A0A093HL34_STRCA Loading...

Metallophosphoesterase domain-containing protein 1

AlphaFold DB (A0A674HIP2), UniProt , Accession A0A093HL34, Species STRCA (Struthio camelus australis), Gene n/a, Length 302 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	38.4	Very low	35.3	Very low	248 Å²	248	149.9 Å²	149.9	100%	1.222	85%	0.854	S	S	*	*				0	148.7	0	-76.5	-173.8	-165.5	0	0	108.4
2	A	34.6	Very low	35.4	Very low	105 Å²	105	155.7 Å²	155.7	87%	0.868	85%	0.852	S	S	*	*			trans	94.1	85.3	-179.2	0	0	0	0	0	115.3
3	F	32.9	Very low	35.6	Very low	213 Å²	213	161.7 Å²	161.7	93%	0.934	85%	0.854	S	S	*	*			trans	-81.4	137.7	162.2	-92.5	-92.4	0	0	0	109.7
4	A	34.7	Very low	35.9	Very low	98 Å²	98	160.4 Å²	160.4	81%	0.81	84%	0.841	S	S	*	*			trans	-69.1	132.5	177	0	0	0	0	0	111.7	S6	A4-S6 PolarHBondContact O-N 3.02Å
5	Q	34.1	Very low	36.1	Very low	191 Å²	191	162.1 Å²	162.1	89%	0.893	84%	0.843	S	S	*	*			trans	-79.1	115.4	171.4	-78.9	178.2	-22.1	0	0	109.8
6	S	36	Very low	36.8	Very low	102 Å²	102	162.6 Å²	162.6	71%	0.713	84%	0.839	S	S	*	*			trans	-78.2	122.7	166.9	44.7	0	0	0	0	109.9	A4 I8	A4-S6 PolarHBondContact O-N 3.02Å; S6-I8 PolarHBondContact O-N 3.21Å; S6-I8 VanDerWaalsContact O-N 3.12Å
7	H	35.6	Very low	37.9	Very low	190 Å²	190	159.4 Å²	159.4	88%	0.88	83%	0.834	S	S	*	*			trans	-71.3	99.5	168	-82.6	-64.5	0	0	0	109.8
8	I	36.8	Very low	39.6	Very low	144 Å²	144	158.7 Å²	158.7	74%	0.738	82%	0.819	S	S	*	*			trans	-89.6	97.5	159.5	-62.2	175.6	0	0	0	106.3	S6 A10	S6-I8 PolarHBondContact O-N 3.21Å; S6-I8 VanDerWaalsContact O-N 3.12Å; I8-A10 VanDerWaalsContact C-N 3.25Å; I8-A10 PolarHBondContact O-N 3.35Å
9	M	33.8	Very low	41.9	Very low	185 Å²	185	155.2 Å²	155.2	91%	0.911	80%	0.801	S	S	*	*			trans	-69	92.2	158.9	-81.5	-157.3	169.3	0	0	107.6	A11	M9-A11 PolarHBondContact O-N 2.96Å
10	A	34.7	Very low	44.4	Very low	84 Å²	84	154.3 Å²	154.3	69%	0.694	80%	0.796	S	S	*	*			trans	-64.9	100.3	164.6	0	0	0	0	0	107.6	I8 R12	I8-A10 VanDerWaalsContact C-N 3.25Å; I8-A10 PolarHBondContact O-N 3.35Å; A10-R12 PolarHBondContact O-N 2.83Å
11	A	36.7	Very low	46.9	Very low	89 Å²	89	147.3 Å²	147.3	74%	0.736	76%	0.76	S	S	*	*			trans	-54.5	106	163.7	0	0	0	0	0	107.7	M9 R13	M9-A11 PolarHBondContact O-N 2.96Å; A11-R13 PolarHBondContact O-N 2.78Å
12	R	36.6	Very low	49.8	Very low	219 Å²	219	142.9 Å²	142.9	83%	0.826	74%	0.737	S	S	*	*			trans	-64.1	86.6	163.5	-82.4	-175.8	173.9	-172.6	-1.2	107.1	A10 H14	A10-R12 PolarHBondContact O-N 2.83Å; R12-H14 PolarHBondContact O-N 3.39Å
13	R	37.9	Very low	52.8	Low	234 Å²	234	140.8 Å²	140.8	88%	0.883	71%	0.713	S	S	*	*			trans	-62.1	97.5	153.5	-81.5	-176.4	175	-172.2	-1.7	105.5	A11 Q15	A11-R13 PolarHBondContact O-N 2.78Å; R13-Q15 PolarHBondContact O-N 3.11Å
14	H	39.5	Very low	55.9	Low	143 Å²	143	131.3 Å²	131.3	66%	0.662	67%	0.672	S	S	*	*			trans	-58.6	98.8	158.1	-84.9	-77.8	0	0	0	106.3	R12 H16	R12-H14 PolarHBondContact O-N 3.39Å; H14-H16 PolarHBondContact O-N 3.34Å
15	Q	39.1	Very low	59	Low	186 Å²	186	134.6 Å²	134.6	87%	0.869	67%	0.67	S	S	*	*			trans	-59.1	97.4	152.6	-91.8	174.9	-29.8	0	0	105.3	R13 S17	R13-Q15 PolarHBondContact O-N 3.11Å; Q15-S17 PolarHBondContact O-N 2.62Å
16	H	47.1	Very low	62	Low	171 Å²	171	127.5 Å²	127.5	79%	0.792	64%	0.636	S	S	*	*			trans	-62.9	94.8	157.6	-88.2	14	0	0	0	105.7	H14 R18	H14-H16 PolarHBondContact O-N 3.34Å; H16-R18 PolarHBondContact O-N 2.78Å
17	S	56.4	Low	64.9	Low	108 Å²	108	122.9 Å²	122.9	76%	0.755	60%	0.604	S	S	*	*			trans	-54.9	109.3	159.7	54.7	0	0	0	0	105.7	Q15 L19	Q15-S17 PolarHBondContact O-N 2.62Å; S17-L19 PolarHBondContact O-N 3.47Å
18	R	67.7	Low	67.9	Low	147 Å²	147	117.6 Å²	117.6	56%	0.555	59%	0.588	S	S	*	*			trans	-51.1	118.9	174.9	-163.6	173.3	-172.2	-160.9	-8.3	106.9	H16 I20 D213	H16-R18 PolarHBondContact O-N 2.78Å; R18-I20 WeakPolarHBondContact O-CG1 3.25Å; R18-I20 PolarHBondContact O-N 2.79Å; R18-I20 VanDerWaalsContact O-N 3.1Å; R18-D213 IonicContact NE-OD2 3.25Å; R18-D213 PolarHBondContact NE-OD2 3.07Å
19	L	84.2	Confident	70.8	Confident	92 Å²	92	114.8 Å²	114.8	48%	0.482	58%	0.575	S	S	.	*			trans	-64.5	115.7	-176.6	-165.2	146.6	0	0	0	107.5	S17 I21 R249 R250	S17-L19 PolarHBondContact O-N 3.47Å; L19-I21 HydrophobicContact CD2-CD1 3.65Å; L19-R249 HydrophobicContact CD2-CB 3.97Å; L19-R250 VanDerWaalsContact O-CD 3.29Å; L19-R250 WeakPolarHBondContact O-CD 3.47Å
20	I	91.4	Very high	73.9	Confident	136 Å²	136	106.7 Å²	106.7	70%	0.697	54%	0.535	S	S	*	.			trans	-88.4	129	-177.8	-56.8	-179.3	0	0	0	107.6	R18	R18-I20 WeakPolarHBondContact O-CG1 3.25Å; R18-I20 PolarHBondContact O-N 2.79Å; R18-I20 VanDerWaalsContact O-N 3.1Å
21	I	97.3	Very high	76.9	Confident	8 Å²	8	105 Å²	105	4%	0.041	52%	0.517	C	S	.	.			trans	-92	132.1	170.2	-55.1	-61	0	0	0	107.5	L19 L205 N245 R249 R250	L19-I21 HydrophobicContact CD2-CD1 3.65Å; I21-L205 HydrophobicContact CB-CD1 3.97Å; I21-L205 HydrophobicContact CG2-CD1 3.69Å; I21-N245 HydrophobicContact CG2-CB 3.93Å; I21-R249 HydrophobicContact CD1-CB 3.86Å; I21-R250 HydrophobicContact CD1-CB 4.32Å; I21-R250 HydrophobicContact CG1-CB 4.29Å
22	E	97.9	Very high	79.9	Confident	156 Å²	156	105.7 Å²	105.7	73%	0.729	51%	0.505	S	S	*	.			trans	-107.9	161.6	173.7	-63.5	-179.1	167.2	0	0	109.6	D24	E22-D24 PolarHBondContact O-N 3.27Å
23	V	98.6	Very high	82.8	Confident	60 Å²	60	95.3 Å²	95.3	36%	0.364	47%	0.466	S	S	.	.			trans	-62.3	131.2	175.5	176.5	0	0	0	0	109.3	Q202 L205	V23-Q202 HydrophobicContact CG2-CB 4.01Å; V23-Q202 VanDerWaalsContact CG2-OE1 3.26Å; V23-L205 HydrophobicContact CG2-CD2 3.68Å
24	D	98.6	Very high	85.7	Confident	14 Å²	14	85.7 Å²	85.7	8%	0.075	43%	0.43	C	S	.	.			trans	-71.8	140.1	-180	-158.2	-74.4	0	0	0	110.8	E22 Y26 S27 Y37 V241 E242 N245	E22-D24 PolarHBondContact O-N 3.27Å; D24-Y26 PolarHBondContact O-N 3.36Å; D24-Y26 VanDerWaalsContact O-N 3.14Å; D24-Y26 PolarHBondContact OD1-N 2.7Å; D24-S27 WeakPolarHBondContact O-CB 3.38Å; D24-S27 PolarHBondContact O-N 2.66Å; D24-Y37 VanDerWaalsContact OD2-CE2 3.28Å; D24-Y37 WeakPolarHBondContact OD2-CE2 3.42Å; D24-Y37 VanDerWaalsContact OD2-CZ 3.25Å; D24-Y37 PolarHBondContact OD2-OH 3.42Å; D24-V241 HydrophobicContact CB-CB 4.3Å; D24-V241 HydrophobicContact CB-CG1 3.5Å; D24-V241 VanDerWaalsContact CB-CG1 3.5Å; D24-V241 VanDerWaalsContact CG-CG1 3.48Å; D24-E242 WeakPolarHBondContact CB-OE1 3.42Å; D24-E242 PolarHBondContact N-OE1 2.86Å; D24-N245 PolarHBondContact OD2-ND2 2.75Å
25	E	98.2	Very high	88.5	Confident	167 Å²	167	82 Å²	82	78%	0.78	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.8	174.3	-173.6	-178.7	-177.3	0	0	111.6
26	Y	97.9	Very high	91.4	Very high	42 Å²	42	76.5 Å²	76.5	17%	0.165	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	13.8	178.3	-58.6	-82.5	0	0	0	113.6	D24 S28 N29 Q32 A33 F36	D24-Y26 PolarHBondContact O-N 3.36Å; D24-Y26 VanDerWaalsContact O-N 3.14Å; D24-Y26 PolarHBondContact OD1-N 2.7Å; Y26-S28 PolarHBondContact O-N 3.39Å; Y26-S28 VanDerWaalsContact O-N 3.14Å; Y26-N29 CarbonylContact O-C 3.35Å; Y26-N29 PolarHBondContact O-N 3.05Å; Y26-Q32 HydrophobicContact CD1-CB 4.21Å; Y26-Q32 HydrophobicContact CD1-CG 3.69Å; Y26-Q32 HydrophobicContact CE1-CG 3.82Å; Y26-A33 VanDerWaalsContact CB-CB 3.47Å; Y26-A33 HydrophobicContact CG-CB 4.41Å; Y26-F36 HydrophobicContact CD2-CB 4.39Å; Y26-F36 HydrophobicContact CD2-CD1 4.06Å; Y26-F36 HydrophobicContact CD2-CG 4.14Å; Y26-F36 HydrophobicContact CE2-CB 4.1Å; Y26-F36 AromaticContact CE2-CD1 3.64Å; Y26-F36 HydrophobicContact CE2-CD1 3.64Å; Y26-F36 AromaticContact CE2-CD2 3.68Å; Y26-F36 HydrophobicContact CE2-CD2 3.68Å; Y26-F36 AromaticContact CE2-CE1 3.93Å; Y26-F36 HydrophobicContact CE2-CE1 3.93Å; Y26-F36 AromaticContact CE2-CE2 3.96Å; Y26-F36 HydrophobicContact CE2-CE2 3.96Å; Y26-F36 AromaticContact CE2-CG 3.51Å; Y26-F36 HydrophobicContact CE2-CG 3.51Å; Y26-F36 HydrophobicContact CE2-CZ 4.09Å; Y26-F36 AromaticContact CZ-CD2 3.65Å; Y26-F36 AromaticContact CZ-CG 3.83Å; Y26-F36 VanDerWaalsContact OH-CD2 3.31Å; Y26-F36 WeakPolarHBondContact OH-CD2 3.37Å
27	S	98	Very high	93.8	Very high	6 Å²	6	69 Å²	69	4%	0.042	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-42.9	-175.5	177	0	0	0	0	113.2	D24 N29 R200 G201 E242	D24-S27 WeakPolarHBondContact O-CB 3.38Å; D24-S27 PolarHBondContact O-N 2.66Å; S27-N29 VanDerWaalsContact C-N 3.31Å; S27-N29 PolarHBondContact O-N 2.88Å; S27-R200 WeakPolarHBondContact O-CD 3.19Å; S27-G201 WeakPolarHBondContact OG-CA 3.42Å; S27-G201 PolarHBondContact OG-N 3.02Å; S27-E242 WeakPolarHBondContact CB-OE1 3.34Å; S27-E242 PolarHBondContact OG-OE1 3.18Å; S27-E242 PolarHBondContact OG-OE2 3.3Å
28	S	97.6	Very high	95.7	Very high	79 Å²	79	65.4 Å²	65.4	55%	0.552	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-13.9	-179.1	56.7	0	0	0	0	114.3	Y26 P30	Y26-S28 PolarHBondContact O-N 3.39Å; Y26-S28 VanDerWaalsContact O-N 3.14Å; S28-P30 WeakPolarHBondContact O-CD 3.48Å
29	N	98.1	Very high	97.2	Very high	85 Å²	85	64.5 Å²	64.5	46%	0.455	33%	0.333	S	S	.	.			trans	-126.9	72.2	-175.1	-68.7	-58.5	0	0	0	111.2	Y26 S27 T31 Q32 A33	Y26-N29 CarbonylContact O-C 3.35Å; Y26-N29 PolarHBondContact O-N 3.05Å; S27-N29 VanDerWaalsContact C-N 3.31Å; S27-N29 PolarHBondContact O-N 2.88Å; N29-T31 VanDerWaalsContact C-N 3.32Å; N29-T31 PolarHBondContact O-N 2.96Å; N29-Q32 HydrophobicContact CB-CB 3.92Å; N29-Q32 WeakPolarHBondContact O-CA 3.43Å; N29-Q32 WeakPolarHBondContact O-CB 3.45Å; N29-Q32 PolarHBondContact O-N 3.01Å; N29-A33 PolarHBondContact O-N 3.2Å
30	P	98.3	Very high	97.8	Very high	14 Å²	14	65 Å²	65	9%	0.091	34%	0.336	C	S	.	.	H	α-helix	trans	-55.3	-39.6	-173.8	21.4	-35.1	0	0	0	114.1	S28 Q32 A33 F34 L225 R237	S28-P30 WeakPolarHBondContact O-CD 3.48Å; P30-Q32 VanDerWaalsContact C-N 3.31Å; P30-Q32 PolarHBondContact O-N 2.95Å; P30-A33 WeakPolarHBondContact O-CB 3.25Å; P30-A33 PolarHBondContact O-N 2.89Å; P30-F34 WeakPolarHBondContact O-CB 3.44Å; P30-F34 PolarHBondContact O-N 3.29Å; P30-L225 HydrophobicContact CB-CD1 3.73Å; P30-L225 WeakPolarHBondContact O-CD1 3.46Å; P30-R237 HydrophobicContact CB-CB 4.21Å; P30-R237 WeakPolarHBondContact CG-O 3.31Å
31	T	98.6	Very high	98	Very high	50 Å²	50	63.6 Å²	63.6	31%	0.307	33%	0.327	S	S	.	.	H	α-helix	trans	-63.7	-37.4	177.1	-52	0	0	0	0	112.4	N29 T35 Q236 R237	N29-T31 VanDerWaalsContact C-N 3.32Å; N29-T31 PolarHBondContact O-N 2.96Å; T31-T35 PolarHBondContact O-N 3.42Å; T31-T35 VanDerWaalsContact O-N 3.11Å; T31-T35 PolarHBondContact O-OG1 2.93Å; T31-Q236 WeakPolarHBondContact OG1-CA 3.43Å; T31-Q236 WeakPolarHBondContact OG1-CB 3.46Å; T31-R237 PolarHBondContact OG1-N 3.04Å
32	Q	98.5	Very high	98	Very high	103 Å²	103	64.6 Å²	64.6	48%	0.481	34%	0.339	S	S	.	.	H	α-helix	trans	-72.2	-41.9	176	-169.3	178.8	8.1	0	0	110.7	Y26 N29 P30 F34 T35 F36	Y26-Q32 HydrophobicContact CD1-CB 4.21Å; Y26-Q32 HydrophobicContact CD1-CG 3.69Å; Y26-Q32 HydrophobicContact CE1-CG 3.82Å; N29-Q32 HydrophobicContact CB-CB 3.92Å; N29-Q32 WeakPolarHBondContact O-CA 3.43Å; N29-Q32 WeakPolarHBondContact O-CB 3.45Å; N29-Q32 PolarHBondContact O-N 3.01Å; P30-Q32 VanDerWaalsContact C-N 3.31Å; P30-Q32 PolarHBondContact O-N 2.95Å; Q32-F34 VanDerWaalsContact C-N 3.32Å; Q32-F34 PolarHBondContact O-N 2.78Å; Q32-T35 PolarHBondContact O-N 2.99Å; Q32-F36 WeakPolarHBondContact O-CB 3.39Å; Q32-F36 PolarHBondContact O-N 3.19Å
33	A	98.7	Very high	97.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-55.1	-48.6	173	0	0	0	0	0	111	Y26 N29 P30 T35 F36 Y37 L225 V241	Y26-A33 VanDerWaalsContact CB-CB 3.47Å; Y26-A33 HydrophobicContact CG-CB 4.41Å; N29-A33 PolarHBondContact O-N 3.2Å; P30-A33 WeakPolarHBondContact O-CB 3.25Å; P30-A33 PolarHBondContact O-N 2.89Å; A33-T35 VanDerWaalsContact C-N 3.35Å; A33-T35 PolarHBondContact O-N 3.14Å; A33-F36 PolarHBondContact O-N 2.87Å; A33-Y37 WeakPolarHBondContact O-CB 3.49Å; A33-Y37 WeakPolarHBondContact O-CD2 3.49Å; A33-Y37 PolarHBondContact O-N 3.13Å; A33-L225 HydrophobicContact CB-CD2 3.59Å; A33-V241 HydrophobicContact CB-CG1 4.27Å; A33-V241 HydrophobicContact CB-CG2 4Å
34	F	98.7	Very high	97.9	Very high	32 Å²	32	56.6 Å²	56.6	14%	0.14	30%	0.296	C	S	.	.	H	α-helix	trans	-54.8	-52.4	176.1	180	-90.3	0	0	0	110.6	P30 Q32 F36 Y37 N38 F44 L225 R237	P30-F34 WeakPolarHBondContact O-CB 3.44Å; P30-F34 PolarHBondContact O-N 3.29Å; Q32-F34 VanDerWaalsContact C-N 3.32Å; Q32-F34 PolarHBondContact O-N 2.78Å; F34-F36 PolarHBondContact O-N 2.8Å; F34-Y37 PolarHBondContact O-N 2.87Å; F34-N38 WeakPolarHBondContact O-CB 3.47Å; F34-N38 PolarHBondContact O-N 2.81Å; F34-F44 HydrophobicContact CB-CE2 4.39Å; F34-F44 HydrophobicContact CD2-CD1 4.15Å; F34-F44 AromaticContact CD2-CD2 3.5Å; F34-F44 HydrophobicContact CD2-CD2 3.5Å; F34-F44 VanDerWaalsContact CD2-CD2 3.5Å; F34-F44 HydrophobicContact CD2-CE1 4.17Å; F34-F44 AromaticContact CD2-CE2 3.52Å; F34-F44 HydrophobicContact CD2-CE2 3.52Å; F34-F44 AromaticContact CD2-CG 3.82Å; F34-F44 HydrophobicContact CD2-CG 3.82Å; F34-F44 AromaticContact CD2-CZ 3.86Å; F34-F44 HydrophobicContact CD2-CZ 3.86Å; F34-F44 HydrophobicContact CE2-CB 3.66Å; F34-F44 AromaticContact CE2-CD1 3.81Å; F34-F44 HydrophobicContact CE2-CD1 3.81Å; F34-F44 AromaticContact CE2-CD2 3.43Å; F34-F44 HydrophobicContact CE2-CD2 3.43Å; F34-F44 VanDerWaalsContact CE2-CD2 3.43Å; F34-F44 HydrophobicContact CE2-CE1 4.29Å; F34-F44 AromaticContact CE2-CE2 3.96Å; F34-F44 HydrophobicContact CE2-CE2 3.96Å; F34-F44 AromaticContact CE2-CG 3.34Å; F34-F44 HydrophobicContact CE2-CG 3.34Å; F34-F44 HydrophobicContact CE2-CZ 4.35Å; F34-F44 HydrophobicContact CG-CD2 4.13Å; F34-F44 HydrophobicContact CG-CE2 4.06Å; F34-F44 HydrophobicContact CZ-CB 3.85Å; F34-F44 AromaticContact CZ-CD2 4Å; F34-F44 HydrophobicContact CZ-CD2 4Å; F34-F44 AromaticContact CZ-CG 3.99Å; F34-F44 HydrophobicContact CZ-CG 3.99Å; F34-L225 HydrophobicContact CB-CD1 4.19Å; F34-R237 HydrophobicContact CB-CG 4.03Å; F34-R237 HydrophobicContact CD2-CG 4.43Å; F34-R237 HydrophobicContact CG-CG 4.16Å
35	T	98.4	Very high	97.7	Very high	66 Å²	66	59.9 Å²	59.9	41%	0.405	31%	0.311	S	S	.	.	H	α-helix	trans	-61.3	-46.9	-178.5	-57.2	0	0	0	0	111.8	T31 Q32 A33 N38 I39	T31-T35 PolarHBondContact O-N 3.42Å; T31-T35 VanDerWaalsContact O-N 3.11Å; T31-T35 PolarHBondContact O-OG1 2.93Å; Q32-T35 PolarHBondContact O-N 2.99Å; A33-T35 VanDerWaalsContact C-N 3.35Å; A33-T35 PolarHBondContact O-N 3.14Å; T35-N38 PolarHBondContact O-N 2.88Å; T35-I39 HydrophobicContact CG2-CD1 3.68Å; T35-I39 HydrophobicContact CG2-CG1 4.39Å; T35-I39 WeakPolarHBondContact O-CB 3.38Å; T35-I39 WeakPolarHBondContact O-CG1 3.44Å; T35-I39 PolarHBondContact O-N 2.9Å
36	F	98.5	Very high	97.5	Very high	70 Å²	70	56.4 Å²	56.4	31%	0.307	30%	0.303	S	S	.	.	H	α-helix	trans	-59	-50.7	179.3	175.7	-93.9	0	0	0	111.5	Y26 Q32 A33 F34 N38 I39 N40	Y26-F36 HydrophobicContact CD2-CB 4.39Å; Y26-F36 HydrophobicContact CD2-CD1 4.06Å; Y26-F36 HydrophobicContact CD2-CG 4.14Å; Y26-F36 HydrophobicContact CE2-CB 4.1Å; Y26-F36 AromaticContact CE2-CD1 3.64Å; Y26-F36 HydrophobicContact CE2-CD1 3.64Å; Y26-F36 AromaticContact CE2-CD2 3.68Å; Y26-F36 HydrophobicContact CE2-CD2 3.68Å; Y26-F36 AromaticContact CE2-CE1 3.93Å; Y26-F36 HydrophobicContact CE2-CE1 3.93Å; Y26-F36 AromaticContact CE2-CE2 3.96Å; Y26-F36 HydrophobicContact CE2-CE2 3.96Å; Y26-F36 AromaticContact CE2-CG 3.51Å; Y26-F36 HydrophobicContact CE2-CG 3.51Å; Y26-F36 HydrophobicContact CE2-CZ 4.09Å; Y26-F36 AromaticContact CZ-CD2 3.65Å; Y26-F36 AromaticContact CZ-CG 3.83Å; Y26-F36 VanDerWaalsContact OH-CD2 3.31Å; Y26-F36 WeakPolarHBondContact OH-CD2 3.37Å; Q32-F36 WeakPolarHBondContact O-CB 3.39Å; Q32-F36 PolarHBondContact O-N 3.19Å; A33-F36 PolarHBondContact O-N 2.87Å; F34-F36 PolarHBondContact O-N 2.8Å; F36-N38 VanDerWaalsContact C-N 3.31Å; F36-N38 PolarHBondContact O-N 2.91Å; F36-I39 PolarHBondContact O-N 3.03Å; F36-N40 VanDerWaalsContact CD2-ND2 3.27Å; F36-N40 WeakPolarHBondContact CD2-ND2 3.46Å; F36-N40 VanDerWaalsContact CE2-ND2 3.29Å; F36-N40 WeakPolarHBondContact CE2-ND2 3.47Å; F36-N40 WeakPolarHBondContact O-CB 3.44Å; F36-N40 PolarHBondContact O-N 3.28Å; F36-N40 PolarHBondContact O-ND2 3.24Å
37	Y	98.2	Very high	97.2	Very high	15 Å²	15	59.1 Å²	59.1	6%	0.059	33%	0.325	C	S	.	.	H	α-helix	trans	-67.1	-34.1	179.1	-79.9	-56.8	0	0	0	112.5	D24 A33 F34 Q41 G42 R43 V241 R249	D24-Y37 VanDerWaalsContact OD2-CE2 3.28Å; D24-Y37 WeakPolarHBondContact OD2-CE2 3.42Å; D24-Y37 VanDerWaalsContact OD2-CZ 3.25Å; D24-Y37 PolarHBondContact OD2-OH 3.42Å; A33-Y37 WeakPolarHBondContact O-CB 3.49Å; A33-Y37 WeakPolarHBondContact O-CD2 3.49Å; A33-Y37 PolarHBondContact O-N 3.13Å; F34-Y37 PolarHBondContact O-N 2.87Å; Y37-Q41 WeakPolarHBondContact O-CA 3.47Å; Y37-Q41 WeakPolarHBondContact O-CB 3.47Å; Y37-Q41 PolarHBondContact O-N 3.13Å; Y37-G42 PolarHBondContact O-N 3.22Å; Y37-R43 PolarHBondContact O-N 3.03Å; Y37-V241 HydrophobicContact CE2-CG1 4.5Å; Y37-R249 PolarHBondContact OH-NH2 3.41Å
38	N	97.4	Very high	96.7	Very high	32 Å²	32	65.3 Å²	65.3	17%	0.171	35%	0.354	C	S	.	.	H	α-helix	trans	-69.1	-44.2	178.4	-153.4	27.5	0	0	0	112	F34 T35 F36 G42 F44 Q45	F34-N38 WeakPolarHBondContact O-CB 3.47Å; F34-N38 PolarHBondContact O-N 2.81Å; T35-N38 PolarHBondContact O-N 2.88Å; F36-N38 VanDerWaalsContact C-N 3.31Å; F36-N38 PolarHBondContact O-N 2.91Å; N38-G42 VanDerWaalsContact O-CA 3.23Å; N38-G42 WeakPolarHBondContact O-CA 3.5Å; N38-G42 PolarHBondContact O-N 2.92Å; N38-F44 HydrophobicContact CB-CD2 3.99Å; N38-F44 PolarHBondContact OD1-N 3.41Å; N38-Q45 PolarHBondContact ND2-NE2 2.87Å; N38-Q45 WeakPolarHBondContact OD1-CG 3.24Å; N38-Q45 PolarHBondContact OD1-NE2 3.24Å
39	I	97.4	Very high	96.7	Very high	128 Å²	128	62.1 Å²	62.1	66%	0.656	33%	0.331	S	S	*	.	H	α-helix	trans	-68.2	-46	179.8	-70.1	172.7	0	0	0	111.2	T35 F36	T35-I39 HydrophobicContact CG2-CD1 3.68Å; T35-I39 HydrophobicContact CG2-CG1 4.39Å; T35-I39 WeakPolarHBondContact O-CB 3.38Å; T35-I39 WeakPolarHBondContact O-CG1 3.44Å; T35-I39 PolarHBondContact O-N 2.9Å; F36-I39 PolarHBondContact O-N 3.03Å
40	N	97.8	Very high	96.6	Very high	101 Å²	101	63.6 Å²	63.6	54%	0.54	34%	0.335	S	S	.	.	H	α-helix	trans	-87.2	-23.4	-170.3	-66.7	-64.9	0	0	0	113.9	F36	F36-N40 VanDerWaalsContact CD2-ND2 3.27Å; F36-N40 WeakPolarHBondContact CD2-ND2 3.46Å; F36-N40 VanDerWaalsContact CE2-ND2 3.29Å; F36-N40 WeakPolarHBondContact CE2-ND2 3.47Å; F36-N40 WeakPolarHBondContact O-CB 3.44Å; F36-N40 PolarHBondContact O-N 3.28Å; F36-N40 PolarHBondContact O-ND2 3.24Å
41	Q	96.1	Very high	96.6	Very high	108 Å²	108	68.7 Å²	68.7	51%	0.505	36%	0.359	S	S	.	.	H	α-helix	trans	-129.7	-5.4	-172.3	-55.3	176.1	6.3	0	0	113.2	Y37 R43	Y37-Q41 WeakPolarHBondContact O-CA 3.47Å; Y37-Q41 WeakPolarHBondContact O-CB 3.47Å; Y37-Q41 PolarHBondContact O-N 3.13Å; Q41-R43 HydrophobicContact CB-CB 4.27Å; Q41-R43 PolarHBondContact O-N 3.26Å
42	G	95.8	Very high	96.5	Very high	28 Å²	28	68.9 Å²	68.9	29%	0.289	36%	0.36	S	S	.	.			trans	58.8	24.9	-171.1	0	0	0	0	0	112.6	Y37 N38 F44 Q45	Y37-G42 PolarHBondContact O-N 3.22Å; N38-G42 VanDerWaalsContact O-CA 3.23Å; N38-G42 WeakPolarHBondContact O-CA 3.5Å; N38-G42 PolarHBondContact O-N 2.92Å; G42-F44 PolarHBondContact O-N 3.02Å; G42-Q45 WeakPolarHBondContact O-CB 3.34Å; G42-Q45 PolarHBondContact O-N 2.71Å
43	R	97	Very high	96.4	Very high	28 Å²	28	71.2 Å²	71.2	11%	0.106	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.2	-164.2	-166.2	172.9	-177.6	-179.7	-1.2	114.3	Y37 Q41 V49 N245 Q248	Y37-R43 PolarHBondContact O-N 3.03Å; Q41-R43 HydrophobicContact CB-CB 4.27Å; Q41-R43 PolarHBondContact O-N 3.26Å; R43-V49 WeakPolarHBondContact O-CG2 3.12Å; R43-N245 PolarHBondContact NH1-OD1 3.2Å; R43-N245 PolarHBondContact NH2-OD1 3.34Å; R43-Q248 VanDerWaalsContact CZ-OE1 3.26Å
44	F	97.5	Very high	96.2	Very high	20 Å²	20	73.8 Å²	73.8	9%	0.088	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	20.9	-180	-47.3	-78.4	0	0	0	112.4	F34 N38 G42 L225 F227 L244	F34-F44 HydrophobicContact CB-CE2 4.39Å; F34-F44 HydrophobicContact CD2-CD1 4.15Å; F34-F44 AromaticContact CD2-CD2 3.5Å; F34-F44 HydrophobicContact CD2-CD2 3.5Å; F34-F44 VanDerWaalsContact CD2-CD2 3.5Å; F34-F44 HydrophobicContact CD2-CE1 4.17Å; F34-F44 AromaticContact CD2-CE2 3.52Å; F34-F44 HydrophobicContact CD2-CE2 3.52Å; F34-F44 AromaticContact CD2-CG 3.82Å; F34-F44 HydrophobicContact CD2-CG 3.82Å; F34-F44 AromaticContact CD2-CZ 3.86Å; F34-F44 HydrophobicContact CD2-CZ 3.86Å; F34-F44 HydrophobicContact CE2-CB 3.66Å; F34-F44 AromaticContact CE2-CD1 3.81Å; F34-F44 HydrophobicContact CE2-CD1 3.81Å; F34-F44 AromaticContact CE2-CD2 3.43Å; F34-F44 HydrophobicContact CE2-CD2 3.43Å; F34-F44 VanDerWaalsContact CE2-CD2 3.43Å; F34-F44 HydrophobicContact CE2-CE1 4.29Å; F34-F44 AromaticContact CE2-CE2 3.96Å; F34-F44 HydrophobicContact CE2-CE2 3.96Å; F34-F44 AromaticContact CE2-CG 3.34Å; F34-F44 HydrophobicContact CE2-CG 3.34Å; F34-F44 HydrophobicContact CE2-CZ 4.35Å; F34-F44 HydrophobicContact CG-CD2 4.13Å; F34-F44 HydrophobicContact CG-CE2 4.06Å; F34-F44 HydrophobicContact CZ-CB 3.85Å; F34-F44 AromaticContact CZ-CD2 4Å; F34-F44 HydrophobicContact CZ-CD2 4Å; F34-F44 AromaticContact CZ-CG 3.99Å; F34-F44 HydrophobicContact CZ-CG 3.99Å; N38-F44 HydrophobicContact CB-CD2 3.99Å; N38-F44 PolarHBondContact OD1-N 3.41Å; G42-F44 PolarHBondContact O-N 3.02Å; F44-L225 HydrophobicContact CZ-CD2 4.28Å; F44-L225 HydrophobicContact CZ-CG 4.35Å; F44-F227 HydrophobicContact CD1-CE2 4.2Å; F44-F227 HydrophobicContact CE1-CE2 4.09Å; F44-L244 HydrophobicContact CE1-CD2 3.78Å; F44-L244 HydrophobicContact CZ-CD2 3.67Å
45	Q	95.4	Very high	96	Very high	84 Å²	84	74 Å²	74	39%	0.393	40%	0.396	S	S	.	.			trans	-97.1	152.2	-178	-63.7	-64.1	-24.3	0	0	112.4	N38 G42 H48 V49	N38-Q45 PolarHBondContact ND2-NE2 2.87Å; N38-Q45 WeakPolarHBondContact OD1-CG 3.24Å; N38-Q45 PolarHBondContact OD1-NE2 3.24Å; G42-Q45 WeakPolarHBondContact O-CB 3.34Å; G42-Q45 PolarHBondContact O-N 2.71Å; Q45-H48 PolarHBondContact O-N 3.05Å; Q45-V49 PolarHBondContact O-N 2.7Å; Q45-V49 VanDerWaalsContact O-N 3.11Å
46	P	93.8	Very high	96	Very high	93 Å²	93	74.6 Å²	74.6	60%	0.604	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	156.2	164.9	29.5	-34.6	0	0	0	111.1
47	P	90.6	Very high	96	Very high	99 Å²	99	75 Å²	75	64%	0.643	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	cis	-85.2	-4.5	4	35.1	-36.3	0	0	0	114
48	H	88.8	Confident	95.8	Very high	137 Å²	137	81.2 Å²	81.2	63%	0.634	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-41.1	-172.9	-59.7	-58	0	0	0	112.5	Q45 D270	Q45-H48 PolarHBondContact O-N 3.05Å; H48-D270 CarbonylContact O-C 3.53Å; H48-D270 WeakPolarHBondContact O-CA 3.21Å
49	V	96.8	Very high	95.8	Very high	12 Å²	12	80.9 Å²	80.9	7%	0.073	44%	0.44	C	S	.	.	S	Bend	trans	-105.3	127.3	176.5	179.6	0	0	0	0	110.5	R43 Q45 F227 M268 A269 D270	R43-V49 WeakPolarHBondContact O-CG2 3.12Å; Q45-V49 PolarHBondContact O-N 2.7Å; Q45-V49 VanDerWaalsContact O-N 3.11Å; V49-F227 HydrophobicContact CG1-CE1 3.93Å; V49-F227 HydrophobicContact CG1-CZ 4.34Å; V49-F227 HydrophobicContact CG2-CE1 4.38Å; V49-F227 HydrophobicContact CG2-CZ 4.13Å; V49-M268 HydrophobicContact CG1-CE 3.43Å; V49-M268 VanDerWaalsContact CG1-CE 3.43Å; V49-A269 VanDerWaalsContact CA-O 3.32Å; V49-A269 WeakPolarHBondContact CA-O 3.5Å; V49-D270 HydrophobicContact CG2-CB 4.06Å
50	Q	97.3	Very high	95.8	Very high	115 Å²	115	80.4 Å²	80.4	54%	0.537	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	156.6	-179.8	62.1	-171.5	-23.8	0	0	112.3	V52 M268 A269	Q50-V52 HydrophobicContact CG-CG2 4.43Å; Q50-M268 CarbonylContact O-C 3.58Å; Q50-M268 VanDerWaalsContact O-CA 3.26Å; Q50-M268 WeakPolarHBondContact O-CA 3.45Å; Q50-A269 PolarHBondContact N-O 2.86Å; Q50-A269 VanDerWaalsContact N-O 3.09Å; Q50-A269 PolarHBondContact O-N 3.44Å
51	M	97.9	Very high	95.8	Very high	121 Å²	121	78.2 Å²	78.2	60%	0.596	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	147.8	163.3	-64.3	-61	-62.1	0	0	109.4	L228 V267 M268	M51-L228 HydrophobicContact CE-CD2 4.12Å; M51-L228 HydrophobicContact SD-CD2 4.25Å; M51-V267 WeakPolarHBondContact CE-O 3.4Å; M51-M268 HydrophobicContact CE-CG 4.35Å; M51-M268 HydrophobicContact SD-CG 3.36Å; M51-M268 WeakPolarHBondContact SD-CG 3.32Å; M51-M268 HydrophobicContact SD-SD 3.96Å
52	V	96.8	Very high	95.8	Very high	55 Å²	55	75.4 Å²	75.4	33%	0.333	42%	0.422	S	S	.	.			trans	-127.8	136.8	177.5	-178.8	0	0	0	0	108.1	Q50 V267 A269	Q50-V52 HydrophobicContact CG-CG2 4.43Å; V52-V267 HydrophobicContact CB-CB 4.28Å; V52-V267 HydrophobicContact CB-CG1 3.98Å; V52-V267 HydrophobicContact CG1-CG1 4.47Å; V52-V267 PolarHBondContact N-O 3.24Å; V52-V267 WeakPolarHBondContact O-CB 3.33Å; V52-A269 HydrophobicContact CG2-CB 3.74Å
53	D	95.8	Very high	95.9	Very high	152 Å²	152	80.2 Å²	80.2	81%	0.813	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-74.9	132.8	172	-67.8	-39.4	0	0	0	109.6
54	P	93.6	Very high	95.8	Very high	53 Å²	53	81.8 Å²	81.8	34%	0.344	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-66.2	158.6	175.9	30.1	-35.6	0	0	0	111	P56 V267 I292	P54-P56 WeakPolarHBondContact O-CD 3.47Å; P54-V267 HydrophobicContact CB-CG2 4.26Å; P54-I292 HydrophobicContact CB-CG2 4Å
55	V	95.9	Very high	95.9	Very high	38 Å²	38	85 Å²	85	23%	0.23	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-65.3	127.1	176.3	179.6	0	0	0	0	109.2	A59 V293	V55-A59 HydrophobicContact CG1-CB 3.83Å; V55-V293 HydrophobicContact CB-CB 4.12Å; V55-V293 HydrophobicContact CB-CG1 4Å; V55-V293 WeakPolarHBondContact CB-O 3.47Å; V55-V293 HydrophobicContact CG1-CG1 4.23Å; V55-V293 PolarHBondContact N-O 3.06Å; V55-V293 VanDerWaalsContact N-O 3.13Å
56	P	97.3	Very high	96	Very high	78 Å²	78	81 Å²	81	51%	0.506	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-58.1	143.1	174.6	-24.3	33.7	0	0	0	111.6	P54 D58 A59	P54-P56 WeakPolarHBondContact O-CD 3.47Å; P56-D58 WeakPolarHBondContact CB-OD1 3.43Å; P56-D58 PolarHBondContact O-N 3.19Å; P56-A59 HydrophobicContact CB-CB 4.14Å; P56-A59 HydrophobicContact CG-CB 4.42Å; P56-A59 VanDerWaalsContact O-CB 3.25Å; P56-A59 WeakPolarHBondContact O-CB 3.5Å; P56-A59 PolarHBondContact O-N 2.89Å
57	H	97.8	Very high	96.2	Very high	77 Å²	77	76.7 Å²	76.7	36%	0.356	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-28.3	-174.3	-67.3	-178.1	0	0	0	113.7	P84 P291	H57-P84 HydrophobicContact CB-CB 3.95Å; H57-P291 PolarHBondContact NE2-O 2.93Å
58	D	95.7	Very high	96.6	Very high	147 Å²	147	72 Å²	72	79%	0.786	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-6.2	177.6	64.7	-19.9	0	0	0	113.5	P56	P56-D58 WeakPolarHBondContact CB-OD1 3.43Å; P56-D58 PolarHBondContact O-N 3.19Å
59	A	97.1	Very high	97.1	Very high	24 Å²	24	65.5 Å²	65.5	20%	0.198	38%	0.377	C	S	.	.	S	Bend	trans	-64.8	133.4	179.9	0	0	0	0	0	110.5	V55 P56 K61 R67	V55-A59 HydrophobicContact CG1-CB 3.83Å; P56-A59 HydrophobicContact CB-CB 4.14Å; P56-A59 HydrophobicContact CG-CB 4.42Å; P56-A59 VanDerWaalsContact O-CB 3.25Å; P56-A59 WeakPolarHBondContact O-CB 3.5Å; P56-A59 PolarHBondContact O-N 2.89Å; A59-K61 PolarHBondContact O-N 2.94Å; A59-R67 PolarHBondContact O-NH1 3.49Å; A59-R67 PolarHBondContact O-NH2 2.96Å
60	P	97	Very high	97.2	Very high	118 Å²	118	65 Å²	65	77%	0.766	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-63	131.2	178.4	26.3	-33.7	0	0	0	110.2	P62	P60-P62 WeakPolarHBondContact O-CD 3.43Å
61	K	97.6	Very high	97.3	Very high	56 Å²	56	59.5 Å²	59.5	24%	0.243	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-67.5	125.3	175.3	-171.4	178.8	73.7	-171	0	109.9	A59 Y65 R67 Y85 D87	A59-K61 PolarHBondContact O-N 2.94Å; K61-Y65 WeakPolarHBondContact CE-O 3.34Å; K61-R67 VanDerWaalsContact CA-NH2 3.33Å; K61-R67 HydrophobicContact CD-CB 3.45Å; K61-R67 VanDerWaalsContact CD-CB 3.45Å; K61-R67 HydrophobicContact CG-CB 4.13Å; K61-Y85 PolarHBondContact NZ-OH 3.4Å; K61-D87 WeakPolarHBondContact CD-OD2 3.46Å; K61-D87 IonicContact NZ-OD1 3.52Å; K61-D87 PolarHBondContact NZ-OD1 3.2Å; K61-D87 IonicContact NZ-OD2 3.65Å; K61-D87 PolarHBondContact NZ-OD2 3.31Å
62	P	96.8	Very high	97.4	Very high	49 Å²	49	53.7 Å²	53.7	32%	0.318	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-60.3	144.8	179.2	-24	33.9	0	0	0	112.6	P60 G64 Y65 D295	P60-P62 WeakPolarHBondContact O-CD 3.43Å; P62-G64 PolarHBondContact O-N 2.88Å; P62-Y65 HydrophobicContact CB-CD1 4.4Å; P62-Y65 HydrophobicContact CB-CD2 3.69Å; P62-Y65 HydrophobicContact CB-CE2 4.02Å; P62-Y65 HydrophobicContact CB-CG 3.92Å; P62-Y65 HydrophobicContact CG-CD1 4.41Å; P62-Y65 HydrophobicContact CG-CG 4.35Å; P62-Y65 WeakPolarHBondContact O-CB 3.22Å; P62-Y65 PolarHBondContact O-N 3.03Å; P62-D295 VanDerWaalsContact CD-OD2 3.25Å; P62-D295 WeakPolarHBondContact CD-OD2 3.41Å
63	P	96.6	Very high	97.4	Very high	129 Å²	129	51.1 Å²	51.1	84%	0.838	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	134.4	174.9	-24.2	33.9	0	0	0	112.2	Y65	P63-Y65 VanDerWaalsContact C-N 3.34Å; P63-Y65 WeakPolarHBondContact O-CD2 3.38Å
64	G	96.5	Very high	97.6	Very high	60 Å²	60	43.9 Å²	43.9	62%	0.619	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	17	-179.5	0	0	0	0	0	114.8	P62 T298	P62-G64 PolarHBondContact O-N 2.88Å; G64-T298 WeakPolarHBondContact O-CB 3.49Å; G64-T298 PolarHBondContact O-N 2.99Å; G64-T298 PolarHBondContact O-OG1 2.99Å
65	Y	98.1	Very high	97.8	Very high	87 Å²	87	41.5 Å²	41.5	34%	0.341	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	150.9	173.6	-74.2	-127	0	0	0	110.7	K61 P62 P63 D295 L296 P297 T298	K61-Y65 WeakPolarHBondContact CE-O 3.34Å; P62-Y65 HydrophobicContact CB-CD1 4.4Å; P62-Y65 HydrophobicContact CB-CD2 3.69Å; P62-Y65 HydrophobicContact CB-CE2 4.02Å; P62-Y65 HydrophobicContact CB-CG 3.92Å; P62-Y65 HydrophobicContact CG-CD1 4.41Å; P62-Y65 HydrophobicContact CG-CG 4.35Å; P62-Y65 WeakPolarHBondContact O-CB 3.22Å; P62-Y65 PolarHBondContact O-N 3.03Å; P63-Y65 VanDerWaalsContact C-N 3.34Å; P63-Y65 WeakPolarHBondContact O-CD2 3.38Å; Y65-D295 HydrophobicContact CD1-CB 3.89Å; Y65-L296 CarbonylContact C-O 3.57Å; Y65-L296 WeakPolarHBondContact CA-O 3.46Å; Y65-L296 VanDerWaalsContact CD1-C 3.44Å; Y65-P297 HydrophobicContact CD1-CG 4.22Å; Y65-P297 HydrophobicContact CE1-CB 4.42Å; Y65-P297 HydrophobicContact CE1-CG 3.65Å; Y65-P297 HydrophobicContact CE2-CB 4.39Å; Y65-P297 HydrophobicContact CE2-CG 4.27Å; Y65-T298 WeakPolarHBondContact CA-OG1 3.47Å
66	T	98.5	Very high	98	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.8	168.2	-62.2	0	0	0	0	108.4	F68 D87 V88 F180 L296 T298	T66-F68 HydrophobicContact CG2-CD2 4.31Å; T66-F68 HydrophobicContact CG2-CE1 4.37Å; T66-F68 HydrophobicContact CG2-CE2 3.71Å; T66-F68 HydrophobicContact CG2-CZ 3.75Å; T66-D87 WeakPolarHBondContact CA-OD2 3.49Å; T66-D87 HydrophobicContact CG2-CB 3.97Å; T66-V88 HydrophobicContact CG2-CG2 4.03Å; T66-F180 HydrophobicContact CG2-CE2 4.17Å; T66-F180 WeakPolarHBondContact OG1-CE2 3.45Å; T66-L296 PolarHBondContact N-O 2.8Å; T66-L296 PolarHBondContact O-N 3.21Å; T66-T298 PolarHBondContact N-OG1 3Å; T66-T298 VanDerWaalsContact N-OG1 3.13Å; T66-T298 PolarHBondContact OG1-OG1 3.28Å
67	R	98.7	Very high	98	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.015	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	115.9	178.4	179.6	161.7	-73.2	-173.9	-2.1	110.7	A59 K61 Y85 D87 V88 V293 D295	A59-R67 PolarHBondContact O-NH1 3.49Å; A59-R67 PolarHBondContact O-NH2 2.96Å; K61-R67 VanDerWaalsContact CA-NH2 3.33Å; K61-R67 HydrophobicContact CD-CB 3.45Å; K61-R67 VanDerWaalsContact CD-CB 3.45Å; K61-R67 HydrophobicContact CG-CB 4.13Å; R67-Y85 WeakPolarHBondContact CD-O 3.45Å; R67-D87 PolarHBondContact N-OD2 2.88Å; R67-D87 PolarHBondContact O-N 3.01Å; R67-V88 PolarHBondContact O-N 3.17Å; R67-V293 VanDerWaalsContact CD-CG1 3.4Å; R67-V293 HydrophobicContact CG-CG1 3.49Å; R67-V293 VanDerWaalsContact CG-CG1 3.49Å; R67-D295 VanDerWaalsContact CA-OD1 3.32Å; R67-D295 WeakPolarHBondContact CA-OD1 3.42Å; R67-D295 WeakPolarHBondContact CB-OD1 3.38Å; R67-D295 VanDerWaalsContact CG-OD1 3.24Å; R67-D295 WeakPolarHBondContact CG-OD1 3.46Å; R67-D295 IonicContact CZ-OD1 3.55Å; R67-D295 IonicContact CZ-OD2 3.98Å; R67-D295 IonicContact NE-OD1 3.47Å; R67-D295 PolarHBondContact NE-OD1 2.81Å; R67-D295 IonicContact NE-OD2 3.36Å; R67-D295 PolarHBondContact NE-OD2 3Å; R67-D295 IonicContact NH2-OD1 2.78Å; R67-D295 IonicContact NH2-OD2 3.28Å; R67-D295 PolarHBondContact NH2-OD2 2.96Å
68	F	98.9	Very high	98	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	130.1	174.5	-64.1	-89.3	0	0	0	109.8	T66 V88 I90 F180 I182 I217 V293 I294 L296	T66-F68 HydrophobicContact CG2-CD2 4.31Å; T66-F68 HydrophobicContact CG2-CE1 4.37Å; T66-F68 HydrophobicContact CG2-CE2 3.71Å; T66-F68 HydrophobicContact CG2-CZ 3.75Å; F68-V88 CarbonylContact C-O 3.31Å; F68-V88 WeakPolarHBondContact CA-O 3.36Å; F68-V88 HydrophobicContact CD1-CB 3.71Å; F68-V88 HydrophobicContact CD1-CG1 3.89Å; F68-V88 HydrophobicContact CD1-CG2 4.44Å; F68-V88 HydrophobicContact CE1-CB 3.81Å; F68-V88 HydrophobicContact CE1-CG1 3.9Å; F68-V88 HydrophobicContact CE1-CG2 4.09Å; F68-I90 HydrophobicContact CB-CD1 4.49Å; F68-I90 HydrophobicContact CD1-CD1 3.74Å; F68-I90 HydrophobicContact CD1-CG1 4.33Å; F68-I90 HydrophobicContact CE1-CD1 4.45Å; F68-I90 HydrophobicContact CG-CD1 4.44Å; F68-F180 HydrophobicContact CE2-CD2 4.43Å; F68-F180 HydrophobicContact CE2-CE1 4.22Å; F68-F180 HydrophobicContact CE2-CE2 4.05Å; F68-F180 AromaticContact CE2-CZ 3.9Å; F68-F180 HydrophobicContact CE2-CZ 3.9Å; F68-F180 HydrophobicContact CZ-CD1 4.28Å; F68-F180 AromaticContact CZ-CD2 3.8Å; F68-F180 HydrophobicContact CZ-CD2 3.8Å; F68-F180 HydrophobicContact CZ-CE1 4.31Å; F68-F180 AromaticContact CZ-CE2 3.86Å; F68-F180 HydrophobicContact CZ-CE2 3.86Å; F68-F180 HydrophobicContact CZ-CG 4Å; F68-F180 HydrophobicContact CZ-CZ 4.09Å; F68-I182 HydrophobicContact CE1-CD1 4.22Å; F68-I217 HydrophobicContact CD1-CD1 4.03Å; F68-I217 HydrophobicContact CD2-CD1 4.44Å; F68-I217 HydrophobicContact CE1-CD1 3.42Å; F68-I217 VanDerWaalsContact CE1-CD1 3.42Å; F68-I217 HydrophobicContact CE2-CD1 3.9Å; F68-I217 HydrophobicContact CG-CD1 4.5Å; F68-I217 HydrophobicContact CZ-CD1 3.35Å; F68-V293 WeakPolarHBondContact O-CA 3.29Å; F68-I294 PolarHBondContact N-O 3.41Å; F68-I294 PolarHBondContact O-N 3.25Å; F68-L296 HydrophobicContact CD2-CB 4.43Å; F68-L296 HydrophobicContact CD2-CD1 4.17Å; F68-L296 HydrophobicContact CD2-CG 4.23Å; F68-L296 HydrophobicContact CE2-CB 4.05Å; F68-L296 HydrophobicContact CE2-CD1 3.89Å; F68-L296 HydrophobicContact CE2-CG 4.17Å
69	V	98.9	Very high	98	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	118.4	170	-178.3	0	0	0	0	107.1	M83 P84 V88 L89 I90 Y116 P291	V69-M83 HydrophobicContact CG1-CE 3.93Å; V69-P84 HydrophobicContact CG1-CG 3.85Å; V69-P84 HydrophobicContact CG2-CG 4.12Å; V69-V88 PolarHBondContact N-O 3.09Å; V69-L89 HydrophobicContact CB-CD1 4.16Å; V69-L89 HydrophobicContact CG1-CD1 4.04Å; V69-L89 CarbonylContact O-C 3.39Å; V69-L89 WeakPolarHBondContact O-CA 3.41Å; V69-L89 WeakPolarHBondContact O-CD1 3.39Å; V69-I90 PolarHBondContact O-N 3.39Å; V69-Y116 HydrophobicContact CB-CE1 4.31Å; V69-Y116 HydrophobicContact CG2-CE1 3.72Å; V69-P291 HydrophobicContact CG1-CB 3.71Å
70	C	98.9	Very high	98	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125.4	-173.3	-52.6	0	0	0	0	109.5	V257 V276 A278 I292	C70-V257 HydrophobicContact CB-CG1 3.92Å; C70-V276 HydrophobicContact CB-CG1 4Å; C70-A278 HydrophobicContact CB-CB 4.01Å; C70-I292 HydrophobicContact CB-CB 4.34Å; C70-I292 PolarHBondContact N-O 3.42Å; C70-I292 PolarHBondContact O-N 3.2Å
71	I	98.9	Very high	98	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	164	172.9	59.9	174.3	0	0	0	110.1	T74 M83 L89 I90 H91 A92 W110 A278 V280 P291	I71-T74 HydrophobicContact CD1-CG2 4.29Å; I71-M83 HydrophobicContact CD1-CE 4.15Å; I71-M83 HydrophobicContact CG2-CE 4.35Å; I71-L89 HydrophobicContact CD1-CD1 3.86Å; I71-L89 HydrophobicContact CD1-CD2 4.48Å; I71-L89 HydrophobicContact CG1-CD1 3.89Å; I71-I90 PolarHBondContact N-O 2.86Å; I71-H91 VanDerWaalsContact CD1-CD2 3.45Å; I71-H91 WeakPolarHBondContact CD1-CD2 3.47Å; I71-H91 HydrophobicContact CG1-CB 4.18Å; I71-H91 CarbonylContact O-C 3.6Å; I71-H91 VanDerWaalsContact O-CA 3.25Å; I71-H91 WeakPolarHBondContact O-CA 3.34Å; I71-A92 PolarHBondContact O-N 3.35Å; I71-W110 HydrophobicContact CD1-CH2 3.56Å; I71-W110 HydrophobicContact CD1-CZ3 4.09Å; I71-A278 CarbonylContact C-O 3.59Å; I71-A278 WeakPolarHBondContact CA-O 3.35Å; I71-V280 HydrophobicContact CB-CG2 3.71Å; I71-V280 HydrophobicContact CG2-CG2 3.7Å; I71-P291 HydrophobicContact CG2-CB 3.62Å; I71-P291 HydrophobicContact CG2-CG 3.82Å
72	S	98.9	Very high	98	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-162.6	166.2	174.5	-170.6	0	0	0	0	108.9	T74 A92 G93 A278 V280	S72-T74 VanDerWaalsContact C-N 3.31Å; S72-T74 PolarHBondContact O-N 2.99Å; S72-A92 PolarHBondContact OG-O 2.9Å; S72-A92 VanDerWaalsContact OG-O 3.12Å; S72-G93 PolarHBondContact OG-O 2.85Å; S72-A278 PolarHBondContact N-O 2.65Å; S72-V280 PolarHBondContact O-N 2.93Å
73	D	98.8	Very high	98.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.214	C	C	.	.			trans	56	45.3	168.1	-45.1	-83.6	0	0	0	112.3	H75 G93 D94 H221 G259 H260 H262 S279 C281	D73-H75 VanDerWaalsContact C-N 3.33Å; D73-H75 PolarHBondContact O-CD2 3.26Å; D73-G93 PolarHBondContact N-O 3.43Å; D73-D94 CarbonylContact C-O 3.58Å; D73-D94 WeakPolarHBondContact CA-O 3.41Å; D73-D94 HydrophobicContact CB-CB 4.35Å; D73-H221 IonicContact OD1-CE1 3.9Å; D73-H221 PolarHBondContact OD1-CE1 3.1Å; D73-G259 VanDerWaalsContact OD2-CA 3.26Å; D73-G259 WeakPolarHBondContact OD2-CA 3.12Å; D73-H260 VanDerWaalsContact OD1-CA 3.29Å; D73-H260 WeakPolarHBondContact OD1-CA 3.16Å; D73-H260 PolarHBondContact OD1-N 2.82Å; D73-H260 PolarHBondContact OD2-N 3.47Å; D73-H262 WeakPolarHBondContact CB-NE2 3.19Å; D73-H262 IonicContact OD1-NE2 3.72Å; D73-S279 WeakPolarHBondContact OD2-CA 3.46Å; D73-S279 WeakPolarHBondContact OD2-CB 3.3Å; D73-S279 PolarHBondContact OD2-OG 2.92Å; D73-C281 WeakPolarHBondContact O-CB 3.24Å; D73-C281 PolarHBondContact O-N 3.19Å; D73-C281 PolarHBondContact O-SG 3.4Å
74	T	98.8	Very high	98.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.			trans	-78.2	-22.2	177.9	57.5	0	0	0	0	111.7	I71 S72 S76 R77 I81 H91 D94 F95 V280	I71-T74 HydrophobicContact CD1-CG2 4.29Å; S72-T74 VanDerWaalsContact C-N 3.31Å; S72-T74 PolarHBondContact O-N 2.99Å; T74-S76 VanDerWaalsContact C-N 3.33Å; T74-S76 PolarHBondContact O-N 2.91Å; T74-R77 WeakPolarHBondContact O-CA 3.27Å; T74-R77 VanDerWaalsContact O-CB 3.25Å; T74-R77 WeakPolarHBondContact O-CB 3.17Å; T74-R77 PolarHBondContact O-N 3.12Å; T74-I81 HydrophobicContact CG2-CD1 3.64Å; T74-H91 VanDerWaalsContact CG2-NE2 3.26Å; T74-H91 WeakPolarHBondContact CG2-NE2 3.4Å; T74-H91 PolarHBondContact OG1-NE2 2.99Å; T74-D94 PolarHBondContact N-O 3.23Å; T74-F95 WeakPolarHBondContact OG1-CA 3.33Å; T74-V280 HydrophobicContact CG2-CB 4.38Å; T74-V280 HydrophobicContact CG2-CG2 4.46Å
75	H	98.6	Very high	98.2	Very high	3 Å²	3	36.7 Å²	36.7	1%	0.014	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.7	51.7	174.7	-62.6	-69.5	0	0	0	113.5	D73 R77 D94 T96 E97 H126 H262 Y285	D73-H75 VanDerWaalsContact C-N 3.33Å; D73-H75 PolarHBondContact O-CD2 3.26Å; H75-R77 WeakPolarHBondContact O-CG 3.36Å; H75-R77 PolarHBondContact O-N 2.81Å; H75-R77 VanDerWaalsContact O-N 3.1Å; H75-D94 IonicContact CE1-OD2 2.7Å; H75-D94 PolarHBondContact CE1-OD2 3.02Å; H75-D94 PolarHBondContact N-O 2.87Å; H75-T96 PolarHBondContact ND1-O 2.88Å; H75-E97 HydrophobicContact CB-CG 4.32Å; H75-H126 AromaticContact CE1-CD2 3.4Å; H75-H126 PolarHBondContact CE1-CD2 2.9Å; H75-H126 VanDerWaalsContact CE1-CD2 3.4Å; H75-H126 AromaticContact CE1-CE1 3.92Å; H75-H126 AromaticContact CE1-CG 3.77Å; H75-H126 AromaticContact CE1-NE2 3.54Å; H75-H126 AromaticContact ND1-CD2 3.84Å; H75-H126 AromaticContact ND1-CG 3.71Å; H75-H126 AromaticContact ND1-ND1 3.83Å; H75-H262 AromaticContact NE2-CE1 3.5Å; H75-H262 PolarHBondContact NE2-CE1 2.82Å; H75-H262 AromaticContact NE2-NE2 3.56Å; H75-Y285 AromaticContact CD2-CD1 3.68Å; H75-Y285 AromaticContact CD2-CE1 3.81Å; H75-Y285 AromaticContact CE1-CE1 3.99Å; H75-Y285 AromaticContact NE2-CD1 3.92Å; H75-Y285 AromaticContact NE2-CE1 3.55Å
76	S	98.5	Very high	98.3	Very high	22 Å²	22	33 Å²	33	15%	0.154	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	8.7	-177	-60.6	0	0	0	0	116	T74 F95 T96 E103 K106	T74-S76 VanDerWaalsContact C-N 3.33Å; T74-S76 PolarHBondContact O-N 2.91Å; S76-F95 PolarHBondContact N-O 2.82Å; S76-T96 WeakPolarHBondContact OG-CA 3.33Å; S76-E103 PolarHBondContact OG-OE1 3.04Å; S76-K106 PolarHBondContact O-NZ 3.45Å
77	R	98.3	Very high	98.3	Very high	90 Å²	90	33.6 Å²	33.6	34%	0.34	17%	0.165	S	C	.	.			trans	-105.6	54.1	-176.7	-59	167	-169.5	-74.3	-15.9	112.4	T74 H75 P80 E97 Y285 P287	T74-R77 WeakPolarHBondContact O-CA 3.27Å; T74-R77 VanDerWaalsContact O-CB 3.25Å; T74-R77 WeakPolarHBondContact O-CB 3.17Å; T74-R77 PolarHBondContact O-N 3.12Å; H75-R77 WeakPolarHBondContact O-CG 3.36Å; H75-R77 PolarHBondContact O-N 2.81Å; H75-R77 VanDerWaalsContact O-N 3.1Å; R77-P80 WeakPolarHBondContact O-CD 3.48Å; R77-E97 IonicContact CZ-OE1 2.7Å; R77-E97 IonicContact NE-OE1 3.97Å; R77-E97 IonicContact NH2-OE1 2.93Å; R77-E97 PolarHBondContact NH2-OE1 2.9Å; R77-Y285 VanDerWaalsContact CD-O 3.27Å; R77-Y285 WeakPolarHBondContact CD-O 3.31Å; R77-Y285 PolarHBondContact NE-O 3.09Å; R77-P287 HydrophobicContact CB-CB 4.35Å; R77-P287 HydrophobicContact CB-CG 3.95Å
78	T	98.1	Very high	98.3	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.012	17%	0.165	C	C	.	.			trans	-83.7	-27	-176.5	50.6	0	0	0	0	114.6	P80 I81 F107 W110	T78-P80 VanDerWaalsContact C-CD 3.44Å; T78-I81 WeakPolarHBondContact O-CG1 3.46Å; T78-I81 PolarHBondContact O-N 3.39Å; T78-I81 VanDerWaalsContact O-N 3.11Å; T78-F107 HydrophobicContact CG2-CD2 4.14Å; T78-W110 HydrophobicContact CG2-CD2 3.62Å; T78-W110 HydrophobicContact CG2-CE3 3.69Å; T78-W110 HydrophobicContact CG2-CG 4.05Å; T78-W110 HydrophobicContact CG2-CH2 4.32Å; T78-W110 HydrophobicContact CG2-CZ2 4.26Å; T78-W110 HydrophobicContact CG2-CZ3 4.05Å
79	D	96.1	Very high	98.3	Very high	118 Å²	118	33.4 Å²	33.4	63%	0.631	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-40.5	-174.9	-55.6	-37	0	0	0	115.4	K106	D79-K106 IonicContact OD1-NZ 2.79Å; D79-K106 IonicContact OD2-NZ 3.65Å; D79-K106 PolarHBondContact OD2-NZ 3.35Å
80	P	96.4	Very high	98.3	Very high	75 Å²	75	33.4 Å²	33.4	49%	0.487	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-6.7	-179.6	33.8	-36.7	0	0	0	114.5	R77 T78 Q82 P287	R77-P80 WeakPolarHBondContact O-CD 3.48Å; T78-P80 VanDerWaalsContact C-CD 3.44Å; P80-Q82 PolarHBondContact O-N 3.27Å; P80-P287 HydrophobicContact CG-CB 4.29Å; P80-P287 HydrophobicContact CG-CG 3.36Å
81	I	97.4	Very high	98.3	Very high	16 Å²	16	33.4 Å²	33.4	8%	0.082	17%	0.165	C	C	.	.			trans	-76.5	119.2	-172.1	-51.4	174.2	0	0	0	109.9	T74 T78 M83 V280 P287 P291	T74-I81 HydrophobicContact CG2-CD1 3.64Å; T78-I81 WeakPolarHBondContact O-CG1 3.46Å; T78-I81 PolarHBondContact O-N 3.39Å; T78-I81 VanDerWaalsContact O-N 3.11Å; I81-M83 HydrophobicContact CB-SD 4.33Å; I81-M83 HydrophobicContact CG2-CG 4.38Å; I81-M83 HydrophobicContact CG2-SD 3.47Å; I81-M83 WeakPolarHBondContact CG2-SD 3.41Å; I81-M83 PolarHBondContact O-N 2.85Å; I81-V280 HydrophobicContact CD1-CG1 3.86Å; I81-V280 HydrophobicContact CG1-CG1 4.11Å; I81-P287 HydrophobicContact CG1-CB 4.27Å; I81-P291 HydrophobicContact CG2-CG 3.87Å
82	Q	97.4	Very high	98.3	Very high	162 Å²	162	33.4 Å²	33.4	76%	0.757	17%	0.165	S	C	*	.			trans	-82.8	108.3	171.8	-62.9	-61.4	-27	0	0	109.7	P80	P80-Q82 PolarHBondContact O-N 3.27Å
83	M	98.4	Very high	98.3	Very high	40 Å²	40	33.4 Å²	33.4	20%	0.197	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-87.2	121.3	-174.4	-68	-54.2	-67.8	0	0	111.2	V69 I71 I81 L89 W110 L114 Y116 P291	V69-M83 HydrophobicContact CG1-CE 3.93Å; I71-M83 HydrophobicContact CD1-CE 4.15Å; I71-M83 HydrophobicContact CG2-CE 4.35Å; I81-M83 HydrophobicContact CB-SD 4.33Å; I81-M83 HydrophobicContact CG2-CG 4.38Å; I81-M83 HydrophobicContact CG2-SD 3.47Å; I81-M83 WeakPolarHBondContact CG2-SD 3.41Å; I81-M83 PolarHBondContact O-N 2.85Å; M83-L89 HydrophobicContact CE-CD1 3.55Å; M83-W110 HydrophobicContact CE-CH2 4.19Å; M83-W110 HydrophobicContact CE-CZ2 4.38Å; M83-W110 HydrophobicContact CG-CZ2 3.85Å; M83-W110 HydrophobicContact SD-CH2 4.08Å; M83-W110 HydrophobicContact SD-CZ2 3.77Å; M83-L114 HydrophobicContact CB-CD2 4.14Å; M83-L114 HydrophobicContact CE-CD1 4.46Å; M83-L114 HydrophobicContact CG-CD2 3.77Å; M83-Y116 WeakPolarHBondContact CB-OH 3.25Å; M83-Y116 HydrophobicContact CE-CE2 3.76Å; M83-Y116 WeakPolarHBondContact CE-OH 3.48Å; M83-P291 HydrophobicContact CE-CG 4.42Å; M83-P291 HydrophobicContact SD-CG 3.82Å
84	P	98.3	Very high	98.3	Very high	12 Å²	12	33.5 Å²	33.5	8%	0.078	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-77	167	-178	31.9	-36.3	0	0	0	112.5	H57 V69 Y116 P291 V293	H57-P84 HydrophobicContact CB-CB 3.95Å; V69-P84 HydrophobicContact CG1-CG 3.85Å; V69-P84 HydrophobicContact CG2-CG 4.12Å; P84-Y116 WeakPolarHBondContact O-CE1 3.26Å; P84-Y116 PolarHBondContact O-OH 3.46Å; P84-P291 HydrophobicContact CG-CB 4.03Å; P84-V293 HydrophobicContact CB-CG2 4.19Å; P84-V293 HydrophobicContact CG-CG2 3.75Å
85	Y	98.1	Very high	98.3	Very high	138 Å²	138	33.5 Å²	33.5	54%	0.541	17%	0.165	S	C	.	.	P	Polyproline II helix	trans	-61.4	138	170.3	171.7	-100.9	0	0	0	111.5	K61 R67	K61-Y85 PolarHBondContact NZ-OH 3.4Å; R67-Y85 WeakPolarHBondContact CD-O 3.45Å
86	G	98.3	Very high	98.3	Very high	9 Å²	9	33.3 Å²	33.3	9%	0.093	17%	0.165	C	C	.	.			trans	-172.8	176.7	174.9	0	0	0	0	0	112	Y116	G86-Y116 WeakPolarHBondContact O-CD1 3.25Å
87	D	98.5	Very high	98.2	Very high	13 Å²	13	36.1 Å²	36.1	7%	0.07	18%	0.175	C	C	.	.	S	Bend	trans	-99.9	-43.4	-179.5	-56.7	-58.7	0	0	0	111.7	K61 T66 R67 E117 R178	K61-D87 WeakPolarHBondContact CD-OD2 3.46Å; K61-D87 IonicContact NZ-OD1 3.52Å; K61-D87 PolarHBondContact NZ-OD1 3.2Å; K61-D87 IonicContact NZ-OD2 3.65Å; K61-D87 PolarHBondContact NZ-OD2 3.31Å; T66-D87 WeakPolarHBondContact CA-OD2 3.49Å; T66-D87 HydrophobicContact CG2-CB 3.97Å; R67-D87 PolarHBondContact N-OD2 2.88Å; R67-D87 PolarHBondContact O-N 3.01Å; D87-E117 PolarHBondContact O-N 2.95Å; D87-R178 IonicContact OD1-NH1 3.58Å
88	V	98.9	Very high	98.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	126.1	-174.8	-177.9	0	0	0	0	109.7	T66 R67 F68 V69 Y118 I120	T66-V88 HydrophobicContact CG2-CG2 4.03Å; R67-V88 PolarHBondContact O-N 3.17Å; F68-V88 CarbonylContact C-O 3.31Å; F68-V88 WeakPolarHBondContact CA-O 3.36Å; F68-V88 HydrophobicContact CD1-CB 3.71Å; F68-V88 HydrophobicContact CD1-CG1 3.89Å; F68-V88 HydrophobicContact CD1-CG2 4.44Å; F68-V88 HydrophobicContact CE1-CB 3.81Å; F68-V88 HydrophobicContact CE1-CG1 3.9Å; F68-V88 HydrophobicContact CE1-CG2 4.09Å; V69-V88 PolarHBondContact N-O 3.09Å; V88-Y118 WeakPolarHBondContact CA-O 3.44Å; V88-Y118 HydrophobicContact CG2-CD2 4.29Å; V88-I120 HydrophobicContact CG1-CD1 4.07Å; V88-I120 HydrophobicContact CG1-CG1 4.32Å
89	L	98.9	Very high	98.1	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	135	169.3	179.4	65.7	0	0	0	109.9	V69 I71 M83 L111 L114 Y116 Y118 K119 I120	V69-L89 HydrophobicContact CB-CD1 4.16Å; V69-L89 HydrophobicContact CG1-CD1 4.04Å; V69-L89 CarbonylContact O-C 3.39Å; V69-L89 WeakPolarHBondContact O-CA 3.41Å; V69-L89 WeakPolarHBondContact O-CD1 3.39Å; I71-L89 HydrophobicContact CD1-CD1 3.86Å; I71-L89 HydrophobicContact CD1-CD2 4.48Å; I71-L89 HydrophobicContact CG1-CD1 3.89Å; M83-L89 HydrophobicContact CE-CD1 3.55Å; L89-L111 HydrophobicContact CD2-CD2 3.67Å; L89-L114 HydrophobicContact CD2-CD1 3.76Å; L89-Y116 HydrophobicContact CB-CD2 3.62Å; L89-Y116 HydrophobicContact CB-CE2 4.12Å; L89-Y116 HydrophobicContact CB-CG 3.97Å; L89-Y116 HydrophobicContact CD1-CD2 4.48Å; L89-Y116 HydrophobicContact CD1-CE2 4.14Å; L89-Y116 HydrophobicContact CD2-CD2 4.01Å; L89-Y116 HydrophobicContact CD2-CE2 4.19Å; L89-Y116 HydrophobicContact CG-CD2 4.26Å; L89-Y116 HydrophobicContact CG-CE2 4.4Å; L89-Y118 PolarHBondContact N-O 3.48Å; L89-K119 HydrophobicContact CB-CB 4.33Å; L89-K119 HydrophobicContact CB-CG 4.03Å; L89-K119 HydrophobicContact CD2-CB 4.39Å; L89-K119 HydrophobicContact CD2-CG 3.95Å; L89-K119 CarbonylContact O-C 3.54Å; L89-K119 WeakPolarHBondContact O-CA 3.42Å; L89-I120 PolarHBondContact O-N 3.45Å
90	I	98.9	Very high	98.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.7	168.4	-65.8	173.3	0	0	0	107.9	F68 V69 I71 I120 I217 I219 V257	F68-I90 HydrophobicContact CB-CD1 4.49Å; F68-I90 HydrophobicContact CD1-CD1 3.74Å; F68-I90 HydrophobicContact CD1-CG1 4.33Å; F68-I90 HydrophobicContact CE1-CD1 4.45Å; F68-I90 HydrophobicContact CG-CD1 4.44Å; V69-I90 PolarHBondContact O-N 3.39Å; I71-I90 PolarHBondContact N-O 2.86Å; I90-I120 CarbonylContact C-O 3.54Å; I90-I120 WeakPolarHBondContact CA-O 3.45Å; I90-I217 HydrophobicContact CD1-CG2 4.03Å; I90-I219 HydrophobicContact CD1-CD1 4.49Å; I90-I219 HydrophobicContact CG1-CD1 4.35Å; I90-I219 HydrophobicContact CG2-CD1 3.68Å; I90-I219 HydrophobicContact CG2-CG1 3.94Å; I90-I219 HydrophobicContact CG2-CG2 4.07Å; I90-V257 HydrophobicContact CD1-CG2 4.27Å; I90-V257 HydrophobicContact CG2-CB 4.13Å; I90-V257 HydrophobicContact CG2-CG1 3.96Å; I90-V257 HydrophobicContact CG2-CG2 4.44Å
91	H	98.9	Very high	98.2	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	113.8	169.9	-162.5	-57.4	0	0	0	110.4	I71 T74 G93 F107 I120 V121 I122	I71-H91 VanDerWaalsContact CD1-CD2 3.45Å; I71-H91 WeakPolarHBondContact CD1-CD2 3.47Å; I71-H91 HydrophobicContact CG1-CB 4.18Å; I71-H91 CarbonylContact O-C 3.6Å; I71-H91 VanDerWaalsContact O-CA 3.25Å; I71-H91 WeakPolarHBondContact O-CA 3.34Å; T74-H91 VanDerWaalsContact CG2-NE2 3.26Å; T74-H91 WeakPolarHBondContact CG2-NE2 3.4Å; T74-H91 PolarHBondContact OG1-NE2 2.99Å; H91-G93 VanDerWaalsContact C-N 3.3Å; H91-G93 PolarHBondContact CE1-O 3Å; H91-G93 PolarHBondContact ND1-N 2.88Å; H91-G93 PolarHBondContact ND1-O 2.96Å; H91-G93 PolarHBondContact O-N 2.81Å; H91-F107 HydrophobicContact CB-CZ 4.39Å; H91-F107 AromaticContact CD2-CE2 3.55Å; H91-F107 AromaticContact CD2-CZ 3.54Å; H91-F107 AromaticContact CG-CZ 3.96Å; H91-F107 AromaticContact NE2-CE2 3.75Å; H91-I120 PolarHBondContact N-O 2.88Å; H91-V121 HydrophobicContact CB-CG1 4.42Å; H91-V121 HydrophobicContact CB-CG2 4.07Å; H91-I122 PolarHBondContact O-N 2.88Å; H91-I122 VanDerWaalsContact O-N 3.14Å
92	A	98.9	Very high	98.2	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	40.4	-172.7	0	0	0	0	0	114.6	I71 S72 I219 H221 V257	I71-A92 PolarHBondContact O-N 3.35Å; S72-A92 PolarHBondContact OG-O 2.9Å; S72-A92 VanDerWaalsContact OG-O 3.12Å; A92-I219 HydrophobicContact CB-CG2 3.82Å; A92-H221 PolarHBondContact O-ND1 3.28Å; A92-V257 HydrophobicContact CB-CG1 4.22Å
93	G	98.8	Very high	98.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	90.5	174.6	176.9	0	0	0	0	0	115.6	S72 D73 H91 F95 I122 A123	S72-G93 PolarHBondContact OG-O 2.85Å; D73-G93 PolarHBondContact N-O 3.43Å; H91-G93 VanDerWaalsContact C-N 3.3Å; H91-G93 PolarHBondContact CE1-O 3Å; H91-G93 PolarHBondContact ND1-N 2.88Å; H91-G93 PolarHBondContact ND1-O 2.96Å; H91-G93 PolarHBondContact O-N 2.81Å; G93-F95 PolarHBondContact O-N 3.32Å; G93-I122 WeakPolarHBondContact CA-O 3.44Å; G93-I122 PolarHBondContact N-O 3.03Å; G93-A123 VanDerWaalsContact CA-C 3.49Å
94	D	98.8	Very high	98.2	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.011	11%	0.113	C	C	.	.			trans	54.9	48.8	-175.4	-77.6	2.4	0	0	0	112.4	D73 T74 H75 T96 G124 N125 H126 E127 H221	D73-D94 CarbonylContact C-O 3.58Å; D73-D94 WeakPolarHBondContact CA-O 3.41Å; D73-D94 HydrophobicContact CB-CB 4.35Å; T74-D94 PolarHBondContact N-O 3.23Å; H75-D94 IonicContact CE1-OD2 2.7Å; H75-D94 PolarHBondContact CE1-OD2 3.02Å; H75-D94 PolarHBondContact N-O 2.87Å; D94-T96 VanDerWaalsContact C-N 3.31Å; D94-G124 VanDerWaalsContact OD1-CA 3.22Å; D94-G124 WeakPolarHBondContact OD1-CA 3.32Å; D94-N125 PolarHBondContact OD1-N 2.8Å; D94-N125 PolarHBondContact OD2-OD1 2.79Å; D94-H126 HydrophobicContact CB-CB 4.47Å; D94-H126 VanDerWaalsContact CG-CD2 3.5Å; D94-H126 WeakPolarHBondContact OD1-CB 3.3Å; D94-H126 IonicContact OD1-CD2 3.35Å; D94-H126 IonicContact OD1-CG 3.73Å; D94-H126 PolarHBondContact OD1-N 2.87Å; D94-H126 IonicContact OD2-CD2 3.33Å; D94-H126 PolarHBondContact OD2-CD2 3.09Å; D94-H126 IonicContact OD2-CG 2.96Å; D94-H126 IonicContact OD2-NE2 3.64Å; D94-E127 VanDerWaalsContact CA-OE2 3.32Å; D94-E127 WeakPolarHBondContact CA-OE2 3.44Å; D94-E127 PolarHBondContact N-OE2 2.96Å; D94-H221 IonicContact OD1-CE1 2.72Å; D94-H221 IonicContact OD1-NE2 3.6Å; D94-H221 IonicContact OD2-CE1 2.8Å; D94-H221 PolarHBondContact OD2-CE1 2.84Å; D94-H221 IonicContact OD2-NE2 3.23Å; D94-H221 PolarHBondContact OD2-NE2 3.08Å
95	F	98.9	Very high	98.2	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.			trans	-81.9	-12.2	174.9	52.9	-94.7	0	0	0	113.1	T74 S76 G93 V104 F107 V121 I122 E127 F130 L164	T74-F95 WeakPolarHBondContact OG1-CA 3.33Å; S76-F95 PolarHBondContact N-O 2.82Å; G93-F95 PolarHBondContact O-N 3.32Å; F95-V104 HydrophobicContact CE2-CG2 4.35Å; F95-F107 HydrophobicContact CB-CD1 3.89Å; F95-F107 HydrophobicContact CB-CD2 3.68Å; F95-F107 HydrophobicContact CB-CE1 3.72Å; F95-F107 HydrophobicContact CB-CE2 3.52Å; F95-F107 HydrophobicContact CB-CG 3.85Å; F95-F107 HydrophobicContact CB-CZ 3.54Å; F95-F107 HydrophobicContact CD1-CE1 4.1Å; F95-F107 HydrophobicContact CD1-CZ 4.44Å; F95-F107 HydrophobicContact CD2-CB 4.21Å; F95-F107 AromaticContact CD2-CD1 3.35Å; F95-F107 HydrophobicContact CD2-CD1 3.35Å; F95-F107 HydrophobicContact CD2-CD2 4.46Å; F95-F107 AromaticContact CD2-CE1 3.72Å; F95-F107 HydrophobicContact CD2-CE1 3.72Å; F95-F107 AromaticContact CD2-CG 3.76Å; F95-F107 HydrophobicContact CD2-CG 3.76Å; F95-F107 HydrophobicContact CD2-CZ 4.43Å; F95-F107 AromaticContact CE2-CD1 3.99Å; F95-F107 HydrophobicContact CE2-CD1 3.99Å; F95-F107 HydrophobicContact CE2-CE1 4.35Å; F95-F107 AromaticContact CG-CD1 3.7Å; F95-F107 HydrophobicContact CG-CD1 3.7Å; F95-F107 HydrophobicContact CG-CD2 4.4Å; F95-F107 AromaticContact CG-CE1 3.59Å; F95-F107 HydrophobicContact CG-CE1 3.59Å; F95-F107 HydrophobicContact CG-CE2 4.32Å; F95-F107 HydrophobicContact CG-CG 4.1Å; F95-F107 AromaticContact CG-CZ 3.93Å; F95-F107 HydrophobicContact CG-CZ 3.93Å; F95-V121 HydrophobicContact CD1-CG1 3.7Å; F95-V121 HydrophobicContact CE1-CG1 3.55Å; F95-V121 HydrophobicContact CZ-CG1 4.37Å; F95-I122 WeakPolarHBondContact CE1-O 3.37Å; F95-E127 HydrophobicContact CD1-CG 4.22Å; F95-E127 HydrophobicContact CD2-CG 4.37Å; F95-E127 HydrophobicContact CE1-CG 3.62Å; F95-E127 HydrophobicContact CE2-CG 3.78Å; F95-E127 HydrophobicContact CZ-CG 3.36Å; F95-E127 PolarHBondContact N-OE1 3.39Å; F95-F130 HydrophobicContact CE2-CE2 4.48Å; F95-F130 HydrophobicContact CE2-CZ 4.07Å; F95-F130 AromaticContact CZ-CE1 3.93Å; F95-F130 HydrophobicContact CZ-CE1 3.93Å; F95-F130 HydrophobicContact CZ-CE2 4.27Å; F95-F130 AromaticContact CZ-CZ 3.69Å; F95-F130 HydrophobicContact CZ-CZ 3.69Å; F95-L164 HydrophobicContact CE2-CD1 4.49Å; F95-L164 HydrophobicContact CE2-CD2 4.35Å; F95-L164 HydrophobicContact CZ-CD1 4.02Å
96	T	98.8	Very high	98.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-120.8	172.6	175.2	66.7	0	0	0	0	112.2	H75 S76 D94 G99 E103 V104 H126 E127	H75-T96 PolarHBondContact ND1-O 2.88Å; S76-T96 WeakPolarHBondContact OG-CA 3.33Å; D94-T96 VanDerWaalsContact C-N 3.31Å; T96-G99 WeakPolarHBondContact OG1-CA 3.22Å; T96-G99 PolarHBondContact OG1-N 3.16Å; T96-E103 HydrophobicContact CG2-CB 3.6Å; T96-V104 HydrophobicContact CG2-CG2 4Å; T96-H126 VanDerWaalsContact O-CB 3.22Å; T96-H126 WeakPolarHBondContact O-CB 3.43Å; T96-E127 WeakPolarHBondContact CB-OE1 3.43Å; T96-E127 PolarHBondContact N-OE1 3.11Å; T96-E127 PolarHBondContact OG1-OE1 3.43Å
97	E	97.4	Very high	98.3	Very high	80 Å²	80	23.1 Å²	23.1	37%	0.374	12%	0.118	S	C	.	.	S	Bend	trans	-89.6	-32.8	169.1	-62.9	-168.3	166	0	0	112.3	H75 R77 E103 H126	H75-E97 HydrophobicContact CB-CG 4.32Å; R77-E97 IonicContact CZ-OE1 2.7Å; R77-E97 IonicContact NE-OE1 3.97Å; R77-E97 IonicContact NH2-OE1 2.93Å; R77-E97 PolarHBondContact NH2-OE1 2.9Å; E97-E103 WeakPolarHBondContact CB-OE1 3.31Å; E97-E103 PolarHBondContact N-OE1 3.27Å; E97-H126 PolarHBondContact O-ND1 2.83Å
98	L	96.6	Very high	98.3	Very high	35 Å²	35	23.1 Å²	23.1	18%	0.183	12%	0.119	C	C	.	.	S	Bend	trans	-143.3	7.6	-176.1	-67.9	175.7	0	0	0	113.7	L100 E103 H126 L128 F146 V149 W194	L98-L100 VanDerWaalsContact C-N 3.28Å; L98-L100 HydrophobicContact CB-CG 4.15Å; L98-L100 PolarHBondContact O-N 3.09Å; L98-E103 PolarHBondContact N-OE2 2.87Å; L98-H126 CarbonylContact C-O 3.09Å; L98-H126 VanDerWaalsContact CA-O 3.22Å; L98-H126 WeakPolarHBondContact CA-O 3.48Å; L98-L128 HydrophobicContact CD2-CD1 4.03Å; L98-F146 HydrophobicContact CD2-CD1 3.67Å; L98-F146 HydrophobicContact CD2-CE1 3.91Å; L98-V149 HydrophobicContact CB-CG2 3.85Å; L98-V149 HydrophobicContact CD1-CG2 4.36Å; L98-V149 HydrophobicContact CG-CG2 4.49Å; L98-W194 HydrophobicContact CD2-CH2 4.05Å; L98-W194 HydrophobicContact CD2-CZ3 3.86Å
99	G	97.4	Very high	98.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.149	C	C	.	.			trans	71.9	18.8	-176.1	0	0	0	0	0	113.3	T96 E103 H126 T129	T96-G99 WeakPolarHBondContact OG1-CA 3.22Å; T96-G99 PolarHBondContact OG1-N 3.16Å; G99-E103 PolarHBondContact N-OE2 3.2Å; G99-H126 PolarHBondContact N-O 3.39Å; G99-T129 WeakPolarHBondContact O-CB 3.39Å; G99-T129 WeakPolarHBondContact O-CG2 3.39Å; G99-T129 PolarHBondContact O-OG1 3Å
100	L	96.8	Very high	98.3	Very high	35 Å²	35	31 Å²	31	18%	0.183	15%	0.154	C	C	.	.			trans	-64.2	140.2	-177.9	-59.7	177.4	0	0	0	110.1	L98 S102 E103 V104 V149 L152	L98-L100 VanDerWaalsContact C-N 3.28Å; L98-L100 HydrophobicContact CB-CG 4.15Å; L98-L100 PolarHBondContact O-N 3.09Å; L100-S102 PolarHBondContact O-N 2.94Å; L100-E103 HydrophobicContact CB-CG 4.07Å; L100-E103 WeakPolarHBondContact CB-OE2 3.32Å; L100-E103 WeakPolarHBondContact CG-OE2 3.21Å; L100-E103 PolarHBondContact N-OE2 3.33Å; L100-E103 WeakPolarHBondContact O-CA 3.39Å; L100-E103 WeakPolarHBondContact O-CB 3.26Å; L100-E103 PolarHBondContact O-N 3.36Å; L100-V104 WeakPolarHBondContact O-CG2 3.46Å; L100-V104 PolarHBondContact O-N 2.84Å; L100-V104 VanDerWaalsContact O-N 3.09Å; L100-V149 HydrophobicContact CD2-CG2 3.97Å; L100-L152 HydrophobicContact CD2-CD1 3.99Å
101	P	97.3	Very high	98.3	Very high	24 Å²	24	31 Å²	31	16%	0.156	15%	0.154	C	C	.	.	H	α-helix	trans	-53.3	-30.3	-179.7	-30	35.9	0	0	0	114.5	K105 S156 V160 L163	P101-K105 VanDerWaalsContact O-CG 3.31Å; P101-K105 WeakPolarHBondContact O-CG 3.4Å; P101-K105 PolarHBondContact O-N 3.45Å; P101-S156 WeakPolarHBondContact CG-O 3.47Å; P101-V160 HydrophobicContact CG-CG2 4.46Å; P101-L163 HydrophobicContact CB-CD1 3.92Å
102	S	97.1	Very high	98.3	Very high	80 Å²	80	32.9 Å²	32.9	56%	0.559	17%	0.174	S	C	*	.	H	α-helix	trans	-67.4	-38.7	173.8	50.7	0	0	0	0	113.2	L100 K105 K106	L100-S102 PolarHBondContact O-N 2.94Å; S102-K105 PolarHBondContact O-N 3.5Å; S102-K106 PolarHBondContact O-N 2.79Å
103	E	98.5	Very high	98.3	Very high	24 Å²	24	37.2 Å²	37.2	11%	0.112	20%	0.204	C	C	.	.	H	α-helix	trans	-68.2	-43.1	176.6	-62.4	-178.9	96.3	0	0	110.5	S76 T96 E97 L98 G99 L100 K105 K106 F107	S76-E103 PolarHBondContact OG-OE1 3.04Å; T96-E103 HydrophobicContact CG2-CB 3.6Å; E97-E103 WeakPolarHBondContact CB-OE1 3.31Å; E97-E103 PolarHBondContact N-OE1 3.27Å; L98-E103 PolarHBondContact N-OE2 2.87Å; G99-E103 PolarHBondContact N-OE2 3.2Å; L100-E103 HydrophobicContact CB-CG 4.07Å; L100-E103 WeakPolarHBondContact CB-OE2 3.32Å; L100-E103 WeakPolarHBondContact CG-OE2 3.21Å; L100-E103 PolarHBondContact N-OE2 3.33Å; L100-E103 WeakPolarHBondContact O-CA 3.39Å; L100-E103 WeakPolarHBondContact O-CB 3.26Å; L100-E103 PolarHBondContact O-N 3.36Å; E103-K105 VanDerWaalsContact C-N 3.3Å; E103-K105 PolarHBondContact O-N 2.92Å; E103-K106 PolarHBondContact O-N 2.93Å; E103-F107 WeakPolarHBondContact O-CB 3.23Å; E103-F107 PolarHBondContact O-N 3.4Å
104	V	98.7	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.1	-42	176.2	-176.6	0	0	0	0	110.9	F95 T96 L100 F107 N108 F130 V160 L163 L164	F95-V104 HydrophobicContact CE2-CG2 4.35Å; T96-V104 HydrophobicContact CG2-CG2 4Å; L100-V104 WeakPolarHBondContact O-CG2 3.46Å; L100-V104 PolarHBondContact O-N 2.84Å; L100-V104 VanDerWaalsContact O-N 3.09Å; V104-F107 PolarHBondContact O-N 3.03Å; V104-N108 WeakPolarHBondContact O-CB 3.35Å; V104-N108 PolarHBondContact O-N 2.62Å; V104-F130 HydrophobicContact CG1-CZ 4.09Å; V104-F130 HydrophobicContact CG2-CE2 3.69Å; V104-F130 HydrophobicContact CG2-CZ 4.03Å; V104-V160 HydrophobicContact CB-CG2 4.4Å; V104-V160 HydrophobicContact CG1-CG2 4.49Å; V104-V160 HydrophobicContact CG2-CG2 3.83Å; V104-L163 HydrophobicContact CB-CD1 4.33Å; V104-L163 HydrophobicContact CG1-CB 3.79Å; V104-L163 HydrophobicContact CG1-CD1 4.33Å; V104-L164 HydrophobicContact CG1-CD2 3.73Å; V104-L164 HydrophobicContact CG1-CG 3.87Å
105	K	98.5	Very high	98.2	Very high	106 Å²	106	43.5 Å²	43.5	46%	0.461	24%	0.244	S	C	.	.	H	α-helix	trans	-62.7	-48.4	174	-75.8	174.1	-177.2	-176.4	0	112.1	P101 S102 E103 F107 N108 E109 L163	P101-K105 VanDerWaalsContact O-CG 3.31Å; P101-K105 WeakPolarHBondContact O-CG 3.4Å; P101-K105 PolarHBondContact O-N 3.45Å; S102-K105 PolarHBondContact O-N 3.5Å; E103-K105 VanDerWaalsContact C-N 3.3Å; E103-K105 PolarHBondContact O-N 2.92Å; K105-F107 VanDerWaalsContact C-N 3.29Å; K105-F107 PolarHBondContact O-N 3.33Å; K105-N108 PolarHBondContact O-N 2.75Å; K105-N108 VanDerWaalsContact O-N 3.17Å; K105-E109 WeakPolarHBondContact O-CG 3.33Å; K105-E109 PolarHBondContact O-N 3.17Å; K105-L163 HydrophobicContact CG-CD1 4.24Å; K105-L163 HydrophobicContact CG-CD2 4.33Å
106	K	98.7	Very high	98.2	Very high	82 Å²	82	43.7 Å²	43.7	36%	0.357	25%	0.245	S	C	.	.	H	α-helix	trans	-57.4	-45.2	177.2	-175.1	-172.8	177.4	-168.6	0	110.9	S76 D79 S102 E103 E109 W110	S76-K106 PolarHBondContact O-NZ 3.45Å; D79-K106 IonicContact OD1-NZ 2.79Å; D79-K106 IonicContact OD2-NZ 3.65Å; D79-K106 PolarHBondContact OD2-NZ 3.35Å; S102-K106 PolarHBondContact O-N 2.79Å; E103-K106 PolarHBondContact O-N 2.93Å; K106-E109 PolarHBondContact O-N 3.38Å; K106-W110 PolarHBondContact O-N 2.87Å
107	F	98.8	Very high	98.2	Very high	3 Å²	3	49 Å²	49	1%	0.013	27%	0.269	C	S	.	.	H	α-helix	trans	-62.4	-44.8	176.6	176.9	-110.6	0	0	0	111.9	T78 H91 F95 E103 V104 K105 E109 W110 L111 V121 L164	T78-F107 HydrophobicContact CG2-CD2 4.14Å; H91-F107 HydrophobicContact CB-CZ 4.39Å; H91-F107 AromaticContact CD2-CE2 3.55Å; H91-F107 AromaticContact CD2-CZ 3.54Å; H91-F107 AromaticContact CG-CZ 3.96Å; H91-F107 AromaticContact NE2-CE2 3.75Å; F95-F107 HydrophobicContact CB-CD1 3.89Å; F95-F107 HydrophobicContact CB-CD2 3.68Å; F95-F107 HydrophobicContact CB-CE1 3.72Å; F95-F107 HydrophobicContact CB-CE2 3.52Å; F95-F107 HydrophobicContact CB-CG 3.85Å; F95-F107 HydrophobicContact CB-CZ 3.54Å; F95-F107 HydrophobicContact CD1-CE1 4.1Å; F95-F107 HydrophobicContact CD1-CZ 4.44Å; F95-F107 HydrophobicContact CD2-CB 4.21Å; F95-F107 AromaticContact CD2-CD1 3.35Å; F95-F107 HydrophobicContact CD2-CD1 3.35Å; F95-F107 HydrophobicContact CD2-CD2 4.46Å; F95-F107 AromaticContact CD2-CE1 3.72Å; F95-F107 HydrophobicContact CD2-CE1 3.72Å; F95-F107 AromaticContact CD2-CG 3.76Å; F95-F107 HydrophobicContact CD2-CG 3.76Å; F95-F107 HydrophobicContact CD2-CZ 4.43Å; F95-F107 AromaticContact CE2-CD1 3.99Å; F95-F107 HydrophobicContact CE2-CD1 3.99Å; F95-F107 HydrophobicContact CE2-CE1 4.35Å; F95-F107 AromaticContact CG-CD1 3.7Å; F95-F107 HydrophobicContact CG-CD1 3.7Å; F95-F107 HydrophobicContact CG-CD2 4.4Å; F95-F107 AromaticContact CG-CE1 3.59Å; F95-F107 HydrophobicContact CG-CE1 3.59Å; F95-F107 HydrophobicContact CG-CE2 4.32Å; F95-F107 HydrophobicContact CG-CG 4.1Å; F95-F107 AromaticContact CG-CZ 3.93Å; F95-F107 HydrophobicContact CG-CZ 3.93Å; E103-F107 WeakPolarHBondContact O-CB 3.23Å; E103-F107 PolarHBondContact O-N 3.4Å; V104-F107 PolarHBondContact O-N 3.03Å; K105-F107 VanDerWaalsContact C-N 3.29Å; K105-F107 PolarHBondContact O-N 3.33Å; F107-E109 PolarHBondContact O-N 2.86Å; F107-W110 AromaticContact CD2-CE3 3.97Å; F107-W110 HydrophobicContact CD2-CE3 3.97Å; F107-W110 HydrophobicContact CD2-CZ3 4.34Å; F107-W110 AromaticContact CE2-CE3 3.8Å; F107-W110 HydrophobicContact CE2-CE3 3.8Å; F107-W110 AromaticContact CE2-CZ3 3.72Å; F107-W110 HydrophobicContact CE2-CZ3 3.72Å; F107-W110 WeakPolarHBondContact O-CB 3.46Å; F107-W110 PolarHBondContact O-N 2.8Å; F107-L111 HydrophobicContact CD1-CD1 3.83Å; F107-L111 HydrophobicContact CD1-CG 4.36Å; F107-L111 HydrophobicContact CE1-CD1 3.35Å; F107-L111 HydrophobicContact CE1-CD2 4.43Å; F107-L111 HydrophobicContact CE1-CG 3.97Å; F107-L111 HydrophobicContact CE2-CD1 4.49Å; F107-L111 HydrophobicContact CE2-CD2 4.31Å; F107-L111 HydrophobicContact CE2-CG 4.23Å; F107-L111 HydrophobicContact CZ-CD1 3.73Å; F107-L111 HydrophobicContact CZ-CD2 3.94Å; F107-L111 HydrophobicContact CZ-CG 3.9Å; F107-L111 WeakPolarHBondContact O-CG 3.4Å; F107-L111 PolarHBondContact O-N 3.48Å; F107-V121 HydrophobicContact CE1-CG1 4.09Å; F107-V121 HydrophobicContact CE1-CG2 4.16Å; F107-V121 HydrophobicContact CZ-CG1 4.48Å; F107-V121 HydrophobicContact CZ-CG2 4.28Å; F107-L164 HydrophobicContact CD1-CD2 3.77Å; F107-L164 HydrophobicContact CE1-CD2 4.16Å
108	N	98.9	Very high	98.2	Very high	14 Å²	14	48.9 Å²	48.9	8%	0.075	27%	0.266	C	S	.	.	H	α-helix	trans	-63.3	-38.2	177.1	-173.6	61.3	0	0	0	113.1	V104 K105 L111 G112 L163 L164 T165 N166	V104-N108 WeakPolarHBondContact O-CB 3.35Å; V104-N108 PolarHBondContact O-N 2.62Å; K105-N108 PolarHBondContact O-N 2.75Å; K105-N108 VanDerWaalsContact O-N 3.17Å; N108-L111 PolarHBondContact O-N 2.84Å; N108-G112 PolarHBondContact O-N 3.06Å; N108-L163 WeakPolarHBondContact CB-O 3.39Å; N108-L163 PolarHBondContact ND2-O 2.97Å; N108-L163 VanDerWaalsContact ND2-O 3.08Å; N108-L164 HydrophobicContact CB-CD2 4.32Å; N108-L164 VanDerWaalsContact OD1-C 3.26Å; N108-L164 WeakPolarHBondContact OD1-CA 3.36Å; N108-T165 PolarHBondContact ND2-OG1 2.85Å; N108-T165 PolarHBondContact OD1-N 3.36Å; N108-N166 PolarHBondContact ND2-ND2 3.12Å; N108-N166 PolarHBondContact O-ND2 3.38Å; N108-N166 WeakPolarHBondContact OD1-CB 3.38Å; N108-N166 PolarHBondContact OD1-N 2.77Å
109	E	98.8	Very high	98.3	Very high	139 Å²	139	48.5 Å²	48.5	65%	0.65	26%	0.263	S	S	*	.	H	α-helix	trans	-62.9	-45	173.7	-73.9	170.1	-177	0	0	111.1	K105 K106 F107 G112 S113	K105-E109 WeakPolarHBondContact O-CG 3.33Å; K105-E109 PolarHBondContact O-N 3.17Å; K106-E109 PolarHBondContact O-N 3.38Å; F107-E109 PolarHBondContact O-N 2.86Å; E109-G112 PolarHBondContact O-N 2.86Å; E109-S113 PolarHBondContact O-N 2.87Å
110	W	98.8	Very high	98.4	Very high	27 Å²	27	48.5 Å²	48.5	10%	0.102	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-47.5	173.8	174.3	79.6	0	0	0	111.6	I71 T78 M83 K106 F107 G112 S113 L114	I71-W110 HydrophobicContact CD1-CH2 3.56Å; I71-W110 HydrophobicContact CD1-CZ3 4.09Å; T78-W110 HydrophobicContact CG2-CD2 3.62Å; T78-W110 HydrophobicContact CG2-CE3 3.69Å; T78-W110 HydrophobicContact CG2-CG 4.05Å; T78-W110 HydrophobicContact CG2-CH2 4.32Å; T78-W110 HydrophobicContact CG2-CZ2 4.26Å; T78-W110 HydrophobicContact CG2-CZ3 4.05Å; M83-W110 HydrophobicContact CE-CH2 4.19Å; M83-W110 HydrophobicContact CE-CZ2 4.38Å; M83-W110 HydrophobicContact CG-CZ2 3.85Å; M83-W110 HydrophobicContact SD-CH2 4.08Å; M83-W110 HydrophobicContact SD-CZ2 3.77Å; K106-W110 PolarHBondContact O-N 2.87Å; F107-W110 AromaticContact CD2-CE3 3.97Å; F107-W110 HydrophobicContact CD2-CE3 3.97Å; F107-W110 HydrophobicContact CD2-CZ3 4.34Å; F107-W110 AromaticContact CE2-CE3 3.8Å; F107-W110 HydrophobicContact CE2-CE3 3.8Å; F107-W110 AromaticContact CE2-CZ3 3.72Å; F107-W110 HydrophobicContact CE2-CZ3 3.72Å; F107-W110 WeakPolarHBondContact O-CB 3.46Å; F107-W110 PolarHBondContact O-N 2.8Å; W110-G112 VanDerWaalsContact C-N 3.26Å; W110-G112 PolarHBondContact O-N 2.98Å; W110-S113 WeakPolarHBondContact O-CB 3.29Å; W110-S113 PolarHBondContact O-N 3.24Å; W110-S113 PolarHBondContact O-OG 2.86Å; W110-L114 HydrophobicContact CD2-CD1 4.13Å; W110-L114 HydrophobicContact CE3-CD1 4.04Å; W110-L114 HydrophobicContact CH2-CD1 3.61Å; W110-L114 HydrophobicContact CZ2-CD1 3.7Å; W110-L114 HydrophobicContact CZ2-CD2 4.32Å; W110-L114 HydrophobicContact CZ3-CD1 3.79Å
111	L	98.8	Very high	98.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-55.9	-40.1	175.4	-73.6	174.4	0	0	0	112.8	L89 F107 N108 S113 L114 K119 V121 N166 C167	L89-L111 HydrophobicContact CD2-CD2 3.67Å; F107-L111 HydrophobicContact CD1-CD1 3.83Å; F107-L111 HydrophobicContact CD1-CG 4.36Å; F107-L111 HydrophobicContact CE1-CD1 3.35Å; F107-L111 HydrophobicContact CE1-CD2 4.43Å; F107-L111 HydrophobicContact CE1-CG 3.97Å; F107-L111 HydrophobicContact CE2-CD1 4.49Å; F107-L111 HydrophobicContact CE2-CD2 4.31Å; F107-L111 HydrophobicContact CE2-CG 4.23Å; F107-L111 HydrophobicContact CZ-CD1 3.73Å; F107-L111 HydrophobicContact CZ-CD2 3.94Å; F107-L111 HydrophobicContact CZ-CG 3.9Å; F107-L111 WeakPolarHBondContact O-CG 3.4Å; F107-L111 PolarHBondContact O-N 3.48Å; N108-L111 PolarHBondContact O-N 2.84Å; L111-S113 PolarHBondContact O-N 3.49Å; L111-L114 HydrophobicContact CD2-CD1 4.41Å; L111-L114 PolarHBondContact O-N 3.04Å; L111-K119 HydrophobicContact CD2-CB 4.29Å; L111-K119 HydrophobicContact CD2-CG 4.21Å; L111-K119 WeakPolarHBondContact O-CE 3.37Å; L111-V121 HydrophobicContact CD1-CG2 4.16Å; L111-N166 HydrophobicContact CB-CB 4.03Å; L111-C167 HydrophobicContact CD1-CB 3.94Å
112	G	98.6	Very high	98.6	Very high	40 Å²	40	45.7 Å²	45.7	41%	0.412	25%	0.247	S	C	.	.	H	α-helix	trans	-65.3	-24.2	178.4	0	0	0	0	0	113.9	N108 E109 W110 L114	N108-G112 PolarHBondContact O-N 3.06Å; E109-G112 PolarHBondContact O-N 2.86Å; W110-G112 VanDerWaalsContact C-N 3.26Å; W110-G112 PolarHBondContact O-N 2.98Å; G112-L114 VanDerWaalsContact C-N 3.33Å
113	S	98.4	Very high	98.7	Very high	90 Å²	90	41.9 Å²	41.9	63%	0.629	22%	0.22	S	C	*	.	H	α-helix	trans	-78.7	-15.9	175.9	77.6	0	0	0	0	113.8	E109 W110 L111	E109-S113 PolarHBondContact O-N 2.87Å; W110-S113 WeakPolarHBondContact O-CB 3.29Å; W110-S113 PolarHBondContact O-N 3.24Å; W110-S113 PolarHBondContact O-OG 2.86Å; L111-S113 PolarHBondContact O-N 3.49Å
114	L	98.7	Very high	98.7	Very high	18 Å²	18	40.7 Å²	40.7	9%	0.094	22%	0.215	C	C	.	.	S	Bend	trans	-86	141.7	-173.3	-57.7	174.9	0	0	0	112.2	M83 L89 W110 L111 G112 Y116 K119	M83-L114 HydrophobicContact CB-CD2 4.14Å; M83-L114 HydrophobicContact CE-CD1 4.46Å; M83-L114 HydrophobicContact CG-CD2 3.77Å; L89-L114 HydrophobicContact CD2-CD1 3.76Å; W110-L114 HydrophobicContact CD2-CD1 4.13Å; W110-L114 HydrophobicContact CE3-CD1 4.04Å; W110-L114 HydrophobicContact CH2-CD1 3.61Å; W110-L114 HydrophobicContact CZ2-CD1 3.7Å; W110-L114 HydrophobicContact CZ2-CD2 4.32Å; W110-L114 HydrophobicContact CZ3-CD1 3.79Å; L111-L114 HydrophobicContact CD2-CD1 4.41Å; L111-L114 PolarHBondContact O-N 3.04Å; G112-L114 VanDerWaalsContact C-N 3.33Å; L114-Y116 VanDerWaalsContact C-N 3.27Å; L114-Y116 HydrophobicContact CB-CD2 3.68Å; L114-Y116 HydrophobicContact CB-CE2 3.94Å; L114-Y116 HydrophobicContact CD1-CD2 4.16Å; L114-Y116 HydrophobicContact CD1-CE2 3.97Å; L114-Y116 HydrophobicContact CG-CD2 4.49Å; L114-Y116 HydrophobicContact CG-CE2 4.38Å; L114-Y116 PolarHBondContact O-N 3.25Å; L114-K119 WeakPolarHBondContact O-CE 3.33Å; L114-K119 PolarHBondContact O-NZ 3.3Å
115	P	98.1	Very high	98.6	Very high	117 Å²	117	40.8 Å²	40.8	76%	0.76	22%	0.215	S	C	*	.			trans	-79.7	-1.5	-172.1	33.5	-37.8	0	0	0	114.6
116	Y	98.7	Very high	98.6	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.016	20%	0.196	C	C	.	.			trans	-62.1	139.5	-178.1	-51.1	-63.1	0	0	0	111.6	V69 M83 P84 G86 L89 L114 Y118 K119	V69-Y116 HydrophobicContact CB-CE1 4.31Å; V69-Y116 HydrophobicContact CG2-CE1 3.72Å; M83-Y116 WeakPolarHBondContact CB-OH 3.25Å; M83-Y116 HydrophobicContact CE-CE2 3.76Å; M83-Y116 WeakPolarHBondContact CE-OH 3.48Å; P84-Y116 WeakPolarHBondContact O-CE1 3.26Å; P84-Y116 PolarHBondContact O-OH 3.46Å; G86-Y116 WeakPolarHBondContact O-CD1 3.25Å; L89-Y116 HydrophobicContact CB-CD2 3.62Å; L89-Y116 HydrophobicContact CB-CE2 4.12Å; L89-Y116 HydrophobicContact CB-CG 3.97Å; L89-Y116 HydrophobicContact CD1-CD2 4.48Å; L89-Y116 HydrophobicContact CD1-CE2 4.14Å; L89-Y116 HydrophobicContact CD2-CD2 4.01Å; L89-Y116 HydrophobicContact CD2-CE2 4.19Å; L89-Y116 HydrophobicContact CG-CD2 4.26Å; L89-Y116 HydrophobicContact CG-CE2 4.4Å; L114-Y116 VanDerWaalsContact C-N 3.27Å; L114-Y116 HydrophobicContact CB-CD2 3.68Å; L114-Y116 HydrophobicContact CB-CE2 3.94Å; L114-Y116 HydrophobicContact CD1-CD2 4.16Å; L114-Y116 HydrophobicContact CD1-CE2 3.97Å; L114-Y116 HydrophobicContact CG-CD2 4.49Å; L114-Y116 HydrophobicContact CG-CE2 4.38Å; L114-Y116 PolarHBondContact O-N 3.25Å; Y116-Y118 VanDerWaalsContact C-N 3.35Å; Y116-K119 VanDerWaalsContact O-CE 3.22Å; Y116-K119 WeakPolarHBondContact O-CE 3.26Å; Y116-K119 PolarHBondContact O-NZ 3.2Å
117	E	97.7	Very high	98.6	Very high	111 Å²	111	32.5 Å²	32.5	52%	0.519	18%	0.179	S	C	.	.	S	Bend	trans	-65.8	-42.8	179.8	-173.1	-177.2	-170.7	0	0	110.6	D87 R178	D87-E117 PolarHBondContact O-N 2.95Å; E117-R178 IonicContact OE2-CZ 2.75Å; E117-R178 IonicContact OE2-NH1 3.95Å; E117-R178 PolarHBondContact OE2-NH1 2.63Å
118	Y	98.7	Very high	98.5	Very high	77 Å²	77	32.3 Å²	32.3	30%	0.302	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	142.6	176.6	-59.6	-80.6	0	0	0	110.5	V88 L89 Y116 I168 V177 R178	V88-Y118 WeakPolarHBondContact CA-O 3.44Å; V88-Y118 HydrophobicContact CG2-CD2 4.29Å; L89-Y118 PolarHBondContact N-O 3.48Å; Y116-Y118 VanDerWaalsContact C-N 3.35Å; Y118-I168 HydrophobicContact CD1-CD1 3.96Å; Y118-V177 HydrophobicContact CD1-CB 4.38Å; Y118-V177 HydrophobicContact CD1-CG1 3.78Å; Y118-V177 HydrophobicContact CD2-CB 4.2Å; Y118-V177 HydrophobicContact CD2-CG1 4.47Å; Y118-V177 HydrophobicContact CE1-CG1 4.05Å; Y118-V177 HydrophobicContact CE2-CB 4.38Å; Y118-V177 HydrophobicContact CG-CB 4.19Å; Y118-V177 HydrophobicContact CG-CG1 4Å; Y118-R178 HydrophobicContact CD2-CG 4.26Å; Y118-R178 HydrophobicContact CE2-CG 3.88Å
119	K	98.9	Very high	98.4	Very high	27 Å²	27	31.7 Å²	31.7	12%	0.117	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	122.8	170.4	-61.4	83.1	165.7	-176.8	0	107	L89 L111 L114 Y116 C167 I168	L89-K119 HydrophobicContact CB-CB 4.33Å; L89-K119 HydrophobicContact CB-CG 4.03Å; L89-K119 HydrophobicContact CD2-CB 4.39Å; L89-K119 HydrophobicContact CD2-CG 3.95Å; L89-K119 CarbonylContact O-C 3.54Å; L89-K119 WeakPolarHBondContact O-CA 3.42Å; L111-K119 HydrophobicContact CD2-CB 4.29Å; L111-K119 HydrophobicContact CD2-CG 4.21Å; L111-K119 WeakPolarHBondContact O-CE 3.37Å; L114-K119 WeakPolarHBondContact O-CE 3.33Å; L114-K119 PolarHBondContact O-NZ 3.3Å; Y116-K119 VanDerWaalsContact O-CE 3.22Å; Y116-K119 WeakPolarHBondContact O-CE 3.26Å; Y116-K119 PolarHBondContact O-NZ 3.2Å; K119-C167 HydrophobicContact CB-CB 3.77Å; K119-C167 CarbonylContact O-C 3.59Å; K119-C167 VanDerWaalsContact O-CA 3.31Å; K119-C167 WeakPolarHBondContact O-CA 3.22Å; K119-C167 WeakPolarHBondContact O-CB 3.4Å; K119-I168 PolarHBondContact O-N 3.42Å
120	I	98.9	Very high	98.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128	-178.9	-54.4	178.8	0	0	0	107.6	V88 L89 I90 H91 I168 L170 V175 V177 I182 I219	V88-I120 HydrophobicContact CG1-CD1 4.07Å; V88-I120 HydrophobicContact CG1-CG1 4.32Å; L89-I120 PolarHBondContact O-N 3.45Å; I90-I120 CarbonylContact C-O 3.54Å; I90-I120 WeakPolarHBondContact CA-O 3.45Å; H91-I120 PolarHBondContact N-O 2.88Å; I120-I168 WeakPolarHBondContact CA-O 3.49Å; I120-L170 HydrophobicContact CG2-CD1 3.59Å; I120-L170 HydrophobicContact CG2-CG 4.02Å; I120-V175 HydrophobicContact CD1-CG1 4.23Å; I120-V177 HydrophobicContact CD1-CG2 3.91Å; I120-I182 HydrophobicContact CD1-CB 4.34Å; I120-I182 HydrophobicContact CD1-CD1 3.38Å; I120-I182 HydrophobicContact CD1-CG1 4.38Å; I120-I182 HydrophobicContact CD1-CG2 4.09Å; I120-I182 HydrophobicContact CG2-CG2 4.48Å; I120-I219 HydrophobicContact CB-CD1 4.4Å; I120-I219 HydrophobicContact CG2-CD1 3.65Å
121	V	98.9	Very high	98.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	135.7	-172.9	-179.6	0	0	0	0	109.1	H91 F95 F107 L111 C167 I168 Y169 L170	H91-V121 HydrophobicContact CB-CG1 4.42Å; H91-V121 HydrophobicContact CB-CG2 4.07Å; F95-V121 HydrophobicContact CD1-CG1 3.7Å; F95-V121 HydrophobicContact CE1-CG1 3.55Å; F95-V121 HydrophobicContact CZ-CG1 4.37Å; F107-V121 HydrophobicContact CE1-CG1 4.09Å; F107-V121 HydrophobicContact CE1-CG2 4.16Å; F107-V121 HydrophobicContact CZ-CG1 4.48Å; F107-V121 HydrophobicContact CZ-CG2 4.28Å; L111-V121 HydrophobicContact CD1-CG2 4.16Å; V121-C167 HydrophobicContact CG2-CB 3.72Å; V121-I168 PolarHBondContact N-O 2.82Å; V121-Y169 HydrophobicContact CG1-CD2 4.38Å; V121-Y169 CarbonylContact O-C 3.6Å; V121-Y169 WeakPolarHBondContact O-CA 3.07Å; V121-Y169 WeakPolarHBondContact O-CD2 3.38Å; V121-L170 PolarHBondContact O-N 3.04Å
122	I	98.9	Very high	97.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	164.3	160.8	64.4	162.8	0	0	0	108.9	H91 G93 F95 L170 S185 I219 H221	H91-I122 PolarHBondContact O-N 2.88Å; H91-I122 VanDerWaalsContact O-N 3.14Å; G93-I122 WeakPolarHBondContact CA-O 3.44Å; G93-I122 PolarHBondContact N-O 3.03Å; F95-I122 WeakPolarHBondContact CE1-O 3.37Å; I122-L170 HydrophobicContact CG2-CB 4.09Å; I122-L170 WeakPolarHBondContact CG2-O 3.27Å; I122-S185 WeakPolarHBondContact CD1-O 3.37Å; I122-I219 HydrophobicContact CD1-CB 4.49Å; I122-I219 HydrophobicContact CD1-CG2 3.68Å; I122-I219 HydrophobicContact CG1-CG2 3.84Å; I122-I219 HydrophobicContact CG2-CB 4.25Å; I122-I219 HydrophobicContact CG2-CG2 4.08Å; I122-H221 HydrophobicContact CD1-CB 4.17Å; I122-H221 VanDerWaalsContact CD1-N 3.33Å
123	A	98.9	Very high	97.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.173	C	C	.	.			trans	-79	161.4	167.2	0	0	0	0	0	111.8	G93 E127 F130 Y169 P186 F196	G93-A123 VanDerWaalsContact CA-C 3.49Å; A123-E127 HydrophobicContact CB-CB 3.8Å; A123-E127 HydrophobicContact CB-CG 4.11Å; A123-F130 HydrophobicContact CB-CB 4.46Å; A123-F130 HydrophobicContact CB-CD1 4.36Å; A123-Y169 HydrophobicContact CB-CE2 4.17Å; A123-Y169 WeakPolarHBondContact CB-OH 3.48Å; A123-P186 HydrophobicContact CB-CB 4.01Å; A123-P186 WeakPolarHBondContact O-CA 3.34Å; A123-P186 VanDerWaalsContact O-CB 3.23Å; A123-P186 WeakPolarHBondContact O-CB 3.22Å; A123-F196 HydrophobicContact CB-CD2 4.3Å; A123-F196 HydrophobicContact CB-CE2 3.63Å; A123-F196 HydrophobicContact CB-CZ 4.05Å
124	G	98.6	Very high	97.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.151	C	C	.	.			trans	-124.3	-165.8	165.1	0	0	0	0	0	111.8	D94 H126 E127 F196 H221	D94-G124 VanDerWaalsContact OD1-CA 3.22Å; D94-G124 WeakPolarHBondContact OD1-CA 3.32Å; G124-H126 PolarHBondContact O-N 2.99Å; G124-E127 PolarHBondContact N-OE2 3.48Å; G124-E127 PolarHBondContact O-N 3.03Å; G124-F196 VanDerWaalsContact O-CD2 3.3Å; G124-F196 WeakPolarHBondContact O-CD2 3.19Å; G124-H221 WeakPolarHBondContact CA-CD2 3.34Å
125	N	98.1	Very high	96.9	Very high	2 Å²	2	30 Å²	30	1%	0.011	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-26.4	-179.2	39.1	-74.5	0	0	0	114.7	D94 E127 L128 Q188 W194 G195 H221 H260	D94-N125 PolarHBondContact OD1-N 2.8Å; D94-N125 PolarHBondContact OD2-OD1 2.79Å; N125-E127 VanDerWaalsContact C-N 3.32Å; N125-L128 VanDerWaalsContact O-CD2 3.32Å; N125-L128 WeakPolarHBondContact O-CD2 3.37Å; N125-Q188 VanDerWaalsContact CG-NE2 3.31Å; N125-Q188 PolarHBondContact OD1-NE2 3.04Å; N125-W194 HydrophobicContact CB-CB 3.48Å; N125-W194 VanDerWaalsContact CB-CB 3.48Å; N125-W194 HydrophobicContact CB-CG 4.14Å; N125-G195 WeakPolarHBondContact CA-O 3.26Å; N125-G195 PolarHBondContact O-N 3.17Å; N125-H221 PolarHBondContact OD1-CD2 2.83Å; N125-H221 PolarHBondContact OD1-NE2 3.14Å; N125-H260 PolarHBondContact OD1-CE1 2.81Å; N125-H260 PolarHBondContact OD1-ND1 3.3Å
126	H	98.1	Very high	96.4	Very high	13 Å²	13	26.3 Å²	26.3	6%	0.06	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-16.9	-176.6	-78.5	-102.8	0	0	0	113	H75 D94 T96 E97 L98 G99 G124 L128 W194	H75-H126 AromaticContact CE1-CD2 3.4Å; H75-H126 PolarHBondContact CE1-CD2 2.9Å; H75-H126 VanDerWaalsContact CE1-CD2 3.4Å; H75-H126 AromaticContact CE1-CE1 3.92Å; H75-H126 AromaticContact CE1-CG 3.77Å; H75-H126 AromaticContact CE1-NE2 3.54Å; H75-H126 AromaticContact ND1-CD2 3.84Å; H75-H126 AromaticContact ND1-CG 3.71Å; H75-H126 AromaticContact ND1-ND1 3.83Å; D94-H126 HydrophobicContact CB-CB 4.47Å; D94-H126 VanDerWaalsContact CG-CD2 3.5Å; D94-H126 WeakPolarHBondContact OD1-CB 3.3Å; D94-H126 IonicContact OD1-CD2 3.35Å; D94-H126 IonicContact OD1-CG 3.73Å; D94-H126 PolarHBondContact OD1-N 2.87Å; D94-H126 IonicContact OD2-CD2 3.33Å; D94-H126 PolarHBondContact OD2-CD2 3.09Å; D94-H126 IonicContact OD2-CG 2.96Å; D94-H126 IonicContact OD2-NE2 3.64Å; T96-H126 VanDerWaalsContact O-CB 3.22Å; T96-H126 WeakPolarHBondContact O-CB 3.43Å; E97-H126 PolarHBondContact O-ND1 2.83Å; L98-H126 CarbonylContact C-O 3.09Å; L98-H126 VanDerWaalsContact CA-O 3.22Å; L98-H126 WeakPolarHBondContact CA-O 3.48Å; G99-H126 PolarHBondContact N-O 3.39Å; G124-H126 PolarHBondContact O-N 2.99Å; H126-L128 PolarHBondContact O-N 3.05Å; H126-W194 AromaticContact CE1-CH2 3.36Å; H126-W194 WeakPolarHBondContact CE1-CH2 3.12Å; H126-W194 AromaticContact CE1-CZ2 3.78Å; H126-W194 AromaticContact CE1-CZ3 3.59Å; H126-W194 AromaticContact CG-CZ3 3.93Å; H126-W194 AromaticContact ND1-CH2 3.61Å; H126-W194 AromaticContact ND1-CZ3 3.42Å; H126-W194 WeakPolarHBondContact ND1-CZ3 3.32Å
127	E	98.3	Very high	95.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.145	C	C	.	.			trans	-77.5	56.2	174.4	-80.9	72.6	-115	0	0	112	D94 F95 T96 A123 G124 N125 T129 F130 F196	D94-E127 VanDerWaalsContact CA-OE2 3.32Å; D94-E127 WeakPolarHBondContact CA-OE2 3.44Å; D94-E127 PolarHBondContact N-OE2 2.96Å; F95-E127 HydrophobicContact CD1-CG 4.22Å; F95-E127 HydrophobicContact CD2-CG 4.37Å; F95-E127 HydrophobicContact CE1-CG 3.62Å; F95-E127 HydrophobicContact CE2-CG 3.78Å; F95-E127 HydrophobicContact CZ-CG 3.36Å; F95-E127 PolarHBondContact N-OE1 3.39Å; T96-E127 WeakPolarHBondContact CB-OE1 3.43Å; T96-E127 PolarHBondContact N-OE1 3.11Å; T96-E127 PolarHBondContact OG1-OE1 3.43Å; A123-E127 HydrophobicContact CB-CB 3.8Å; A123-E127 HydrophobicContact CB-CG 4.11Å; G124-E127 PolarHBondContact N-OE2 3.48Å; G124-E127 PolarHBondContact O-N 3.03Å; N125-E127 VanDerWaalsContact C-N 3.32Å; E127-T129 PolarHBondContact O-N 3.13Å; E127-T129 VanDerWaalsContact O-N 3.12Å; E127-F130 HydrophobicContact CB-CB 4.14Å; E127-F130 HydrophobicContact CB-CD2 3.72Å; E127-F130 HydrophobicContact CB-CE2 4.32Å; E127-F130 HydrophobicContact CB-CG 3.94Å; E127-F130 HydrophobicContact CG-CD2 4.01Å; E127-F130 HydrophobicContact CG-CE2 4.11Å; E127-F130 HydrophobicContact CG-CG 4.4Å; E127-F130 WeakPolarHBondContact O-CB 3.42Å; E127-F130 PolarHBondContact O-N 3.42Å; E127-F196 HydrophobicContact CB-CE2 4.46Å
128	L	96.3	Very high	95.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-53.1	-39.5	-173.5	-62.4	-179.3	0	0	0	113.2	L98 N125 H126 F130 D131 F134 M135 F146 V149 W194 G195	L98-L128 HydrophobicContact CD2-CD1 4.03Å; N125-L128 VanDerWaalsContact O-CD2 3.32Å; N125-L128 WeakPolarHBondContact O-CD2 3.37Å; H126-L128 PolarHBondContact O-N 3.05Å; L128-F130 PolarHBondContact O-N 3.07Å; L128-D131 PolarHBondContact O-N 3.1Å; L128-F134 HydrophobicContact CB-CD1 4.25Å; L128-F134 HydrophobicContact CB-CE1 4.08Å; L128-F134 HydrophobicContact CD1-CE1 4.15Å; L128-F134 HydrophobicContact CD2-CD1 4.08Å; L128-F134 HydrophobicContact CD2-CE1 3.63Å; L128-F134 HydrophobicContact CD2-CZ 3.91Å; L128-F134 HydrophobicContact CG-CE1 4.17Å; L128-M135 WeakPolarHBondContact O-CG 3.42Å; L128-F146 HydrophobicContact CD1-CD1 3.98Å; L128-F146 HydrophobicContact CD1-CD2 3.92Å; L128-F146 HydrophobicContact CD1-CE1 4.1Å; L128-F146 HydrophobicContact CD1-CE2 4.03Å; L128-F146 HydrophobicContact CD1-CG 3.89Å; L128-F146 HydrophobicContact CD1-CZ 4.11Å; L128-V149 HydrophobicContact CB-CG1 4.41Å; L128-V149 HydrophobicContact CD1-CG2 4.1Å; L128-W194 HydrophobicContact CD1-CE3 4.32Å; L128-W194 HydrophobicContact CD1-CZ3 4.26Å; L128-W194 HydrophobicContact CD2-CB 4.48Å; L128-W194 HydrophobicContact CD2-CE3 3.84Å; L128-W194 HydrophobicContact CG-CE3 4.26Å; L128-W194 HydrophobicContact CG-CZ3 4.49Å; L128-G195 VanDerWaalsContact CD2-N 3.29Å
129	T	96.8	Very high	94.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-70.2	-13.4	-179.7	57.3	0	0	0	0	114.4	G99 E127 Q132 M135 V149 L152	G99-T129 WeakPolarHBondContact O-CB 3.39Å; G99-T129 WeakPolarHBondContact O-CG2 3.39Å; G99-T129 PolarHBondContact O-OG1 3Å; E127-T129 PolarHBondContact O-N 3.13Å; E127-T129 VanDerWaalsContact O-N 3.12Å; T129-Q132 PolarHBondContact O-NE2 3.1Å; T129-M135 HydrophobicContact CG2-CE 4.48Å; T129-M135 HydrophobicContact CG2-SD 4.39Å; T129-V149 HydrophobicContact CG2-CG1 4.44Å; T129-L152 HydrophobicContact CG2-CD1 3.67Å
130	F	97.5	Very high	93.3	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.009	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-84.9	-22.6	176.9	-70.6	-125.3	0	0	0	111	F95 V104 A123 E127 L128 Q132 V160 Q161 L164 Y169 F196	F95-F130 HydrophobicContact CE2-CE2 4.48Å; F95-F130 HydrophobicContact CE2-CZ 4.07Å; F95-F130 AromaticContact CZ-CE1 3.93Å; F95-F130 HydrophobicContact CZ-CE1 3.93Å; F95-F130 HydrophobicContact CZ-CE2 4.27Å; F95-F130 AromaticContact CZ-CZ 3.69Å; F95-F130 HydrophobicContact CZ-CZ 3.69Å; V104-F130 HydrophobicContact CG1-CZ 4.09Å; V104-F130 HydrophobicContact CG2-CE2 3.69Å; V104-F130 HydrophobicContact CG2-CZ 4.03Å; A123-F130 HydrophobicContact CB-CB 4.46Å; A123-F130 HydrophobicContact CB-CD1 4.36Å; E127-F130 HydrophobicContact CB-CB 4.14Å; E127-F130 HydrophobicContact CB-CD2 3.72Å; E127-F130 HydrophobicContact CB-CE2 4.32Å; E127-F130 HydrophobicContact CB-CG 3.94Å; E127-F130 HydrophobicContact CG-CD2 4.01Å; E127-F130 HydrophobicContact CG-CE2 4.11Å; E127-F130 HydrophobicContact CG-CG 4.4Å; E127-F130 WeakPolarHBondContact O-CB 3.42Å; E127-F130 PolarHBondContact O-N 3.42Å; L128-F130 PolarHBondContact O-N 3.07Å; F130-Q132 PolarHBondContact O-N 2.87Å; F130-V160 HydrophobicContact CD1-CG1 4.43Å; F130-V160 HydrophobicContact CD2-CG1 3.51Å; F130-V160 HydrophobicContact CD2-CG2 4.41Å; F130-V160 HydrophobicContact CE1-CG1 4.49Å; F130-V160 HydrophobicContact CE2-CB 4.28Å; F130-V160 HydrophobicContact CE2-CG1 3.56Å; F130-V160 HydrophobicContact CE2-CG2 3.76Å; F130-V160 HydrophobicContact CG-CG1 3.94Å; F130-V160 HydrophobicContact CZ-CG1 4.06Å; F130-V160 HydrophobicContact CZ-CG2 4.29Å; F130-Q161 HydrophobicContact CD1-CG 3.33Å; F130-Q161 HydrophobicContact CE1-CB 4.22Å; F130-Q161 HydrophobicContact CE1-CG 3.44Å; F130-Q161 VanDerWaalsContact CE1-CG 3.44Å; F130-Q161 HydrophobicContact CG-CG 4.21Å; F130-Q161 HydrophobicContact CZ-CG 4.38Å; F130-L164 HydrophobicContact CE1-CD1 3.91Å; F130-L164 HydrophobicContact CZ-CD1 4.09Å; F130-Y169 HydrophobicContact CD1-CE1 4.36Å; F130-Y169 AromaticContact CD1-CE2 3.93Å; F130-Y169 HydrophobicContact CD1-CE2 3.93Å; F130-Y169 AromaticContact CD1-CZ 3.67Å; F130-Y169 WeakPolarHBondContact CD1-OH 3.23Å; F130-Y169 HydrophobicContact CE1-CD2 4.39Å; F130-Y169 AromaticContact CE1-CE2 3.87Å; F130-Y169 HydrophobicContact CE1-CE2 3.87Å; F130-F196 HydrophobicContact CB-CE2 3.85Å; F130-F196 HydrophobicContact CB-CZ 3.69Å
131	D	96.1	Very high	91.8	Very high	13 Å²	13	36.3 Å²	36.3	7%	0.07	18%	0.178	C	C	.	.			trans	-91	97.6	175.4	-173.4	-18	0	0	0	110.3	L128 E133 F134 M135 F196	L128-D131 PolarHBondContact O-N 3.1Å; D131-E133 VanDerWaalsContact C-N 3.31Å; D131-E133 PolarHBondContact O-N 3.18Å; D131-E133 PolarHBondContact OD1-N 3.1Å; D131-E133 VanDerWaalsContact OD1-N 3.17Å; D131-F134 HydrophobicContact CB-CB 3.75Å; D131-F134 PolarHBondContact O-N 3.29Å; D131-F134 PolarHBondContact OD1-N 3.11Å; D131-F134 WeakPolarHBondContact OD2-CB 3.42Å; D131-M135 WeakPolarHBondContact O-CG 3.49Å; D131-M135 PolarHBondContact O-N 3.37Å; D131-F196 HydrophobicContact CB-CD1 4.31Å; D131-F196 HydrophobicContact CB-CD2 4.23Å; D131-F196 HydrophobicContact CB-CE1 4.07Å; D131-F196 HydrophobicContact CB-CE2 3.98Å; D131-F196 HydrophobicContact CB-CG 4.41Å; D131-F196 HydrophobicContact CB-CZ 3.91Å; D131-F196 PolarHBondContact OD2-N 3.43Å
132	Q	92.4	Very high	89.9	Confident	84 Å²	84	42.7 Å²	42.7	39%	0.393	21%	0.212	S	C	.	.	H	α-helix	trans	-66.7	-32.6	-176.8	-60.3	-57.3	-45	0	0	112.7	T129 F130 A136	T129-Q132 PolarHBondContact O-NE2 3.1Å; F130-Q132 PolarHBondContact O-N 2.87Å; Q132-A136 WeakPolarHBondContact O-CB 3.47Å; Q132-A136 PolarHBondContact O-N 3.13Å
133	E	91.3	Very high	88.1	Confident	142 Å²	142	47.2 Å²	47.2	66%	0.664	23%	0.232	S	C	*	.	H	α-helix	trans	-69.5	-46.4	177.7	-68.6	-177.2	-179	0	0	109.7	D131 M135 A136 D137	D131-E133 VanDerWaalsContact C-N 3.31Å; D131-E133 PolarHBondContact O-N 3.18Å; D131-E133 PolarHBondContact OD1-N 3.1Å; D131-E133 VanDerWaalsContact OD1-N 3.17Å; E133-M135 PolarHBondContact O-N 2.97Å; E133-A136 PolarHBondContact O-N 3.25Å; E133-D137 PolarHBondContact O-N 3.29Å
134	F	91.9	Very high	86.4	Confident	38 Å²	38	56.8 Å²	56.8	17%	0.167	27%	0.27	C	S	.	.	H	α-helix	trans	-57	-48	174	-179.4	-90.6	0	0	0	112.1	L128 D131 A136 D137 L138 F146 G193	L128-F134 HydrophobicContact CB-CD1 4.25Å; L128-F134 HydrophobicContact CB-CE1 4.08Å; L128-F134 HydrophobicContact CD1-CE1 4.15Å; L128-F134 HydrophobicContact CD2-CD1 4.08Å; L128-F134 HydrophobicContact CD2-CE1 3.63Å; L128-F134 HydrophobicContact CD2-CZ 3.91Å; L128-F134 HydrophobicContact CG-CE1 4.17Å; D131-F134 HydrophobicContact CB-CB 3.75Å; D131-F134 PolarHBondContact O-N 3.29Å; D131-F134 PolarHBondContact OD1-N 3.11Å; D131-F134 WeakPolarHBondContact OD2-CB 3.42Å; F134-A136 VanDerWaalsContact C-N 3.34Å; F134-A136 PolarHBondContact O-N 3Å; F134-D137 PolarHBondContact O-N 2.95Å; F134-L138 HydrophobicContact CE1-CB 4.33Å; F134-L138 HydrophobicContact CE1-CD1 4.46Å; F134-L138 HydrophobicContact CE1-CD2 4.09Å; F134-L138 HydrophobicContact CZ-CD1 4.4Å; F134-L138 WeakPolarHBondContact O-CB 3.24Å; F134-L138 PolarHBondContact O-N 2.72Å; F134-F146 HydrophobicContact CZ-CD2 4.08Å; F134-F146 AromaticContact CZ-CE2 3.89Å; F134-F146 HydrophobicContact CZ-CE2 3.89Å; F134-G193 VanDerWaalsContact CE2-O 3.26Å; F134-G193 WeakPolarHBondContact CE2-O 3.48Å
135	M	91.5	Very high	85.2	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-61.5	-41.3	178.5	-73.6	-61.7	-66.7	0	0	112.3	L128 T129 D131 E133 D137 L138 I139 V149 Y157	L128-M135 WeakPolarHBondContact O-CG 3.42Å; T129-M135 HydrophobicContact CG2-CE 4.48Å; T129-M135 HydrophobicContact CG2-SD 4.39Å; D131-M135 WeakPolarHBondContact O-CG 3.49Å; D131-M135 PolarHBondContact O-N 3.37Å; E133-M135 PolarHBondContact O-N 2.97Å; M135-D137 VanDerWaalsContact C-N 3.29Å; M135-D137 PolarHBondContact O-N 2.99Å; M135-L138 PolarHBondContact O-N 3.05Å; M135-L138 HydrophobicContact SD-CD2 4.4Å; M135-I139 WeakPolarHBondContact O-CD1 3.46Å; M135-I139 VanDerWaalsContact O-CG1 3.3Å; M135-I139 WeakPolarHBondContact O-CG1 3.43Å; M135-I139 PolarHBondContact O-N 3.07Å; M135-V149 HydrophobicContact CE-CG1 3.72Å; M135-V149 HydrophobicContact SD-CG1 3.43Å; M135-V149 WeakPolarHBondContact SD-CG1 3.46Å; M135-Y157 HydrophobicContact CB-CD2 4.48Å; M135-Y157 HydrophobicContact CB-CE2 3.77Å; M135-Y157 HydrophobicContact CE-CD1 3.67Å; M135-Y157 HydrophobicContact CE-CD2 4.16Å; M135-Y157 HydrophobicContact CE-CE1 3.42Å; M135-Y157 VanDerWaalsContact CE-CE1 3.42Å; M135-Y157 HydrophobicContact CE-CE2 3.99Å; M135-Y157 HydrophobicContact CE-CG 4.03Å; M135-Y157 HydrophobicContact CG-CD2 4.2Å; M135-Y157 HydrophobicContact CG-CE2 3.97Å
136	A	88.8	Confident	84.5	Confident	39 Å²	39	64.1 Å²	64.1	32%	0.322	30%	0.299	S	S	.	.	H	α-helix	trans	-63.3	-36.1	177.9	0	0	0	0	0	112.4	Q132 E133 F134 K140	Q132-A136 WeakPolarHBondContact O-CB 3.47Å; Q132-A136 PolarHBondContact O-N 3.13Å; E133-A136 PolarHBondContact O-N 3.25Å; F134-A136 VanDerWaalsContact C-N 3.34Å; F134-A136 PolarHBondContact O-N 3Å; A136-K140 WeakPolarHBondContact O-CD 3.31Å; A136-K140 WeakPolarHBondContact O-CE 3.37Å; A136-K140 VanDerWaalsContact O-CG 3.31Å; A136-K140 WeakPolarHBondContact O-CG 3.46Å
137	D	86.7	Confident	83.8	Confident	76 Å²	76	66.4 Å²	66.4	41%	0.406	32%	0.315	S	S	.	.	H	α-helix	trans	-80	-37.4	178.5	-75.9	-10.5	0	0	0	112.8	E133 F134 M135 I139 K140 Q141	E133-D137 PolarHBondContact O-N 3.29Å; F134-D137 PolarHBondContact O-N 2.95Å; M135-D137 VanDerWaalsContact C-N 3.29Å; M135-D137 PolarHBondContact O-N 2.99Å; D137-I139 VanDerWaalsContact C-N 3.27Å; D137-I139 PolarHBondContact O-N 2.78Å; D137-K140 PolarHBondContact O-N 3.22Å; D137-K140 IonicContact OD1-NZ 3.42Å; D137-K140 PolarHBondContact OD1-NZ 3.5Å; D137-Q141 WeakPolarHBondContact O-CG 3.34Å; D137-Q141 PolarHBondContact O-N 2.68Å
138	L	84.4	Confident	83.2	Confident	9 Å²	9	69.6 Å²	69.6	5%	0.047	34%	0.337	C	S	.	.	H	α-helix	trans	-56.8	-42.4	175.5	-175.4	71.6	0	0	0	111.5	F134 M135 F143 F146 V149	F134-L138 HydrophobicContact CE1-CB 4.33Å; F134-L138 HydrophobicContact CE1-CD1 4.46Å; F134-L138 HydrophobicContact CE1-CD2 4.09Å; F134-L138 HydrophobicContact CZ-CD1 4.4Å; F134-L138 WeakPolarHBondContact O-CB 3.24Å; F134-L138 PolarHBondContact O-N 2.72Å; M135-L138 PolarHBondContact O-N 3.05Å; M135-L138 HydrophobicContact SD-CD2 4.4Å; L138-F143 HydrophobicContact CD1-CB 3.63Å; L138-F143 HydrophobicContact CD1-CG 4.45Å; L138-F146 HydrophobicContact CD1-CD2 4.2Å; L138-F146 HydrophobicContact CD2-CB 4.45Å; L138-V149 HydrophobicContact CD2-CB 4.22Å; L138-V149 HydrophobicContact CD2-CG1 3.83Å
139	I	78	Confident	82.7	Confident	76 Å²	76	69.6 Å²	69.6	39%	0.39	34%	0.337	S	S	.	.	H	α-helix	trans	-69.6	-35.3	-179.2	-67.5	167.1	0	0	0	111.8	M135 D137 Y157	M135-I139 WeakPolarHBondContact O-CD1 3.46Å; M135-I139 VanDerWaalsContact O-CG1 3.3Å; M135-I139 WeakPolarHBondContact O-CG1 3.43Å; M135-I139 PolarHBondContact O-N 3.07Å; D137-I139 VanDerWaalsContact C-N 3.27Å; D137-I139 PolarHBondContact O-N 2.78Å; I139-Y157 VanDerWaalsContact CD1-OH 3.24Å; I139-Y157 WeakPolarHBondContact CD1-OH 3.28Å
140	K	77.8	Confident	82.1	Confident	152 Å²	152	71.6 Å²	71.6	66%	0.661	35%	0.351	S	S	*	.	H	α-helix	trans	-73.1	-28.7	-178.3	-71.8	168.9	-165.4	158.9	0	113.5	A136 D137	A136-K140 WeakPolarHBondContact O-CD 3.31Å; A136-K140 WeakPolarHBondContact O-CE 3.37Å; A136-K140 VanDerWaalsContact O-CG 3.31Å; A136-K140 WeakPolarHBondContact O-CG 3.46Å; D137-K140 PolarHBondContact O-N 3.22Å; D137-K140 IonicContact OD1-NZ 3.42Å; D137-K140 PolarHBondContact OD1-NZ 3.5Å
141	Q	68.4	Low	81.5	Confident	116 Å²	116	79.4 Å²	79.4	54%	0.542	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	10.2	-168.7	-62.5	-177.1	31.6	0	0	113.9	D137 F143	D137-Q141 WeakPolarHBondContact O-CG 3.34Å; D137-Q141 PolarHBondContact O-N 2.68Å; Q141-F143 HydrophobicContact CB-CD2 3.44Å; Q141-F143 VanDerWaalsContact CB-CD2 3.44Å; Q141-F143 HydrophobicContact CB-CE2 3.92Å; Q141-F143 PolarHBondContact O-N 3.1Å; Q141-F143 VanDerWaalsContact O-N 3.09Å
142	D	59.3	Low	81.1	Confident	134 Å²	134	80.5 Å²	80.5	72%	0.717	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	36.8	-176.1	-88.1	-23	0	0	0	112.6	Y144	D142-Y144 VanDerWaalsContact O-CD2 3.28Å; D142-Y144 WeakPolarHBondContact O-CD2 3.27Å; D142-Y144 PolarHBondContact O-N 3.07Å
143	F	60.9	Low	80.8	Confident	95 Å²	95	83.4 Å²	83.4	42%	0.417	40%	0.402	S	S	.	.			trans	-72.4	104.7	-172.6	-110.4	-108.9	0	0	0	110.9	L138 Q141 Y145	L138-F143 HydrophobicContact CD1-CB 3.63Å; L138-F143 HydrophobicContact CD1-CG 4.45Å; Q141-F143 HydrophobicContact CB-CD2 3.44Å; Q141-F143 VanDerWaalsContact CB-CD2 3.44Å; Q141-F143 HydrophobicContact CB-CE2 3.92Å; Q141-F143 PolarHBondContact O-N 3.1Å; Q141-F143 VanDerWaalsContact O-N 3.09Å; F143-Y145 PolarHBondContact O-N 3.28Å; F143-Y145 VanDerWaalsContact O-N 3.16Å
144	Y	63	Low	80.6	Confident	201 Å²	201	79.8 Å²	79.8	79%	0.788	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	2	169.8	-73.6	-87.7	0	0	0	113.8	D142 P147	D142-Y144 VanDerWaalsContact O-CD2 3.28Å; D142-Y144 WeakPolarHBondContact O-CD2 3.27Å; D142-Y144 PolarHBondContact O-N 3.07Å; Y144-P147 WeakPolarHBondContact O-CD 3.33Å
145	Y	73.9	Confident	80.4	Confident	142 Å²	142	84.8 Å²	84.8	56%	0.557	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-34.4	-176.6	-161.6	-98.7	0	0	0	112.6	F143 P147	F143-Y145 PolarHBondContact O-N 3.28Å; F143-Y145 VanDerWaalsContact O-N 3.16Å; Y145-P147 WeakPolarHBondContact O-CD 3.41Å
146	F	82.8	Confident	80.2	Confident	14 Å²	14	87.5 Å²	87.5	6%	0.061	43%	0.433	C	S	.	.	S	Bend	trans	-123.4	71.6	175.3	-63.1	-64.1	0	0	0	111.1	L98 L128 F134 L138 S148 V149 S150 W194	L98-F146 HydrophobicContact CD2-CD1 3.67Å; L98-F146 HydrophobicContact CD2-CE1 3.91Å; L128-F146 HydrophobicContact CD1-CD1 3.98Å; L128-F146 HydrophobicContact CD1-CD2 3.92Å; L128-F146 HydrophobicContact CD1-CE1 4.1Å; L128-F146 HydrophobicContact CD1-CE2 4.03Å; L128-F146 HydrophobicContact CD1-CG 3.89Å; L128-F146 HydrophobicContact CD1-CZ 4.11Å; F134-F146 HydrophobicContact CZ-CD2 4.08Å; F134-F146 AromaticContact CZ-CE2 3.89Å; F134-F146 HydrophobicContact CZ-CE2 3.89Å; L138-F146 HydrophobicContact CD1-CD2 4.2Å; L138-F146 HydrophobicContact CD2-CB 4.45Å; F146-S148 PolarHBondContact O-N 2.84Å; F146-S148 VanDerWaalsContact O-N 3.16Å; F146-V149 HydrophobicContact CB-CB 4.08Å; F146-V149 HydrophobicContact CB-CG2 4.3Å; F146-V149 PolarHBondContact O-N 3.28Å; F146-S150 PolarHBondContact O-N 2.84Å; F146-S150 PolarHBondContact O-OG 2.84Å; F146-W194 HydrophobicContact CE1-CE3 4.18Å; F146-W194 AromaticContact CE1-CH2 3.59Å; F146-W194 HydrophobicContact CE1-CH2 3.59Å; F146-W194 AromaticContact CE1-CZ2 3.98Å; F146-W194 HydrophobicContact CE1-CZ2 3.98Å; F146-W194 AromaticContact CE1-CZ3 3.72Å; F146-W194 HydrophobicContact CE1-CZ3 3.72Å; F146-W194 AromaticContact CZ-CD2 3.97Å; F146-W194 HydrophobicContact CZ-CD2 3.97Å; F146-W194 AromaticContact CZ-CE3 3.9Å; F146-W194 HydrophobicContact CZ-CE3 3.9Å; F146-W194 HydrophobicContact CZ-CH2 4.02Å; F146-W194 HydrophobicContact CZ-CZ2 4.11Å; F146-W194 AromaticContact CZ-CZ3 3.93Å; F146-W194 HydrophobicContact CZ-CZ3 3.93Å
147	P	83.7	Confident	80.1	Confident	61 Å²	61	86.3 Å²	86.3	40%	0.396	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-24.6	-168.4	27.2	-34.9	0	0	0	113.9	Y144 Y145 S150 K151	Y144-P147 WeakPolarHBondContact O-CD 3.33Å; Y145-P147 WeakPolarHBondContact O-CD 3.41Å; P147-S150 WeakPolarHBondContact CA-OG 3.45Å; P147-K151 VanDerWaalsContact O-CD 3.25Å; P147-K151 WeakPolarHBondContact O-CD 3.43Å; P147-K151 WeakPolarHBondContact O-CE 3.49Å; P147-K151 VanDerWaalsContact O-CG 3.23Å; P147-K151 WeakPolarHBondContact O-CG 3.24Å
148	S	86.3	Confident	80.2	Confident	66 Å²	66	88.7 Å²	88.7	46%	0.462	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-32.6	176	-58	0	0	0	0	112.1	F146	F146-S148 PolarHBondContact O-N 2.84Å; F146-S148 VanDerWaalsContact O-N 3.16Å
149	V	85.9	Confident	80.3	Confident	0 Å²	0	93.7 Å²	93.7	0%	0	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-41.5	-178.3	-178.6	0	0	0	0	110.7	L98 L100 L128 T129 M135 L138 F146 K151 L152	L98-V149 HydrophobicContact CB-CG2 3.85Å; L98-V149 HydrophobicContact CD1-CG2 4.36Å; L98-V149 HydrophobicContact CG-CG2 4.49Å; L100-V149 HydrophobicContact CD2-CG2 3.97Å; L128-V149 HydrophobicContact CB-CG1 4.41Å; L128-V149 HydrophobicContact CD1-CG2 4.1Å; T129-V149 HydrophobicContact CG2-CG1 4.44Å; M135-V149 HydrophobicContact CE-CG1 3.72Å; M135-V149 HydrophobicContact SD-CG1 3.43Å; M135-V149 WeakPolarHBondContact SD-CG1 3.46Å; L138-V149 HydrophobicContact CD2-CB 4.22Å; L138-V149 HydrophobicContact CD2-CG1 3.83Å; F146-V149 HydrophobicContact CB-CB 4.08Å; F146-V149 HydrophobicContact CB-CG2 4.3Å; F146-V149 PolarHBondContact O-N 3.28Å; V149-K151 PolarHBondContact O-N 3.28Å; V149-K151 VanDerWaalsContact O-N 3.12Å; V149-L152 HydrophobicContact CG1-CD1 4.38Å; V149-L152 VanDerWaalsContact O-CB 3.3Å; V149-L152 WeakPolarHBondContact O-CB 3.46Å; V149-L152 WeakPolarHBondContact O-CG 3.2Å; V149-L152 PolarHBondContact O-N 3.39Å
150	S	83.1	Confident	81.1	Confident	42 Å²	42	90.2 Å²	90.2	29%	0.294	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-16.9	179.8	62	0	0	0	0	114.1	F146 P147	F146-S150 PolarHBondContact O-N 2.84Å; F146-S150 PolarHBondContact O-OG 2.84Å; P147-S150 WeakPolarHBondContact CA-OG 3.45Å
151	K	85.8	Confident	82	Confident	167 Å²	167	86.3 Å²	86.3	73%	0.726	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-8.4	174.4	-69.6	175	-171	176.1	0	113.8	P147 V149	P147-K151 VanDerWaalsContact O-CD 3.25Å; P147-K151 WeakPolarHBondContact O-CD 3.43Å; P147-K151 WeakPolarHBondContact O-CE 3.49Å; P147-K151 VanDerWaalsContact O-CG 3.23Å; P147-K151 WeakPolarHBondContact O-CG 3.24Å; V149-K151 PolarHBondContact O-N 3.28Å; V149-K151 VanDerWaalsContact O-N 3.12Å
152	L	87.4	Confident	83.4	Confident	36 Å²	36	84.6 Å²	84.6	19%	0.188	42%	0.424	C	S	.	.			trans	-68.2	136.9	177.8	-65.9	176.4	0	0	0	109.7	L100 T129 V149 Y157	L100-L152 HydrophobicContact CD2-CD1 3.99Å; T129-L152 HydrophobicContact CG2-CD1 3.67Å; V149-L152 HydrophobicContact CG1-CD1 4.38Å; V149-L152 VanDerWaalsContact O-CB 3.3Å; V149-L152 WeakPolarHBondContact O-CB 3.46Å; V149-L152 WeakPolarHBondContact O-CG 3.2Å; V149-L152 PolarHBondContact O-N 3.39Å; L152-Y157 HydrophobicContact CB-CD1 3.98Å; L152-Y157 HydrophobicContact CB-CE1 4.39Å
153	K	86.8	Confident	85.2	Confident	145 Å²	145	80.3 Å²	80.3	63%	0.63	40%	0.4	S	S	*	.			trans	-79.6	147.3	169.8	-54.8	-176.8	176.8	-178.6	0	109.3	E155 S156 Y157	K153-E155 WeakPolarHBondContact CB-OE2 3.38Å; K153-E155 PolarHBondContact O-N 3.39Å; K153-E155 VanDerWaalsContact O-N 3.11Å; K153-S156 WeakPolarHBondContact O-CA 3.36Å; K153-S156 WeakPolarHBondContact O-CB 3.39Å; K153-S156 PolarHBondContact O-N 3.28Å; K153-S156 PolarHBondContact O-OG 3.28Å; K153-Y157 WeakPolarHBondContact O-CD1 3.1Å
154	P	86.9	Confident	87	Confident	66 Å²	66	76.2 Å²	76.2	43%	0.429	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-45.5	-43.1	178.4	-32	37.8	0	0	0	114.6	S156 Y157 E158	P154-S156 PolarHBondContact O-N 3.36Å; P154-S156 VanDerWaalsContact O-N 3.07Å; P154-Y157 HydrophobicContact CB-CE1 4.46Å; P154-Y157 PolarHBondContact O-N 3.45Å; P154-Y157 VanDerWaalsContact O-N 3.08Å; P154-E158 WeakPolarHBondContact O-CB 3.34Å; P154-E158 PolarHBondContact O-N 2.78Å
155	E	87.9	Confident	88.7	Confident	143 Å²	143	71.6 Å²	71.6	67%	0.668	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-66.2	-17.5	-177.7	-47.1	80.9	-175.6	0	0	112.8	K153	K153-E155 WeakPolarHBondContact CB-OE2 3.38Å; K153-E155 PolarHBondContact O-N 3.39Å; K153-E155 VanDerWaalsContact O-N 3.11Å
156	S	86	Confident	89.9	Confident	57 Å²	57	68 Å²	68	40%	0.399	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-79.5	-19.4	178.6	-53.2	0	0	0	0	112.8	P101 K153 P154	P101-S156 WeakPolarHBondContact CG-O 3.47Å; K153-S156 WeakPolarHBondContact O-CA 3.36Å; K153-S156 WeakPolarHBondContact O-CB 3.39Å; K153-S156 PolarHBondContact O-N 3.28Å; K153-S156 PolarHBondContact O-OG 3.28Å; P154-S156 PolarHBondContact O-N 3.36Å; P154-S156 VanDerWaalsContact O-N 3.07Å
157	Y	87	Confident	90.7	Very high	14 Å²	14	68.3 Å²	68.3	6%	0.055	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.4	-12.8	-175.3	65.7	-97.5	0	0	0	115.6	M135 I139 L152 K153 P154 N159 V160	M135-Y157 HydrophobicContact CB-CD2 4.48Å; M135-Y157 HydrophobicContact CB-CE2 3.77Å; M135-Y157 HydrophobicContact CE-CD1 3.67Å; M135-Y157 HydrophobicContact CE-CD2 4.16Å; M135-Y157 HydrophobicContact CE-CE1 3.42Å; M135-Y157 VanDerWaalsContact CE-CE1 3.42Å; M135-Y157 HydrophobicContact CE-CE2 3.99Å; M135-Y157 HydrophobicContact CE-CG 4.03Å; M135-Y157 HydrophobicContact CG-CD2 4.2Å; M135-Y157 HydrophobicContact CG-CE2 3.97Å; I139-Y157 VanDerWaalsContact CD1-OH 3.24Å; I139-Y157 WeakPolarHBondContact CD1-OH 3.28Å; L152-Y157 HydrophobicContact CB-CD1 3.98Å; L152-Y157 HydrophobicContact CB-CE1 4.39Å; K153-Y157 WeakPolarHBondContact O-CD1 3.1Å; P154-Y157 HydrophobicContact CB-CE1 4.46Å; P154-Y157 PolarHBondContact O-N 3.45Å; P154-Y157 VanDerWaalsContact O-N 3.08Å; Y157-N159 PolarHBondContact O-N 2.8Å; Y157-V160 WeakPolarHBondContact O-CB 3.23Å; Y157-V160 WeakPolarHBondContact O-CG1 3.42Å; Y157-V160 PolarHBondContact O-N 2.63Å
158	E	88	Confident	91.4	Very high	126 Å²	126	68 Å²	68	59%	0.589	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-34.3	-179.9	-172.3	177.4	-163	0	0	113.2	P154	P154-E158 WeakPolarHBondContact O-CB 3.34Å; P154-E158 PolarHBondContact O-N 2.78Å
159	N	87.8	Confident	92	Very high	114 Å²	114	66.6 Å²	66.6	61%	0.61	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119	28.9	178.3	-69.4	-54.8	0	0	0	113.1	Y157 Q161 S162	Y157-N159 PolarHBondContact O-N 2.8Å; N159-Q161 PolarHBondContact O-N 2.71Å; N159-Q161 VanDerWaalsContact O-N 3.14Å; N159-S162 VanDerWaalsContact O-CB 3.3Å; N159-S162 WeakPolarHBondContact O-CB 3.25Å; N159-S162 PolarHBondContact O-N 2.86Å; N159-S162 PolarHBondContact O-OG 3.44Å
160	V	95.4	Very high	92.6	Very high	4 Å²	4	66.8 Å²	66.8	2%	0.024	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-56.1	-34.6	-174.6	69.1	0	0	0	0	113.1	P101 V104 F130 Y157 S162 L163	P101-V160 HydrophobicContact CG-CG2 4.46Å; V104-V160 HydrophobicContact CB-CG2 4.4Å; V104-V160 HydrophobicContact CG1-CG2 4.49Å; V104-V160 HydrophobicContact CG2-CG2 3.83Å; F130-V160 HydrophobicContact CD1-CG1 4.43Å; F130-V160 HydrophobicContact CD2-CG1 3.51Å; F130-V160 HydrophobicContact CD2-CG2 4.41Å; F130-V160 HydrophobicContact CE1-CG1 4.49Å; F130-V160 HydrophobicContact CE2-CB 4.28Å; F130-V160 HydrophobicContact CE2-CG1 3.56Å; F130-V160 HydrophobicContact CE2-CG2 3.76Å; F130-V160 HydrophobicContact CG-CG1 3.94Å; F130-V160 HydrophobicContact CZ-CG1 4.06Å; F130-V160 HydrophobicContact CZ-CG2 4.29Å; Y157-V160 WeakPolarHBondContact O-CB 3.23Å; Y157-V160 WeakPolarHBondContact O-CG1 3.42Å; Y157-V160 PolarHBondContact O-N 2.63Å; V160-S162 PolarHBondContact O-N 2.94Å; V160-L163 HydrophobicContact CG2-CD1 4.06Å; V160-L163 VanDerWaalsContact O-CB 3.27Å; V160-L163 WeakPolarHBondContact O-CB 3.22Å; V160-L163 WeakPolarHBondContact O-CG 3.45Å; V160-L163 PolarHBondContact O-N 3.18Å; V160-L163 VanDerWaalsContact O-N 3.1Å
161	Q	96.3	Very high	93.4	Very high	70 Å²	70	67.6 Å²	67.6	33%	0.327	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-58.3	-32.4	175.9	-68.6	173.9	27.4	0	0	112.5	F130 N159 L163 L164 Y169	F130-Q161 HydrophobicContact CD1-CG 3.33Å; F130-Q161 HydrophobicContact CE1-CB 4.22Å; F130-Q161 HydrophobicContact CE1-CG 3.44Å; F130-Q161 VanDerWaalsContact CE1-CG 3.44Å; F130-Q161 HydrophobicContact CG-CG 4.21Å; F130-Q161 HydrophobicContact CZ-CG 4.38Å; N159-Q161 PolarHBondContact O-N 2.71Å; N159-Q161 VanDerWaalsContact O-N 3.14Å; Q161-L163 PolarHBondContact O-N 3.36Å; Q161-L163 VanDerWaalsContact O-N 3.13Å; Q161-L164 WeakPolarHBondContact O-CB 3.3Å; Q161-L164 PolarHBondContact O-N 2.79Å; Q161-L164 VanDerWaalsContact O-N 3.07Å; Q161-Y169 HydrophobicContact CB-CD1 4.37Å; Q161-Y169 HydrophobicContact CG-CD1 4.08Å; Q161-Y169 HydrophobicContact CG-CE1 3.75Å; Q161-Y169 VanDerWaalsContact OE1-CE1 3.24Å
162	S	97	Very high	94	Very high	80 Å²	80	61.5 Å²	61.5	56%	0.559	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-66	-14.5	179.8	72.4	0	0	0	0	113.8	N159 V160 L164	N159-S162 VanDerWaalsContact O-CB 3.3Å; N159-S162 WeakPolarHBondContact O-CB 3.25Å; N159-S162 PolarHBondContact O-N 2.86Å; N159-S162 PolarHBondContact O-OG 3.44Å; V160-S162 PolarHBondContact O-N 2.94Å; S162-L164 PolarHBondContact O-N 2.86Å
163	L	98.1	Very high	94.5	Very high	43 Å²	43	61.9 Å²	61.9	23%	0.225	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-71.8	-17.6	174.6	-59.7	175.1	0	0	0	112.4	P101 V104 K105 N108 V160 Q161 T165	P101-L163 HydrophobicContact CB-CD1 3.92Å; V104-L163 HydrophobicContact CB-CD1 4.33Å; V104-L163 HydrophobicContact CG1-CB 3.79Å; V104-L163 HydrophobicContact CG1-CD1 4.33Å; K105-L163 HydrophobicContact CG-CD1 4.24Å; K105-L163 HydrophobicContact CG-CD2 4.33Å; N108-L163 WeakPolarHBondContact CB-O 3.39Å; N108-L163 PolarHBondContact ND2-O 2.97Å; N108-L163 VanDerWaalsContact ND2-O 3.08Å; V160-L163 HydrophobicContact CG2-CD1 4.06Å; V160-L163 VanDerWaalsContact O-CB 3.27Å; V160-L163 WeakPolarHBondContact O-CB 3.22Å; V160-L163 WeakPolarHBondContact O-CG 3.45Å; V160-L163 PolarHBondContact O-N 3.18Å; V160-L163 VanDerWaalsContact O-N 3.1Å; Q161-L163 PolarHBondContact O-N 3.36Å; Q161-L163 VanDerWaalsContact O-N 3.13Å; L163-T165 VanDerWaalsContact C-N 3.28Å; L163-T165 PolarHBondContact O-N 3.27Å; L163-T165 VanDerWaalsContact O-N 3.1Å
164	L	98.6	Very high	95.1	Very high	9 Å²	9	58.8 Å²	58.8	5%	0.047	32%	0.318	C	S	.	.			trans	-84.3	60.3	180	-67.2	177.5	0	0	0	112.2	F95 V104 F107 N108 F130 Q161 S162 N166 Y169	F95-L164 HydrophobicContact CE2-CD1 4.49Å; F95-L164 HydrophobicContact CE2-CD2 4.35Å; F95-L164 HydrophobicContact CZ-CD1 4.02Å; V104-L164 HydrophobicContact CG1-CD2 3.73Å; V104-L164 HydrophobicContact CG1-CG 3.87Å; F107-L164 HydrophobicContact CD1-CD2 3.77Å; F107-L164 HydrophobicContact CE1-CD2 4.16Å; N108-L164 HydrophobicContact CB-CD2 4.32Å; N108-L164 VanDerWaalsContact OD1-C 3.26Å; N108-L164 WeakPolarHBondContact OD1-CA 3.36Å; F130-L164 HydrophobicContact CE1-CD1 3.91Å; F130-L164 HydrophobicContact CZ-CD1 4.09Å; Q161-L164 WeakPolarHBondContact O-CB 3.3Å; Q161-L164 PolarHBondContact O-N 2.79Å; Q161-L164 VanDerWaalsContact O-N 3.07Å; S162-L164 PolarHBondContact O-N 2.86Å; L164-N166 VanDerWaalsContact C-N 3.31Å; L164-N166 PolarHBondContact O-N 2.76Å; L164-Y169 HydrophobicContact CD1-CD2 3.71Å; L164-Y169 HydrophobicContact CD1-CE2 4.43Å; L164-Y169 HydrophobicContact CD1-CG 4.15Å
165	T	98.7	Very high	95.6	Very high	104 Å²	104	57.1 Å²	57.1	64%	0.638	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-16.7	-176.1	63.7	0	0	0	0	114.9	N108 L163	N108-T165 PolarHBondContact ND2-OG1 2.85Å; N108-T165 PolarHBondContact OD1-N 3.36Å; L163-T165 VanDerWaalsContact C-N 3.28Å; L163-T165 PolarHBondContact O-N 3.27Å; L163-T165 VanDerWaalsContact O-N 3.1Å
166	N	98.8	Very high	96.2	Very high	66 Å²	66	54.4 Å²	54.4	35%	0.353	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	13.6	-176.3	-67.2	-48.3	0	0	0	113.2	N108 L111 L164	N108-N166 PolarHBondContact ND2-ND2 3.12Å; N108-N166 PolarHBondContact O-ND2 3.38Å; N108-N166 WeakPolarHBondContact OD1-CB 3.38Å; N108-N166 PolarHBondContact OD1-N 2.77Å; L111-N166 HydrophobicContact CB-CB 4.03Å; L164-N166 VanDerWaalsContact C-N 3.31Å; L164-N166 PolarHBondContact O-N 2.76Å
167	C	98.8	Very high	96.7	Very high	22 Å²	22	51.9 Å²	51.9	15%	0.149	28%	0.282	C	S	.	.	S	Bend	trans	-146.2	169.5	174.4	66.6	0	0	0	0	112.6	L111 K119 V121	L111-C167 HydrophobicContact CD1-CB 3.94Å; K119-C167 HydrophobicContact CB-CB 3.77Å; K119-C167 CarbonylContact O-C 3.59Å; K119-C167 VanDerWaalsContact O-CA 3.31Å; K119-C167 WeakPolarHBondContact O-CA 3.22Å; K119-C167 WeakPolarHBondContact O-CB 3.4Å; V121-C167 HydrophobicContact CG2-CB 3.72Å
168	I	98.9	Very high	97.1	Very high	53 Å²	53	55.6 Å²	55.6	27%	0.272	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	106.6	164.8	-59.2	160.1	0	0	0	106.6	Y118 K119 I120 V121 L170 V175 V177	Y118-I168 HydrophobicContact CD1-CD1 3.96Å; K119-I168 PolarHBondContact O-N 3.42Å; I120-I168 WeakPolarHBondContact CA-O 3.49Å; V121-I168 PolarHBondContact N-O 2.82Å; I168-L170 HydrophobicContact CG2-CD2 3.99Å; I168-V175 HydrophobicContact CD1-CG2 4.2Å; I168-V175 HydrophobicContact CG2-CB 4.12Å; I168-V175 HydrophobicContact CG2-CG1 4.09Å; I168-V175 HydrophobicContact CG2-CG2 4.16Å; I168-V177 HydrophobicContact CD1-CG1 3.95Å
169	Y	98.9	Very high	97.6	Very high	37 Å²	37	50.8 Å²	50.8	15%	0.145	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	131.8	174.3	178.8	-102.8	0	0	0	110.4	V121 A123 F130 Q161 L164 Q171	V121-Y169 HydrophobicContact CG1-CD2 4.38Å; V121-Y169 CarbonylContact O-C 3.6Å; V121-Y169 WeakPolarHBondContact O-CA 3.07Å; V121-Y169 WeakPolarHBondContact O-CD2 3.38Å; A123-Y169 HydrophobicContact CB-CE2 4.17Å; A123-Y169 WeakPolarHBondContact CB-OH 3.48Å; F130-Y169 HydrophobicContact CD1-CE1 4.36Å; F130-Y169 AromaticContact CD1-CE2 3.93Å; F130-Y169 HydrophobicContact CD1-CE2 3.93Å; F130-Y169 AromaticContact CD1-CZ 3.67Å; F130-Y169 WeakPolarHBondContact CD1-OH 3.23Å; F130-Y169 HydrophobicContact CE1-CD2 4.39Å; F130-Y169 AromaticContact CE1-CE2 3.87Å; F130-Y169 HydrophobicContact CE1-CE2 3.87Å; Q161-Y169 HydrophobicContact CB-CD1 4.37Å; Q161-Y169 HydrophobicContact CG-CD1 4.08Å; Q161-Y169 HydrophobicContact CG-CE1 3.75Å; Q161-Y169 VanDerWaalsContact OE1-CE1 3.24Å; L164-Y169 HydrophobicContact CD1-CD2 3.71Å; L164-Y169 HydrophobicContact CD1-CE2 4.43Å; L164-Y169 HydrophobicContact CD1-CG 4.15Å; Y169-Q171 HydrophobicContact CE1-CB 3.62Å; Y169-Q171 PolarHBondContact OH-OE1 3.05Å
170	L	98.9	Very high	98.1	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.021	25%	0.252	C	S	.	.			trans	-118	136.8	176.4	-57.3	-179.8	0	0	0	110.4	I120 V121 I122 I168 S173 V175 I182	I120-L170 HydrophobicContact CG2-CD1 3.59Å; I120-L170 HydrophobicContact CG2-CG 4.02Å; V121-L170 PolarHBondContact O-N 3.04Å; I122-L170 HydrophobicContact CG2-CB 4.09Å; I122-L170 WeakPolarHBondContact CG2-O 3.27Å; I168-L170 HydrophobicContact CG2-CD2 3.99Å; L170-S173 WeakPolarHBondContact CA-OG 3.33Å; L170-V175 HydrophobicContact CD1-CG1 4.15Å; L170-V175 HydrophobicContact CD2-CB 4.16Å; L170-V175 HydrophobicContact CD2-CG1 4.17Å; L170-I182 HydrophobicContact CD1-CG2 4.37Å
171	Q	98.7	Very high	98.2	Very high	59 Å²	59	48.6 Å²	48.6	28%	0.276	26%	0.263	S	S	.	.	S	Bend	trans	-149.9	104.3	172.2	176.7	174.8	-39.2	0	0	108.2	Y169 S173 P186	Y169-Q171 HydrophobicContact CE1-CB 3.62Å; Y169-Q171 PolarHBondContact OH-OE1 3.05Å; Q171-S173 PolarHBondContact N-OG 2.94Å; Q171-S173 VanDerWaalsContact N-OG 3.17Å; Q171-S173 PolarHBondContact O-N 3.45Å; Q171-P186 HydrophobicContact CG-CG 4.1Å
172	D	98.7	Very high	98.4	Very high	39 Å²	39	45.2 Å²	45.2	21%	0.209	25%	0.248	C	C	.	.	S	Bend	trans	53.9	33.6	-172	-56.9	-31.8	0	0	0	112.4	Y183 G184 S185 W187 K207 L210	D172-Y183 VanDerWaalsContact C-CZ 3.44Å; D172-Y183 WeakPolarHBondContact CA-OH 3.33Å; D172-Y183 PolarHBondContact O-OH 2.93Å; D172-Y183 VanDerWaalsContact O-OH 3.09Å; D172-G184 WeakPolarHBondContact CA-O 3.45Å; D172-G184 PolarHBondContact N-O 2.55Å; D172-S185 VanDerWaalsContact OD1-CB 3.31Å; D172-S185 WeakPolarHBondContact OD1-CB 3.49Å; D172-S185 PolarHBondContact OD1-OG 3.23Å; D172-W187 VanDerWaalsContact OD1-CD1 3.27Å; D172-W187 PolarHBondContact OD1-NE1 2.92Å; D172-W187 PolarHBondContact OD2-NE1 3.14Å; D172-K207 IonicContact OD2-NZ 3.84Å; D172-L210 HydrophobicContact CB-CD1 4.23Å
173	S	98.8	Very high	98.4	Very high	45 Å²	45	41.7 Å²	41.7	32%	0.315	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	164.4	-173.2	64.2	0	0	0	0	112.1	L170 Q171 Y183 G184	L170-S173 WeakPolarHBondContact CA-OG 3.33Å; Q171-S173 PolarHBondContact N-OG 2.94Å; Q171-S173 VanDerWaalsContact N-OG 3.17Å; Q171-S173 PolarHBondContact O-N 3.45Å; S173-Y183 WeakPolarHBondContact O-CA 3.21Å; S173-Y183 WeakPolarHBondContact O-CD2 3.34Å; S173-G184 PolarHBondContact N-O 2.96Å; S173-G184 PolarHBondContact O-N 3.21Å
174	E	98.7	Very high	98.5	Very high	80 Å²	80	39.6 Å²	39.6	37%	0.374	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	159.5	176.3	65.5	175.4	157.8	0	0	113.6	R181 I182 Y183 I215	E174-R181 VanDerWaalsContact CD-NH2 3.27Å; E174-R181 IonicContact OE1-CZ 3.91Å; E174-R181 IonicContact OE1-NH2 2.79Å; E174-R181 PolarHBondContact OE1-NH2 2.82Å; E174-R181 IonicContact OE2-CZ 3.89Å; E174-R181 VanDerWaalsContact OE2-CZ 3.23Å; E174-R181 IonicContact OE2-NE 3.98Å; E174-R181 PolarHBondContact OE2-NE 3Å; E174-R181 IonicContact OE2-NH2 2.91Å; E174-R181 PolarHBondContact OE2-NH2 2.99Å; E174-I182 CarbonylContact C-O 3.59Å; E174-I182 WeakPolarHBondContact CA-O 3.3Å; E174-I182 VanDerWaalsContact CB-O 3.32Å; E174-I182 WeakPolarHBondContact CB-O 3.44Å; E174-Y183 HydrophobicContact CB-CD2 4.02Å; E174-I215 HydrophobicContact CB-CD1 4.42Å; E174-I215 VanDerWaalsContact OE2-CD1 3.26Å; E174-I215 WeakPolarHBondContact OE2-CD1 3.33Å
175	V	98.8	Very high	98.5	Very high	31 Å²	31	39.2 Å²	39.2	19%	0.188	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	152.3	166.1	68.5	0	0	0	0	109.9	I120 I168 L170 V177 I182	I120-V175 HydrophobicContact CD1-CG1 4.23Å; I168-V175 HydrophobicContact CD1-CG2 4.2Å; I168-V175 HydrophobicContact CG2-CB 4.12Å; I168-V175 HydrophobicContact CG2-CG1 4.09Å; I168-V175 HydrophobicContact CG2-CG2 4.16Å; L170-V175 HydrophobicContact CD1-CG1 4.15Å; L170-V175 HydrophobicContact CD2-CB 4.16Å; L170-V175 HydrophobicContact CD2-CG1 4.17Å; V175-V177 HydrophobicContact CG1-CG1 4.31Å; V175-V177 HydrophobicContact CG2-CG1 4.14Å; V175-I182 HydrophobicContact CG1-CB 4.34Å; V175-I182 PolarHBondContact N-O 2.86Å; V175-I182 PolarHBondContact O-N 2.9Å
176	T	98.6	Very high	98.5	Very high	86 Å²	86	34.2 Å²	34.2	53%	0.528	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119.2	168.2	-57.5	0	0	0	0	109.9	F180	T176-F180 VanDerWaalsContact CA-O 3.24Å; T176-F180 WeakPolarHBondContact CA-O 3.47Å
177	V	97.4	Very high	98.5	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.024	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133.3	174.6	-63.4	0	0	0	0	110.1	Y118 I120 I168 V175 G179 F180 I182	Y118-V177 HydrophobicContact CD1-CB 4.38Å; Y118-V177 HydrophobicContact CD1-CG1 3.78Å; Y118-V177 HydrophobicContact CD2-CB 4.2Å; Y118-V177 HydrophobicContact CD2-CG1 4.47Å; Y118-V177 HydrophobicContact CE1-CG1 4.05Å; Y118-V177 HydrophobicContact CE2-CB 4.38Å; Y118-V177 HydrophobicContact CG-CB 4.19Å; Y118-V177 HydrophobicContact CG-CG1 4Å; I120-V177 HydrophobicContact CD1-CG2 3.91Å; I168-V177 HydrophobicContact CD1-CG1 3.95Å; V175-V177 HydrophobicContact CG1-CG1 4.31Å; V175-V177 HydrophobicContact CG2-CG1 4.14Å; V177-G179 PolarHBondContact O-N 3.13Å; V177-F180 PolarHBondContact N-O 2.72Å; V177-F180 PolarHBondContact O-N 3.43Å; V177-I182 HydrophobicContact CG2-CD1 3.53Å; V177-I182 HydrophobicContact CG2-CG1 4.42Å
178	R	96.2	Very high	98.4	Very high	91 Å²	91	31 Å²	31	34%	0.343	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	34.7	-178.2	-54.4	-172.2	66	127.5	-4.3	113.3	D87 E117 Y118 F180	D87-R178 IonicContact OD1-NH1 3.58Å; E117-R178 IonicContact OE2-CZ 2.75Å; E117-R178 IonicContact OE2-NH1 3.95Å; E117-R178 PolarHBondContact OE2-NH1 2.63Å; Y118-R178 HydrophobicContact CD2-CG 4.26Å; Y118-R178 HydrophobicContact CE2-CG 3.88Å; R178-F180 VanDerWaalsContact C-N 3.31Å; R178-F180 HydrophobicContact CB-CD2 4.36Å; R178-F180 WeakPolarHBondContact O-CD2 3.11Å; R178-F180 PolarHBondContact O-N 2.87Å
179	G	96.9	Very high	98.4	Very high	26 Å²	26	29 Å²	29	27%	0.268	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-7.9	-178.3	0	0	0	0	0	116	V177	V177-G179 PolarHBondContact O-N 3.13Å
180	F	98.5	Very high	98.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	130.5	176.8	-65.3	-91.1	0	0	0	110.8	T66 F68 T176 V177 R178 I182 D216 I217 L296 P297 T298 P299	T66-F180 HydrophobicContact CG2-CE2 4.17Å; T66-F180 WeakPolarHBondContact OG1-CE2 3.45Å; F68-F180 HydrophobicContact CE2-CD2 4.43Å; F68-F180 HydrophobicContact CE2-CE1 4.22Å; F68-F180 HydrophobicContact CE2-CE2 4.05Å; F68-F180 AromaticContact CE2-CZ 3.9Å; F68-F180 HydrophobicContact CE2-CZ 3.9Å; F68-F180 HydrophobicContact CZ-CD1 4.28Å; F68-F180 AromaticContact CZ-CD2 3.8Å; F68-F180 HydrophobicContact CZ-CD2 3.8Å; F68-F180 HydrophobicContact CZ-CE1 4.31Å; F68-F180 AromaticContact CZ-CE2 3.86Å; F68-F180 HydrophobicContact CZ-CE2 3.86Å; F68-F180 HydrophobicContact CZ-CG 4Å; F68-F180 HydrophobicContact CZ-CZ 4.09Å; T176-F180 VanDerWaalsContact CA-O 3.24Å; T176-F180 WeakPolarHBondContact CA-O 3.47Å; V177-F180 PolarHBondContact N-O 2.72Å; V177-F180 PolarHBondContact O-N 3.43Å; R178-F180 VanDerWaalsContact C-N 3.31Å; R178-F180 HydrophobicContact CB-CD2 4.36Å; R178-F180 WeakPolarHBondContact O-CD2 3.11Å; R178-F180 PolarHBondContact O-N 2.87Å; F180-I182 HydrophobicContact CB-CD1 4.27Å; F180-I182 HydrophobicContact CB-CG1 4.1Å; F180-D216 WeakPolarHBondContact CA-OD2 3.47Å; F180-D216 HydrophobicContact CB-CB 4.42Å; F180-D216 HydrophobicContact CD1-CB 3.99Å; F180-I217 HydrophobicContact CB-CD1 4.38Å; F180-I217 HydrophobicContact CD1-CD1 4.14Å; F180-I217 HydrophobicContact CD1-CG1 4.45Å; F180-I217 HydrophobicContact CG-CD1 4.37Å; F180-L296 HydrophobicContact CD1-CD1 4.49Å; F180-L296 HydrophobicContact CE1-CB 3.74Å; F180-L296 HydrophobicContact CE1-CD1 3.92Å; F180-L296 HydrophobicContact CZ-CB 3.79Å; F180-P297 WeakPolarHBondContact CZ-O 3.31Å; F180-T298 HydrophobicContact CE2-CG2 4.43Å; F180-P299 HydrophobicContact CD1-CG 3.99Å; F180-P299 HydrophobicContact CD2-CG 4.23Å; F180-P299 HydrophobicContact CE1-CG 4.06Å; F180-P299 HydrophobicContact CE2-CG 4.27Å; F180-P299 HydrophobicContact CG-CG 4.1Å; F180-P299 HydrophobicContact CZ-CG 4.23Å
181	R	98.7	Very high	97.6	Very high	71 Å²	71	37.9 Å²	37.9	27%	0.268	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	121.7	167.7	-68.9	-176.6	65.7	-154.5	8.3	110.1	E174 D213 G214 I215 D216 I217	E174-R181 VanDerWaalsContact CD-NH2 3.27Å; E174-R181 IonicContact OE1-CZ 3.91Å; E174-R181 IonicContact OE1-NH2 2.79Å; E174-R181 PolarHBondContact OE1-NH2 2.82Å; E174-R181 IonicContact OE2-CZ 3.89Å; E174-R181 VanDerWaalsContact OE2-CZ 3.23Å; E174-R181 IonicContact OE2-NE 3.98Å; E174-R181 PolarHBondContact OE2-NE 3Å; E174-R181 IonicContact OE2-NH2 2.91Å; E174-R181 PolarHBondContact OE2-NH2 2.99Å; R181-D213 PolarHBondContact NH1-O 2.75Å; R181-G214 PolarHBondContact NH1-O 2.93Å; R181-I215 HydrophobicContact CB-CD1 4.07Å; R181-D216 PolarHBondContact N-OD2 3.08Å; R181-D216 PolarHBondContact O-N 2.85Å; R181-I217 PolarHBondContact O-N 2.57Å; R181-I217 VanDerWaalsContact O-N 3.13Å
182	I	98.9	Very high	97	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	121.4	-172.4	-50.5	-170.9	0	0	0	108.7	F68 I120 L170 E174 V175 V177 F180 I217 I219	F68-I182 HydrophobicContact CE1-CD1 4.22Å; I120-I182 HydrophobicContact CD1-CB 4.34Å; I120-I182 HydrophobicContact CD1-CD1 3.38Å; I120-I182 HydrophobicContact CD1-CG1 4.38Å; I120-I182 HydrophobicContact CD1-CG2 4.09Å; I120-I182 HydrophobicContact CG2-CG2 4.48Å; L170-I182 HydrophobicContact CD1-CG2 4.37Å; E174-I182 CarbonylContact C-O 3.59Å; E174-I182 WeakPolarHBondContact CA-O 3.3Å; E174-I182 VanDerWaalsContact CB-O 3.32Å; E174-I182 WeakPolarHBondContact CB-O 3.44Å; V175-I182 HydrophobicContact CG1-CB 4.34Å; V175-I182 PolarHBondContact N-O 2.86Å; V175-I182 PolarHBondContact O-N 2.9Å; V177-I182 HydrophobicContact CG2-CD1 3.53Å; V177-I182 HydrophobicContact CG2-CG1 4.42Å; F180-I182 HydrophobicContact CB-CD1 4.27Å; F180-I182 HydrophobicContact CB-CG1 4.1Å; I182-I217 VanDerWaalsContact CA-O 3.3Å; I182-I217 WeakPolarHBondContact CA-O 3.15Å; I182-I217 HydrophobicContact CB-CB 4.42Å; I182-I217 HydrophobicContact CD1-CB 4.44Å; I182-I217 HydrophobicContact CD1-CD1 3.89Å; I182-I217 HydrophobicContact CG1-CB 4.02Å; I182-I217 HydrophobicContact CG1-CD1 4.19Å; I182-I217 HydrophobicContact CG1-CG1 4.36Å; I182-I217 HydrophobicContact CG2-CB 4.12Å; I182-I217 HydrophobicContact CG2-CG2 4.21Å; I182-I219 HydrophobicContact CG2-CD1 3.57Å; I182-I219 HydrophobicContact CG2-CG1 4.09Å
183	Y	98.9	Very high	96.5	Very high	5 Å²	5	40.4 Å²	40.4	2%	0.02	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	136.8	177.7	-172.5	-86.3	0	0	0	110.4	D172 S173 E174 L210 I211 P212 I217 L218 I219	D172-Y183 VanDerWaalsContact C-CZ 3.44Å; D172-Y183 WeakPolarHBondContact CA-OH 3.33Å; D172-Y183 PolarHBondContact O-OH 2.93Å; D172-Y183 VanDerWaalsContact O-OH 3.09Å; S173-Y183 WeakPolarHBondContact O-CA 3.21Å; S173-Y183 WeakPolarHBondContact O-CD2 3.34Å; E174-Y183 HydrophobicContact CB-CD2 4.02Å; Y183-L210 WeakPolarHBondContact OH-CB 3.18Å; Y183-I211 HydrophobicContact CD1-CB 4.39Å; Y183-I211 HydrophobicContact CD1-CG1 3.86Å; Y183-I211 HydrophobicContact CD1-CG2 4.16Å; Y183-I211 HydrophobicContact CE1-CB 4.35Å; Y183-I211 HydrophobicContact CE1-CG1 3.63Å; Y183-I211 HydrophobicContact CG-CG2 4.24Å; Y183-P212 VanDerWaalsContact CD2-CD 3.4Å; Y183-P212 HydrophobicContact CD2-CG 4.24Å; Y183-P212 HydrophobicContact CE2-CG 4.46Å; Y183-I217 PolarHBondContact N-O 3.23Å; Y183-L218 HydrophobicContact CD1-CD1 3.9Å; Y183-I219 PolarHBondContact O-N 2.93Å
184	G	98.9	Very high	96.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.3	-177.6	0	0	0	0	0	113.1	D172 S173 I219	D172-G184 WeakPolarHBondContact CA-O 3.45Å; D172-G184 PolarHBondContact N-O 2.55Å; S173-G184 PolarHBondContact N-O 2.96Å; S173-G184 PolarHBondContact O-N 3.21Å; G184-I219 CarbonylContact C-O 3.56Å; G184-I219 WeakPolarHBondContact CA-O 3.42Å
185	S	98.9	Very high	96.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	133.3	178	-178.6	0	0	0	0	112.5	I122 D172 W187 I219 T220 H221	I122-S185 WeakPolarHBondContact CD1-O 3.37Å; D172-S185 VanDerWaalsContact OD1-CB 3.31Å; D172-S185 WeakPolarHBondContact OD1-CB 3.49Å; D172-S185 PolarHBondContact OD1-OG 3.23Å; S185-W187 VanDerWaalsContact OG-CD1 3.24Å; S185-I219 PolarHBondContact N-O 3.04Å; S185-T220 VanDerWaalsContact O-CA 3.27Å; S185-T220 WeakPolarHBondContact O-CA 3.2Å; S185-H221 PolarHBondContact O-N 2.97Å
186	P	98.8	Very high	96.1	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.164	C	C	.	.			trans	-86.2	-12.5	-173.7	35.5	-38.1	0	0	0	114.3	A123 Q171 F196	A123-P186 HydrophobicContact CB-CB 4.01Å; A123-P186 WeakPolarHBondContact O-CA 3.34Å; A123-P186 VanDerWaalsContact O-CB 3.23Å; A123-P186 WeakPolarHBondContact O-CB 3.22Å; Q171-P186 HydrophobicContact CG-CG 4.1Å; P186-F196 HydrophobicContact CB-CB 4.16Å; P186-F196 HydrophobicContact CB-CD1 3.81Å; P186-F196 HydrophobicContact CB-CD2 4.06Å; P186-F196 HydrophobicContact CB-CE1 4.15Å; P186-F196 HydrophobicContact CB-CE2 4.37Å; P186-F196 HydrophobicContact CB-CG 3.74Å; P186-F196 HydrophobicContact CB-CZ 4.4Å; P186-F196 HydrophobicContact CG-CB 4.4Å; P186-F196 HydrophobicContact CG-CD1 3.31Å; P186-F196 HydrophobicContact CG-CD2 4.42Å; P186-F196 HydrophobicContact CG-CE1 3.49Å; P186-F196 VanDerWaalsContact CG-CE1 3.49Å; P186-F196 HydrophobicContact CG-CG 3.8Å; P186-F196 HydrophobicContact CG-CZ 4.12Å
187	W	98.7	Very high	96	Very high	17 Å²	17	32 Å²	32	6%	0.064	15%	0.145	C	C	.	.			trans	-64.2	148	-168	-59	105.2	0	0	0	113.2	D172 S185 F196 L198 L204 K207 W208	D172-W187 VanDerWaalsContact OD1-CD1 3.27Å; D172-W187 PolarHBondContact OD1-NE1 2.92Å; D172-W187 PolarHBondContact OD2-NE1 3.14Å; S185-W187 VanDerWaalsContact OG-CD1 3.24Å; W187-F196 WeakPolarHBondContact CA-O 3.36Å; W187-F196 HydrophobicContact CD2-CD1 4.37Å; W187-F196 HydrophobicContact CE3-CB 4.15Å; W187-F196 HydrophobicContact CE3-CD1 4.22Å; W187-F196 HydrophobicContact CH2-CD1 4.21Å; W187-F196 HydrophobicContact CZ2-CD1 4.31Å; W187-F196 HydrophobicContact CZ3-CD1 4.16Å; W187-L198 HydrophobicContact CB-CD1 4.41Å; W187-L198 HydrophobicContact CD2-CD1 3.74Å; W187-L198 HydrophobicContact CD2-CG 4.33Å; W187-L198 HydrophobicContact CE3-CD1 3.45Å; W187-L198 VanDerWaalsContact CE3-CD1 3.45Å; W187-L198 HydrophobicContact CE3-CD2 4.36Å; W187-L198 HydrophobicContact CE3-CG 3.54Å; W187-L198 HydrophobicContact CG-CD1 4.14Å; W187-L198 HydrophobicContact CZ3-CD1 3.96Å; W187-L198 HydrophobicContact CZ3-CD2 4.16Å; W187-L198 HydrophobicContact CZ3-CG 3.84Å; W187-L204 HydrophobicContact CB-CD2 4.06Å; W187-K207 HydrophobicContact CB-CG 4.36Å; W187-K207 VanDerWaalsContact CD1-CG 3.48Å; W187-K207 HydrophobicContact CD2-CD 4.35Å; W187-K207 HydrophobicContact CD2-CG 4.21Å; W187-K207 HydrophobicContact CG-CB 4.28Å; W187-K207 HydrophobicContact CG-CD 4.23Å; W187-K207 HydrophobicContact CG-CG 3.78Å; W187-K207 VanDerWaalsContact CZ2-NZ 3.28Å; W187-W208 HydrophobicContact CB-CH2 4.06Å; W187-W208 VanDerWaalsContact O-CH2 3.28Å; W187-W208 WeakPolarHBondContact O-CH2 3.48Å
188	Q	97.6	Very high	96	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.009	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	160	176.6	63.7	-169.3	-25.6	0	0	112.9	N125 W190 F196 L198 H221 H260	N125-Q188 VanDerWaalsContact CG-NE2 3.31Å; N125-Q188 PolarHBondContact OD1-NE2 3.04Å; Q188-W190 PolarHBondContact O-N 2.61Å; Q188-F196 PolarHBondContact N-O 3.01Å; Q188-L198 PolarHBondContact O-N 3.44Å; Q188-H221 PolarHBondContact NE2-CD2 3.12Å; Q188-H221 PolarHBondContact OE1-CD2 3.12Å; Q188-H221 VanDerWaalsContact OE1-CD2 3.28Å; Q188-H260 PolarHBondContact OE1-CD2 3.04Å; Q188-H260 PolarHBondContact OE1-CE1 3.32Å; Q188-H260 VanDerWaalsContact OE1-CE1 3.28Å; Q188-H260 VanDerWaalsContact OE1-CG 3.25Å; Q188-H260 PolarHBondContact OE1-ND1 2.97Å; Q188-H260 PolarHBondContact OE1-NE2 3.44Å
189	P	97.4	Very high	96.1	Very high	13 Å²	13	33 Å²	33	8%	0.084	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	135.1	169.2	-21.5	32.3	0	0	0	111.7	F191 R200 L204 C240	P189-F191 PolarHBondContact O-N 3.48Å; P189-R200 HydrophobicContact CB-CG 3.87Å; P189-R200 VanDerWaalsContact CB-CZ 3.48Å; P189-R200 HydrophobicContact CG-CG 4.46Å; P189-L204 HydrophobicContact CB-CD1 4.08Å; P189-L204 HydrophobicContact CG-CD1 3.66Å; P189-C240 HydrophobicContact CG-CB 3.77Å
190	W	94.6	Very high	96.2	Very high	166 Å²	166	35.1 Å²	35.1	63%	0.629	16%	0.161	S	C	*	.			trans	-41.1	129.1	-176.2	-171.1	95.4	0	0	0	115	Q188 N197 L198	Q188-W190 PolarHBondContact O-N 2.61Å; W190-N197 VanDerWaalsContact CA-OD1 3.27Å; W190-N197 WeakPolarHBondContact CA-OD1 3.18Å; W190-N197 HydrophobicContact CB-CB 4.42Å; W190-N197 HydrophobicContact CG-CB 4.34Å; W190-L198 PolarHBondContact N-O 2.86Å
191	F	86.8	Confident	96.2	Very high	60 Å²	60	35.3 Å²	35.3	26%	0.263	16%	0.163	S	C	.	.			trans	-144.1	114.2	178.2	-177.7	-107.2	0	0	0	111.6	P189 G193 W194 N197 H260	P189-F191 PolarHBondContact O-N 3.48Å; F191-G193 PolarHBondContact O-N 3.01Å; F191-W194 PolarHBondContact O-N 3.24Å; F191-N197 PolarHBondContact N-ND2 2.93Å; F191-N197 PolarHBondContact N-OD1 3.44Å; F191-N197 PolarHBondContact O-ND2 2.95Å; F191-H260 AromaticContact CD1-CE1 3.6Å; F191-H260 AromaticContact CD1-NE2 3.87Å; F191-H260 AromaticContact CE1-CE1 3.9Å; F191-H260 AromaticContact CG-NE2 3.87Å
192	Y	86.6	Confident	96.2	Very high	123 Å²	123	36.7 Å²	36.7	48%	0.482	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	25.4	174.1	-62.6	-67	0	0	0	117.1	W194 K234	Y192-W194 VanDerWaalsContact C-N 3.33Å; Y192-W194 PolarHBondContact O-N 2.88Å; Y192-K234 PolarHBondContact OH-NZ 3.45Å; Y192-K234 VanDerWaalsContact OH-NZ 3.14Å
193	G	88.3	Confident	96.2	Very high	28 Å²	28	38 Å²	38	29%	0.289	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	32.1	175.8	0	0	0	0	0	114.2	F134 F191	F134-G193 VanDerWaalsContact CE2-O 3.26Å; F134-G193 WeakPolarHBondContact CE2-O 3.48Å; F191-G193 PolarHBondContact O-N 3.01Å
194	W	94.3	Very high	96.2	Very high	42 Å²	42	37.8 Å²	37.8	16%	0.159	18%	0.183	C	C	.	.			trans	-85.3	178.1	168.7	-65.8	87	0	0	0	112.7	L98 N125 H126 L128 F146 F191 Y192 N197	L98-W194 HydrophobicContact CD2-CH2 4.05Å; L98-W194 HydrophobicContact CD2-CZ3 3.86Å; N125-W194 HydrophobicContact CB-CB 3.48Å; N125-W194 VanDerWaalsContact CB-CB 3.48Å; N125-W194 HydrophobicContact CB-CG 4.14Å; H126-W194 AromaticContact CE1-CH2 3.36Å; H126-W194 WeakPolarHBondContact CE1-CH2 3.12Å; H126-W194 AromaticContact CE1-CZ2 3.78Å; H126-W194 AromaticContact CE1-CZ3 3.59Å; H126-W194 AromaticContact CG-CZ3 3.93Å; H126-W194 AromaticContact ND1-CH2 3.61Å; H126-W194 AromaticContact ND1-CZ3 3.42Å; H126-W194 WeakPolarHBondContact ND1-CZ3 3.32Å; L128-W194 HydrophobicContact CD1-CE3 4.32Å; L128-W194 HydrophobicContact CD1-CZ3 4.26Å; L128-W194 HydrophobicContact CD2-CB 4.48Å; L128-W194 HydrophobicContact CD2-CE3 3.84Å; L128-W194 HydrophobicContact CG-CE3 4.26Å; L128-W194 HydrophobicContact CG-CZ3 4.49Å; F146-W194 HydrophobicContact CE1-CE3 4.18Å; F146-W194 AromaticContact CE1-CH2 3.59Å; F146-W194 HydrophobicContact CE1-CH2 3.59Å; F146-W194 AromaticContact CE1-CZ2 3.98Å; F146-W194 HydrophobicContact CE1-CZ2 3.98Å; F146-W194 AromaticContact CE1-CZ3 3.72Å; F146-W194 HydrophobicContact CE1-CZ3 3.72Å; F146-W194 AromaticContact CZ-CD2 3.97Å; F146-W194 HydrophobicContact CZ-CD2 3.97Å; F146-W194 AromaticContact CZ-CE3 3.9Å; F146-W194 HydrophobicContact CZ-CE3 3.9Å; F146-W194 HydrophobicContact CZ-CH2 4.02Å; F146-W194 HydrophobicContact CZ-CZ2 4.11Å; F146-W194 AromaticContact CZ-CZ3 3.93Å; F146-W194 HydrophobicContact CZ-CZ3 3.93Å; F191-W194 PolarHBondContact O-N 3.24Å; Y192-W194 VanDerWaalsContact C-N 3.33Å; Y192-W194 PolarHBondContact O-N 2.88Å; W194-N197 PolarHBondContact N-ND2 3.36Å; W194-N197 VanDerWaalsContact N-ND2 3.14Å; W194-N197 PolarHBondContact O-ND2 3.14Å
195	G	95.9	Very high	96.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	162	177.6	0	0	0	0	0	113.5	N125 L128 N197	N125-G195 WeakPolarHBondContact CA-O 3.26Å; N125-G195 PolarHBondContact O-N 3.17Å; L128-G195 VanDerWaalsContact CD2-N 3.29Å; G195-N197 PolarHBondContact O-N 3.02Å; G195-N197 VanDerWaalsContact O-N 3.08Å
196	F	97.8	Very high	96.1	Very high	1 Å²	1	43 Å²	43	0%	0.004	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	26.2	178.8	-58.8	-74.2	0	0	0	114.9	A123 G124 E127 F130 D131 P186 W187 Q188	A123-F196 HydrophobicContact CB-CD2 4.3Å; A123-F196 HydrophobicContact CB-CE2 3.63Å; A123-F196 HydrophobicContact CB-CZ 4.05Å; G124-F196 VanDerWaalsContact O-CD2 3.3Å; G124-F196 WeakPolarHBondContact O-CD2 3.19Å; E127-F196 HydrophobicContact CB-CE2 4.46Å; F130-F196 HydrophobicContact CB-CE2 3.85Å; F130-F196 HydrophobicContact CB-CZ 3.69Å; D131-F196 HydrophobicContact CB-CD1 4.31Å; D131-F196 HydrophobicContact CB-CD2 4.23Å; D131-F196 HydrophobicContact CB-CE1 4.07Å; D131-F196 HydrophobicContact CB-CE2 3.98Å; D131-F196 HydrophobicContact CB-CG 4.41Å; D131-F196 HydrophobicContact CB-CZ 3.91Å; D131-F196 PolarHBondContact OD2-N 3.43Å; P186-F196 HydrophobicContact CB-CB 4.16Å; P186-F196 HydrophobicContact CB-CD1 3.81Å; P186-F196 HydrophobicContact CB-CD2 4.06Å; P186-F196 HydrophobicContact CB-CE1 4.15Å; P186-F196 HydrophobicContact CB-CE2 4.37Å; P186-F196 HydrophobicContact CB-CG 3.74Å; P186-F196 HydrophobicContact CB-CZ 4.4Å; P186-F196 HydrophobicContact CG-CB 4.4Å; P186-F196 HydrophobicContact CG-CD1 3.31Å; P186-F196 HydrophobicContact CG-CD2 4.42Å; P186-F196 HydrophobicContact CG-CE1 3.49Å; P186-F196 VanDerWaalsContact CG-CE1 3.49Å; P186-F196 HydrophobicContact CG-CG 3.8Å; P186-F196 HydrophobicContact CG-CZ 4.12Å; W187-F196 WeakPolarHBondContact CA-O 3.36Å; W187-F196 HydrophobicContact CD2-CD1 4.37Å; W187-F196 HydrophobicContact CE3-CB 4.15Å; W187-F196 HydrophobicContact CE3-CD1 4.22Å; W187-F196 HydrophobicContact CH2-CD1 4.21Å; W187-F196 HydrophobicContact CZ2-CD1 4.31Å; W187-F196 HydrophobicContact CZ3-CD1 4.16Å; Q188-F196 PolarHBondContact N-O 3.01Å
197	N	96.1	Very high	96.1	Very high	24 Å²	24	45.5 Å²	45.5	13%	0.128	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	130.8	174.6	-85.8	-37.3	0	0	0	110.8	W190 F191 W194 G195	W190-N197 VanDerWaalsContact CA-OD1 3.27Å; W190-N197 WeakPolarHBondContact CA-OD1 3.18Å; W190-N197 HydrophobicContact CB-CB 4.42Å; W190-N197 HydrophobicContact CG-CB 4.34Å; F191-N197 PolarHBondContact N-ND2 2.93Å; F191-N197 PolarHBondContact N-OD1 3.44Å; F191-N197 PolarHBondContact O-ND2 2.95Å; W194-N197 PolarHBondContact N-ND2 3.36Å; W194-N197 VanDerWaalsContact N-ND2 3.14Å; W194-N197 PolarHBondContact O-ND2 3.14Å; G195-N197 PolarHBondContact O-N 3.02Å; G195-N197 VanDerWaalsContact O-N 3.08Å
198	L	98	Very high	96.1	Very high	29 Å²	29	44.7 Å²	44.7	15%	0.152	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	153.2	168.1	-71.4	172.4	0	0	0	111.3	W187 Q188 W190 A203 L204 K207	W187-L198 HydrophobicContact CB-CD1 4.41Å; W187-L198 HydrophobicContact CD2-CD1 3.74Å; W187-L198 HydrophobicContact CD2-CG 4.33Å; W187-L198 HydrophobicContact CE3-CD1 3.45Å; W187-L198 VanDerWaalsContact CE3-CD1 3.45Å; W187-L198 HydrophobicContact CE3-CD2 4.36Å; W187-L198 HydrophobicContact CE3-CG 3.54Å; W187-L198 HydrophobicContact CG-CD1 4.14Å; W187-L198 HydrophobicContact CZ3-CD1 3.96Å; W187-L198 HydrophobicContact CZ3-CD2 4.16Å; W187-L198 HydrophobicContact CZ3-CG 3.84Å; Q188-L198 PolarHBondContact O-N 3.44Å; W190-L198 PolarHBondContact N-O 2.86Å; L198-A203 HydrophobicContact CB-CB 4.23Å; L198-A203 HydrophobicContact CD2-CB 4.48Å; L198-L204 HydrophobicContact CB-CD2 3.83Å; L198-L204 HydrophobicContact CB-CG 3.98Å; L198-L204 HydrophobicContact CD1-CD2 4.28Å; L198-K207 HydrophobicContact CD1-CD 4.43Å; L198-K207 HydrophobicContact CD1-CG 3.7Å
199	P	98.1	Very high	96.2	Very high	86 Å²	86	47.7 Å²	47.7	56%	0.558	23%	0.231	S	C	*	.			trans	-56.7	145.5	167.7	-22.6	33.7	0	0	0	111.4
200	R	98.6	Very high	96.2	Very high	70 Å²	70	51.6 Å²	51.6	26%	0.264	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	156.2	171.4	-68.3	176.5	179.4	-84.2	-7.4	111	S27 P189 V238 G239	S27-R200 WeakPolarHBondContact O-CD 3.19Å; P189-R200 HydrophobicContact CB-CG 3.87Å; P189-R200 VanDerWaalsContact CB-CZ 3.48Å; P189-R200 HydrophobicContact CG-CG 4.46Å; R200-V238 PolarHBondContact NH2-O 2.81Å; R200-G239 PolarHBondContact NH1-O 2.91Å
201	G	98.6	Very high	96.4	Very high	5 Å²	5	43.7 Å²	43.7	5%	0.052	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	-129.3	179.2	0	0	0	0	0	111.9	S27 A203 L204 L205 E242	S27-G201 WeakPolarHBondContact OG-CA 3.42Å; S27-G201 PolarHBondContact OG-N 3.02Å; G201-A203 PolarHBondContact O-N 2.84Å; G201-L204 PolarHBondContact O-N 3.29Å; G201-L205 WeakPolarHBondContact O-CB 3.18Å; G201-L205 PolarHBondContact O-N 3.22Å; G201-E242 PolarHBondContact N-OE2 2.9Å
202	Q	98.6	Very high	96.9	Very high	99 Å²	99	42.2 Å²	42.2	46%	0.463	22%	0.217	S	C	.	.	H	α-helix	trans	-59.2	-41.7	-166	-172.3	59.6	38	0	0	113.5	V23 L204 L205 E206	V23-Q202 HydrophobicContact CG2-CB 4.01Å; V23-Q202 VanDerWaalsContact CG2-OE1 3.26Å; Q202-L204 PolarHBondContact O-N 2.73Å; Q202-L205 PolarHBondContact O-N 2.96Å; Q202-E206 WeakPolarHBondContact CG-OE1 3.46Å; Q202-E206 PolarHBondContact NE2-OE1 2.95Å; Q202-E206 WeakPolarHBondContact O-CG 3.39Å; Q202-E206 PolarHBondContact O-N 3.35Å
203	A	98.4	Very high	97.4	Very high	28 Å²	28	39.7 Å²	39.7	23%	0.231	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-42	-177.8	0	0	0	0	0	112.5	L198 G201	L198-A203 HydrophobicContact CB-CB 4.23Å; L198-A203 HydrophobicContact CD2-CB 4.48Å; G201-A203 PolarHBondContact O-N 2.84Å
204	L	98.7	Very high	97.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-72.7	-40.2	173.4	-77.7	174.3	0	0	0	112.1	W187 P189 L198 G201 Q202 E206 K207 W208	W187-L204 HydrophobicContact CB-CD2 4.06Å; P189-L204 HydrophobicContact CB-CD1 4.08Å; P189-L204 HydrophobicContact CG-CD1 3.66Å; L198-L204 HydrophobicContact CB-CD2 3.83Å; L198-L204 HydrophobicContact CB-CG 3.98Å; L198-L204 HydrophobicContact CD1-CD2 4.28Å; G201-L204 PolarHBondContact O-N 3.29Å; Q202-L204 PolarHBondContact O-N 2.73Å; L204-E206 PolarHBondContact O-N 3Å; L204-K207 WeakPolarHBondContact O-CB 3.45Å; L204-K207 PolarHBondContact O-N 2.86Å; L204-W208 HydrophobicContact CD2-CZ2 3.87Å; L204-W208 PolarHBondContact O-N 3.16Å; L204-W208 PolarHBondContact O-NE1 2.92Å
205	L	98.8	Very high	98	Very high	3 Å²	3	39 Å²	39	2%	0.016	22%	0.216	C	C	.	.	H	α-helix	trans	-58	-37.7	177.2	-177.3	56.9	0	0	0	112.1	I21 V23 G201 Q202 K207 W208 N209 E242	I21-L205 HydrophobicContact CB-CD1 3.97Å; I21-L205 HydrophobicContact CG2-CD1 3.69Å; V23-L205 HydrophobicContact CG2-CD2 3.68Å; G201-L205 WeakPolarHBondContact O-CB 3.18Å; G201-L205 PolarHBondContact O-N 3.22Å; Q202-L205 PolarHBondContact O-N 2.96Å; L205-K207 VanDerWaalsContact C-N 3.28Å; L205-K207 PolarHBondContact O-N 3.47Å; L205-W208 CarbonylContact O-C 3.57Å; L205-W208 PolarHBondContact O-N 3.01Å; L205-N209 WeakPolarHBondContact O-CB 3.23Å; L205-N209 PolarHBondContact O-N 3.02Å; L205-N209 PolarHBondContact O-ND2 2.84Å; L205-E242 HydrophobicContact CB-CB 4.24Å; L205-E242 HydrophobicContact CB-CG 3.9Å; L205-E242 HydrophobicContact CD1-CB 4.22Å; L205-E242 HydrophobicContact CD1-CG 4.3Å; L205-E242 HydrophobicContact CG-CG 4.47Å
206	E	98.6	Very high	98.1	Very high	108 Å²	108	40.7 Å²	40.7	51%	0.505	23%	0.226	S	C	.	.	H	α-helix	trans	-58.7	-39.9	175.1	-77.4	168.7	-172.8	0	0	112.2	Q202 L204	Q202-E206 WeakPolarHBondContact CG-OE1 3.46Å; Q202-E206 PolarHBondContact NE2-OE1 2.95Å; Q202-E206 WeakPolarHBondContact O-CG 3.39Å; Q202-E206 PolarHBondContact O-N 3.35Å; L204-E206 PolarHBondContact O-N 3Å
207	K	98.7	Very high	98.2	Very high	51 Å²	51	40.6 Å²	40.6	22%	0.222	23%	0.225	C	C	.	.	H	α-helix	trans	-67.9	-45	173	-58	-58.9	-172.1	168	0	111.5	D172 W187 L198 L204 L205 N209 L210	D172-K207 IonicContact OD2-NZ 3.84Å; W187-K207 HydrophobicContact CB-CG 4.36Å; W187-K207 VanDerWaalsContact CD1-CG 3.48Å; W187-K207 HydrophobicContact CD2-CD 4.35Å; W187-K207 HydrophobicContact CD2-CG 4.21Å; W187-K207 HydrophobicContact CG-CB 4.28Å; W187-K207 HydrophobicContact CG-CD 4.23Å; W187-K207 HydrophobicContact CG-CG 3.78Å; W187-K207 VanDerWaalsContact CZ2-NZ 3.28Å; L198-K207 HydrophobicContact CD1-CD 4.43Å; L198-K207 HydrophobicContact CD1-CG 3.7Å; L204-K207 WeakPolarHBondContact O-CB 3.45Å; L204-K207 PolarHBondContact O-N 2.86Å; L205-K207 VanDerWaalsContact C-N 3.28Å; L205-K207 PolarHBondContact O-N 3.47Å; K207-N209 PolarHBondContact O-N 3.22Å; K207-L210 HydrophobicContact CD-CD1 4.38Å; K207-L210 VanDerWaalsContact O-CB 3.26Å; K207-L210 WeakPolarHBondContact O-CB 3.3Å; K207-L210 PolarHBondContact O-N 3.38Å
208	W	98.7	Very high	98.3	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-66.7	-24.7	179.3	-50.2	145.2	0	0	0	113.6	W187 L204 L205 L210 I211 T220 C240 L243 T246 R250	W187-W208 HydrophobicContact CB-CH2 4.06Å; W187-W208 VanDerWaalsContact O-CH2 3.28Å; W187-W208 WeakPolarHBondContact O-CH2 3.48Å; L204-W208 HydrophobicContact CD2-CZ2 3.87Å; L204-W208 PolarHBondContact O-N 3.16Å; L204-W208 PolarHBondContact O-NE1 2.92Å; L205-W208 CarbonylContact O-C 3.57Å; L205-W208 PolarHBondContact O-N 3.01Å; W208-L210 PolarHBondContact O-N 2.93Å; W208-I211 HydrophobicContact CB-CD1 4.33Å; W208-I211 HydrophobicContact CE3-CD1 4.13Å; W208-I211 WeakPolarHBondContact O-CB 3.43Å; W208-I211 WeakPolarHBondContact O-CG1 3.4Å; W208-I211 PolarHBondContact O-N 3.31Å; W208-T220 HydrophobicContact CH2-CG2 4.14Å; W208-T220 HydrophobicContact CZ3-CG2 3.95Å; W208-C240 PolarHBondContact NE1-SG 3.04Å; W208-L243 HydrophobicContact CD2-CB 4.47Å; W208-L243 HydrophobicContact CD2-CD1 3.83Å; W208-L243 HydrophobicContact CE3-CD1 4.01Å; W208-L243 HydrophobicContact CG-CD1 4.25Å; W208-L243 HydrophobicContact CH2-CD1 4.43Å; W208-L243 HydrophobicContact CH2-CD2 4.43Å; W208-L243 HydrophobicContact CZ2-CB 4.31Å; W208-L243 HydrophobicContact CZ2-CD1 4.29Å; W208-L243 HydrophobicContact CZ2-CD2 4.17Å; W208-L243 HydrophobicContact CZ2-CG 4.49Å; W208-L243 HydrophobicContact CZ3-CD1 4.32Å; W208-T246 HydrophobicContact CB-CG2 4.18Å; W208-R250 PolarHBondContact O-NH2 2.92Å
209	N	98.5	Very high	98.4	Very high	65 Å²	65	38.1 Å²	38.1	35%	0.348	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-19.5	172.8	-76.6	-25.5	0	0	0	113.2	L205 K207 I211	L205-N209 WeakPolarHBondContact O-CB 3.23Å; L205-N209 PolarHBondContact O-N 3.02Å; L205-N209 PolarHBondContact O-ND2 2.84Å; K207-N209 PolarHBondContact O-N 3.22Å; N209-I211 VanDerWaalsContact C-N 3.28Å
210	L	98.4	Very high	98.4	Very high	94 Å²	94	34 Å²	34	49%	0.492	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-23.2	174.2	-56.9	177.4	0	0	0	112.4	D172 Y183 K207 W208 P212	D172-L210 HydrophobicContact CB-CD1 4.23Å; Y183-L210 WeakPolarHBondContact OH-CB 3.18Å; K207-L210 HydrophobicContact CD-CD1 4.38Å; K207-L210 VanDerWaalsContact O-CB 3.26Å; K207-L210 WeakPolarHBondContact O-CB 3.3Å; K207-L210 PolarHBondContact O-N 3.38Å; W208-L210 PolarHBondContact O-N 2.93Å; L210-P212 WeakPolarHBondContact O-CD 3.05Å; L210-P212 VanDerWaalsContact O-N 3.16Å
211	I	98.6	Very high	98.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-61.7	118	-179.6	-52.7	168.7	0	0	0	108.7	Y183 W208 N209 I215 L218 T246 R250 I251	Y183-I211 HydrophobicContact CD1-CB 4.39Å; Y183-I211 HydrophobicContact CD1-CG1 3.86Å; Y183-I211 HydrophobicContact CD1-CG2 4.16Å; Y183-I211 HydrophobicContact CE1-CB 4.35Å; Y183-I211 HydrophobicContact CE1-CG1 3.63Å; Y183-I211 HydrophobicContact CG-CG2 4.24Å; W208-I211 HydrophobicContact CB-CD1 4.33Å; W208-I211 HydrophobicContact CE3-CD1 4.13Å; W208-I211 WeakPolarHBondContact O-CB 3.43Å; W208-I211 WeakPolarHBondContact O-CG1 3.4Å; W208-I211 PolarHBondContact O-N 3.31Å; N209-I211 VanDerWaalsContact C-N 3.28Å; I211-I215 HydrophobicContact CG2-CG1 4.12Å; I211-L218 HydrophobicContact CD1-CD1 3.93Å; I211-L218 HydrophobicContact CD1-CD2 4.2Å; I211-L218 HydrophobicContact CG1-CD1 4.38Å; I211-L218 HydrophobicContact CG2-CD1 4.3Å; I211-T246 HydrophobicContact CD1-CG2 4.15Å; I211-R250 PolarHBondContact O-NH1 3.43Å; I211-R250 PolarHBondContact O-NH2 2.84Å; I211-I251 HydrophobicContact CB-CD1 4.12Å; I211-I251 HydrophobicContact CB-CG1 4.32Å; I211-I251 HydrophobicContact CG2-CD1 3.72Å; I211-I251 HydrophobicContact CG2-CG1 3.85Å; I211-I251 HydrophobicContact CG2-CG2 4.25Å
212	P	97.8	Very high	98.4	Very high	30 Å²	30	30.6 Å²	30.6	20%	0.195	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-64.8	156.1	178.5	-21.2	33.5	0	0	0	112	Y183 L210 I215 I251	Y183-P212 VanDerWaalsContact CD2-CD 3.4Å; Y183-P212 HydrophobicContact CD2-CG 4.24Å; Y183-P212 HydrophobicContact CE2-CG 4.46Å; L210-P212 WeakPolarHBondContact O-CD 3.05Å; L210-P212 VanDerWaalsContact O-N 3.16Å; P212-I215 HydrophobicContact CB-CD1 4.39Å; P212-I215 HydrophobicContact CB-CG1 4.39Å; P212-I215 HydrophobicContact CG-CD1 4.41Å; P212-I215 VanDerWaalsContact O-CG1 3.31Å; P212-I215 WeakPolarHBondContact O-CG1 3.48Å; P212-I251 VanDerWaalsContact O-CD1 3.27Å; P212-I251 WeakPolarHBondContact O-CD1 3.4Å
213	D	96.5	Very high	98.4	Very high	70 Å²	70	26.1 Å²	26.1	37%	0.374	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	150.9	170	-55.2	-38.5	0	0	0	109.8	R18 R181 R250	R18-D213 IonicContact NE-OD2 3.25Å; R18-D213 PolarHBondContact NE-OD2 3.07Å; R181-D213 PolarHBondContact NH1-O 2.75Å; D213-R250 IonicContact OD1-CZ 3.6Å; D213-R250 IonicContact OD1-NH1 3.1Å; D213-R250 PolarHBondContact OD1-NH1 3.14Å
214	G	96.2	Very high	98.4	Very high	50 Å²	50	24.8 Å²	24.8	52%	0.515	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	75	29.6	179.2	0	0	0	0	0	114.9	R181	R181-G214 PolarHBondContact NH1-O 2.93Å
215	I	98.3	Very high	98.4	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.021	14%	0.141	C	C	.	.			trans	-78.8	128.6	169.3	-68.1	-59.5	0	0	0	109.2	E174 R181 I211 P212 I217 I251 P253	E174-I215 HydrophobicContact CB-CD1 4.42Å; E174-I215 VanDerWaalsContact OE2-CD1 3.26Å; E174-I215 WeakPolarHBondContact OE2-CD1 3.33Å; R181-I215 HydrophobicContact CB-CD1 4.07Å; I211-I215 HydrophobicContact CG2-CG1 4.12Å; P212-I215 HydrophobicContact CB-CD1 4.39Å; P212-I215 HydrophobicContact CB-CG1 4.39Å; P212-I215 HydrophobicContact CG-CD1 4.41Å; P212-I215 VanDerWaalsContact O-CG1 3.31Å; P212-I215 WeakPolarHBondContact O-CG1 3.48Å; I215-I217 WeakPolarHBondContact CG2-O 3.39Å; I215-I251 HydrophobicContact CB-CG2 4.05Å; I215-P253 WeakPolarHBondContact O-CA 3.43Å
216	D	98.7	Very high	98.4	Very high	36 Å²	36	24.8 Å²	24.8	19%	0.193	14%	0.141	C	C	.	.	S	Bend	trans	-80.1	-40	176.9	-64.9	-71.1	0	0	0	111.7	F180 R181 R254 L255	F180-D216 WeakPolarHBondContact CA-OD2 3.47Å; F180-D216 HydrophobicContact CB-CB 4.42Å; F180-D216 HydrophobicContact CD1-CB 3.99Å; R181-D216 PolarHBondContact N-OD2 3.08Å; R181-D216 PolarHBondContact O-N 2.85Å; D216-R254 PolarHBondContact O-N 3.32Å; D216-L255 PolarHBondContact O-N 3.44Å
217	I	98.9	Very high	98.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	120.9	-175	-51.7	-179.9	0	0	0	109.5	F68 I90 F180 R181 I182 Y183 I215 I219 L255 L296	F68-I217 HydrophobicContact CD1-CD1 4.03Å; F68-I217 HydrophobicContact CD2-CD1 4.44Å; F68-I217 HydrophobicContact CE1-CD1 3.42Å; F68-I217 VanDerWaalsContact CE1-CD1 3.42Å; F68-I217 HydrophobicContact CE2-CD1 3.9Å; F68-I217 HydrophobicContact CG-CD1 4.5Å; F68-I217 HydrophobicContact CZ-CD1 3.35Å; I90-I217 HydrophobicContact CD1-CG2 4.03Å; F180-I217 HydrophobicContact CB-CD1 4.38Å; F180-I217 HydrophobicContact CD1-CD1 4.14Å; F180-I217 HydrophobicContact CD1-CG1 4.45Å; F180-I217 HydrophobicContact CG-CD1 4.37Å; R181-I217 PolarHBondContact O-N 2.57Å; R181-I217 VanDerWaalsContact O-N 3.13Å; I182-I217 VanDerWaalsContact CA-O 3.3Å; I182-I217 WeakPolarHBondContact CA-O 3.15Å; I182-I217 HydrophobicContact CB-CB 4.42Å; I182-I217 HydrophobicContact CD1-CB 4.44Å; I182-I217 HydrophobicContact CD1-CD1 3.89Å; I182-I217 HydrophobicContact CG1-CB 4.02Å; I182-I217 HydrophobicContact CG1-CD1 4.19Å; I182-I217 HydrophobicContact CG1-CG1 4.36Å; I182-I217 HydrophobicContact CG2-CB 4.12Å; I182-I217 HydrophobicContact CG2-CG2 4.21Å; Y183-I217 PolarHBondContact N-O 3.23Å; I215-I217 WeakPolarHBondContact CG2-O 3.39Å; I217-I219 HydrophobicContact CG2-CG1 4.39Å; I217-L255 CarbonylContact C-O 3.55Å; I217-L255 VanDerWaalsContact CA-O 3.3Å; I217-L255 WeakPolarHBondContact CA-O 3.18Å; I217-L255 HydrophobicContact CD1-CD2 4.37Å; I217-L255 HydrophobicContact CG1-CB 4.23Å; I217-L255 HydrophobicContact CG2-CB 4.21Å; I217-L255 HydrophobicContact CG2-CD2 4.07Å; I217-L255 HydrophobicContact CG2-CG 4.16Å; I217-L296 HydrophobicContact CD1-CD1 3.98Å; I217-L296 HydrophobicContact CG1-CD1 4.19Å
218	L	98.9	Very high	98.4	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	135.4	172.8	-179.6	61.9	0	0	0	109.6	Y183 I211 T220 L243 V247 P253 L255 H256 V257	Y183-L218 HydrophobicContact CD1-CD1 3.9Å; I211-L218 HydrophobicContact CD1-CD1 3.93Å; I211-L218 HydrophobicContact CD1-CD2 4.2Å; I211-L218 HydrophobicContact CG1-CD1 4.38Å; I211-L218 HydrophobicContact CG2-CD1 4.3Å; L218-T220 HydrophobicContact CD1-CG2 4.28Å; L218-T220 HydrophobicContact CD2-CG2 4.38Å; L218-T220 HydrophobicContact CG-CG2 4.18Å; L218-L243 HydrophobicContact CD2-CD1 4.21Å; L218-V247 HydrophobicContact CD2-CG2 3.64Å; L218-P253 HydrophobicContact CB-CB 4.28Å; L218-P253 HydrophobicContact CB-CG 4.05Å; L218-L255 PolarHBondContact N-O 2.79Å; L218-H256 CarbonylContact O-C 3.5Å; L218-H256 VanDerWaalsContact O-CA 3.28Å; L218-H256 WeakPolarHBondContact O-CA 3.44Å; L218-H256 PolarHBondContact O-CD2 2.9Å; L218-V257 PolarHBondContact O-N 3.16Å
219	I	98.9	Very high	98.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	118.4	173.1	-47	165.9	0	0	0	107.6	I90 A92 I120 I122 I182 Y183 G184 S185 I217 V257	I90-I219 HydrophobicContact CD1-CD1 4.49Å; I90-I219 HydrophobicContact CG1-CD1 4.35Å; I90-I219 HydrophobicContact CG2-CD1 3.68Å; I90-I219 HydrophobicContact CG2-CG1 3.94Å; I90-I219 HydrophobicContact CG2-CG2 4.07Å; A92-I219 HydrophobicContact CB-CG2 3.82Å; I120-I219 HydrophobicContact CB-CD1 4.4Å; I120-I219 HydrophobicContact CG2-CD1 3.65Å; I122-I219 HydrophobicContact CD1-CB 4.49Å; I122-I219 HydrophobicContact CD1-CG2 3.68Å; I122-I219 HydrophobicContact CG1-CG2 3.84Å; I122-I219 HydrophobicContact CG2-CB 4.25Å; I122-I219 HydrophobicContact CG2-CG2 4.08Å; I182-I219 HydrophobicContact CG2-CD1 3.57Å; I182-I219 HydrophobicContact CG2-CG1 4.09Å; Y183-I219 PolarHBondContact O-N 2.93Å; G184-I219 CarbonylContact C-O 3.56Å; G184-I219 WeakPolarHBondContact CA-O 3.42Å; S185-I219 PolarHBondContact N-O 3.04Å; I217-I219 HydrophobicContact CG2-CG1 4.39Å; I219-V257 WeakPolarHBondContact CA-O 3.31Å
220	T	98.9	Very high	98.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	155.8	169.5	58.4	0	0	0	0	109.4	S185 W208 L218 G222 L243 H256 V257 F258	S185-T220 VanDerWaalsContact O-CA 3.27Å; S185-T220 WeakPolarHBondContact O-CA 3.2Å; W208-T220 HydrophobicContact CH2-CG2 4.14Å; W208-T220 HydrophobicContact CZ3-CG2 3.95Å; L218-T220 HydrophobicContact CD1-CG2 4.28Å; L218-T220 HydrophobicContact CD2-CG2 4.38Å; L218-T220 HydrophobicContact CG-CG2 4.18Å; T220-G222 PolarHBondContact OG1-O 3.24Å; T220-L243 HydrophobicContact CG2-CD1 4.13Å; T220-L243 HydrophobicContact CG2-CD2 4.09Å; T220-H256 PolarHBondContact OG1-NE2 3.16Å; T220-V257 PolarHBondContact N-O 3.03Å; T220-F258 WeakPolarHBondContact O-CA 3.21Å; T220-F258 WeakPolarHBondContact O-CB 3.33Å
221	H	98.9	Very high	98.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-72.9	-50.9	177.2	-178.7	53.4	0	0	0	111.4	D73 A92 D94 I122 G124 N125 S185 Q188 G259 H260	D73-H221 IonicContact OD1-CE1 3.9Å; D73-H221 PolarHBondContact OD1-CE1 3.1Å; A92-H221 PolarHBondContact O-ND1 3.28Å; D94-H221 IonicContact OD1-CE1 2.72Å; D94-H221 IonicContact OD1-NE2 3.6Å; D94-H221 IonicContact OD2-CE1 2.8Å; D94-H221 PolarHBondContact OD2-CE1 2.84Å; D94-H221 IonicContact OD2-NE2 3.23Å; D94-H221 PolarHBondContact OD2-NE2 3.08Å; I122-H221 HydrophobicContact CD1-CB 4.17Å; I122-H221 VanDerWaalsContact CD1-N 3.33Å; G124-H221 WeakPolarHBondContact CA-CD2 3.34Å; N125-H221 PolarHBondContact OD1-CD2 2.83Å; N125-H221 PolarHBondContact OD1-NE2 3.14Å; S185-H221 PolarHBondContact O-N 2.97Å; Q188-H221 PolarHBondContact NE2-CD2 3.12Å; Q188-H221 PolarHBondContact OE1-CD2 3.12Å; Q188-H221 VanDerWaalsContact OE1-CD2 3.28Å; H221-G259 CarbonylContact O-C 3.57Å; H221-G259 VanDerWaalsContact O-C 3.31Å; H221-G259 PolarHBondContact O-N 2.8Å; H221-H260 AromaticContact CD2-ND1 3.9Å; H221-H260 AromaticContact NE2-CG 3.7Å; H221-H260 AromaticContact NE2-ND1 3.28Å; H221-H260 PolarHBondContact NE2-ND1 3.28Å
222	G	98.3	Very high	98.3	Very high	4 Å²	4	19 Å²	19	4%	0.041	11%	0.113	C	C	.	.	S	Bend	trans	-88	159.6	176.6	0	0	0	0	0	114.4	T220	T220-G222 PolarHBondContact OG1-O 3.24Å
223	P	98.8	Very high	98.2	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.032	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-77	155	-179.8	30.1	-35.9	0	0	0	114	D229 G239 C240 F258 I261	P223-D229 HydrophobicContact CB-CB 3.86Å; P223-D229 HydrophobicContact CG-CB 3.55Å; P223-G239 CarbonylContact O-C 3.6Å; P223-G239 WeakPolarHBondContact O-CA 3.27Å; P223-C240 PolarHBondContact O-N 3.29Å; P223-F258 HydrophobicContact CB-CD2 3.6Å; P223-F258 HydrophobicContact CB-CE2 3.45Å; P223-F258 VanDerWaalsContact CB-CE2 3.45Å; P223-F258 HydrophobicContact CB-CG 4.3Å; P223-F258 HydrophobicContact CB-CZ 4.07Å; P223-I261 HydrophobicContact CG-CG1 3.71Å
224	P	98.9	Very high	98	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-71.1	157.3	161.1	31.7	-30.3	0	0	0	110.5	G226 F227 L243 L244 F258 Y275	P224-G226 PolarHBondContact O-N 2.92Å; P224-F227 HydrophobicContact CG-CB 4.25Å; P224-L243 HydrophobicContact CB-CB 4.41Å; P224-L243 HydrophobicContact CB-CD2 4.24Å; P224-L243 HydrophobicContact CB-CG 4.07Å; P224-L244 HydrophobicContact CB-CB 4.02Å; P224-L244 HydrophobicContact CB-CD1 4.38Å; P224-F258 HydrophobicContact CG-CE1 4.25Å; P224-Y275 HydrophobicContact CG-CD1 3.78Å; P224-Y275 HydrophobicContact CG-CE1 3.81Å
225	L	98.9	Very high	98.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	133	177.1	173.5	70.5	0	0	0	112.2	P30 A33 F34 F44 F227 R237 C240 V241 L244	P30-L225 HydrophobicContact CB-CD1 3.73Å; P30-L225 WeakPolarHBondContact O-CD1 3.46Å; A33-L225 HydrophobicContact CB-CD2 3.59Å; F34-L225 HydrophobicContact CB-CD1 4.19Å; F44-L225 HydrophobicContact CZ-CD2 4.28Å; F44-L225 HydrophobicContact CZ-CG 4.35Å; L225-F227 VanDerWaalsContact C-N 3.27Å; L225-F227 WeakPolarHBondContact O-CD2 3.28Å; L225-F227 PolarHBondContact O-N 2.86Å; L225-R237 HydrophobicContact CD1-CB 4.07Å; L225-C240 PolarHBondContact N-O 2.86Å; L225-V241 HydrophobicContact CB-CG2 4.49Å; L225-V241 HydrophobicContact CD2-CB 4.46Å; L225-V241 HydrophobicContact CD2-CG1 4.13Å; L225-V241 HydrophobicContact CD2-CG2 4.05Å; L225-L244 HydrophobicContact CB-CB 4Å; L225-L244 HydrophobicContact CB-CD2 3.91Å; L225-L244 HydrophobicContact CD2-CD2 4.07Å; L225-L244 HydrophobicContact CG-CD2 4.2Å; L225-L244 WeakPolarHBondContact O-CD2 3.47Å
226	G	98.6	Very high	98	Very high	2 Å²	2	33.9 Å²	33.9	2%	0.021	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	-13.8	167.5	0	0	0	0	0	115.9	P224 D229 R237	P224-G226 PolarHBondContact O-N 2.92Å; G226-D229 WeakPolarHBondContact CA-OD1 3.42Å; G226-D229 PolarHBondContact N-OD1 3.48Å; G226-D229 PolarHBondContact N-OD2 3.17Å; G226-R237 PolarHBondContact O-NH1 2.96Å
227	F	98.8	Very high	98	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-106	107	176.8	-67.3	-92.2	0	0	0	109.5	F44 V49 P224 L225 D229 L244 M268 D270 Y275	F44-F227 HydrophobicContact CD1-CE2 4.2Å; F44-F227 HydrophobicContact CE1-CE2 4.09Å; V49-F227 HydrophobicContact CG1-CE1 3.93Å; V49-F227 HydrophobicContact CG1-CZ 4.34Å; V49-F227 HydrophobicContact CG2-CE1 4.38Å; V49-F227 HydrophobicContact CG2-CZ 4.13Å; P224-F227 HydrophobicContact CG-CB 4.25Å; L225-F227 VanDerWaalsContact C-N 3.27Å; L225-F227 WeakPolarHBondContact O-CD2 3.28Å; L225-F227 PolarHBondContact O-N 2.86Å; F227-D229 PolarHBondContact O-N 2.85Å; F227-D229 VanDerWaalsContact O-N 3.13Å; F227-L244 HydrophobicContact CD2-CD1 3.79Å; F227-L244 HydrophobicContact CE2-CD1 3.54Å; F227-M268 HydrophobicContact CD1-CB 3.88Å; F227-M268 HydrophobicContact CD1-CE 4.04Å; F227-M268 HydrophobicContact CD1-SD 4.29Å; F227-M268 HydrophobicContact CE1-CB 4.49Å; F227-M268 HydrophobicContact CE1-CE 4.36Å; F227-D270 HydrophobicContact CE1-CB 4.04Å; F227-D270 HydrophobicContact CZ-CB 3.83Å; F227-Y275 HydrophobicContact CB-CD1 4.05Å; F227-Y275 HydrophobicContact CB-CG 3.99Å; F227-Y275 HydrophobicContact CD1-CD1 4.21Å; F227-Y275 AromaticContact CD1-CD2 3.29Å; F227-Y275 HydrophobicContact CD1-CD2 3.29Å; F227-Y275 HydrophobicContact CD1-CE1 4.47Å; F227-Y275 AromaticContact CD1-CE2 3.64Å; F227-Y275 HydrophobicContact CD1-CE2 3.64Å; F227-Y275 AromaticContact CD1-CG 3.61Å; F227-Y275 HydrophobicContact CD1-CG 3.61Å; F227-Y275 HydrophobicContact CD2-CD1 4.4Å; F227-Y275 HydrophobicContact CD2-CE1 4.16Å; F227-Y275 HydrophobicContact CD2-CE2 4.36Å; F227-Y275 AromaticContact CE1-CD2 3.5Å; F227-Y275 HydrophobicContact CE1-CD2 3.5Å; F227-Y275 AromaticContact CE1-CE2 3.41Å; F227-Y275 HydrophobicContact CE1-CE2 3.41Å; F227-Y275 VanDerWaalsContact CE1-CE2 3.41Å; F227-Y275 HydrophobicContact CE1-CG 4.27Å; F227-Y275 HydrophobicContact CE2-CE2 4.19Å; F227-Y275 AromaticContact CG-CD1 3.95Å; F227-Y275 HydrophobicContact CG-CD1 3.95Å; F227-Y275 AromaticContact CG-CD2 3.89Å; F227-Y275 HydrophobicContact CG-CD2 3.89Å; F227-Y275 HydrophobicContact CG-CE1 4.16Å; F227-Y275 HydrophobicContact CG-CE2 4.11Å; F227-Y275 AromaticContact CG-CG 3.8Å; F227-Y275 HydrophobicContact CG-CG 3.8Å; F227-Y275 HydrophobicContact CZ-CD2 4.26Å; F227-Y275 AromaticContact CZ-CE2 3.73Å; F227-Y275 HydrophobicContact CZ-CE2 3.73Å
228	L	98.7	Very high	98	Very high	16 Å²	16	35.4 Å²	35.4	8%	0.084	17%	0.168	C	C	.	.	S	Bend	trans	55.2	33	173.5	-55.9	174.1	0	0	0	114.2	M51 F258 G264 G266 M268 N277	M51-L228 HydrophobicContact CE-CD2 4.12Å; M51-L228 HydrophobicContact SD-CD2 4.25Å; L228-F258 HydrophobicContact CB-CE2 4.05Å; L228-F258 HydrophobicContact CB-CZ 4.3Å; L228-F258 HydrophobicContact CD1-CZ 4.39Å; L228-G264 WeakPolarHBondContact CB-O 3.48Å; L228-G264 WeakPolarHBondContact CD2-O 3.26Å; L228-G266 WeakPolarHBondContact CD1-O 3.29Å; L228-M268 HydrophobicContact CD1-CG 4.49Å; L228-M268 HydrophobicContact CD2-CG 3.74Å; L228-M268 HydrophobicContact CD2-SD 3.68Å; L228-M268 HydrophobicContact CG-CB 4.49Å; L228-M268 HydrophobicContact CG-CG 3.97Å; L228-M268 HydrophobicContact CG-SD 3.84Å; L228-N277 HydrophobicContact CB-CB 3.75Å; L228-N277 HydrophobicContact CD1-CB 3.55Å; L228-N277 HydrophobicContact CG-CB 4.26Å; L228-N277 PolarHBondContact O-ND2 3.41Å
229	D	98.6	Very high	98	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.169	C	C	.	.			trans	-120.5	15.9	-172.6	76.9	-38.8	0	0	0	113.8	P223 G226 F227 R237 V238 G239	P223-D229 HydrophobicContact CB-CB 3.86Å; P223-D229 HydrophobicContact CG-CB 3.55Å; G226-D229 WeakPolarHBondContact CA-OD1 3.42Å; G226-D229 PolarHBondContact N-OD1 3.48Å; G226-D229 PolarHBondContact N-OD2 3.17Å; F227-D229 PolarHBondContact O-N 2.85Å; F227-D229 VanDerWaalsContact O-N 3.13Å; D229-R237 WeakPolarHBondContact OD1-CD 3.37Å; D229-R237 IonicContact OD1-CZ 3.71Å; D229-R237 IonicContact OD1-NE 3.9Å; D229-R237 IonicContact OD1-NH1 2.81Å; D229-R237 PolarHBondContact OD1-NH1 3.08Å; D229-V238 WeakPolarHBondContact O-CG2 3.46Å; D229-V238 PolarHBondContact O-N 3.23Å; D229-V238 PolarHBondContact OD2-N 3.36Å; D229-G239 WeakPolarHBondContact OD2-CA 3.48Å; D229-G239 PolarHBondContact OD2-N 3.48Å
230	W	98.5	Very high	98	Very high	102 Å²	102	35.5 Å²	35.5	39%	0.386	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	128.5	177.7	178.9	-106.8	0	0	0	110.3	P232 M235 Q236 R237	W230-P232 WeakPolarHBondContact O-CD 3.32Å; W230-M235 HydrophobicContact CH2-CB 4.2Å; W230-M235 VanDerWaalsContact CH2-O 3.24Å; W230-M235 WeakPolarHBondContact CH2-O 3.46Å; W230-M235 HydrophobicContact CZ2-CB 4.21Å; W230-Q236 VanDerWaalsContact CE3-C 3.43Å; W230-R237 HydrophobicContact CE3-CG 4.07Å; W230-R237 HydrophobicContact CZ3-CG 4.42Å
231	V	97.9	Very high	98	Very high	13 Å²	13	35.5 Å²	35.5	8%	0.079	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	100.7	175.9	-179	0	0	0	0	108.9	K233 K234 M235 Q236 V238 I261	V231-K233 VanDerWaalsContact C-N 3.34Å; V231-K233 PolarHBondContact O-N 3.33Å; V231-K234 HydrophobicContact CB-CB 4.38Å; V231-K234 HydrophobicContact CG1-CB 4.05Å; V231-K234 HydrophobicContact CG1-CD 4.22Å; V231-K234 HydrophobicContact CG1-CG 4Å; V231-K234 PolarHBondContact O-N 2.85Å; V231-K234 VanDerWaalsContact O-N 3.1Å; V231-M235 PolarHBondContact O-N 2.8Å; V231-Q236 PolarHBondContact N-O 3.23Å; V231-V238 HydrophobicContact CG2-CB 4.45Å; V231-V238 HydrophobicContact CG2-CG1 3.82Å; V231-V238 HydrophobicContact CG2-CG2 3.72Å; V231-I261 HydrophobicContact CG2-CD1 4.4Å; V231-I261 HydrophobicContact CG2-CG2 3.93Å
232	P	96.6	Very high	98	Very high	68 Å²	68	35.5 Å²	35.5	44%	0.442	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-56.6	-42.7	-174.5	-25.8	33.9	0	0	0	113.6	W230 K234 M235 E263	W230-P232 WeakPolarHBondContact O-CD 3.32Å; P232-K234 PolarHBondContact O-N 3.07Å; P232-M235 PolarHBondContact O-N 2.91Å; P232-M235 VanDerWaalsContact O-N 3.11Å; P232-E263 HydrophobicContact CG-CB 4.38Å; P232-E263 HydrophobicContact CG-CG 4.31Å
233	K	94.5	Very high	98	Very high	167 Å²	167	35.4 Å²	35.4	73%	0.726	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-61.7	-26.8	-178.9	-69.6	-178.2	-179.7	171.8	0	113.4	V231	V231-K233 VanDerWaalsContact C-N 3.34Å; V231-K233 PolarHBondContact O-N 3.33Å
234	K	93.3	Very high	98	Very high	82 Å²	82	35.1 Å²	35.1	36%	0.357	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-103.3	-6.8	179.7	-64.6	-174.6	-177.9	179.7	0	112.6	Y192 V231 P232 Q236	Y192-K234 PolarHBondContact OH-NZ 3.45Å; Y192-K234 VanDerWaalsContact OH-NZ 3.14Å; V231-K234 HydrophobicContact CB-CB 4.38Å; V231-K234 HydrophobicContact CG1-CB 4.05Å; V231-K234 HydrophobicContact CG1-CD 4.22Å; V231-K234 HydrophobicContact CG1-CG 4Å; V231-K234 PolarHBondContact O-N 2.85Å; V231-K234 VanDerWaalsContact O-N 3.1Å; P232-K234 PolarHBondContact O-N 3.07Å; K234-Q236 HydrophobicContact CB-CG 3.63Å; K234-Q236 VanDerWaalsContact CD-NE2 3.33Å; K234-Q236 PolarHBondContact O-N 3.11Å
235	M	97	Very high	98	Very high	146 Å²	146	35.2 Å²	35.2	72%	0.719	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.1	44.1	-173.1	-61.1	-174.7	-69.9	0	0	112.7	W230 V231 P232	W230-M235 HydrophobicContact CH2-CB 4.2Å; W230-M235 VanDerWaalsContact CH2-O 3.24Å; W230-M235 WeakPolarHBondContact CH2-O 3.46Å; W230-M235 HydrophobicContact CZ2-CB 4.21Å; V231-M235 PolarHBondContact O-N 2.8Å; P232-M235 PolarHBondContact O-N 2.91Å; P232-M235 VanDerWaalsContact O-N 3.11Å
236	Q	97.7	Very high	98	Very high	71 Å²	71	35.2 Å²	35.2	33%	0.332	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	156.2	-175.2	76	-175.1	13	0	0	112.5	T31 W230 V231 K234 V238	T31-Q236 WeakPolarHBondContact OG1-CA 3.43Å; T31-Q236 WeakPolarHBondContact OG1-CB 3.46Å; W230-Q236 VanDerWaalsContact CE3-C 3.43Å; V231-Q236 PolarHBondContact N-O 3.23Å; K234-Q236 HydrophobicContact CB-CG 3.63Å; K234-Q236 VanDerWaalsContact CD-NE2 3.33Å; K234-Q236 PolarHBondContact O-N 3.11Å; Q236-V238 HydrophobicContact CG-CG1 3.86Å
237	R	98.4	Very high	98	Very high	43 Å²	43	35.1 Å²	35.1	16%	0.162	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	145.2	164.6	-65	-73.1	177.3	175.7	1.8	109.3	P30 T31 F34 L225 G226 D229 W230	P30-R237 HydrophobicContact CB-CB 4.21Å; P30-R237 WeakPolarHBondContact CG-O 3.31Å; T31-R237 PolarHBondContact OG1-N 3.04Å; F34-R237 HydrophobicContact CB-CG 4.03Å; F34-R237 HydrophobicContact CD2-CG 4.43Å; F34-R237 HydrophobicContact CG-CG 4.16Å; L225-R237 HydrophobicContact CD1-CB 4.07Å; G226-R237 PolarHBondContact O-NH1 2.96Å; D229-R237 WeakPolarHBondContact OD1-CD 3.37Å; D229-R237 IonicContact OD1-CZ 3.71Å; D229-R237 IonicContact OD1-NE 3.9Å; D229-R237 IonicContact OD1-NH1 2.81Å; D229-R237 PolarHBondContact OD1-NH1 3.08Å; W230-R237 HydrophobicContact CE3-CG 4.07Å; W230-R237 HydrophobicContact CZ3-CG 4.42Å
238	V	98.4	Very high	98	Very high	25 Å²	25	36.8 Å²	36.8	15%	0.152	17%	0.173	C	C	.	.			trans	-129.9	-2.9	179.6	-58.7	0	0	0	0	113.8	R200 D229 V231 Q236 I261	R200-V238 PolarHBondContact NH2-O 2.81Å; D229-V238 WeakPolarHBondContact O-CG2 3.46Å; D229-V238 PolarHBondContact O-N 3.23Å; D229-V238 PolarHBondContact OD2-N 3.36Å; V231-V238 HydrophobicContact CG2-CB 4.45Å; V231-V238 HydrophobicContact CG2-CG1 3.82Å; V231-V238 HydrophobicContact CG2-CG2 3.72Å; Q236-V238 HydrophobicContact CG-CG1 3.86Å; V238-I261 HydrophobicContact CG2-CD1 3.42Å; V238-I261 VanDerWaalsContact CG2-CD1 3.42Å; V238-I261 HydrophobicContact CG2-CG1 3.69Å
239	G	98.7	Very high	97.9	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.01	19%	0.187	C	C	.	.	S	Bend	trans	-63.2	159.8	178.5	0	0	0	0	0	112.9	R200 P223 D229	R200-G239 PolarHBondContact NH1-O 2.91Å; P223-G239 CarbonylContact O-C 3.6Å; P223-G239 WeakPolarHBondContact O-CA 3.27Å; D229-G239 WeakPolarHBondContact OD2-CA 3.48Å; D229-G239 PolarHBondContact OD2-N 3.48Å
240	C	98.9	Very high	97.9	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.007	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-80.9	126.6	179.4	179.7	0	0	0	0	111.2	P189 W208 P223 L225 L243 L244	P189-C240 HydrophobicContact CG-CB 3.77Å; W208-C240 PolarHBondContact NE1-SG 3.04Å; P223-C240 PolarHBondContact O-N 3.29Å; L225-C240 PolarHBondContact N-O 2.86Å; C240-L243 HydrophobicContact CB-CB 3.63Å; C240-L243 HydrophobicContact CB-CD2 4.48Å; C240-L243 PolarHBondContact SG-N 3.45Å; C240-L243 VanDerWaalsContact SG-N 3.39Å; C240-L244 PolarHBondContact O-N 3.42Å; C240-L244 VanDerWaalsContact O-N 3.16Å
241	V	98.9	Very high	97.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-70.3	-44.9	-179.7	-169.4	0	0	0	0	110.8	D24 A33 Y37 L225 L243 L244 N245	D24-V241 HydrophobicContact CB-CB 4.3Å; D24-V241 HydrophobicContact CB-CG1 3.5Å; D24-V241 VanDerWaalsContact CB-CG1 3.5Å; D24-V241 VanDerWaalsContact CG-CG1 3.48Å; A33-V241 HydrophobicContact CB-CG1 4.27Å; A33-V241 HydrophobicContact CB-CG2 4Å; Y37-V241 HydrophobicContact CE2-CG1 4.5Å; L225-V241 HydrophobicContact CB-CG2 4.49Å; L225-V241 HydrophobicContact CD2-CB 4.46Å; L225-V241 HydrophobicContact CD2-CG1 4.13Å; L225-V241 HydrophobicContact CD2-CG2 4.05Å; V241-L243 VanDerWaalsContact C-N 3.29Å; V241-L243 PolarHBondContact O-N 3.4Å; V241-L244 PolarHBondContact O-N 2.95Å; V241-N245 PolarHBondContact O-N 2.97Å
242	E	98.9	Very high	97.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.6	-35.4	177.8	-73.3	58.2	-122.7	0	0	111.9	D24 S27 G201 L205 N245 T246	D24-E242 WeakPolarHBondContact CB-OE1 3.42Å; D24-E242 PolarHBondContact N-OE1 2.86Å; S27-E242 WeakPolarHBondContact CB-OE1 3.34Å; S27-E242 PolarHBondContact OG-OE1 3.18Å; S27-E242 PolarHBondContact OG-OE2 3.3Å; G201-E242 PolarHBondContact N-OE2 2.9Å; L205-E242 HydrophobicContact CB-CB 4.24Å; L205-E242 HydrophobicContact CB-CG 3.9Å; L205-E242 HydrophobicContact CD1-CB 4.22Å; L205-E242 HydrophobicContact CD1-CG 4.3Å; L205-E242 HydrophobicContact CG-CG 4.47Å; E242-N245 PolarHBondContact O-N 2.84Å; E242-T246 VanDerWaalsContact O-CB 3.31Å; E242-T246 WeakPolarHBondContact O-CB 3.47Å; E242-T246 PolarHBondContact O-N 3.11Å; E242-T246 PolarHBondContact O-OG1 3.2Å
243	L	98.9	Very high	98	Very high	1 Å²	1	39 Å²	39	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-65.5	-47	175	-175.3	57.6	0	0	0	110.6	W208 L218 T220 P224 C240 V241 N245 T246 V247	W208-L243 HydrophobicContact CD2-CB 4.47Å; W208-L243 HydrophobicContact CD2-CD1 3.83Å; W208-L243 HydrophobicContact CE3-CD1 4.01Å; W208-L243 HydrophobicContact CG-CD1 4.25Å; W208-L243 HydrophobicContact CH2-CD1 4.43Å; W208-L243 HydrophobicContact CH2-CD2 4.43Å; W208-L243 HydrophobicContact CZ2-CB 4.31Å; W208-L243 HydrophobicContact CZ2-CD1 4.29Å; W208-L243 HydrophobicContact CZ2-CD2 4.17Å; W208-L243 HydrophobicContact CZ2-CG 4.49Å; W208-L243 HydrophobicContact CZ3-CD1 4.32Å; L218-L243 HydrophobicContact CD2-CD1 4.21Å; T220-L243 HydrophobicContact CG2-CD1 4.13Å; T220-L243 HydrophobicContact CG2-CD2 4.09Å; P224-L243 HydrophobicContact CB-CB 4.41Å; P224-L243 HydrophobicContact CB-CD2 4.24Å; P224-L243 HydrophobicContact CB-CG 4.07Å; C240-L243 HydrophobicContact CB-CB 3.63Å; C240-L243 HydrophobicContact CB-CD2 4.48Å; C240-L243 PolarHBondContact SG-N 3.45Å; C240-L243 VanDerWaalsContact SG-N 3.39Å; V241-L243 VanDerWaalsContact C-N 3.29Å; V241-L243 PolarHBondContact O-N 3.4Å; L243-N245 VanDerWaalsContact C-N 3.34Å; L243-N245 PolarHBondContact O-N 2.94Å; L243-T246 PolarHBondContact O-N 3.42Å; L243-V247 HydrophobicContact CD1-CG2 4.12Å; L243-V247 HydrophobicContact CG-CG2 4.37Å; L243-V247 WeakPolarHBondContact O-CB 3.45Å; L243-V247 VanDerWaalsContact O-CG2 3.26Å; L243-V247 WeakPolarHBondContact O-CG2 3.25Å; L243-V247 PolarHBondContact O-N 3.18Å
244	L	98.9	Very high	98.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58	-46.8	176	176.4	68.1	0	0	0	111.5	F44 P224 L225 F227 C240 V241 T246 V247 Q248	F44-L244 HydrophobicContact CE1-CD2 3.78Å; F44-L244 HydrophobicContact CZ-CD2 3.67Å; P224-L244 HydrophobicContact CB-CB 4.02Å; P224-L244 HydrophobicContact CB-CD1 4.38Å; L225-L244 HydrophobicContact CB-CB 4Å; L225-L244 HydrophobicContact CB-CD2 3.91Å; L225-L244 HydrophobicContact CD2-CD2 4.07Å; L225-L244 HydrophobicContact CG-CD2 4.2Å; L225-L244 WeakPolarHBondContact O-CD2 3.47Å; F227-L244 HydrophobicContact CD2-CD1 3.79Å; F227-L244 HydrophobicContact CE2-CD1 3.54Å; C240-L244 PolarHBondContact O-N 3.42Å; C240-L244 VanDerWaalsContact O-N 3.16Å; V241-L244 PolarHBondContact O-N 2.95Å; L244-T246 VanDerWaalsContact C-N 3.32Å; L244-T246 PolarHBondContact O-N 3.34Å; L244-V247 PolarHBondContact O-N 2.97Å; L244-Q248 HydrophobicContact CD1-CG 3.92Å; L244-Q248 PolarHBondContact O-N 3.39Å
245	N	98.7	Very high	98.4	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-62.6	-41.4	179.1	-73.7	-22.3	0	0	0	111.2	I21 D24 R43 V241 E242 L243 R249	I21-N245 HydrophobicContact CG2-CB 3.93Å; D24-N245 PolarHBondContact OD2-ND2 2.75Å; R43-N245 PolarHBondContact NH1-OD1 3.2Å; R43-N245 PolarHBondContact NH2-OD1 3.34Å; V241-N245 PolarHBondContact O-N 2.97Å; E242-N245 PolarHBondContact O-N 2.84Å; L243-N245 VanDerWaalsContact C-N 3.34Å; L243-N245 PolarHBondContact O-N 2.94Å; N245-R249 WeakPolarHBondContact O-CB 3.23Å; N245-R249 WeakPolarHBondContact O-CG 3.43Å; N245-R249 PolarHBondContact O-N 3.48Å
246	T	98.8	Very high	98.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.9	-48.6	174.7	-61.7	0	0	0	0	112.3	W208 I211 E242 L243 L244 R250 I251	W208-T246 HydrophobicContact CB-CG2 4.18Å; I211-T246 HydrophobicContact CD1-CG2 4.15Å; E242-T246 VanDerWaalsContact O-CB 3.31Å; E242-T246 WeakPolarHBondContact O-CB 3.47Å; E242-T246 PolarHBondContact O-N 3.11Å; E242-T246 PolarHBondContact O-OG1 3.2Å; L243-T246 PolarHBondContact O-N 3.42Å; L244-T246 VanDerWaalsContact C-N 3.32Å; L244-T246 PolarHBondContact O-N 3.34Å; T246-R250 WeakPolarHBondContact O-CB 3.42Å; T246-R250 PolarHBondContact O-N 3.34Å; T246-R250 VanDerWaalsContact O-N 3.07Å; T246-I251 HydrophobicContact CG2-CG1 3.72Å; T246-I251 PolarHBondContact O-N 3.38Å
247	V	98.7	Very high	98.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.087	C	C	.	.	I	π-helix	trans	-62.2	-53.1	-179.3	171.8	0	0	0	0	110.7	L218 L243 L244 Q252 P253 T273 Y275	L218-V247 HydrophobicContact CD2-CG2 3.64Å; L243-V247 HydrophobicContact CD1-CG2 4.12Å; L243-V247 HydrophobicContact CG-CG2 4.37Å; L243-V247 WeakPolarHBondContact O-CB 3.45Å; L243-V247 VanDerWaalsContact O-CG2 3.26Å; L243-V247 WeakPolarHBondContact O-CG2 3.25Å; L243-V247 PolarHBondContact O-N 3.18Å; L244-V247 PolarHBondContact O-N 2.97Å; V247-Q252 VanDerWaalsContact O-CA 3.23Å; V247-Q252 WeakPolarHBondContact O-CA 3.34Å; V247-Q252 PolarHBondContact O-N 3.28Å; V247-P253 HydrophobicContact CG1-CG 4.15Å; V247-T273 HydrophobicContact CG1-CG2 4.19Å; V247-Y275 HydrophobicContact CG1-CE1 3.84Å; V247-Y275 WeakPolarHBondContact CG1-OH 3.27Å
248	Q	98.3	Very high	98.6	Very high	35 Å²	35	18.4 Å²	18.4	16%	0.164	8%	0.079	C	C	.	.	I	π-helix	trans	-79.2	-30.6	-172.3	-69.9	-170.8	-39.6	0	0	114.5	R43 L244 Q252 D270 Y275	R43-Q248 VanDerWaalsContact CZ-OE1 3.26Å; L244-Q248 HydrophobicContact CD1-CG 3.92Å; L244-Q248 PolarHBondContact O-N 3.39Å; Q248-Q252 WeakPolarHBondContact O-CG 3.3Å; Q248-Q252 PolarHBondContact O-NE2 3.39Å; Q248-D270 PolarHBondContact NE2-OD2 2.97Å; Q248-Y275 WeakPolarHBondContact CG-OH 3.31Å
249	R	97.7	Very high	98.6	Very high	101 Å²	101	17.2 Å²	17.2	38%	0.381	7%	0.072	S	C	.	.	I	π-helix	trans	-101.1	-22.4	-172.9	-55	-179.4	-178.7	166.9	5	113.7	L19 I21 Y37 N245	L19-R249 HydrophobicContact CD2-CB 3.97Å; I21-R249 HydrophobicContact CD1-CB 3.86Å; Y37-R249 PolarHBondContact OH-NH2 3.41Å; N245-R249 WeakPolarHBondContact O-CB 3.23Å; N245-R249 WeakPolarHBondContact O-CG 3.43Å; N245-R249 PolarHBondContact O-N 3.48Å
250	R	97.9	Very high	98.6	Very high	29 Å²	29	18.3 Å²	18.3	11%	0.109	8%	0.077	C	C	.	.	I	π-helix	trans	-122.2	-56.4	-173.8	-169	175.9	68.6	83.5	-5.9	113.4	L19 I21 W208 I211 D213 T246	L19-R250 VanDerWaalsContact O-CD 3.29Å; L19-R250 WeakPolarHBondContact O-CD 3.47Å; I21-R250 HydrophobicContact CD1-CB 4.32Å; I21-R250 HydrophobicContact CG1-CB 4.29Å; W208-R250 PolarHBondContact O-NH2 2.92Å; I211-R250 PolarHBondContact O-NH1 3.43Å; I211-R250 PolarHBondContact O-NH2 2.84Å; D213-R250 IonicContact OD1-CZ 3.6Å; D213-R250 IonicContact OD1-NH1 3.1Å; D213-R250 PolarHBondContact OD1-NH1 3.14Å; T246-R250 WeakPolarHBondContact O-CB 3.42Å; T246-R250 PolarHBondContact O-N 3.34Å; T246-R250 VanDerWaalsContact O-N 3.07Å
251	I	98.3	Very high	98.6	Very high	10 Å²	10	18.7 Å²	18.7	5%	0.051	8%	0.079	C	C	.	.	I	π-helix	trans	-83.6	-46.1	-170	-57.8	-55	0	0	0	112.1	I211 P212 I215 T246 P253	I211-I251 HydrophobicContact CB-CD1 4.12Å; I211-I251 HydrophobicContact CB-CG1 4.32Å; I211-I251 HydrophobicContact CG2-CD1 3.72Å; I211-I251 HydrophobicContact CG2-CG1 3.85Å; I211-I251 HydrophobicContact CG2-CG2 4.25Å; P212-I251 VanDerWaalsContact O-CD1 3.27Å; P212-I251 WeakPolarHBondContact O-CD1 3.4Å; I215-I251 HydrophobicContact CB-CG2 4.05Å; T246-I251 HydrophobicContact CG2-CG1 3.72Å; T246-I251 PolarHBondContact O-N 3.38Å; I251-P253 HydrophobicContact CG2-CB 4.18Å; I251-P253 HydrophobicContact CG2-CG 4.18Å
252	Q	98.3	Very high	98.6	Very high	107 Å²	107	19.5 Å²	19.5	50%	0.5	8%	0.083	S	C	.	.			trans	47.1	52.4	-178	-60.5	-177.6	-40.5	0	0	112.7	V247 Q248 T272	V247-Q252 VanDerWaalsContact O-CA 3.23Å; V247-Q252 WeakPolarHBondContact O-CA 3.34Å; V247-Q252 PolarHBondContact O-N 3.28Å; Q248-Q252 WeakPolarHBondContact O-CG 3.3Å; Q248-Q252 PolarHBondContact O-NE2 3.39Å; Q252-T272 HydrophobicContact CB-CG2 4.02Å
253	P	98.6	Very high	98.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.1	C	C	.	.			trans	-65.8	153.6	-179.7	33.1	-32.9	0	0	0	109.5	I215 L218 V247 I251 L255 T273	I215-P253 WeakPolarHBondContact O-CA 3.43Å; L218-P253 HydrophobicContact CB-CB 4.28Å; L218-P253 HydrophobicContact CB-CG 4.05Å; V247-P253 HydrophobicContact CG1-CG 4.15Å; I251-P253 HydrophobicContact CG2-CB 4.18Å; I251-P253 HydrophobicContact CG2-CG 4.18Å; P253-L255 VanDerWaalsContact C-N 3.27Å; P253-L255 PolarHBondContact O-N 3.42Å; P253-T273 HydrophobicContact CG-CG2 4.11Å; P253-T273 WeakPolarHBondContact O-CA 3.45Å; P253-T273 VanDerWaalsContact O-CB 3.25Å; P253-T273 WeakPolarHBondContact O-CB 3.33Å; P253-T273 WeakPolarHBondContact O-CG2 3.28Å; P253-T273 PolarHBondContact O-OG1 2.78Å
254	R	98.6	Very high	98.5	Very high	75 Å²	75	23.6 Å²	23.6	28%	0.283	10%	0.104	S	C	.	.	S	Bend	trans	-68.9	-33.3	176.3	-61	170.8	65.6	-170	0.8	110.9	D216 T274 P297	D216-R254 PolarHBondContact O-N 3.32Å; R254-T274 PolarHBondContact O-N 3.23Å; R254-P297 PolarHBondContact NH1-O 3.01Å; R254-P297 VanDerWaalsContact NH1-O 3.12Å; R254-P297 VanDerWaalsContact NH2-CG 3.31Å; R254-P297 PolarHBondContact NH2-O 2.97Å
255	L	98.9	Very high	98.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	134.2	-179.4	178.1	62.9	0	0	0	110.5	D216 I217 L218 P253 V257 T274 V276 I294 L296	D216-L255 PolarHBondContact O-N 3.44Å; I217-L255 CarbonylContact C-O 3.55Å; I217-L255 VanDerWaalsContact CA-O 3.3Å; I217-L255 WeakPolarHBondContact CA-O 3.18Å; I217-L255 HydrophobicContact CD1-CD2 4.37Å; I217-L255 HydrophobicContact CG1-CB 4.23Å; I217-L255 HydrophobicContact CG2-CB 4.21Å; I217-L255 HydrophobicContact CG2-CD2 4.07Å; I217-L255 HydrophobicContact CG2-CG 4.16Å; L218-L255 PolarHBondContact N-O 2.79Å; P253-L255 VanDerWaalsContact C-N 3.27Å; P253-L255 PolarHBondContact O-N 3.42Å; L255-V257 HydrophobicContact CD1-CG2 3.89Å; L255-V257 HydrophobicContact CD2-CG2 3.72Å; L255-V257 HydrophobicContact CG-CG2 3.6Å; L255-T274 CarbonylContact C-O 3.55Å; L255-T274 WeakPolarHBondContact CA-O 3.45Å; L255-T274 HydrophobicContact CD1-CG2 4.28Å; L255-V276 HydrophobicContact CD1-CB 4.47Å; L255-V276 HydrophobicContact CD1-CG2 3.6Å; L255-I294 HydrophobicContact CD1-CG1 4.4Å; L255-I294 HydrophobicContact CD1-CG2 4.41Å; L255-I294 HydrophobicContact CD2-CG2 4.39Å; L255-L296 HydrophobicContact CB-CD1 4.08Å; L255-L296 HydrophobicContact CD2-CD1 4.27Å
256	H	98.9	Very high	98.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	109.4	169.9	-175.1	-173.7	0	0	0	108.8	L218 T220 F258 T273 T274 Y275 V276	L218-H256 CarbonylContact O-C 3.5Å; L218-H256 VanDerWaalsContact O-CA 3.28Å; L218-H256 WeakPolarHBondContact O-CA 3.44Å; L218-H256 PolarHBondContact O-CD2 2.9Å; T220-H256 PolarHBondContact OG1-NE2 3.16Å; H256-F258 AromaticContact CD2-CD1 3.8Å; H256-F258 AromaticContact NE2-CD1 3.81Å; H256-T273 HydrophobicContact CB-CG2 3.9Å; H256-T274 PolarHBondContact N-O 3.09Å; H256-Y275 HydrophobicContact CB-CD1 4.02Å; H256-Y275 HydrophobicContact CB-CE1 4.39Å; H256-Y275 AromaticContact ND1-CD1 3.88Å; H256-Y275 AromaticContact ND1-CE1 3.95Å; H256-Y275 CarbonylContact O-C 2.94Å; H256-Y275 WeakPolarHBondContact O-CA 3.2Å; H256-V276 PolarHBondContact O-N 3.14Å
257	V	99	Very high	98.5	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	134.5	179.9	-171.7	0	0	0	0	110.3	C70 I90 A92 L218 I219 T220 L255 V276 A278	C70-V257 HydrophobicContact CB-CG1 3.92Å; I90-V257 HydrophobicContact CD1-CG2 4.27Å; I90-V257 HydrophobicContact CG2-CB 4.13Å; I90-V257 HydrophobicContact CG2-CG1 3.96Å; I90-V257 HydrophobicContact CG2-CG2 4.44Å; A92-V257 HydrophobicContact CB-CG1 4.22Å; L218-V257 PolarHBondContact O-N 3.16Å; I219-V257 WeakPolarHBondContact CA-O 3.31Å; T220-V257 PolarHBondContact N-O 3.03Å; L255-V257 HydrophobicContact CD1-CG2 3.89Å; L255-V257 HydrophobicContact CD2-CG2 3.72Å; L255-V257 HydrophobicContact CG-CG2 3.6Å; V257-V276 WeakPolarHBondContact CA-O 3.28Å; V257-V276 HydrophobicContact CG1-CB 4.41Å; V257-V276 HydrophobicContact CG1-CG1 4.44Å; V257-V276 HydrophobicContact CG2-CB 4.32Å; V257-A278 HydrophobicContact CG1-CB 4.08Å
258	F	98.9	Very high	98.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	-177.3	178	51	-95.5	0	0	0	111.4	T220 P223 P224 L228 H256 Y275 V276 N277 A278	T220-F258 WeakPolarHBondContact O-CA 3.21Å; T220-F258 WeakPolarHBondContact O-CB 3.33Å; P223-F258 HydrophobicContact CB-CD2 3.6Å; P223-F258 HydrophobicContact CB-CE2 3.45Å; P223-F258 VanDerWaalsContact CB-CE2 3.45Å; P223-F258 HydrophobicContact CB-CG 4.3Å; P223-F258 HydrophobicContact CB-CZ 4.07Å; P224-F258 HydrophobicContact CG-CE1 4.25Å; L228-F258 HydrophobicContact CB-CE2 4.05Å; L228-F258 HydrophobicContact CB-CZ 4.3Å; L228-F258 HydrophobicContact CD1-CZ 4.39Å; H256-F258 AromaticContact CD2-CD1 3.8Å; H256-F258 AromaticContact NE2-CD1 3.81Å; F258-Y275 HydrophobicContact CE1-CD1 4.09Å; F258-V276 PolarHBondContact N-O 2.93Å; F258-V276 VanDerWaalsContact O-O 3.12Å; F258-N277 HydrophobicContact CD2-CB 4.03Å; F258-N277 HydrophobicContact CE2-CB 3.63Å; F258-N277 CarbonylContact O-C 3.57Å; F258-N277 WeakPolarHBondContact O-CA 3.42Å; F258-A278 PolarHBondContact O-N 3.44Å
259	G	98.7	Very high	98.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.125	C	C	.	.			trans	-149.7	-123.3	177	0	0	0	0	0	111	D73 H221 I261 S279	D73-G259 VanDerWaalsContact OD2-CA 3.26Å; D73-G259 WeakPolarHBondContact OD2-CA 3.12Å; H221-G259 CarbonylContact O-C 3.57Å; H221-G259 VanDerWaalsContact O-C 3.31Å; H221-G259 PolarHBondContact O-N 2.8Å; G259-I261 PolarHBondContact O-N 2.76Å; G259-S279 WeakPolarHBondContact CA-OG 3.4Å
260	H	98.4	Very high	98.5	Very high	24 Å²	24	23.5 Å²	23.5	11%	0.111	11%	0.113	C	C	.	.	S	Bend	trans	67.3	-47.7	175.8	-172.5	62.2	0	0	0	115.3	D73 N125 Q188 F191 H221 H262 S279	D73-H260 VanDerWaalsContact OD1-CA 3.29Å; D73-H260 WeakPolarHBondContact OD1-CA 3.16Å; D73-H260 PolarHBondContact OD1-N 2.82Å; D73-H260 PolarHBondContact OD2-N 3.47Å; N125-H260 PolarHBondContact OD1-CE1 2.81Å; N125-H260 PolarHBondContact OD1-ND1 3.3Å; Q188-H260 PolarHBondContact OE1-CD2 3.04Å; Q188-H260 PolarHBondContact OE1-CE1 3.32Å; Q188-H260 VanDerWaalsContact OE1-CE1 3.28Å; Q188-H260 VanDerWaalsContact OE1-CG 3.25Å; Q188-H260 PolarHBondContact OE1-ND1 2.97Å; Q188-H260 PolarHBondContact OE1-NE2 3.44Å; F191-H260 AromaticContact CD1-CE1 3.6Å; F191-H260 AromaticContact CD1-NE2 3.87Å; F191-H260 AromaticContact CE1-CE1 3.9Å; F191-H260 AromaticContact CG-NE2 3.87Å; H221-H260 AromaticContact CD2-ND1 3.9Å; H221-H260 AromaticContact NE2-CG 3.7Å; H221-H260 AromaticContact NE2-ND1 3.28Å; H221-H260 PolarHBondContact NE2-ND1 3.28Å; H260-H262 PolarHBondContact O-CD2 2.95Å; H260-H262 PolarHBondContact O-N 3.02Å; H260-S279 PolarHBondContact N-OG 3.15Å
261	I	98.4	Very high	98.4	Very high	9 Å²	9	25.6 Å²	25.6	5%	0.046	14%	0.143	C	C	.	.			trans	-94.2	87.3	-179.3	-52.9	-52.5	0	0	0	108.8	P223 V231 V238 G259 E263 G264 N277	P223-I261 HydrophobicContact CG-CG1 3.71Å; V231-I261 HydrophobicContact CG2-CD1 4.4Å; V231-I261 HydrophobicContact CG2-CG2 3.93Å; V238-I261 HydrophobicContact CG2-CD1 3.42Å; V238-I261 VanDerWaalsContact CG2-CD1 3.42Å; V238-I261 HydrophobicContact CG2-CG1 3.69Å; G259-I261 PolarHBondContact O-N 2.76Å; I261-E263 PolarHBondContact O-N 2.79Å; I261-E263 VanDerWaalsContact O-N 3.16Å; I261-G264 WeakPolarHBondContact O-CA 3.49Å; I261-G264 PolarHBondContact O-N 3.21Å; I261-N277 PolarHBondContact O-ND2 3.17Å
262	H	98.4	Very high	98.4	Very high	18 Å²	18	29.1 Å²	29.1	8%	0.083	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-59.7	-29.9	-172.8	-62.9	-172.6	0	0	0	113.3	D73 H75 H260 G264 C281 T282 V283	D73-H262 WeakPolarHBondContact CB-NE2 3.19Å; D73-H262 IonicContact OD1-NE2 3.72Å; H75-H262 AromaticContact NE2-CE1 3.5Å; H75-H262 PolarHBondContact NE2-CE1 2.82Å; H75-H262 AromaticContact NE2-NE2 3.56Å; H260-H262 PolarHBondContact O-CD2 2.95Å; H260-H262 PolarHBondContact O-N 3.02Å; H262-G264 PolarHBondContact O-N 3.47Å; H262-C281 WeakPolarHBondContact CB-O 3.34Å; H262-C281 VanDerWaalsContact CG-O 3.26Å; H262-C281 PolarHBondContact ND1-O 2.95Å; H262-T282 PolarHBondContact ND1-O 3.27Å; H262-V283 HydrophobicContact CB-CG1 4.28Å
263	E	98.3	Very high	98.4	Very high	76 Å²	76	24.1 Å²	24.1	36%	0.355	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-63.8	-21.5	174.2	-64.6	98.6	145.7	0	0	113.6	P232 I261 V283	P232-E263 HydrophobicContact CG-CB 4.38Å; P232-E263 HydrophobicContact CG-CG 4.31Å; I261-E263 PolarHBondContact O-N 2.79Å; I261-E263 VanDerWaalsContact O-N 3.16Å; E263-V283 VanDerWaalsContact CD-CG1 3.44Å; E263-V283 HydrophobicContact CG-CG1 3.42Å; E263-V283 VanDerWaalsContact CG-CG1 3.42Å
264	G	98.3	Very high	98.4	Very high	10 Å²	10	25.7 Å²	25.7	10%	0.103	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-92.8	3.8	-175.3	0	0	0	0	0	114.9	L228 I261 H262 G266 N277	L228-G264 WeakPolarHBondContact CB-O 3.48Å; L228-G264 WeakPolarHBondContact CD2-O 3.26Å; I261-G264 WeakPolarHBondContact O-CA 3.49Å; I261-G264 PolarHBondContact O-N 3.21Å; H262-G264 PolarHBondContact O-N 3.47Å; G264-G266 PolarHBondContact O-N 2.97Å; G264-N277 VanDerWaalsContact C-ND2 3.33Å; G264-N277 VanDerWaalsContact O-CB 3.23Å; G264-N277 WeakPolarHBondContact O-CB 3.26Å; G264-N277 PolarHBondContact O-ND2 3.14Å
265	Y	98.8	Very high	98.4	Very high	61 Å²	61	22.1 Å²	22.1	24%	0.239	14%	0.138	C	C	.	.			trans	-45.7	126.2	-179.9	166.9	-94	0	0	0	112	S279 N289 P290 I292	Y265-S279 WeakPolarHBondContact CD2-O 3.48Å; Y265-N289 WeakPolarHBondContact CB-ND2 3.2Å; Y265-N289 HydrophobicContact CD1-CB 4.07Å; Y265-N289 HydrophobicContact CD2-CB 3.59Å; Y265-N289 HydrophobicContact CE1-CB 4.14Å; Y265-N289 HydrophobicContact CE2-CB 3.65Å; Y265-N289 HydrophobicContact CG-CB 3.81Å; Y265-P290 WeakPolarHBondContact CE2-O 3.34Å; Y265-P290 WeakPolarHBondContact OH-CG 3.35Å; Y265-P290 PolarHBondContact OH-O 3.42Å; Y265-I292 HydrophobicContact CD2-CD1 4.05Å; Y265-I292 HydrophobicContact CE2-CD1 3.49Å; Y265-I292 VanDerWaalsContact CE2-CD1 3.49Å; Y265-I292 HydrophobicContact CE2-CG1 3.65Å; Y265-I292 WeakPolarHBondContact OH-CG1 3.48Å
266	G	98.7	Very high	98.4	Very high	10 Å²	10	22.1 Å²	22.1	10%	0.103	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.5	-165.3	-178.8	0	0	0	0	0	114.3	L228 G264 N277	L228-G266 WeakPolarHBondContact CD1-O 3.29Å; G264-G266 PolarHBondContact O-N 2.97Å; G266-N277 PolarHBondContact N-O 2.93Å; G266-N277 PolarHBondContact O-N 3.44Å
267	V	98.8	Very high	98.4	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	135.2	-178.2	-169.3	0	0	0	0	110.8	M51 V52 P54 T274 Y275 V276 I292 I294	M51-V267 WeakPolarHBondContact CE-O 3.4Å; V52-V267 HydrophobicContact CB-CB 4.28Å; V52-V267 HydrophobicContact CB-CG1 3.98Å; V52-V267 HydrophobicContact CG1-CG1 4.47Å; V52-V267 PolarHBondContact N-O 3.24Å; V52-V267 WeakPolarHBondContact O-CB 3.33Å; P54-V267 HydrophobicContact CB-CG2 4.26Å; V267-T274 HydrophobicContact CG1-CG2 3.49Å; V267-T274 VanDerWaalsContact CG1-CG2 3.49Å; V267-Y275 WeakPolarHBondContact CA-O 3.27Å; V267-V276 HydrophobicContact CG1-CG2 4.09Å; V267-V276 HydrophobicContact CG2-CG2 4.2Å; V267-I292 HydrophobicContact CG2-CD1 4.03Å; V267-I292 HydrophobicContact CG2-CG2 3.77Å; V267-I294 HydrophobicContact CG1-CD1 4.42Å; V267-I294 HydrophobicContact CG2-CD1 4.46Å
268	M	98.8	Very high	98.4	Very high	27 Å²	27	22.2 Å²	22.2	13%	0.133	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	158.8	170.1	-74.8	178.3	72.8	0	0	110.1	V49 Q50 M51 F227 L228 T274 Y275	V49-M268 HydrophobicContact CG1-CE 3.43Å; V49-M268 VanDerWaalsContact CG1-CE 3.43Å; Q50-M268 CarbonylContact O-C 3.58Å; Q50-M268 VanDerWaalsContact O-CA 3.26Å; Q50-M268 WeakPolarHBondContact O-CA 3.45Å; M51-M268 HydrophobicContact CE-CG 4.35Å; M51-M268 HydrophobicContact SD-CG 3.36Å; M51-M268 WeakPolarHBondContact SD-CG 3.32Å; M51-M268 HydrophobicContact SD-SD 3.96Å; F227-M268 HydrophobicContact CD1-CB 3.88Å; F227-M268 HydrophobicContact CD1-CE 4.04Å; F227-M268 HydrophobicContact CD1-SD 4.29Å; F227-M268 HydrophobicContact CE1-CB 4.49Å; F227-M268 HydrophobicContact CE1-CE 4.36Å; L228-M268 HydrophobicContact CD1-CG 4.49Å; L228-M268 HydrophobicContact CD2-CG 3.74Å; L228-M268 HydrophobicContact CD2-SD 3.68Å; L228-M268 HydrophobicContact CG-CB 4.49Å; L228-M268 HydrophobicContact CG-CG 3.97Å; L228-M268 HydrophobicContact CG-SD 3.84Å; M268-T274 CarbonylContact O-C 3.58Å; M268-Y275 PolarHBondContact N-O 3.44Å; M268-Y275 PolarHBondContact O-N 3.25Å
269	A	98.4	Very high	98.4	Very high	14 Å²	14	22.2 Å²	22.2	12%	0.116	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	151.1	170.4	0	0	0	0	0	110.9	V49 Q50 V52 T273	V49-A269 VanDerWaalsContact CA-O 3.32Å; V49-A269 WeakPolarHBondContact CA-O 3.5Å; Q50-A269 PolarHBondContact N-O 2.86Å; Q50-A269 VanDerWaalsContact N-O 3.09Å; Q50-A269 PolarHBondContact O-N 3.44Å; V52-A269 HydrophobicContact CG2-CB 3.74Å; A269-T273 WeakPolarHBondContact CA-O 3.18Å
270	D	97.8	Very high	98.4	Very high	23 Å²	23	22.2 Å²	22.2	12%	0.123	14%	0.139	C	C	.	.			trans	-110.4	12.8	174.7	70.3	9.6	0	0	0	113.8	H48 V49 F227 Q248 T272 T273 Y275	H48-D270 CarbonylContact O-C 3.53Å; H48-D270 WeakPolarHBondContact O-CA 3.21Å; V49-D270 HydrophobicContact CG2-CB 4.06Å; F227-D270 HydrophobicContact CE1-CB 4.04Å; F227-D270 HydrophobicContact CZ-CB 3.83Å; Q248-D270 PolarHBondContact NE2-OD2 2.97Å; D270-T272 VanDerWaalsContact C-N 3.29Å; D270-T272 PolarHBondContact O-N 3.4Å; D270-T272 PolarHBondContact OD1-N 2.98Å; D270-T273 PolarHBondContact N-O 3.17Å; D270-T273 VanDerWaalsContact N-O 3.17Å; D270-T273 PolarHBondContact OD1-N 3.43Å; D270-Y275 HydrophobicContact CB-CE2 4.07Å; D270-Y275 WeakPolarHBondContact OD2-CE2 3.26Å; D270-Y275 PolarHBondContact OD2-OH 2.9Å
271	G	95.8	Very high	98.4	Very high	73 Å²	73	21.1 Å²	21.1	75%	0.753	13%	0.134	S	C	*	.	S	Bend	trans	88	-15.2	-175.3	0	0	0	0	0	114.4
272	T	97.1	Very high	98.4	Very high	84 Å²	84	22 Å²	22	52%	0.515	14%	0.14	S	C	.	.	S	Bend	trans	-117.2	-53.9	173.5	-58.7	0	0	0	0	111.2	Q252 D270	Q252-T272 HydrophobicContact CB-CG2 4.02Å; D270-T272 VanDerWaalsContact C-N 3.29Å; D270-T272 PolarHBondContact O-N 3.4Å; D270-T272 PolarHBondContact OD1-N 2.98Å
273	T	98.8	Very high	98.2	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	15%	0.152	C	C	.	.			trans	-104.3	135.2	-177.8	-59.6	0	0	0	0	109.9	V247 P253 H256 A269 D270 Y275	V247-T273 HydrophobicContact CG1-CG2 4.19Å; P253-T273 HydrophobicContact CG-CG2 4.11Å; P253-T273 WeakPolarHBondContact O-CA 3.45Å; P253-T273 VanDerWaalsContact O-CB 3.25Å; P253-T273 WeakPolarHBondContact O-CB 3.33Å; P253-T273 WeakPolarHBondContact O-CG2 3.28Å; P253-T273 PolarHBondContact O-OG1 2.78Å; H256-T273 HydrophobicContact CB-CG2 3.9Å; A269-T273 WeakPolarHBondContact CA-O 3.18Å; D270-T273 PolarHBondContact N-O 3.17Å; D270-T273 VanDerWaalsContact N-O 3.17Å; D270-T273 PolarHBondContact OD1-N 3.43Å; T273-Y275 HydrophobicContact CG2-CD1 4.18Å; T273-Y275 HydrophobicContact CG2-CD2 4.13Å; T273-Y275 HydrophobicContact CG2-CE1 3.84Å; T273-Y275 HydrophobicContact CG2-CE2 3.76Å; T273-Y275 HydrophobicContact CG2-CG 4.33Å; T273-Y275 WeakPolarHBondContact O-CD2 3.42Å; T273-Y275 WeakPolarHBondContact O-CE2 3.48Å
274	T	98.8	Very high	98.1	Very high	34 Å²	34	25.6 Å²	25.6	21%	0.209	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	127.2	164.4	-56.3	0	0	0	0	108.7	R254 L255 H256 V267 M268 V276 I294	R254-T274 PolarHBondContact O-N 3.23Å; L255-T274 CarbonylContact C-O 3.55Å; L255-T274 WeakPolarHBondContact CA-O 3.45Å; L255-T274 HydrophobicContact CD1-CG2 4.28Å; H256-T274 PolarHBondContact N-O 3.09Å; V267-T274 HydrophobicContact CG1-CG2 3.49Å; V267-T274 VanDerWaalsContact CG1-CG2 3.49Å; M268-T274 CarbonylContact O-C 3.58Å; T274-V276 HydrophobicContact CG2-CG2 4.29Å; T274-I294 HydrophobicContact CG2-CD1 4.45Å
275	Y	98.9	Very high	97.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	124.7	-179.3	-59.2	-95	0	0	0	108.9	P224 F227 V247 Q248 H256 F258 V267 M268 D270 T273	P224-Y275 HydrophobicContact CG-CD1 3.78Å; P224-Y275 HydrophobicContact CG-CE1 3.81Å; F227-Y275 HydrophobicContact CB-CD1 4.05Å; F227-Y275 HydrophobicContact CB-CG 3.99Å; F227-Y275 HydrophobicContact CD1-CD1 4.21Å; F227-Y275 AromaticContact CD1-CD2 3.29Å; F227-Y275 HydrophobicContact CD1-CD2 3.29Å; F227-Y275 HydrophobicContact CD1-CE1 4.47Å; F227-Y275 AromaticContact CD1-CE2 3.64Å; F227-Y275 HydrophobicContact CD1-CE2 3.64Å; F227-Y275 AromaticContact CD1-CG 3.61Å; F227-Y275 HydrophobicContact CD1-CG 3.61Å; F227-Y275 HydrophobicContact CD2-CD1 4.4Å; F227-Y275 HydrophobicContact CD2-CE1 4.16Å; F227-Y275 HydrophobicContact CD2-CE2 4.36Å; F227-Y275 AromaticContact CE1-CD2 3.5Å; F227-Y275 HydrophobicContact CE1-CD2 3.5Å; F227-Y275 AromaticContact CE1-CE2 3.41Å; F227-Y275 HydrophobicContact CE1-CE2 3.41Å; F227-Y275 VanDerWaalsContact CE1-CE2 3.41Å; F227-Y275 HydrophobicContact CE1-CG 4.27Å; F227-Y275 HydrophobicContact CE2-CE2 4.19Å; F227-Y275 AromaticContact CG-CD1 3.95Å; F227-Y275 HydrophobicContact CG-CD1 3.95Å; F227-Y275 AromaticContact CG-CD2 3.89Å; F227-Y275 HydrophobicContact CG-CD2 3.89Å; F227-Y275 HydrophobicContact CG-CE1 4.16Å; F227-Y275 HydrophobicContact CG-CE2 4.11Å; F227-Y275 AromaticContact CG-CG 3.8Å; F227-Y275 HydrophobicContact CG-CG 3.8Å; F227-Y275 HydrophobicContact CZ-CD2 4.26Å; F227-Y275 AromaticContact CZ-CE2 3.73Å; F227-Y275 HydrophobicContact CZ-CE2 3.73Å; V247-Y275 HydrophobicContact CG1-CE1 3.84Å; V247-Y275 WeakPolarHBondContact CG1-OH 3.27Å; Q248-Y275 WeakPolarHBondContact CG-OH 3.31Å; H256-Y275 HydrophobicContact CB-CD1 4.02Å; H256-Y275 HydrophobicContact CB-CE1 4.39Å; H256-Y275 AromaticContact ND1-CD1 3.88Å; H256-Y275 AromaticContact ND1-CE1 3.95Å; H256-Y275 CarbonylContact O-C 2.94Å; H256-Y275 WeakPolarHBondContact O-CA 3.2Å; F258-Y275 HydrophobicContact CE1-CD1 4.09Å; V267-Y275 WeakPolarHBondContact CA-O 3.27Å; M268-Y275 PolarHBondContact N-O 3.44Å; M268-Y275 PolarHBondContact O-N 3.25Å; D270-Y275 HydrophobicContact CB-CE2 4.07Å; D270-Y275 WeakPolarHBondContact OD2-CE2 3.26Å; D270-Y275 PolarHBondContact OD2-OH 2.9Å; T273-Y275 HydrophobicContact CG2-CD1 4.18Å; T273-Y275 HydrophobicContact CG2-CD2 4.13Å; T273-Y275 HydrophobicContact CG2-CE1 3.84Å; T273-Y275 HydrophobicContact CG2-CE2 3.76Å; T273-Y275 HydrophobicContact CG2-CG 4.33Å; T273-Y275 WeakPolarHBondContact O-CD2 3.42Å; T273-Y275 WeakPolarHBondContact O-CE2 3.48Å
276	V	98.9	Very high	97.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	113.2	-177.6	179.1	0	0	0	0	108.9	C70 L255 H256 V257 F258 V267 T274 A278 I292 I294	C70-V276 HydrophobicContact CB-CG1 4Å; L255-V276 HydrophobicContact CD1-CB 4.47Å; L255-V276 HydrophobicContact CD1-CG2 3.6Å; H256-V276 PolarHBondContact O-N 3.14Å; V257-V276 WeakPolarHBondContact CA-O 3.28Å; V257-V276 HydrophobicContact CG1-CB 4.41Å; V257-V276 HydrophobicContact CG1-CG1 4.44Å; V257-V276 HydrophobicContact CG2-CB 4.32Å; F258-V276 PolarHBondContact N-O 2.93Å; F258-V276 VanDerWaalsContact O-O 3.12Å; V267-V276 HydrophobicContact CG1-CG2 4.09Å; V267-V276 HydrophobicContact CG2-CG2 4.2Å; T274-V276 HydrophobicContact CG2-CG2 4.29Å; V276-A278 HydrophobicContact CG1-CB 4.1Å; V276-I292 HydrophobicContact CG1-CB 4.02Å; V276-I292 HydrophobicContact CG1-CD1 3.72Å; V276-I292 HydrophobicContact CG1-CG1 4.47Å; V276-I292 HydrophobicContact CG1-CG2 3.73Å; V276-I292 HydrophobicContact CG2-CG2 4.46Å; V276-I294 HydrophobicContact CG2-CD1 4.03Å; V276-I294 HydrophobicContact CG2-CG1 3.95Å
277	N	98.9	Very high	97.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	106.7	162.6	-175.3	-33	0	0	0	107.6	L228 F258 I261 G264 G266 S279 I292	L228-N277 HydrophobicContact CB-CB 3.75Å; L228-N277 HydrophobicContact CD1-CB 3.55Å; L228-N277 HydrophobicContact CG-CB 4.26Å; L228-N277 PolarHBondContact O-ND2 3.41Å; F258-N277 HydrophobicContact CD2-CB 4.03Å; F258-N277 HydrophobicContact CE2-CB 3.63Å; F258-N277 CarbonylContact O-C 3.57Å; F258-N277 WeakPolarHBondContact O-CA 3.42Å; I261-N277 PolarHBondContact O-ND2 3.17Å; G264-N277 VanDerWaalsContact C-ND2 3.33Å; G264-N277 VanDerWaalsContact O-CB 3.23Å; G264-N277 WeakPolarHBondContact O-CB 3.26Å; G264-N277 PolarHBondContact O-ND2 3.14Å; G266-N277 PolarHBondContact N-O 2.93Å; G266-N277 PolarHBondContact O-N 3.44Å; N277-S279 WeakPolarHBondContact OD1-CB 3.37Å; N277-S279 PolarHBondContact OD1-N 2.95Å; N277-S279 PolarHBondContact OD1-OG 2.48Å; N277-S279 VanDerWaalsContact OD1-OG 3.04Å; N277-I292 WeakPolarHBondContact O-CD1 3.48Å
278	A	98.8	Very high	97.7	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.008	22%	0.221	C	C	.	.			trans	-98.3	17.3	-171.2	0	0	0	0	0	113.5	C70 I71 S72 V257 F258 V276 V280	C70-A278 HydrophobicContact CB-CB 4.01Å; I71-A278 CarbonylContact C-O 3.59Å; I71-A278 WeakPolarHBondContact CA-O 3.35Å; S72-A278 PolarHBondContact N-O 2.65Å; V257-A278 HydrophobicContact CG1-CB 4.08Å; F258-A278 PolarHBondContact O-N 3.44Å; V276-A278 HydrophobicContact CG1-CB 4.1Å; A278-V280 PolarHBondContact O-N 3.39Å
279	S	98.8	Very high	97.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-58.2	108.5	-179	-64.6	0	0	0	0	111.8	D73 G259 H260 Y265 N277 N289	D73-S279 WeakPolarHBondContact OD2-CA 3.46Å; D73-S279 WeakPolarHBondContact OD2-CB 3.3Å; D73-S279 PolarHBondContact OD2-OG 2.92Å; G259-S279 WeakPolarHBondContact CA-OG 3.4Å; H260-S279 PolarHBondContact N-OG 3.15Å; Y265-S279 WeakPolarHBondContact CD2-O 3.48Å; N277-S279 WeakPolarHBondContact OD1-CB 3.37Å; N277-S279 PolarHBondContact OD1-N 2.95Å; N277-S279 PolarHBondContact OD1-OG 2.48Å; N277-S279 VanDerWaalsContact OD1-OG 3.04Å; S279-N289 WeakPolarHBondContact O-CB 3.32Å; S279-N289 PolarHBondContact O-ND2 3.26Å
280	V	98.6	Very high	97.7	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	24%	0.237	C	C	.	.			trans	-74.3	-39.8	179.4	170.1	0	0	0	0	110.4	I71 S72 T74 I81 A278 P287 L288 N289	I71-V280 HydrophobicContact CB-CG2 3.71Å; I71-V280 HydrophobicContact CG2-CG2 3.7Å; S72-V280 PolarHBondContact O-N 2.93Å; T74-V280 HydrophobicContact CG2-CB 4.38Å; T74-V280 HydrophobicContact CG2-CG2 4.46Å; I81-V280 HydrophobicContact CD1-CG1 3.86Å; I81-V280 HydrophobicContact CG1-CG1 4.11Å; A278-V280 PolarHBondContact O-N 3.39Å; V280-P287 HydrophobicContact CG1-CB 3.75Å; V280-P287 CarbonylContact O-C 3.45Å; V280-P287 WeakPolarHBondContact O-CA 3.12Å; V280-L288 PolarHBondContact O-N 2.91Å; V280-N289 WeakPolarHBondContact O-CB 3.12Å; V280-N289 PolarHBondContact O-N 2.9Å
281	C	98.4	Very high	97.8	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-71.3	137.9	172.3	-78.9	0	0	0	0	111.5	D73 H262 Q286	D73-C281 WeakPolarHBondContact O-CB 3.24Å; D73-C281 PolarHBondContact O-N 3.19Å; D73-C281 PolarHBondContact O-SG 3.4Å; H262-C281 WeakPolarHBondContact CB-O 3.34Å; H262-C281 VanDerWaalsContact CG-O 3.26Å; H262-C281 PolarHBondContact ND1-O 2.95Å; C281-Q286 WeakPolarHBondContact CA-O 3.34Å
282	T	97.8	Very high	97.9	Very high	28 Å²	28	36.6 Å²	36.6	17%	0.172	20%	0.197	C	C	.	.			trans	-76.9	175.8	166.7	61.7	0	0	0	0	110.7	H262 N284 Y285 Q286 L288	H262-T282 PolarHBondContact ND1-O 3.27Å; T282-N284 PolarHBondContact O-N 3.29Å; T282-N284 PolarHBondContact OG1-N 2.89Å; T282-Y285 PolarHBondContact O-N 3.1Å; T282-Q286 PolarHBondContact N-O 3.29Å; T282-Q286 PolarHBondContact OG1-O 3.07Å; T282-L288 HydrophobicContact CG2-CB 4.05Å; T282-L288 HydrophobicContact CG2-CD1 4.45Å
283	V	94.3	Very high	98	Very high	56 Å²	56	32.7 Å²	32.7	34%	0.339	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-15.7	172.9	-63.3	0	0	0	0	114.9	H262 E263	H262-V283 HydrophobicContact CB-CG1 4.28Å; E263-V283 VanDerWaalsContact CD-CG1 3.44Å; E263-V283 HydrophobicContact CG-CG1 3.42Å; E263-V283 VanDerWaalsContact CG-CG1 3.42Å
284	N	95.9	Very high	98	Very high	113 Å²	113	33.4 Å²	33.4	60%	0.604	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.2	15.7	177.4	-62.1	-35.9	0	0	0	112.4	T282 Q286	T282-N284 PolarHBondContact O-N 3.29Å; T282-N284 PolarHBondContact OG1-N 2.89Å; N284-Q286 HydrophobicContact CB-CG 4.34Å; N284-Q286 PolarHBondContact O-N 3.39Å; N284-Q286 PolarHBondContact O-NE2 2.97Å
285	Y	95.1	Very high	98	Very high	106 Å²	106	33 Å²	33	42%	0.416	17%	0.173	S	C	.	.	S	Bend	trans	55.3	33.8	-178.4	-65.4	-90.8	0	0	0	113.5	H75 R77 T282	H75-Y285 AromaticContact CD2-CD1 3.68Å; H75-Y285 AromaticContact CD2-CE1 3.81Å; H75-Y285 AromaticContact CE1-CE1 3.99Å; H75-Y285 AromaticContact NE2-CD1 3.92Å; H75-Y285 AromaticContact NE2-CE1 3.55Å; R77-Y285 VanDerWaalsContact CD-O 3.27Å; R77-Y285 WeakPolarHBondContact CD-O 3.31Å; R77-Y285 PolarHBondContact NE-O 3.09Å; T282-Y285 PolarHBondContact O-N 3.1Å
286	Q	97.5	Very high	97.9	Very high	95 Å²	95	33.6 Å²	33.6	44%	0.444	18%	0.177	S	C	.	.			trans	-102.1	124.6	172.1	-58.3	-58.3	-55.8	0	0	109	C281 T282 N284 L288	C281-Q286 WeakPolarHBondContact CA-O 3.34Å; T282-Q286 PolarHBondContact N-O 3.29Å; T282-Q286 PolarHBondContact OG1-O 3.07Å; N284-Q286 HydrophobicContact CB-CG 4.34Å; N284-Q286 PolarHBondContact O-N 3.39Å; N284-Q286 PolarHBondContact O-NE2 2.97Å; Q286-L288 HydrophobicContact CB-CD1 3.77Å; Q286-L288 HydrophobicContact CB-CG 3.73Å; Q286-L288 PolarHBondContact O-N 2.94Å
287	P	97.3	Very high	97.9	Very high	22 Å²	22	36 Å²	36	14%	0.143	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-77	70.8	-178.3	34.3	-38.8	0	0	0	111.1	R77 P80 I81 V280	R77-P287 HydrophobicContact CB-CB 4.35Å; R77-P287 HydrophobicContact CB-CG 3.95Å; P80-P287 HydrophobicContact CG-CB 4.29Å; P80-P287 HydrophobicContact CG-CG 3.36Å; I81-P287 HydrophobicContact CG1-CB 4.27Å; V280-P287 HydrophobicContact CG1-CB 3.75Å; V280-P287 CarbonylContact O-C 3.45Å; V280-P287 WeakPolarHBondContact O-CA 3.12Å
288	L	97.8	Very high	97.7	Very high	125 Å²	125	37.9 Å²	37.9	65%	0.654	20%	0.204	S	C	*	.			trans	-107.8	-20	-172.2	-60.6	177.3	0	0	0	113.4	V280 T282 Q286	V280-L288 PolarHBondContact O-N 2.91Å; T282-L288 HydrophobicContact CG2-CB 4.05Å; T282-L288 HydrophobicContact CG2-CD1 4.45Å; Q286-L288 HydrophobicContact CB-CD1 3.77Å; Q286-L288 HydrophobicContact CB-CG 3.73Å; Q286-L288 PolarHBondContact O-N 2.94Å
289	N	98.4	Very high	97.5	Very high	32 Å²	32	39.7 Å²	39.7	17%	0.171	22%	0.215	C	C	.	.	S	Bend	trans	-75.5	128.2	177.5	-65.3	-26.7	0	0	0	108.9	Y265 S279 V280	Y265-N289 WeakPolarHBondContact CB-ND2 3.2Å; Y265-N289 HydrophobicContact CD1-CB 4.07Å; Y265-N289 HydrophobicContact CD2-CB 3.59Å; Y265-N289 HydrophobicContact CE1-CB 4.14Å; Y265-N289 HydrophobicContact CE2-CB 3.65Å; Y265-N289 HydrophobicContact CG-CB 3.81Å; S279-N289 WeakPolarHBondContact O-CB 3.32Å; S279-N289 PolarHBondContact O-ND2 3.26Å; V280-N289 WeakPolarHBondContact O-CB 3.12Å; V280-N289 PolarHBondContact O-N 2.9Å
290	P	98.4	Very high	96.8	Very high	64 Å²	64	50.5 Å²	50.5	42%	0.416	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-69.5	153.1	-178.2	26.9	-31.6	0	0	0	111.2	Y265 I292	Y265-P290 WeakPolarHBondContact CE2-O 3.34Å; Y265-P290 WeakPolarHBondContact OH-CG 3.35Å; Y265-P290 PolarHBondContact OH-O 3.42Å; P290-I292 PolarHBondContact O-N 3.33Å
291	P	98.8	Very high	95	Very high	5 Å²	5	57.8 Å²	57.8	3%	0.032	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-55.2	136.4	170.5	-27.4	36.4	0	0	0	111.9	H57 V69 I71 I81 M83 P84	H57-P291 PolarHBondContact NE2-O 2.93Å; V69-P291 HydrophobicContact CG1-CB 3.71Å; I71-P291 HydrophobicContact CG2-CB 3.62Å; I71-P291 HydrophobicContact CG2-CG 3.82Å; I81-P291 HydrophobicContact CG2-CG 3.87Å; M83-P291 HydrophobicContact CE-CG 4.42Å; M83-P291 HydrophobicContact SD-CG 3.82Å; P84-P291 HydrophobicContact CG-CB 4.03Å
292	I	98.9	Very high	92.5	Very high	2 Å²	2	67.6 Å²	67.6	1%	0.01	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	130.7	179.3	-71.5	171.8	0	0	0	109.5	P54 C70 Y265 V267 V276 N277 P290 I294	P54-I292 HydrophobicContact CB-CG2 4Å; C70-I292 HydrophobicContact CB-CB 4.34Å; C70-I292 PolarHBondContact N-O 3.42Å; C70-I292 PolarHBondContact O-N 3.2Å; Y265-I292 HydrophobicContact CD2-CD1 4.05Å; Y265-I292 HydrophobicContact CE2-CD1 3.49Å; Y265-I292 VanDerWaalsContact CE2-CD1 3.49Å; Y265-I292 HydrophobicContact CE2-CG1 3.65Å; Y265-I292 WeakPolarHBondContact OH-CG1 3.48Å; V267-I292 HydrophobicContact CG2-CD1 4.03Å; V267-I292 HydrophobicContact CG2-CG2 3.77Å; V276-I292 HydrophobicContact CG1-CB 4.02Å; V276-I292 HydrophobicContact CG1-CD1 3.72Å; V276-I292 HydrophobicContact CG1-CG1 4.47Å; V276-I292 HydrophobicContact CG1-CG2 3.73Å; V276-I292 HydrophobicContact CG2-CG2 4.46Å; N277-I292 WeakPolarHBondContact O-CD1 3.48Å; P290-I292 PolarHBondContact O-N 3.33Å; I292-I294 HydrophobicContact CG2-CD1 4.02Å; I292-I294 HydrophobicContact CG2-CG1 4.09Å
293	V	98.8	Very high	92.3	Very high	1 Å²	1	69.6 Å²	69.6	1%	0.006	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.6	178.6	-179.5	0	0	0	0	110	V55 R67 F68 P84	V55-V293 HydrophobicContact CB-CB 4.12Å; V55-V293 HydrophobicContact CB-CG1 4Å; V55-V293 WeakPolarHBondContact CB-O 3.47Å; V55-V293 HydrophobicContact CG1-CG1 4.23Å; V55-V293 PolarHBondContact N-O 3.06Å; V55-V293 VanDerWaalsContact N-O 3.13Å; R67-V293 VanDerWaalsContact CD-CG1 3.4Å; R67-V293 HydrophobicContact CG-CG1 3.49Å; R67-V293 VanDerWaalsContact CG-CG1 3.49Å; F68-V293 WeakPolarHBondContact O-CA 3.29Å; P84-V293 HydrophobicContact CB-CG2 4.19Å; P84-V293 HydrophobicContact CG-CG2 3.75Å
294	I	98.6	Very high	92.2	Very high	17 Å²	17	70.3 Å²	70.3	9%	0.087	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	128.1	176.4	-56.9	-64.8	0	0	0	109.2	F68 L255 V267 T274 V276 I292 L296	F68-I294 PolarHBondContact N-O 3.41Å; F68-I294 PolarHBondContact O-N 3.25Å; L255-I294 HydrophobicContact CD1-CG1 4.4Å; L255-I294 HydrophobicContact CD1-CG2 4.41Å; L255-I294 HydrophobicContact CD2-CG2 4.39Å; V267-I294 HydrophobicContact CG1-CD1 4.42Å; V267-I294 HydrophobicContact CG2-CD1 4.46Å; T274-I294 HydrophobicContact CG2-CD1 4.45Å; V276-I294 HydrophobicContact CG2-CD1 4.03Å; V276-I294 HydrophobicContact CG2-CG1 3.95Å; I292-I294 HydrophobicContact CG2-CD1 4.02Å; I292-I294 HydrophobicContact CG2-CG1 4.09Å; I294-L296 HydrophobicContact CG2-CD2 4.18Å; I294-L296 HydrophobicContact CG2-CG 4.24Å
295	D	98.4	Very high	92	Very high	25 Å²	25	67.9 Å²	67.9	13%	0.134	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.1	173.8	-69.5	-27.1	0	0	0	109.8	P62 Y65 R67	P62-D295 VanDerWaalsContact CD-OD2 3.25Å; P62-D295 WeakPolarHBondContact CD-OD2 3.41Å; Y65-D295 HydrophobicContact CD1-CB 3.89Å; R67-D295 VanDerWaalsContact CA-OD1 3.32Å; R67-D295 WeakPolarHBondContact CA-OD1 3.42Å; R67-D295 WeakPolarHBondContact CB-OD1 3.38Å; R67-D295 VanDerWaalsContact CG-OD1 3.24Å; R67-D295 WeakPolarHBondContact CG-OD1 3.46Å; R67-D295 IonicContact CZ-OD1 3.55Å; R67-D295 IonicContact CZ-OD2 3.98Å; R67-D295 IonicContact NE-OD1 3.47Å; R67-D295 PolarHBondContact NE-OD1 2.81Å; R67-D295 IonicContact NE-OD2 3.36Å; R67-D295 PolarHBondContact NE-OD2 3Å; R67-D295 IonicContact NH2-OD1 2.78Å; R67-D295 IonicContact NH2-OD2 3.28Å; R67-D295 PolarHBondContact NH2-OD2 2.96Å
296	L	98	Very high	91.8	Very high	13 Å²	13	65.7 Å²	65.7	7%	0.068	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.8	173	-63.3	178.4	0	0	0	110.7	Y65 T66 F68 F180 I217 L255 I294 T298	Y65-L296 CarbonylContact C-O 3.57Å; Y65-L296 WeakPolarHBondContact CA-O 3.46Å; Y65-L296 VanDerWaalsContact CD1-C 3.44Å; T66-L296 PolarHBondContact N-O 2.8Å; T66-L296 PolarHBondContact O-N 3.21Å; F68-L296 HydrophobicContact CD2-CB 4.43Å; F68-L296 HydrophobicContact CD2-CD1 4.17Å; F68-L296 HydrophobicContact CD2-CG 4.23Å; F68-L296 HydrophobicContact CE2-CB 4.05Å; F68-L296 HydrophobicContact CE2-CD1 3.89Å; F68-L296 HydrophobicContact CE2-CG 4.17Å; F180-L296 HydrophobicContact CD1-CD1 4.49Å; F180-L296 HydrophobicContact CE1-CB 3.74Å; F180-L296 HydrophobicContact CE1-CD1 3.92Å; F180-L296 HydrophobicContact CZ-CB 3.79Å; I217-L296 HydrophobicContact CD1-CD1 3.98Å; I217-L296 HydrophobicContact CG1-CD1 4.19Å; L255-L296 HydrophobicContact CB-CD1 4.08Å; L255-L296 HydrophobicContact CD2-CD1 4.27Å; I294-L296 HydrophobicContact CG2-CD2 4.18Å; I294-L296 HydrophobicContact CG2-CG 4.24Å; L296-T298 PolarHBondContact O-N 2.94Å; L296-T298 VanDerWaalsContact O-N 3.14Å
297	P	97.6	Very high	91.4	Very high	50 Å²	50	63.9 Å²	63.9	33%	0.325	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.9	121.8	169.3	-21.2	19.8	0	0	0	110.7	Y65 F180 R254	Y65-P297 HydrophobicContact CD1-CG 4.22Å; Y65-P297 HydrophobicContact CE1-CB 4.42Å; Y65-P297 HydrophobicContact CE1-CG 3.65Å; Y65-P297 HydrophobicContact CE2-CB 4.39Å; Y65-P297 HydrophobicContact CE2-CG 4.27Å; F180-P297 WeakPolarHBondContact CZ-O 3.31Å; R254-P297 PolarHBondContact NH1-O 3.01Å; R254-P297 VanDerWaalsContact NH1-O 3.12Å; R254-P297 VanDerWaalsContact NH2-CG 3.31Å; R254-P297 PolarHBondContact NH2-O 2.97Å
298	T	96.6	Very high	91	Very high	40 Å²	40	66.7 Å²	66.7	25%	0.245	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-65.3	126.6	-179.3	-51.8	0	0	0	0	109.1	G64 Y65 T66 F180 L296 R300	G64-T298 WeakPolarHBondContact O-CB 3.49Å; G64-T298 PolarHBondContact O-N 2.99Å; G64-T298 PolarHBondContact O-OG1 2.99Å; Y65-T298 WeakPolarHBondContact CA-OG1 3.47Å; T66-T298 PolarHBondContact N-OG1 3Å; T66-T298 VanDerWaalsContact N-OG1 3.13Å; T66-T298 PolarHBondContact OG1-OG1 3.28Å; F180-T298 HydrophobicContact CE2-CG2 4.43Å; L296-T298 PolarHBondContact O-N 2.94Å; L296-T298 VanDerWaalsContact O-N 3.14Å; T298-R300 PolarHBondContact O-N 3.12Å
299	P	94.1	Very high	90.5	Very high	38 Å²	38	62.5 Å²	62.5	25%	0.247	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-53.9	128.7	172.8	-27.8	36	0	0	0	109.9	F180	F180-P299 HydrophobicContact CD1-CG 3.99Å; F180-P299 HydrophobicContact CD2-CG 4.23Å; F180-P299 HydrophobicContact CE1-CG 4.06Å; F180-P299 HydrophobicContact CE2-CG 4.27Å; F180-P299 HydrophobicContact CG-CG 4.1Å; F180-P299 HydrophobicContact CZ-CG 4.23Å
300	R	84.5	Confident	89.9	Confident	228 Å²	228	64.8 Å²	64.8	86%	0.86	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-79.4	128.6	172.1	-63.9	-177.6	-176.9	-179.5	0.9	106.9	T298 T302	T298-R300 PolarHBondContact O-N 3.12Å; R300-T302 PolarHBondContact O-N 3.5Å
301	N	60.8	Low	89.2	Confident	154 Å²	154	64.9 Å²	64.9	82%	0.824	34%	0.342	S	S	*	.			trans	-59.6	108.3	166.2	-68.3	-12.2	0	0	0	107.1
302	T	45.9	Very low	88.4	Confident	206 Å²	206	70.4 Å²	70.4	100%	1.264	37%	0.37	S	S	*	.			trans	-79.5	0	164.9	51.4	0	0	0	0	109.8	R300	R300-T302 PolarHBondContact O-N 3.5Å

Retrieved 302 of 302 residues in 188.5 ms (Link to these results)

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