CD-OH 3.38Å; K162-Y293 WeakPolarHBondContact CE-OH 3.42Å; K219-Y293 HydrophobicContact CB-CE2 3.74Å; K219-Y293 HydrophobicContact CD-CE2 4.27Å; K219-Y293 HydrophobicContact CG-CE2 3.93Å; K219-Y293 PolarHBondContact O-OH 3.32Å; I247-Y293 HydrophobicContact CD1-CD2 3.4Å; I247-Y293 VanDerWaalsContact CD1-CD2 3.4Å; I247-Y293 HydrophobicContact CD1-CE2 3.32Å; I247-Y293 HydrophobicContact CD1-CG 4.12Å; I247-Y293 HydrophobicContact CG1-CD2 4.44Å; I247-Y293 HydrophobicContact CG1-CE2 3.91Å; V286-Y293 HydrophobicContact CG1-CD2 4.1Å; N289-Y293 WeakPolarHBondContact O-CB 3.2Å; N289-Y293 PolarHBondContact O-N 3.49Å; Q290-Y293 PolarHBondContact O-N 2.77Å; Y293-S295 PolarHBondContact O-N 3.47Å; Y293-F296 WeakPolarHBondContact O-CB 3.07Å; Y293-F296 PolarHBondContact O-N 3.25Å; Y293-F296 VanDerWaalsContact O-N 3.14Å; Y293-F297 HydrophobicContact CD1-CE2 4.03Å; Y293-F297 HydrophobicContact CE1-CD2 4.32Å; Y293-F297 AromaticContact CE1-CE2 3.48Å; Y293-F297 HydrophobicContact CE1-CE2 3.48Å; Y293-F297 VanDerWaalsContact CE1-CE2 3.48Å; Y293-F297 HydrophobicContact CE1-CZ 4.26Å; Y293-F297 HydrophobicContact CE2-CE2 4.48Å; Y293-F297 AromaticContact CZ-CE2 3.72Å
294	D	94.9	Very high	95.2	Very high	32 Å²	32	53.2 Å²	53.2	17%	0.171	26%	0.258	C	S	.	.	H	α-helix	trans	-65.2	-25.4	-179.2	-71.3	-22.4	0	0	0	111.5	S157 Q290 F296 F297	S157-D294 VanDerWaalsContact CB-OD2 3.3Å; S157-D294 WeakPolarHBondContact CB-OD2 3.25Å; S157-D294 PolarHBondContact OG-OD1 3Å; S157-D294 PolarHBondContact OG-OD2 2.85Å; Q290-D294 WeakPolarHBondContact CG-OD2 3.23Å; Q290-D294 PolarHBondContact NE2-OD2 2.03Å; Q290-D294 WeakPolarHBondContact O-CB 3.49Å; Q290-D294 PolarHBondContact O-N 2.88Å; D294-F296 PolarHBondContact O-N 2.94Å; D294-F297 PolarHBondContact O-N 3.33Å; D294-F297 VanDerWaalsContact O-N 3.08Å
295	S	95	Very high	95	Very high	12 Å²	12	52.5 Å²	52.5	8%	0.084	27%	0.267	C	S	.	.	H	α-helix	trans	-59.8	-30	175.2	86.1	0	0	0	0	113.5	S291 L292 Y293 F297 K298	S291-S295 WeakPolarHBondContact O-CB 2.92Å; S291-S295 PolarHBondContact O-N 2.9Å; S291-S295 VanDerWaalsContact O-N 3.08Å; L292-S295 VanDerWaalsContact O-CB 3.31Å; L292-S295 WeakPolarHBondContact O-CB 3.3Å; L292-S295 PolarHBondContact O-N 2.95Å; L292-S295 PolarHBondContact O-OG 3.45Å; Y293-S295 PolarHBondContact O-N 3.47Å; S295-F297 PolarHBondContact O-N 2.72Å; S295-K298 PolarHBondContact O-N 3.4Å
296	F	97.1	Very high	94.8	Very high	13 Å²	13	48.8 Å²	48.8	6%	0.057	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-8	177.3	-75.2	-86.8	0	0	0	114.3	I247 N265 I268 Y282 V286 L292 Y293 D294 W299	I247-F296 HydrophobicContact CD1-CB 3.71Å; I247-F296 HydrophobicContact CD1-CD2 3.67Å; I247-F296 HydrophobicContact CD1-CE2 4.45Å; I247-F296 HydrophobicContact CD1-CG 3.76Å; I247-F296 HydrophobicContact CG1-CB 3.84Å; I247-F296 HydrophobicContact CG1-CG 4.23Å; I247-F296 HydrophobicContact CG2-CB 4.41Å; I247-F296 HydrophobicContact CG2-CD1 3.97Å; I247-F296 HydrophobicContact CG2-CE1 4.41Å; I247-F296 HydrophobicContact CG2-CG 4.13Å; N265-F296 WeakPolarHBondContact O-CA 3.4Å; N265-F296 WeakPolarHBondContact O-CD1 3.33Å; I268-F296 HydrophobicContact CD1-CE1 4.14Å; I268-F296 HydrophobicContact CD1-CE2 4.5Å; I268-F296 HydrophobicContact CD1-CZ 3.9Å; I268-F296 HydrophobicContact CG1-CD1 4.39Å; I268-F296 HydrophobicContact CG1-CE1 3.49Å; I268-F296 VanDerWaalsContact CG1-CE1 3.49Å; I268-F296 HydrophobicContact CG1-CZ 3.66Å; Y282-F296 HydrophobicContact CE1-CZ 4.36Å; V286-F296 HydrophobicContact CG1-CD2 4.18Å; V286-F296 HydrophobicContact CG1-CE2 3.83Å; V286-F296 HydrophobicContact CG2-CE2 4.06Å; L292-F296 HydrophobicContact CD1-CE2 4.29Å; L292-F296 HydrophobicContact CG-CE2 4.44Å; L292-F296 VanDerWaalsContact O-CD2 3.31Å; L292-F296 WeakPolarHBondContact O-CD2 3.39Å; Y293-F296 WeakPolarHBondContact O-CB 3.07Å; Y293-F296 PolarHBondContact O-N 3.25Å; Y293-F296 VanDerWaalsContact O-N 3.14Å; D294-F296 PolarHBondContact O-N 2.94Å; F296-W299 PolarHBondContact O-NE1 3.47Å
297	F	94.9	Very high	94.6	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.018	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-6.5	179	-61	-77.9	0	0	0	113.4	Y154 W158 I247 Y293 D294 S295 W299 R300	Y154-F297 HydrophobicContact CD1-CB 4.42Å; Y154-F297 HydrophobicContact CE1-CB 3.81Å; W158-F297 HydrophobicContact CB-CE2 4.41Å; W158-F297 AromaticContact CD1-CG 3.91Å; I247-F297 HydrophobicContact CD1-CE2 4.16Å; I247-F297 HydrophobicContact CG1-CE2 3.7Å; I247-F297 HydrophobicContact CG1-CZ 3.62Å; Y293-F297 HydrophobicContact CD1-CE2 4.03Å; Y293-F297 HydrophobicContact CE1-CD2 4.32Å; Y293-F297 AromaticContact CE1-CE2 3.48Å; Y293-F297 HydrophobicContact CE1-CE2 3.48Å; Y293-F297 VanDerWaalsContact CE1-CE2 3.48Å; Y293-F297 HydrophobicContact CE1-CZ 4.26Å; Y293-F297 HydrophobicContact CE2-CE2 4.48Å; Y293-F297 AromaticContact CZ-CE2 3.72Å; D294-F297 PolarHBondContact O-N 3.33Å; D294-F297 VanDerWaalsContact O-N 3.08Å; S295-F297 PolarHBondContact O-N 2.72Å; F297-W299 PolarHBondContact O-N 3.4Å; F297-W299 VanDerWaalsContact O-N 3.11Å; F297-R300 WeakPolarHBondContact O-CB 3.37Å; F297-R300 WeakPolarHBondContact O-CG 3.25Å; F297-R300 PolarHBondContact O-N 2.87Å
298	K	92.5	Very high	94.4	Very high	116 Å²	116	55.2 Å²	55.2	50%	0.504	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-55.1	-32.5	179.4	-72.3	-178.3	-179.6	-176.6	0	112.9	S295 R300 S301 H302	S295-K298 PolarHBondContact O-N 3.4Å; K298-R300 PolarHBondContact O-N 2.92Å; K298-S301 PolarHBondContact O-N 3.13Å; K298-H302 PolarHBondContact O-CD2 2.92Å
299	W	92.8	Very high	94.3	Very high	15 Å²	15	51.3 Å²	51.3	6%	0.057	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-55.2	-25.9	178.5	65.5	-95.7	0	0	0	113.4	Y143 F242 P263 F296 F297 S301 H302 Y303	Y143-W299 HydrophobicContact CD1-CZ3 4.02Å; Y143-W299 HydrophobicContact CE1-CH2 4.15Å; Y143-W299 AromaticContact CE1-CZ3 3.57Å; Y143-W299 HydrophobicContact CE1-CZ3 3.57Å; F242-W299 HydrophobicContact CB-CH2 4.37Å; F242-W299 HydrophobicContact CD1-CZ2 4.01Å; F242-W299 AromaticContact CD2-CH2 3.95Å; F242-W299 HydrophobicContact CD2-CH2 3.95Å; F242-W299 HydrophobicContact CD2-CZ2 4.15Å; F242-W299 HydrophobicContact CE1-CZ2 4.18Å; F242-W299 HydrophobicContact CE2-CH2 4.33Å; F242-W299 HydrophobicContact CE2-CZ2 4.33Å; F242-W299 HydrophobicContact CG-CH2 4.06Å; F242-W299 AromaticContact CG-CZ2 3.99Å; F242-W299 HydrophobicContact CG-CZ2 3.99Å; F242-W299 HydrophobicContact CZ-CZ2 4.36Å; P263-W299 HydrophobicContact CB-CB 3.49Å; P263-W299 VanDerWaalsContact CB-CB 3.49Å; P263-W299 HydrophobicContact CB-CD2 4.35Å; P263-W299 HydrophobicContact CB-CG 3.96Å; P263-W299 HydrophobicContact CG-CB 3.97Å; P263-W299 HydrophobicContact CG-CD2 3.96Å; P263-W299 HydrophobicContact CG-CE3 3.72Å; P263-W299 HydrophobicContact CG-CG 4.1Å; P263-W299 HydrophobicContact CG-CZ3 4.46Å; F296-W299 PolarHBondContact O-NE1 3.47Å; F297-W299 PolarHBondContact O-N 3.4Å; F297-W299 VanDerWaalsContact O-N 3.11Å; W299-S301 PolarHBondContact O-N 3.34Å; W299-H302 CarbonylContact O-C 3.57Å; W299-H302 PolarHBondContact O-N 2.76Å; W299-Y303 HydrophobicContact CB-CD2 3.97Å; W299-Y303 PolarHBondContact O-N 3.28Å
300	R	91.6	Very high	94.2	Very high	65 Å²	65	49.3 Å²	49.3	25%	0.245	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-62.3	-24.8	-179.1	-67.2	-177.5	178.1	-77.7	-1.1	113.8	Y154 F242 N245 F297 K298	Y154-R300 HydrophobicContact CD2-CB 4.37Å; Y154-R300 HydrophobicContact CE2-CB 3.99Å; Y154-R300 WeakPolarHBondContact OH-CD 3.03Å; F242-R300 PolarHBondContact O-NH1 2.66Å; F242-R300 PolarHBondContact O-NH2 3.25Å; N245-R300 PolarHBondContact OD1-NH2 2.91Å; N245-R300 VanDerWaalsContact OD1-NH2 3.12Å; F297-R300 WeakPolarHBondContact O-CB 3.37Å; F297-R300 WeakPolarHBondContact O-CG 3.25Å; F297-R300 PolarHBondContact O-N 2.87Å; K298-R300 PolarHBondContact O-N 2.92Å
301	S	89.4	Confident	94.2	Very high	9 Å²	9	45.2 Å²	45.2	6%	0.063	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-87.7	-8	174.3	-64.9	0	0	0	0	113.8	Y154 K298 W299	Y154-S301 WeakPolarHBondContact CB-OG 3.29Å; K298-S301 PolarHBondContact O-N 3.13Å; W299-S301 PolarHBondContact O-N 3.34Å
302	H	90.1	Very high	94.1	Very high	87 Å²	87	41 Å²	41	40%	0.403	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-11.7	-171	-59.7	-64.9	0	0	0	113.8	P145 I146 K298 W299	P145-H302 CarbonylContact C-O 3.54Å; P145-H302 VanDerWaalsContact CA-O 3.28Å; P145-H302 WeakPolarHBondContact CA-O 3.27Å; I146-H302 PolarHBondContact N-O 3.46Å; K298-H302 PolarHBondContact O-CD2 2.92Å; W299-H302 CarbonylContact O-C 3.57Å; W299-H302 PolarHBondContact O-N 2.76Å
303	Y	93.8	Very high	94	Very high	52 Å²	52	39.5 Å²	39.5	20%	0.204	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	142.6	-176.6	-68.8	-103	0	0	0	111.3	K144 P145 P263 P264 W299	K144-Y303 CarbonylContact O-C 3.59Å; K144-Y303 VanDerWaalsContact O-CA 3.23Å; K144-Y303 WeakPolarHBondContact O-CA 3.3Å; P145-Y303 HydrophobicContact CB-CE1 4.33Å; P145-Y303 HydrophobicContact CG-CD1 4.26Å; P145-Y303 HydrophobicContact CG-CE1 3.71Å; P263-Y303 HydrophobicContact CB-CD1 3.84Å; P263-Y303 HydrophobicContact CB-CD2 3.65Å; P263-Y303 HydrophobicContact CB-CE1 4Å; P263-Y303 HydrophobicContact CB-CE2 3.86Å; P263-Y303 HydrophobicContact CB-CG 3.68Å; P263-Y303 HydrophobicContact CG-CD1 3.65Å; P263-Y303 HydrophobicContact CG-CD2 3.91Å; P263-Y303 HydrophobicContact CG-CE1 4.29Å; P263-Y303 HydrophobicContact CG-CG 3.44Å; P263-Y303 VanDerWaalsContact CG-CG 3.44Å; P264-Y303 VanDerWaalsContact CD-OH 3.25Å; P264-Y303 WeakPolarHBondContact CD-OH 3.45Å; W299-Y303 HydrophobicContact CB-CD2 3.97Å; W299-Y303 PolarHBondContact O-N 3.28Å
304	E	93.7	Very high	93.9	Very high	82 Å²	82	39.5 Å²	39.5	38%	0.383	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	151.3	174.2	63	180	171.9	0	0	110.9	Y143 K144 I146	Y143-E304 VanDerWaalsContact CA-O 3.28Å; Y143-E304 WeakPolarHBondContact CA-O 3.46Å; Y143-E304 VanDerWaalsContact CD1-C 3.49Å; Y143-E304 WeakPolarHBondContact CD1-O 3.37Å; K144-E304 WeakPolarHBondContact CE-OE1 3.29Å; K144-E304 HydrophobicContact CG-CG 4.03Å; K144-E304 PolarHBondContact N-O 3.31Å; K144-E304 IonicContact NZ-OE1 3.7Å; K144-E304 PolarHBondContact NZ-OE1 2.61Å; K144-E304 PolarHBondContact O-N 2.74Å; I146-E304 HydrophobicContact CD1-CB 4.31Å; I146-E304 HydrophobicContact CG1-CB 3.92Å; I146-E304 HydrophobicContact CG1-CG 4Å
305	A	95.3	Very high	93.8	Very high	67 Å²	67	38 Å²	38	55%	0.554	19%	0.187	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	139.4	173.4	0	0	0	0	0	110	L142 Y143	L142-A305 CarbonylContact O-C 3.52Å; Y143-A305 HydrophobicContact CD1-CB 4.4Å; Y143-A305 HydrophobicContact CE1-CB 3.95Å
306	V	94.7	Very high	93.7	Very high	21 Å²	21	38 Å²	38	13%	0.127	19%	0.187	C	C	.	.			trans	-99.1	118.4	177.9	-179.4	0	0	0	0	108.4	F25 L28 L142 K144 T308	F25-V306 HydrophobicContact CE1-CG1 4.08Å; F25-V306 HydrophobicContact CE1-CG2 4.08Å; F25-V306 HydrophobicContact CZ-CG2 4.19Å; L28-V306 HydrophobicContact CD1-CG1 4.25Å; L142-V306 HydrophobicContact CB-CB 4.17Å; L142-V306 HydrophobicContact CD2-CB 4.02Å; L142-V306 HydrophobicContact CD2-CG1 4.04Å; L142-V306 HydrophobicContact CD2-CG2 4.32Å; L142-V306 HydrophobicContact CG-CB 3.97Å; L142-V306 HydrophobicContact CG-CG2 4.07Å; L142-V306 PolarHBondContact O-N 2.96Å; K144-V306 HydrophobicContact CB-CG2 3.79Å; K144-V306 HydrophobicContact CD-CG2 3.69Å; K144-V306 HydrophobicContact CG-CG2 3.54Å; V306-T308 PolarHBondContact O-N 2.82Å; V306-T308 VanDerWaalsContact O-N 3.16Å
307	N	93.7	Very high	93.6	Very high	125 Å²	125	39.6 Å²	39.6	67%	0.668	20%	0.196	S	C	*	.			trans	-68.6	110.6	161.5	-175.1	-18.1	0	0	0	107.9	R309	N307-R309 HydrophobicContact CB-CG 4.41Å; N307-R309 PolarHBondContact O-N 3.25Å; N307-R309 PolarHBondContact OD1-N 3.48Å
308	T	94.3	Very high	93.5	Very high	21 Å²	21	39.9 Å²	39.9	13%	0.129	20%	0.197	C	C	.	.			trans	-74.9	-7.2	-177.1	66	0	0	0	0	112.8	I24 P139 L142 V306 F310 R313	I24-T308 HydrophobicContact CG2-CG2 4.22Å; P139-T308 HydrophobicContact CG-CG2 4.43Å; L142-T308 HydrophobicContact CB-CG2 4.25Å; L142-T308 HydrophobicContact CD2-CG2 4.29Å; V306-T308 PolarHBondContact O-N 2.82Å; V306-T308 VanDerWaalsContact O-N 3.16Å; T308-F310 VanDerWaalsContact C-N 3.28Å; T308-F310 PolarHBondContact O-N 3.22Å; T308-F310 VanDerWaalsContact O-N 3.16Å; T308-R313 PolarHBondContact O-NE 3.48Å; T308-R313 PolarHBondContact O-NH2 2.89Å
309	R	93.9	Very high	93.5	Very high	74 Å²	74	34.7 Å²	34.7	28%	0.279	18%	0.175	S	C	.	.			trans	43.8	49.7	176.4	-50.6	-169.1	76.2	174.6	4.5	113	L28 T63 N307 W311 C312 R313	L28-R309 HydrophobicContact CD2-CB 3.82Å; L28-R309 HydrophobicContact CD2-CG 3.99Å; T63-R309 PolarHBondContact O-NH2 3.24Å; N307-R309 HydrophobicContact CB-CG 4.41Å; N307-R309 PolarHBondContact O-N 3.25Å; N307-R309 PolarHBondContact OD1-N 3.48Å; R309-W311 VanDerWaalsContact C-N 3.32Å; R309-W311 PolarHBondContact O-N 3.14Å; R309-C312 HydrophobicContact CB-CB 3.95Å; R309-C312 PolarHBondContact NE-SG 2.69Å; R309-C312 VanDerWaalsContact NE-SG 3.4Å; R309-C312 PolarHBondContact O-N 2.96Å; R309-R313 PolarHBondContact O-N 2.73Å
310	F	94.9	Very high	93.3	Very high	20 Å²	20	39.1 Å²	39.1	9%	0.088	20%	0.196	C	C	.	.	H	α-helix	trans	-45.4	-53.3	-176.8	166	-110.5	0	0	0	112.6	A128 I136 I138 T308 C312 R313 L314	A128-F310 HydrophobicContact CB-CE2 4.09Å; A128-F310 HydrophobicContact CB-CZ 4.32Å; I136-F310 HydrophobicContact CB-CE2 4.19Å; I136-F310 HydrophobicContact CG2-CD2 3.57Å; I136-F310 HydrophobicContact CG2-CE2 3.61Å; I138-F310 HydrophobicContact CD1-CD1 4.29Å; I138-F310 HydrophobicContact CD1-CD2 3.43Å; I138-F310 VanDerWaalsContact CD1-CD2 3.43Å; I138-F310 HydrophobicContact CD1-CE1 4.19Å; I138-F310 HydrophobicContact CD1-CE2 3.33Å; I138-F310 HydrophobicContact CD1-CG 3.94Å; I138-F310 HydrophobicContact CD1-CZ 3.73Å; I138-F310 HydrophobicContact CG1-CD2 3.59Å; I138-F310 HydrophobicContact CG1-CE2 3.87Å; I138-F310 HydrophobicContact CG1-CG 4.25Å; T308-F310 VanDerWaalsContact C-N 3.28Å; T308-F310 PolarHBondContact O-N 3.22Å; T308-F310 VanDerWaalsContact O-N 3.16Å; F310-C312 PolarHBondContact O-N 2.78Å; F310-R313 PolarHBondContact O-N 2.87Å; F310-R313 VanDerWaalsContact O-N 3.17Å; F310-L314 HydrophobicContact CE1-CD2 4.36Å; F310-L314 HydrophobicContact CE2-CB 4.49Å; F310-L314 HydrophobicContact CZ-CD2 3.98Å; F310-L314 PolarHBondContact O-N 2.88Å
311	W	95.1	Very high	93.3	Very high	12 Å²	12	39 Å²	39	5%	0.045	20%	0.204	C	C	.	.	H	α-helix	trans	-60.3	-42	179.9	-63.6	120.1	0	0	0	113.3	L44 L53 S56 A57 A60 F61 I86 R309 R313 L314 C315	L44-W311 HydrophobicContact CD2-CH2 4.41Å; L53-W311 HydrophobicContact CB-CH2 3.98Å; L53-W311 HydrophobicContact CB-CZ2 3.69Å; L53-W311 HydrophobicContact CD1-CH2 4.2Å; L53-W311 HydrophobicContact CD1-CZ2 4.3Å; L53-W311 HydrophobicContact CD2-CZ2 3.97Å; L53-W311 HydrophobicContact CG-CH2 4.5Å; L53-W311 HydrophobicContact CG-CZ2 4.18Å; S56-W311 PolarHBondContact OG-NE1 3.07Å; A57-W311 HydrophobicContact CB-CD2 3.59Å; A57-W311 VanDerWaalsContact CB-CE2 3.48Å; A57-W311 HydrophobicContact CB-CE3 3.78Å; A57-W311 HydrophobicContact CB-CG 4.23Å; A57-W311 HydrophobicContact CB-CH2 3.81Å; A57-W311 HydrophobicContact CB-CZ2 3.62Å; A57-W311 HydrophobicContact CB-CZ3 3.88Å; A60-W311 HydrophobicContact CB-CB 3.75Å; A60-W311 HydrophobicContact CB-CG 4Å; F61-W311 HydrophobicContact CD1-CB 4.09Å; F61-W311 HydrophobicContact CE1-CB 3.67Å; F61-W311 HydrophobicContact CE1-CE3 4.21Å; F61-W311 HydrophobicContact CE1-CG 4.46Å; F61-W311 WeakPolarHBondContact CE1-O 3.2Å; F61-W311 HydrophobicContact CZ-CB 4.23Å; F61-W311 HydrophobicContact CZ-CD2 4.32Å; F61-W311 AromaticContact CZ-CE3 3.71Å; F61-W311 HydrophobicContact CZ-CE3 3.71Å; F61-W311 HydrophobicContact CZ-CZ3 4.47Å; I86-W311 HydrophobicContact CD1-CH2 4.23Å; I86-W311 HydrophobicContact CD1-CZ3 4.01Å; R309-W311 VanDerWaalsContact C-N 3.32Å; R309-W311 PolarHBondContact O-N 3.14Å; W311-R313 VanDerWaalsContact C-N 3.34Å; W311-R313 PolarHBondContact O-N 3.06Å; W311-L314 HydrophobicContact CE3-CD2 3.95Å; W311-L314 HydrophobicContact CZ3-CD2 3.86Å; W311-L314 PolarHBondContact O-N 3.19Å; W311-C315 WeakPolarHBondContact O-CB 3.28Å; W311-C315 PolarHBondContact O-N 2.79Å
312	C	94	Very high	93.3	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.014	23%	0.23	C	C	.	.	H	α-helix	trans	-63.4	-41.7	176.2	-54.4	0	0	0	0	112	L31 C64 R309 F310 A316	L31-C312 HydrophobicContact CD1-CB 4.48Å; L31-C312 HydrophobicContact CD2-CB 4Å; C64-C312 VanDerWaalsContact CA-SG 3.53Å; C64-C312 HydrophobicContact CB-CB 3.67Å; C64-C312 WeakPolarHBondContact CB-SG 3.37Å; C64-C312 WeakPolarHBondContact SG-CA 3.42Å; C64-C312 WeakPolarHBondContact SG-CB 3.4Å; C64-C312 CovalentContact SG-SG 2.03Å; C64-C312 PolarHBondContact SG-SG 2.97Å; R309-C312 HydrophobicContact CB-CB 3.95Å; R309-C312 PolarHBondContact NE-SG 2.69Å; R309-C312 VanDerWaalsContact NE-SG 3.4Å; R309-C312 PolarHBondContact O-N 2.96Å; F310-C312 PolarHBondContact O-N 2.78Å; C312-A316 VanDerWaalsContact O-CB 3.31Å; C312-A316 WeakPolarHBondContact O-CB 3.32Å; C312-A316 PolarHBondContact O-N 2.98Å
313	R	94.9	Very high	93.1	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	25%	0.249	C	C	.	.	H	α-helix	trans	-65.1	-45.2	176.9	-70	-171	-72.1	145.7	-0.8	111.3	Q27 L28 P137 T308 R309 F310 W311 A316 M317	Q27-R313 HydrophobicContact CB-CB 4.36Å; Q27-R313 HydrophobicContact CB-CG 3.84Å; L28-R313 HydrophobicContact CD2-CG 4.19Å; P137-R313 PolarHBondContact O-NH1 3.43Å; P137-R313 VanDerWaalsContact O-NH1 3.16Å; P137-R313 PolarHBondContact O-NH2 3.12Å; T308-R313 PolarHBondContact O-NE 3.48Å; T308-R313 PolarHBondContact O-NH2 2.89Å; R309-R313 PolarHBondContact O-N 2.73Å; F310-R313 PolarHBondContact O-N 2.87Å; F310-R313 VanDerWaalsContact O-N 3.17Å; W311-R313 VanDerWaalsContact C-N 3.34Å; W311-R313 PolarHBondContact O-N 3.06Å; R313-A316 PolarHBondContact O-N 2.97Å; R313-M317 WeakPolarHBondContact O-CB 3.49Å; R313-M317 VanDerWaalsContact O-CG 3.27Å; R313-M317 WeakPolarHBondContact O-CG 3.48Å; R313-M317 PolarHBondContact O-N 2.92Å
314	L	95.4	Very high	93.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.3	-49.8	176.6	173.3	59.8	0	0	0	111.2	I42 I86 I104 W126 I136 F310 W311 A316 M317 L318	I42-L314 HydrophobicContact CD1-CD2 3.94Å; I42-L314 HydrophobicContact CD1-CG 4.27Å; I86-L314 HydrophobicContact CD1-CD2 3.89Å; I104-L314 HydrophobicContact CD1-CD1 3.54Å; W126-L314 HydrophobicContact CE3-CD1 4.42Å; W126-L314 HydrophobicContact CZ3-CD1 4.22Å; I136-L314 HydrophobicContact CD1-CB 4.09Å; I136-L314 HydrophobicContact CD1-CD1 3.43Å; I136-L314 VanDerWaalsContact CD1-CD1 3.43Å; I136-L314 HydrophobicContact CD1-CG 4.33Å; F310-L314 HydrophobicContact CE1-CD2 4.36Å; F310-L314 HydrophobicContact CE2-CB 4.49Å; F310-L314 HydrophobicContact CZ-CD2 3.98Å; F310-L314 PolarHBondContact O-N 2.88Å; W311-L314 HydrophobicContact CE3-CD2 3.95Å; W311-L314 HydrophobicContact CZ3-CD2 3.86Å; W311-L314 PolarHBondContact O-N 3.19Å; L314-A316 PolarHBondContact O-N 3.13Å; L314-M317 PolarHBondContact O-N 2.97Å; L314-L318 HydrophobicContact CD1-CD1 3.88Å; L314-L318 HydrophobicContact CD1-CG 3.95Å; L314-L318 HydrophobicContact CG-CD1 4.02Å; L314-L318 HydrophobicContact CG-CG 4.48Å; L314-L318 WeakPolarHBondContact O-CG 3.42Å; L314-L318 PolarHBondContact O-N 2.84Å
315	C	94.2	Very high	93.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.6	-42	-178.7	-170.2	0	0	0	0	112.5	F61 V66 C69 W311 M317 L318 N319	F61-C315 HydrophobicContact CD1-CB 4.06Å; F61-C315 HydrophobicContact CE1-CB 3.81Å; V66-C315 HydrophobicContact CG1-CB 4.46Å; C69-C315 HydrophobicContact CB-CB 3.81Å; C69-C315 WeakPolarHBondContact CB-SG 3.22Å; C69-C315 PolarHBondContact N-SG 3.05Å; C69-C315 WeakPolarHBondContact SG-CA 3.22Å; C69-C315 WeakPolarHBondContact SG-CB 3.38Å; C69-C315 CovalentContact SG-SG 2.03Å; C69-C315 PolarHBondContact SG-SG 3.07Å; W311-C315 WeakPolarHBondContact O-CB 3.28Å; W311-C315 PolarHBondContact O-N 2.79Å; C315-M317 VanDerWaalsContact C-N 3.34Å; C315-M317 PolarHBondContact O-N 3.18Å; C315-L318 PolarHBondContact O-N 3.05Å; C315-N319 PolarHBondContact O-N 2.85Å; C315-N319 PolarHBondContact O-ND2 3.12Å
316	A	92.7	Very high	93.4	Very high	11 Å²	11	43.3 Å²	43.3	9%	0.091	23%	0.233	C	C	.	.	H	α-helix	trans	-60.9	-42.3	174	0	0	0	0	0	112.1	L31 V66 C312 R313 L314 N319	L31-A316 HydrophobicContact CD2-CB 3.9Å; V66-A316 HydrophobicContact CB-CB 4.28Å; V66-A316 HydrophobicContact CG2-CB 4.11Å; C312-A316 VanDerWaalsContact O-CB 3.31Å; C312-A316 WeakPolarHBondContact O-CB 3.32Å; C312-A316 PolarHBondContact O-N 2.98Å; R313-A316 PolarHBondContact O-N 2.97Å; L314-A316 PolarHBondContact O-N 3.13Å; A316-N319 PolarHBondContact O-N 3.1Å
317	M	93.2	Very high	93.5	Very high	47 Å²	47	49.4 Å²	49.4	23%	0.232	27%	0.265	C	S	.	.	H	α-helix	trans	-66.8	-37.5	177.2	-73.8	177.1	60.7	0	0	112.7	Q27 W126 I136 R313 L314 C315 N319 H320	Q27-M317 HydrophobicContact CG-SD 4.28Å; Q27-M317 PolarHBondContact NE2-SD 3.4Å; Q27-M317 VanDerWaalsContact NE2-SD 3.44Å; W126-M317 HydrophobicContact CE3-CE 4.46Å; W126-M317 HydrophobicContact CH2-CB 3.98Å; W126-M317 HydrophobicContact CZ3-CB 3.99Å; W126-M317 HydrophobicContact CZ3-CE 4.44Å; I136-M317 HydrophobicContact CD1-CE 4.24Å; I136-M317 HydrophobicContact CD1-SD 4.11Å; I136-M317 HydrophobicContact CG1-CE 3.8Å; I136-M317 HydrophobicContact CG1-SD 3.72Å; R313-M317 WeakPolarHBondContact O-CB 3.49Å; R313-M317 VanDerWaalsContact O-CG 3.27Å; R313-M317 WeakPolarHBondContact O-CG 3.48Å; R313-M317 PolarHBondContact O-N 2.92Å; L314-M317 PolarHBondContact O-N 2.97Å; C315-M317 VanDerWaalsContact C-N 3.34Å; C315-M317 PolarHBondContact O-N 3.18Å; M317-N319 VanDerWaalsContact C-N 3.27Å; M317-N319 PolarHBondContact O-N 2.75Å; M317-H320 CarbonylContact O-C 3.54Å; M317-H320 PolarHBondContact O-N 3.38Å; M317-H320 VanDerWaalsContact O-N 3.13Å
318	L	93.8	Very high	93.7	Very high	11 Å²	11	44.9 Å²	44.9	6%	0.058	24%	0.243	C	C	.	.	H	α-helix	trans	-67.9	-23.3	177.8	-74.2	173.5	0	0	0	113.7	L40 I42 A84 I102 W126 L314 C315 H320 P321	L40-L318 HydrophobicContact CD1-CB 3.81Å; I42-L318 HydrophobicContact CD1-CD1 3.73Å; I42-L318 HydrophobicContact CG1-CD1 3.66Å; A84-L318 HydrophobicContact CB-CD1 3.79Å; A84-L318 HydrophobicContact CB-CD2 3.75Å; A84-L318 HydrophobicContact CB-CG 4.45Å; I102-L318 HydrophobicContact CB-CD2 4.04Å; I102-L318 HydrophobicContact CG1-CD2 4.08Å; I102-L318 HydrophobicContact CG2-CD2 4.37Å; W126-L318 HydrophobicContact CE3-CD2 4.49Å; W126-L318 HydrophobicContact CH2-CD2 3.85Å; W126-L318 HydrophobicContact CH2-CG 4.39Å; W126-L318 HydrophobicContact CZ3-CD2 3.56Å; W126-L318 HydrophobicContact CZ3-CG 3.98Å; L314-L318 HydrophobicContact CD1-CD1 3.88Å; L314-L318 HydrophobicContact CD1-CG 3.95Å; L314-L318 HydrophobicContact CG-CD1 4.02Å; L314-L318 HydrophobicContact CG-CG 4.48Å; L314-L318 WeakPolarHBondContact O-CG 3.42Å; L314-L318 PolarHBondContact O-N 2.84Å; C315-L318 PolarHBondContact O-N 3.05Å; L318-H320 PolarHBondContact O-N 2.95Å; L318-P321 WeakPolarHBondContact O-CD 3.45Å
319	N	92.5	Very high	93.8	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.037	24%	0.237	C	C	.	.	H	α-helix	trans	-71.3	-21.4	173	-84.5	-96.3	0	0	0	112.7	V36 V66 N68 C315 A316 M317	V36-N319 PolarHBondContact N-OD1 3.13Å; V66-N319 WeakPolarHBondContact CG1-ND2 3.38Å; N68-N319 PolarHBondContact ND2-OD1 2.84Å; N68-N319 PolarHBondContact OD1-ND2 3.45Å; N68-N319 PolarHBondContact OD1-OD1 3.07Å; C315-N319 PolarHBondContact O-N 2.85Å; C315-N319 PolarHBondContact O-ND2 3.12Å; A316-N319 PolarHBondContact O-N 3.1Å; M317-N319 VanDerWaalsContact C-N 3.27Å; M317-N319 PolarHBondContact O-N 2.75Å
320	H	89.3	Confident	94	Very high	107 Å²	107	41.9 Å²	41.9	50%	0.495	23%	0.231	S	C	.	.	S	Bend	trans	-137.6	64.2	179.2	-60.3	-57.1	0	0	0	110.7	M317 L318 V322	M317-H320 CarbonylContact O-C 3.54Å; M317-H320 PolarHBondContact O-N 3.38Å; M317-H320 VanDerWaalsContact O-N 3.13Å; L318-H320 PolarHBondContact O-N 2.95Å; H320-V322 PolarHBondContact O-N 3.39Å
321	P	91.1	Very high	94.1	Very high	62 Å²	62	44.5 Å²	44.5	40%	0.403	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-70.1	132	-172.5	29.5	-32.1	0	0	0	110.2	I102 W126 L318	I102-P321 HydrophobicContact CD1-CB 4.02Å; I102-P321 HydrophobicContact CG1-CB 4.14Å; W126-P321 HydrophobicContact CH2-CB 4.09Å; W126-P321 HydrophobicContact CZ2-CB 3.89Å; L318-P321 WeakPolarHBondContact O-CD 3.45Å
322	V	88.5	Confident	94.1	Very high	102 Å²	102	45.5 Å²	45.5	62%	0.618	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-90.8	123.7	171.2	-179.6	0	0	0	0	108.5	H320 K324	H320-V322 PolarHBondContact O-N 3.39Å; V322-K324 PolarHBondContact O-N 3.03Å
323	P	87.2	Confident	94.3	Very high	123 Å²	123	45.4 Å²	45.4	80%	0.799	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-57.3	123.7	175.6	-25.1	34.4	0	0	0	111.2
324	K	94.5	Very high	94.3	Very high	74 Å²	74	49 Å²	49	32%	0.322	27%	0.269	S	S	.	.			trans	-159.3	144.9	-179.7	177.7	-177.7	169.6	-171.3	0	109.3	N125 D135 V322 Y326	N125-K324 VanDerWaalsContact CA-O 3.24Å; N125-K324 WeakPolarHBondContact CA-O 3.25Å; N125-K324 VanDerWaalsContact CB-O 3.3Å; N125-K324 WeakPolarHBondContact CB-O 3.48Å; N125-K324 PolarHBondContact ND2-O 3.44Å; D135-K324 IonicContact OD1-NZ 2.66Å; D135-K324 PolarHBondContact OD1-NZ 2.95Å; D135-K324 IonicContact OD2-NZ 2.63Å; D135-K324 PolarHBondContact OD2-NZ 3.49Å; D135-K324 VanDerWaalsContact OD2-NZ 3.12Å; V322-K324 PolarHBondContact O-N 3.03Å; K324-Y326 HydrophobicContact CD-CE2 4.48Å; K324-Y326 VanDerWaalsContact NZ-CE2 3.3Å; K324-Y326 PolarHBondContact NZ-OH 3.26Å
325	T	96	Very high	94.3	Very high	64 Å²	64	50.6 Å²	50.6	39%	0.393	28%	0.279	S	S	.	.			trans	-140.4	139.9	168.4	-57.7	0	0	0	0	109	G122 V124 N125	G122-T325 WeakPolarHBondContact O-CG2 3.33Å; V124-T325 WeakPolarHBondContact O-CA 3.31Å; N125-T325 PolarHBondContact ND2-OG1 3.39Å
326	Y	97.2	Very high	94.1	Very high	26 Å²	26	57 Å²	57	10%	0.102	32%	0.32	C	S	.	.			trans	-80.4	114.9	169.3	-77	-99.8	0	0	0	109.6	G122 V124 T127 D135 K324 S328 W332	G122-Y326 WeakPolarHBondContact CA-O 3.46Å; G122-Y326 PolarHBondContact N-O 2.85Å; V124-Y326 HydrophobicContact CG1-CD2 4.33Å; V124-Y326 PolarHBondContact O-N 3.18Å; T127-Y326 HydrophobicContact CG2-CD2 4.24Å; T127-Y326 HydrophobicContact CG2-CE1 4.33Å; T127-Y326 HydrophobicContact CG2-CE2 3.63Å; T127-Y326 PolarHBondContact OG1-OH 3.28Å; T127-Y326 VanDerWaalsContact OG1-OH 3.13Å; D135-Y326 VanDerWaalsContact OD2-CE2 3.3Å; D135-Y326 WeakPolarHBondContact OD2-CE2 3.39Å; D135-Y326 PolarHBondContact OD2-OH 2.96Å; D135-Y326 VanDerWaalsContact OD2-OH 3.07Å; K324-Y326 HydrophobicContact CD-CE2 4.48Å; K324-Y326 VanDerWaalsContact NZ-CE2 3.3Å; K324-Y326 PolarHBondContact NZ-OH 3.26Å; Y326-S328 PolarHBondContact O-N 3.28Å; Y326-W332 HydrophobicContact CD1-CB 3.88Å; Y326-W332 HydrophobicContact CD1-CD2 4.49Å; Y326-W332 AromaticContact CD1-CG 3.99Å; Y326-W332 HydrophobicContact CD1-CG 3.99Å; Y326-W332 HydrophobicContact CE1-CB 3.91Å; Y326-W332 AromaticContact CE1-CD1 3.7Å; Y326-W332 AromaticContact CE1-CD2 3.84Å; Y326-W332 HydrophobicContact CE1-CD2 3.84Å; Y326-W332 AromaticContact CE1-CG 3.49Å; Y326-W332 HydrophobicContact CE1-CG 3.49Å; Y326-W332 VanDerWaalsContact CE1-CG 3.49Å
327	D	97.6	Very high	94	Very high	148 Å²	148	62 Å²	62	79%	0.791	35%	0.346	S	S	*	.	S	Bend	trans	-56.7	-42.1	173.6	-64.5	-28.6	0	0	0	111	N121 G122	N121-D327 WeakPolarHBondContact CB-O 3.24Å; G122-D327 PolarHBondContact N-O 2.87Å
328	S	97.5	Very high	94.2	Very high	30 Å²	30	60.2 Å²	60.2	21%	0.21	34%	0.338	C	S	.	.			trans	-135.9	103.1	174.5	-179	0	0	0	0	110.7	N121 Y326 E330 S331 W332	N121-S328 PolarHBondContact ND2-OG 3.11Å; N121-S328 WeakPolarHBondContact OD1-CA 3.48Å; Y326-S328 PolarHBondContact O-N 3.28Å; S328-E330 VanDerWaalsContact C-N 3.29Å; S328-S331 WeakPolarHBondContact CB-OG 3.49Å; S328-S331 WeakPolarHBondContact OG-CB 3.35Å; S328-S331 PolarHBondContact OG-N 3.44Å; S328-S331 PolarHBondContact OG-OG 2.91Å; S328-W332 PolarHBondContact O-N 3.21Å
329	L	97.1	Very high	94.3	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-63.9	-41.1	171.1	-179.5	69.5	0	0	0	109.6	F105 F117 L120 N121 V124 T127 S331 W332 W333	F105-L329 HydrophobicContact CB-CD1 4.34Å; F105-L329 HydrophobicContact CB-CD2 4.06Å; F105-L329 HydrophobicContact CD1-CD1 4.06Å; F105-L329 HydrophobicContact CD1-CD2 4.14Å; F105-L329 HydrophobicContact CD2-CD2 3.77Å; F105-L329 HydrophobicContact CE2-CD2 4.21Å; F105-L329 HydrophobicContact CG-CD1 4.25Å; F105-L329 HydrophobicContact CG-CD2 3.71Å; F117-L329 HydrophobicContact CB-CD2 3.94Å; F117-L329 HydrophobicContact CB-CG 4.42Å; F117-L329 HydrophobicContact CG-CD2 4.34Å; L120-L329 HydrophobicContact CB-CD2 3.88Å; L120-L329 HydrophobicContact CD1-CD2 3.79Å; L120-L329 HydrophobicContact CG-CD2 4.46Å; N121-L329 PolarHBondContact OD1-N 3.43Å; V124-L329 HydrophobicContact CB-CD1 4.38Å; V124-L329 HydrophobicContact CG1-CD1 4.2Å; V124-L329 HydrophobicContact CG2-CB 4.28Å; V124-L329 HydrophobicContact CG2-CD1 4.36Å; V124-L329 HydrophobicContact CG2-CD2 3.66Å; V124-L329 HydrophobicContact CG2-CG 4.3Å; T127-L329 HydrophobicContact CG2-CD1 3.87Å; L329-S331 PolarHBondContact O-N 3.21Å; L329-W332 HydrophobicContact CD1-CE3 3.71Å; L329-W332 HydrophobicContact CD1-CZ3 4.1Å; L329-W332 PolarHBondContact O-N 3.43Å; L329-W333 VanDerWaalsContact O-CB 3.23Å; L329-W333 WeakPolarHBondContact O-CB 3.3Å; L329-W333 PolarHBondContact O-N 2.74Å
330	E	96.7	Very high	94.3	Very high	32 Å²	32	66.4 Å²	66.4	15%	0.15	37%	0.366	C	S	.	.	H	α-helix	trans	-57	-48.2	179.1	177	61.1	-138.6	0	0	111.5	S116 F117 A118 N121 S328 W332 W333 R334	S116-E330 VanDerWaalsContact CA-OE2 3.29Å; S116-E330 WeakPolarHBondContact CA-OE2 3.46Å; S116-E330 PolarHBondContact OG-OE2 3.16Å; F117-E330 PolarHBondContact N-OE2 3.03Å; A118-E330 HydrophobicContact CB-CB 4.39Å; A118-E330 HydrophobicContact CB-CG 4.47Å; N121-E330 PolarHBondContact OD1-N 3.15Å; N121-E330 VanDerWaalsContact OD1-N 3.11Å; S328-E330 VanDerWaalsContact C-N 3.29Å; E330-W332 VanDerWaalsContact C-N 3.33Å; E330-W332 PolarHBondContact O-N 3.01Å; E330-W333 PolarHBondContact O-N 3.4Å; E330-R334 VanDerWaalsContact CD-NH1 3.35Å; E330-R334 PolarHBondContact O-N 3.5Å; E330-R334 IonicContact OE1-CZ 3.7Å; E330-R334 IonicContact OE1-NH1 3.34Å; E330-R334 PolarHBondContact OE1-NH1 2.83Å; E330-R334 IonicContact OE2-NH1 3.35Å; E330-R334 PolarHBondContact OE2-NH1 3.15Å
331	S	96.9	Very high	94.4	Very high	76 Å²	76	66.1 Å²	66.1	53%	0.531	37%	0.374	S	S	.	.	H	α-helix	trans	-66.3	-35.1	179.3	-58.3	0	0	0	0	112.3	S328 L329 P335	S328-S331 WeakPolarHBondContact CB-OG 3.49Å; S328-S331 WeakPolarHBondContact OG-CB 3.35Å; S328-S331 PolarHBondContact OG-N 3.44Å; S328-S331 PolarHBondContact OG-OG 2.91Å; L329-S331 PolarHBondContact O-N 3.21Å; S331-P335 WeakPolarHBondContact O-CB 3.38Å; S331-P335 VanDerWaalsContact O-CD 3.3Å; S331-P335 WeakPolarHBondContact O-CD 3.45Å; S331-P335 WeakPolarHBondContact O-CG 3.24Å
332	W	97.1	Very high	94.2	Very high	33 Å²	33	64.5 Å²	64.5	13%	0.125	36%	0.364	C	S	.	.	H	α-helix	trans	-69.5	-40.6	172.9	172.6	76.7	0	0	0	111.9	F105 T127 T129 R131 D133 Y326 S328 L329 E330 P335	F105-W332 HydrophobicContact CD1-CZ3 4.28Å; F105-W332 HydrophobicContact CE1-CZ3 4.37Å; T127-W332 HydrophobicContact CG2-CD2 4.36Å; T127-W332 HydrophobicContact CG2-CE3 3.84Å; T127-W332 HydrophobicContact CG2-CH2 3.7Å; T127-W332 HydrophobicContact CG2-CZ2 4.26Å; T127-W332 HydrophobicContact CG2-CZ3 3.46Å; T127-W332 VanDerWaalsContact CG2-CZ3 3.46Å; T129-W332 HydrophobicContact CG2-CH2 3.88Å; T129-W332 HydrophobicContact CG2-CZ3 4.2Å; R131-W332 PolarHBondContact NH1-O 3.39Å; R131-W332 PolarHBondContact NH2-O 2.74Å; D133-W332 PolarHBondContact OD2-NE1 3.21Å; Y326-W332 HydrophobicContact CD1-CB 3.88Å; Y326-W332 HydrophobicContact CD1-CD2 4.49Å; Y326-W332 AromaticContact CD1-CG 3.99Å; Y326-W332 HydrophobicContact CD1-CG 3.99Å; Y326-W332 HydrophobicContact CE1-CB 3.91Å; Y326-W332 AromaticContact CE1-CD1 3.7Å; Y326-W332 AromaticContact CE1-CD2 3.84Å; Y326-W332 HydrophobicContact CE1-CD2 3.84Å; Y326-W332 AromaticContact CE1-CG 3.49Å; Y326-W332 HydrophobicContact CE1-CG 3.49Å; Y326-W332 VanDerWaalsContact CE1-CG 3.49Å; S328-W332 PolarHBondContact O-N 3.21Å; L329-W332 HydrophobicContact CD1-CE3 3.71Å; L329-W332 HydrophobicContact CD1-CZ3 4.1Å; L329-W332 PolarHBondContact O-N 3.43Å; E330-W332 VanDerWaalsContact C-N 3.33Å; E330-W332 PolarHBondContact O-N 3.01Å; W332-P335 WeakPolarHBondContact O-CD 3.42Å
333	W	97.3	Very high	93.7	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-75	-40.9	-174	-176.9	-116.4	0	0	0	113.2	F105 E109 P111 T114 F117 T129 Y130 R131 L329 E330 P335	F105-W333 HydrophobicContact CE1-CD2 4.07Å; F105-W333 AromaticContact CE1-CE3 3.84Å; F105-W333 HydrophobicContact CE1-CE3 3.84Å; F105-W333 HydrophobicContact CE1-CH2 4.31Å; F105-W333 AromaticContact CE1-CZ3 3.97Å; F105-W333 HydrophobicContact CE1-CZ3 3.97Å; F105-W333 HydrophobicContact CZ-CD2 4.32Å; F105-W333 HydrophobicContact CZ-CE3 4.5Å; F105-W333 HydrophobicContact CZ-CZ2 4.44Å; E109-W333 VanDerWaalsContact O-CH2 3.28Å; E109-W333 WeakPolarHBondContact O-CH2 3.42Å; E109-W333 WeakPolarHBondContact O-CZ2 3.39Å; P111-W333 HydrophobicContact CG-CD2 4.23Å; P111-W333 HydrophobicContact CG-CZ2 4.22Å; P111-W333 WeakPolarHBondContact CG-O 3.48Å; T114-W333 HydrophobicContact CG2-CZ2 4.24Å; T114-W333 PolarHBondContact OG1-NE1 3.5Å; F117-W333 AromaticContact CD2-CD1 3.48Å; F117-W333 VanDerWaalsContact CD2-CD1 3.48Å; F117-W333 HydrophobicContact CD2-CG 4.02Å; F117-W333 AromaticContact CD2-NE1 3.82Å; F117-W333 AromaticContact CE2-CD1 3.62Å; F117-W333 HydrophobicContact CE2-CG 4.3Å; F117-W333 AromaticContact CE2-NE1 3.42Å; T129-W333 HydrophobicContact CG2-CE3 4.47Å; T129-W333 HydrophobicContact CG2-CH2 4.37Å; T129-W333 HydrophobicContact CG2-CZ3 3.74Å; Y130-W333 HydrophobicContact CD1-CH2 4.17Å; Y130-W333 AromaticContact CE1-CH2 3.65Å; Y130-W333 HydrophobicContact CE1-CH2 3.65Å; Y130-W333 HydrophobicContact CE1-CZ2 4.4Å; Y130-W333 HydrophobicContact CE1-CZ3 4.28Å; R131-W333 HydrophobicContact CG-CZ3 4.27Å; R131-W333 PolarHBondContact NH1-O 2.83Å; L329-W333 VanDerWaalsContact O-CB 3.23Å; L329-W333 WeakPolarHBondContact O-CB 3.3Å; L329-W333 PolarHBondContact O-N 2.74Å; E330-W333 PolarHBondContact O-N 3.4Å; W333-P335 VanDerWaalsContact C-CD 3.41Å
334	R	94.9	Very high	93.1	Very high	77 Å²	77	64.9 Å²	64.9	29%	0.291	35%	0.351	S	S	.	.	S	Bend	trans	-126.9	55.7	-177.9	-163.9	-175.5	-71.2	121.2	-0.8	113.1	P111 T114 P115 E330	P111-R334 HydrophobicContact CB-CB 4.28Å; P111-R334 HydrophobicContact CB-CG 4.18Å; P111-R334 PolarHBondContact O-NE 3.09Å; P111-R334 PolarHBondContact O-NH2 3.11Å; T114-R334 PolarHBondContact O-NH2 3.28Å; P115-R334 PolarHBondContact O-NH2 3.5Å; E330-R334 VanDerWaalsContact CD-NH1 3.35Å; E330-R334 PolarHBondContact O-N 3.5Å; E330-R334 IonicContact OE1-CZ 3.7Å; E330-R334 IonicContact OE1-NH1 3.34Å; E330-R334 PolarHBondContact OE1-NH1 2.83Å; E330-R334 IonicContact OE2-NH1 3.35Å; E330-R334 PolarHBondContact OE2-NH1 3.15Å
335	P	94.4	Very high	92	Very high	32 Å²	32	63.1 Å²	63.1	21%	0.208	34%	0.343	C	S	.	.			trans	-70.4	157.2	169.9	19.3	-14.3	0	0	0	110.6	S331 W332 W333 D337 V338	S331-P335 WeakPolarHBondContact O-CB 3.38Å; S331-P335 VanDerWaalsContact O-CD 3.3Å; S331-P335 WeakPolarHBondContact O-CD 3.45Å; S331-P335 WeakPolarHBondContact O-CG 3.24Å; W332-P335 WeakPolarHBondContact O-CD 3.42Å; W333-P335 VanDerWaalsContact C-CD 3.41Å; P335-D337 PolarHBondContact O-N 2.89Å; P335-V338 HydrophobicContact CG-CB 4.18Å; P335-V338 HydrophobicContact CG-CG2 3.48Å; P335-V338 VanDerWaalsContact CG-CG2 3.48Å; P335-V338 PolarHBondContact O-N 3.5Å; P335-V338 VanDerWaalsContact O-N 3.14Å
336	P	91.2	Very high	90	Very high	134 Å²	134	63.5 Å²	63.5	87%	0.87	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.8	-170.9	-27.3	35.6	0	0	0	115.8
337	D	90.8	Very high	87.8	Confident	118 Å²	118	65.8 Å²	65.8	63%	0.631	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-5.5	-175.3	65	-43.4	0	0	0	113.9	P335	P335-D337 PolarHBondContact O-N 2.89Å
338	V	95.8	Very high	85.3	Confident	9 Å²	9	67.8 Å²	67.8	6%	0.055	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-34.3	-177	161	0	0	0	0	113	P111 C229 R230 P335	P111-V338 HydrophobicContact CG-CG1 3.96Å; C229-V338 CarbonylContact C-O 3.56Å; C229-V338 WeakPolarHBondContact CA-O 3.39Å; R230-V338 WeakPolarHBondContact CG-O 3.42Å; R230-V338 PolarHBondContact N-O 3.02Å; P335-V338 HydrophobicContact CG-CB 4.18Å; P335-V338 HydrophobicContact CG-CG2 3.48Å; P335-V338 VanDerWaalsContact CG-CG2 3.48Å; P335-V338 PolarHBondContact O-N 3.5Å; P335-V338 VanDerWaalsContact O-N 3.14Å
339	C	96.8	Very high	82.7	Confident	25 Å²	25	73.5 Å²	73.5	17%	0.169	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129.1	178.1	-61	0	0	0	0	110.7	L112 N228 C229	L112-C339 HydrophobicContact CD1-CB 3.96Å; L112-C339 HydrophobicContact CD2-CB 4.15Å; L112-C339 HydrophobicContact CG-CB 3.92Å; N228-C339 CarbonylContact O-C 3.14Å; N228-C339 WeakPolarHBondContact O-CA 3.3Å; C229-C339 HydrophobicContact CB-CB 4.13Å; C229-C339 WeakPolarHBondContact CB-SG 3.17Å; C229-C339 WeakPolarHBondContact SG-CB 3.4Å; C229-C339 CovalentContact SG-SG 2.04Å; C229-C339 PolarHBondContact SG-SG 3.32Å
340	K	93.6	Very high	80.1	Confident	122 Å²	122	81 Å²	81	53%	0.53	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	150.4	177.9	-67.5	-174.6	-179.7	179.5	0	111.3	N228	N228-K340 HydrophobicContact CB-CB 4.27Å; N228-K340 PolarHBondContact O-N 2.92Å
341	P	90.2	Very high	77.4	Confident	102 Å²	102	82.9 Å²	82.9	66%	0.662	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-64.1	169.5	171.4	28.4	-35.2	0	0	0	112	N228	N228-P341 PolarHBondContact ND2-O 3.32Å
342	P	86.1	Confident	75	Confident	28 Å²	28	85.3 Å²	85.3	18%	0.182	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-52.1	143.8	168.6	-22.4	29.9	0	0	0	112.3	M176 N177 Q178 L344	M176-P342 WeakPolarHBondContact O-CG 3.37Å; N177-P342 WeakPolarHBondContact O-CB 3.21Å; Q178-P342 HydrophobicContact CB-CB 4.18Å; Q178-P342 HydrophobicContact CB-CG 4.23Å; Q178-P342 HydrophobicContact CG-CB 4.19Å; Q178-P342 HydrophobicContact CG-CG 3.76Å; P342-L344 PolarHBondContact O-N 2.81Å
343	K	78	Confident	72.4	Confident	80 Å²	80	99 Å²	99	35%	0.348	52%	0.517	S	S	.	.			trans	-73.8	110.5	167.7	-171.2	174.8	-175.8	173.5	0	107.8	D271 F273 F345	D271-K343 IonicContact OD1-NZ 3.7Å; F273-K343 PolarHBondContact O-NZ 2.63Å; K343-F345 VanDerWaalsContact O-CD1 3.32Å; K343-F345 WeakPolarHBondContact O-CD1 3.39Å; K343-F345 PolarHBondContact O-N 3.24Å
344	L	75.6	Confident	71.2	Confident	153 Å²	153	103.9 Å²	103.9	80%	0.801	54%	0.543	S	S	*	.			trans	-71.7	116.3	171.3	-64.6	173.2	0	0	0	108.1	P342	P342-L344 PolarHBondContact O-N 2.81Å
345	F	71.1	Confident	69.9	Low	37 Å²	37	105.3 Å²	105.3	16%	0.162	56%	0.556	C	S	.	*			trans	-98	145.1	162.8	41	-82	0	0	0	106.8	A181 Y182 E185 P276 K343 V347	A181-F345 HydrophobicContact CB-CZ 4.13Å; Y182-F345 AromaticContact CD2-CD1 3.94Å; Y182-F345 HydrophobicContact CD2-CD1 3.94Å; Y182-F345 AromaticContact CD2-CE1 3.78Å; Y182-F345 HydrophobicContact CD2-CE1 3.78Å; Y182-F345 HydrophobicContact CG-CE1 4.28Å; E185-F345 HydrophobicContact CB-CD2 4.11Å; E185-F345 HydrophobicContact CB-CE2 3.54Å; E185-F345 HydrophobicContact CB-CZ 4.2Å; E185-F345 HydrophobicContact CG-CD2 3.84Å; E185-F345 HydrophobicContact CG-CE2 3.8Å; P276-F345 HydrophobicContact CG-CD2 4.46Å; P276-F345 HydrophobicContact CG-CG 4.28Å; K343-F345 VanDerWaalsContact O-CD1 3.32Å; K343-F345 WeakPolarHBondContact O-CD1 3.39Å; K343-F345 PolarHBondContact O-N 3.24Å; F345-V347 HydrophobicContact CD2-CG2 3.58Å; F345-V347 HydrophobicContact CE2-CG2 3.4Å; F345-V347 HydrophobicContact CZ-CG2 4.39Å; F345-V347 PolarHBondContact O-N 3.41Å
346	A	54.6	Low	68.6	Low	72 Å²	72	109.4 Å²	109.4	60%	0.595	58%	0.575	S	S	*	*			trans	-61.7	92.7	171.8	0	0	0	0	0	107.8	Y348	A346-Y348 HydrophobicContact CB-CD2 4.11Å; A346-Y348 HydrophobicContact CB-CE2 3.91Å; A346-Y348 PolarHBondContact O-N 3.22Å
347	V	51.5	Low	67.2	Low	74 Å²	74	107.9 Å²	107.9	45%	0.448	56%	0.558	S	S	.	*			trans	-70.5	90	159.3	-175.1	0	0	0	0	102.8	F345 D349	F345-V347 HydrophobicContact CD2-CG2 3.58Å; F345-V347 HydrophobicContact CE2-CG2 3.4Å; F345-V347 HydrophobicContact CZ-CG2 4.39Å; F345-V347 PolarHBondContact O-N 3.41Å; V347-D349 PolarHBondContact O-N 3.19Å
348	Y	44.4	Very low	65.8	Low	189 Å²	189	107.3 Å²	107.3	74%	0.741	55%	0.554	S	S	*	*			trans	-57	115.5	168.4	-80.2	-82.6	0	0	0	106.2	A346 E350	A346-Y348 HydrophobicContact CB-CD2 4.11Å; A346-Y348 HydrophobicContact CB-CE2 3.91Å; A346-Y348 PolarHBondContact O-N 3.22Å; Y348-E350 PolarHBondContact O-N 3Å
349	D	43.5	Very low	63.8	Low	151 Å²	151	113.9 Å²	113.9	81%	0.807	59%	0.587	S	S	*	*			trans	-56.4	84.2	166.3	-77.6	-43.4	0	0	0	108.3	V347 A351	V347-D349 PolarHBondContact O-N 3.19Å; D349-A351 PolarHBondContact O-N 3.34Å
350	E	42.2	Very low	61.4	Low	156 Å²	156	120.2 Å²	120.2	73%	0.729	62%	0.617	S	S	*	*			trans	-79.5	73.6	144.6	-72.1	-174.2	165.9	0	0	106.2	R188 Y348 P352	R188-E350 IonicContact NH2-OE2 2.93Å; Y348-E350 PolarHBondContact O-N 3Å; E350-P352 WeakPolarHBondContact O-CD 3.45Å
351	A	39.3	Very low	58.9	Low	72 Å²	72	120.1 Å²	120.1	60%	0.595	62%	0.623	S	S	*	*			trans	-56.1	123.9	153.9	0	0	0	0	0	106	D349 R353	D349-A351 PolarHBondContact O-N 3.34Å; A351-R353 PolarHBondContact O-N 3.09Å; A351-R353 VanDerWaalsContact O-N 3.13Å
352	P	46.8	Very low	56.3	Low	127 Å²	127	121.6 Å²	121.6	83%	0.825	62%	0.62	S	S	*	*			trans	-59.1	123.2	174.6	23	-29.7	0	0	0	107.8	E350	E350-P352 WeakPolarHBondContact O-CD 3.45Å
353	R	42.7	Very low	53.6	Low	320 Å²	320	130.1 Å²	130.1	100%	1.208	66%	0.66	S	S	*	*			trans	-65.1	0	169	-77.4	-172	-170.5	-177.2	3.6	111	A351	A351-R353 PolarHBondContact O-N 3.09Å; A351-R353 VanDerWaalsContact O-N 3.13Å

Retrieved 353 of 353 residues in 304.2 ms (Link to these results)

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