A0A087Y7Q5_POEFO Loading...

Mannosidase endo-alpha like

AlphaFold DB (M4AJI1), UniProt , Accession A0A087Y7Q5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 445 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	33	Very low	46.5	Very low	242 Å²	242	145.3 Å²	145.3	100%	1.192	74%	0.743	S	S	*	*				0	125.4	0	-77.9	171.2	158.5	0	0	107
2	Q	33	Very low	47.1	Very low	183 Å²	183	149.6 Å²	149.6	86%	0.855	74%	0.743	S	S	*	*			cis	-157.5	157.5	-2.4	-95.8	-178.2	-24.9	0	0	105.2
3	P	44.3	Very low	47.8	Very low	123 Å²	123	150.2 Å²	150.2	80%	0.799	74%	0.738	S	S	*	*			trans	-90.7	163.2	-166.6	35.2	-33.3	0	0	0	115.8
4	L	54.5	Low	48.8	Very low	133 Å²	133	143.7 Å²	143.7	70%	0.696	72%	0.721	S	S	*	*			trans	-48.4	148.7	179.3	-81	90.4	0	0	0	116.2
5	P	46.2	Very low	49.5	Very low	103 Å²	103	139.7 Å²	139.7	67%	0.669	71%	0.71	S	S	*	*			trans	-132.4	58.5	161.7	42	-26.2	0	0	0	114.1
6	T	53.5	Low	50.6	Low	104 Å²	104	136.1 Å²	136.1	64%	0.638	70%	0.697	S	S	*	*	S	Bend	trans	-125.7	-38.9	173.6	26	0	0	0	0	114.1
7	M	46.7	Very low	51.5	Low	133 Å²	133	131.5 Å²	131.5	66%	0.655	69%	0.685	S	S	*	*	H	α-helix	trans	-74.2	-29	176	-84.8	-165.9	-94	0	0	114.3	R11	M7-R11 WeakPolarHBondContact O-CB 3.1Å; M7-R11 PolarHBondContact O-N 3.49Å; M7-R11 VanDerWaalsContact O-N 3.16Å
8	A	46.1	Very low	52.2	Low	65 Å²	65	131.1 Å²	131.1	54%	0.537	68%	0.682	S	S	.	*	H	α-helix	trans	-70.9	-30.9	179.7	0	0	0	0	0	113	R12	A8-R12 VanDerWaalsContact O-CB 3.27Å; A8-R12 WeakPolarHBondContact O-CB 3.19Å; A8-R12 WeakPolarHBondContact O-CG 3.4Å; A8-R12 PolarHBondContact O-N 3.5Å
9	R	49.4	Very low	53	Low	193 Å²	193	131.2 Å²	131.2	73%	0.728	68%	0.677	S	S	*	*	H	α-helix	trans	-74.6	-38.8	179.1	-105.8	177.8	165.9	-179.7	-3.7	112.2	K13	R9-K13 WeakPolarHBondContact O-CG 3.29Å; R9-K13 PolarHBondContact O-N 3.24Å
10	L	50.4	Low	53.8	Low	136 Å²	136	129.9 Å²	129.9	71%	0.712	67%	0.671	S	S	*	*	H	α-helix	trans	-71.1	-43.2	177.2	-136.3	84.5	0	0	0	111.3	K13 A14	L10-K13 PolarHBondContact O-N 2.61Å; L10-A14 WeakPolarHBondContact O-CB 3.2Å; L10-A14 PolarHBondContact O-N 3.33Å
11	R	54.2	Low	54.3	Low	183 Å²	183	129.9 Å²	129.9	69%	0.691	67%	0.666	S	S	*	*	H	α-helix	trans	-64.1	-38.2	173.3	-77.1	-177.1	173.1	-179.8	-1.6	112.5	M7 A14 C15	M7-R11 WeakPolarHBondContact O-CB 3.1Å; M7-R11 PolarHBondContact O-N 3.49Å; M7-R11 VanDerWaalsContact O-N 3.16Å; R11-A14 PolarHBondContact O-N 3.35Å; R11-C15 WeakPolarHBondContact O-CB 3.38Å; R11-C15 PolarHBondContact O-N 3.18Å; R11-C15 PolarHBondContact O-SG 3.41Å
12	R	54.1	Low	55.8	Low	197 Å²	197	121.2 Å²	121.2	74%	0.743	63%	0.627	S	S	*	*	H	α-helix	trans	-62.8	-43.3	172.7	-91.8	-176.3	174.6	-176.7	-0.8	112.5	A8 C15 V16	A8-R12 VanDerWaalsContact O-CB 3.27Å; A8-R12 WeakPolarHBondContact O-CB 3.19Å; A8-R12 WeakPolarHBondContact O-CG 3.4Å; A8-R12 PolarHBondContact O-N 3.5Å; R12-C15 PolarHBondContact O-N 3.3Å; R12-V16 VanDerWaalsContact O-CB 3.31Å; R12-V16 WeakPolarHBondContact O-CB 3.29Å; R12-V16 WeakPolarHBondContact O-CG2 3.42Å; R12-V16 PolarHBondContact O-N 2.8Å
13	K	56.5	Low	57.3	Low	157 Å²	157	116.8 Å²	116.8	68%	0.683	61%	0.609	S	S	*	*	H	α-helix	trans	-66.1	-40.2	178.3	-74	-177.4	178.1	-170.2	0	112.1	R9 L10 A17	R9-K13 WeakPolarHBondContact O-CG 3.29Å; R9-K13 PolarHBondContact O-N 3.24Å; L10-K13 PolarHBondContact O-N 2.61Å; K13-A17 WeakPolarHBondContact O-CB 3.49Å; K13-A17 PolarHBondContact O-N 3.07Å
14	A	60.8	Low	58.5	Low	60 Å²	60	118 Å²	118	50%	0.496	60%	0.602	S	S	.	*	H	α-helix	trans	-66.9	-43.5	175.1	0	0	0	0	0	112.1	L10 R11 A17 L18	L10-A14 WeakPolarHBondContact O-CB 3.2Å; L10-A14 PolarHBondContact O-N 3.33Å; R11-A14 PolarHBondContact O-N 3.35Å; A14-A17 PolarHBondContact O-N 3.34Å; A14-L18 WeakPolarHBondContact O-CB 3.43Å; A14-L18 PolarHBondContact O-N 3.06Å
15	C	59.7	Low	59.1	Low	83 Å²	83	114.8 Å²	114.8	56%	0.561	58%	0.584	S	S	*	*	H	α-helix	trans	-67.1	-36.2	175.9	-71	0	0	0	0	112.5	R11 R12 L18 F19	R11-C15 WeakPolarHBondContact O-CB 3.38Å; R11-C15 PolarHBondContact O-N 3.18Å; R11-C15 PolarHBondContact O-SG 3.41Å; R12-C15 PolarHBondContact O-N 3.3Å; C15-L18 PolarHBondContact O-N 3.47Å; C15-F19 WeakPolarHBondContact O-CB 3.39Å; C15-F19 PolarHBondContact O-N 2.63Å
16	V	67.5	Low	59.6	Low	83 Å²	83	116.6 Å²	116.6	50%	0.503	58%	0.582	S	S	.	*	H	α-helix	trans	-67.7	-41.1	174.7	169.6	0	0	0	0	110.7	R12 F19 L20	R12-V16 VanDerWaalsContact O-CB 3.31Å; R12-V16 WeakPolarHBondContact O-CB 3.29Å; R12-V16 WeakPolarHBondContact O-CG2 3.42Å; R12-V16 PolarHBondContact O-N 2.8Å; V16-F19 PolarHBondContact O-N 3.47Å; V16-L20 HydrophobicContact CG1-CD1 3.89Å; V16-L20 HydrophobicContact CG1-CG 4.38Å; V16-L20 WeakPolarHBondContact O-CB 3.41Å; V16-L20 VanDerWaalsContact O-CG 3.24Å; V16-L20 WeakPolarHBondContact O-CG 3.42Å; V16-L20 PolarHBondContact O-N 3.31Å
17	A	65.1	Low	59.7	Low	58 Å²	58	113.8 Å²	113.8	48%	0.479	57%	0.574	S	S	.	*	H	α-helix	trans	-64.5	-42.3	174.7	0	0	0	0	0	112	K13 A14 F19 L20 F21	K13-A17 WeakPolarHBondContact O-CB 3.49Å; K13-A17 PolarHBondContact O-N 3.07Å; A14-A17 PolarHBondContact O-N 3.34Å; A17-F19 VanDerWaalsContact C-N 3.34Å; A17-L20 PolarHBondContact O-N 3.45Å; A17-F21 VanDerWaalsContact O-CB 3.27Å; A17-F21 WeakPolarHBondContact O-CB 3.31Å; A17-F21 PolarHBondContact O-N 3.34Å
18	L	64.4	Low	60.2	Low	123 Å²	123	109.7 Å²	109.7	64%	0.644	56%	0.558	S	S	*	*	H	α-helix	trans	-66.7	-36.8	176.8	-146.1	92.2	0	0	0	111.9	A14 C15 F21 T22	A14-L18 WeakPolarHBondContact O-CB 3.43Å; A14-L18 PolarHBondContact O-N 3.06Å; C15-L18 PolarHBondContact O-N 3.47Å; L18-F21 PolarHBondContact O-N 3.03Å; L18-T22 WeakPolarHBondContact O-CB 3.34Å; L18-T22 PolarHBondContact O-N 3.02Å; L18-T22 PolarHBondContact O-OG1 3.4Å
19	F	68.6	Low	60.3	Low	134 Å²	134	111 Å²	111	59%	0.588	56%	0.556	S	S	*	*	H	α-helix	trans	-69.3	-40.8	176.2	-173	-105.2	0	0	0	112.1	C15 V16 A17 T22 L23	C15-F19 WeakPolarHBondContact O-CB 3.39Å; C15-F19 PolarHBondContact O-N 2.63Å; V16-F19 PolarHBondContact O-N 3.47Å; A17-F19 VanDerWaalsContact C-N 3.34Å; F19-T22 VanDerWaalsContact CA-OG1 3.28Å; F19-T22 WeakPolarHBondContact CA-OG1 3.34Å; F19-T22 PolarHBondContact O-N 2.74Å; F19-T22 PolarHBondContact O-OG1 2.85Å; F19-T22 VanDerWaalsContact O-OG1 3.07Å; F19-L23 HydrophobicContact CD1-CD1 3.66Å; F19-L23 HydrophobicContact CE1-CD1 3.31Å; F19-L23 HydrophobicContact CE1-CG 4.23Å; F19-L23 HydrophobicContact CG-CD1 4.48Å; F19-L23 HydrophobicContact CZ-CD1 3.89Å; F19-L23 HydrophobicContact CZ-CG 4.39Å; F19-L23 WeakPolarHBondContact O-CB 3.14Å; F19-L23 WeakPolarHBondContact O-CG 3.49Å; F19-L23 PolarHBondContact O-N 3.04Å
20	L	68.3	Low	60.4	Low	104 Å²	104	107.8 Å²	107.8	55%	0.545	55%	0.55	S	S	.	*	H	α-helix	trans	-68.1	-36.8	173.9	-70.9	170.9	0	0	0	111.8	V16 A17 L23 F24	V16-L20 HydrophobicContact CG1-CD1 3.89Å; V16-L20 HydrophobicContact CG1-CG 4.38Å; V16-L20 WeakPolarHBondContact O-CB 3.41Å; V16-L20 VanDerWaalsContact O-CG 3.24Å; V16-L20 WeakPolarHBondContact O-CG 3.42Å; V16-L20 PolarHBondContact O-N 3.31Å; A17-L20 PolarHBondContact O-N 3.45Å; L20-L23 PolarHBondContact O-N 3.09Å; L20-F24 WeakPolarHBondContact O-CB 3.44Å; L20-F24 PolarHBondContact O-N 2.68Å
21	F	65.3	Low	60	Low	130 Å²	130	102.7 Å²	102.7	57%	0.57	53%	0.531	S	S	*	.	H	α-helix	trans	-68.5	-40.6	175.4	-169.8	-106.3	0	0	0	112	A17 L18 F24 I25	A17-F21 VanDerWaalsContact O-CB 3.27Å; A17-F21 WeakPolarHBondContact O-CB 3.31Å; A17-F21 PolarHBondContact O-N 3.34Å; L18-F21 PolarHBondContact O-N 3.03Å; F21-F24 PolarHBondContact O-N 3.14Å; F21-I25 HydrophobicContact CD1-CD1 3.78Å; F21-I25 HydrophobicContact CE1-CD1 3.4Å; F21-I25 HydrophobicContact CE1-CG1 4.36Å; F21-I25 HydrophobicContact CZ-CD1 3.94Å; F21-I25 WeakPolarHBondContact O-CG1 3.35Å; F21-I25 PolarHBondContact O-N 3.27Å
22	T	63.9	Low	59.5	Low	61 Å²	61	100.3 Å²	100.3	37%	0.374	53%	0.531	S	S	.	.	H	α-helix	trans	-69.6	-36.9	173.9	39.4	0	0	0	0	112.3	L18 F19 F24 I25 F26	L18-T22 WeakPolarHBondContact O-CB 3.34Å; L18-T22 PolarHBondContact O-N 3.02Å; L18-T22 PolarHBondContact O-OG1 3.4Å; F19-T22 VanDerWaalsContact CA-OG1 3.28Å; F19-T22 WeakPolarHBondContact CA-OG1 3.34Å; F19-T22 PolarHBondContact O-N 2.74Å; F19-T22 PolarHBondContact O-OG1 2.85Å; F19-T22 VanDerWaalsContact O-OG1 3.07Å; T22-F24 VanDerWaalsContact C-N 3.33Å; T22-I25 PolarHBondContact O-N 3.27Å; T22-F26 WeakPolarHBondContact O-CB 3.45Å; T22-F26 WeakPolarHBondContact O-CD2 3.12Å; T22-F26 PolarHBondContact O-N 3.15Å
23	L	63.7	Low	58.9	Low	90 Å²	90	100.8 Å²	100.8	47%	0.471	53%	0.533	S	S	.	.	H	α-helix	trans	-63.9	-36.5	170.2	-85.9	167.5	0	0	0	112.5	F19 L20 G27	F19-L23 HydrophobicContact CD1-CD1 3.66Å; F19-L23 HydrophobicContact CE1-CD1 3.31Å; F19-L23 HydrophobicContact CE1-CG 4.23Å; F19-L23 HydrophobicContact CG-CD1 4.48Å; F19-L23 HydrophobicContact CZ-CD1 3.89Å; F19-L23 HydrophobicContact CZ-CG 4.39Å; F19-L23 WeakPolarHBondContact O-CB 3.14Å; F19-L23 WeakPolarHBondContact O-CG 3.49Å; F19-L23 PolarHBondContact O-N 3.04Å; L20-L23 PolarHBondContact O-N 3.09Å; L23-G27 WeakPolarHBondContact O-CA 3.15Å; L23-G27 PolarHBondContact O-N 3.24Å
24	F	70.5	Confident	58	Low	148 Å²	148	98.5 Å²	98.5	65%	0.649	53%	0.532	S	S	*	.	H	α-helix	trans	-67.7	-42.3	174.8	-178.3	-99.8	0	0	0	111.6	L20 F21 T22 G27 S28	L20-F24 WeakPolarHBondContact O-CB 3.44Å; L20-F24 PolarHBondContact O-N 2.68Å; F21-F24 PolarHBondContact O-N 3.14Å; T22-F24 VanDerWaalsContact C-N 3.33Å; F24-G27 PolarHBondContact O-N 2.88Å; F24-S28 WeakPolarHBondContact O-CB 3.44Å; F24-S28 PolarHBondContact O-N 2.77Å; F24-S28 PolarHBondContact O-OG 2.81Å
25	I	66.4	Low	56.9	Low	65 Å²	65	102.1 Å²	102.1	33%	0.333	54%	0.542	S	S	.	.	H	α-helix	trans	-64.6	-46.5	174.6	-70.8	177.3	0	0	0	110.8	F21 T22 S28 L29	F21-I25 HydrophobicContact CD1-CD1 3.78Å; F21-I25 HydrophobicContact CE1-CD1 3.4Å; F21-I25 HydrophobicContact CE1-CG1 4.36Å; F21-I25 HydrophobicContact CZ-CD1 3.94Å; F21-I25 WeakPolarHBondContact O-CG1 3.35Å; F21-I25 PolarHBondContact O-N 3.27Å; T22-I25 PolarHBondContact O-N 3.27Å; I25-S28 WeakPolarHBondContact CA-OG 3.49Å; I25-S28 PolarHBondContact O-N 3.22Å; I25-S28 PolarHBondContact O-OG 3.49Å; I25-L29 HydrophobicContact CG2-CD1 3.62Å; I25-L29 VanDerWaalsContact O-CB 3.32Å; I25-L29 WeakPolarHBondContact O-CB 3.35Å; I25-L29 WeakPolarHBondContact O-CD1 3.24Å; I25-L29 PolarHBondContact O-N 3.27Å
26	F	57.7	Low	55.5	Low	141 Å²	141	106 Å²	106	62%	0.618	55%	0.55	S	S	*	.	H	α-helix	trans	-68.2	-36.6	177.3	-93.8	-85.2	0	0	0	112.7	T22 L29 M30	T22-F26 WeakPolarHBondContact O-CB 3.45Å; T22-F26 WeakPolarHBondContact O-CD2 3.12Å; T22-F26 PolarHBondContact O-N 3.15Å; F26-L29 PolarHBondContact O-N 2.9Å; F26-M30 VanDerWaalsContact O-CB 3.29Å; F26-M30 WeakPolarHBondContact O-CB 3.47Å; F26-M30 WeakPolarHBondContact O-CG 3.47Å; F26-M30 PolarHBondContact O-N 2.91Å
27	G	55.4	Low	53.7	Low	45 Å²	45	108.3 Å²	108.3	46%	0.464	57%	0.567	S	S	.	*	H	α-helix	trans	-67.7	-37.5	175.7	0	0	0	0	0	112.7	L23 F24 G31	L23-G27 WeakPolarHBondContact O-CA 3.15Å; L23-G27 PolarHBondContact O-N 3.24Å; F24-G27 PolarHBondContact O-N 2.88Å; G27-G31 PolarHBondContact O-N 3.42Å
28	S	55.4	Low	52	Low	48 Å²	48	110.1 Å²	110.1	34%	0.336	57%	0.572	S	S	.	*	H	α-helix	trans	-72.8	-40.3	173.4	48.2	0	0	0	0	112.1	F24 I25 G31 L32	F24-S28 WeakPolarHBondContact O-CB 3.44Å; F24-S28 PolarHBondContact O-N 2.77Å; F24-S28 PolarHBondContact O-OG 2.81Å; I25-S28 WeakPolarHBondContact CA-OG 3.49Å; I25-S28 PolarHBondContact O-N 3.22Å; I25-S28 PolarHBondContact O-OG 3.49Å; S28-G31 PolarHBondContact O-N 3.11Å; S28-L32 WeakPolarHBondContact O-CB 3.5Å; S28-L32 VanDerWaalsContact O-CD1 3.29Å; S28-L32 WeakPolarHBondContact O-CD1 3.37Å; S28-L32 PolarHBondContact O-N 3.29Å
29	L	49.5	Very low	50.3	Low	93 Å²	93	111.6 Å²	111.6	49%	0.487	58%	0.581	S	S	.	*	H	α-helix	trans	-64.5	-36.9	172	-94.7	138	0	0	0	113	I25 F26 R33	I25-L29 HydrophobicContact CG2-CD1 3.62Å; I25-L29 VanDerWaalsContact O-CB 3.32Å; I25-L29 WeakPolarHBondContact O-CB 3.35Å; I25-L29 WeakPolarHBondContact O-CD1 3.24Å; I25-L29 PolarHBondContact O-N 3.27Å; F26-L29 PolarHBondContact O-N 2.9Å; L29-R33 WeakPolarHBondContact O-CB 3.31Å; L29-R33 WeakPolarHBondContact O-CG 3.45Å; L29-R33 PolarHBondContact O-N 2.79Å; L29-R33 VanDerWaalsContact O-N 3.08Å
30	M	50.3	Low	48.3	Very low	124 Å²	124	108.9 Å²	108.9	61%	0.611	59%	0.59	S	S	*	*	H	α-helix	trans	-72.5	-39.1	172.9	-77.5	-170.8	69.4	0	0	111.7	F26 L32 R33 T34	F26-M30 VanDerWaalsContact O-CB 3.29Å; F26-M30 WeakPolarHBondContact O-CB 3.47Å; F26-M30 WeakPolarHBondContact O-CG 3.47Å; F26-M30 PolarHBondContact O-N 2.91Å; M30-L32 PolarHBondContact O-N 3.25Å; M30-R33 CarbonylContact O-C 3.46Å; M30-R33 PolarHBondContact O-N 3.46Å; M30-R33 VanDerWaalsContact O-N 3.1Å; M30-T34 WeakPolarHBondContact O-CG2 3.19Å; M30-T34 PolarHBondContact O-N 3.35Å; M30-T34 PolarHBondContact O-OG1 2.59Å; M30-T34 VanDerWaalsContact O-OG1 3.11Å
31	G	42.9	Very low	46.5	Very low	29 Å²	29	114.3 Å²	114.3	30%	0.299	61%	0.61	S	S	.	*	H	α-helix	trans	-60.3	-42.4	173.5	0	0	0	0	0	112.7	G27 S28 R33 T34 L35	G27-G31 PolarHBondContact O-N 3.42Å; S28-G31 PolarHBondContact O-N 3.11Å; G31-R33 VanDerWaalsContact C-N 3.34Å; G31-T34 WeakPolarHBondContact CA-OG1 3.39Å; G31-T34 PolarHBondContact O-N 3.1Å; G31-T34 PolarHBondContact O-OG1 3.13Å; G31-L35 WeakPolarHBondContact O-CG 3.47Å; G31-L35 PolarHBondContact O-N 3.48Å
32	L	44.3	Very low	44.8	Very low	133 Å²	133	113.5 Å²	113.5	70%	0.696	62%	0.621	S	S	*	*	H	α-helix	trans	-68	-28.8	172.3	-95.5	112.2	0	0	0	113.2	S28 M30	S28-L32 WeakPolarHBondContact O-CB 3.5Å; S28-L32 VanDerWaalsContact O-CD1 3.29Å; S28-L32 WeakPolarHBondContact O-CD1 3.37Å; S28-L32 PolarHBondContact O-N 3.29Å; M30-L32 PolarHBondContact O-N 3.25Å
33	R	40.8	Very low	43	Very low	207 Å²	207	118.5 Å²	118.5	78%	0.781	65%	0.645	S	S	*	*	H	α-helix	trans	-80.8	-23	174.8	-81.7	-176.1	174.7	-178.1	-0.6	114	L29 M30 G31	L29-R33 WeakPolarHBondContact O-CB 3.31Å; L29-R33 WeakPolarHBondContact O-CG 3.45Å; L29-R33 PolarHBondContact O-N 2.79Å; L29-R33 VanDerWaalsContact O-N 3.08Å; M30-R33 CarbonylContact O-C 3.46Å; M30-R33 PolarHBondContact O-N 3.46Å; M30-R33 VanDerWaalsContact O-N 3.1Å; G31-R33 VanDerWaalsContact C-N 3.34Å
34	T	38.3	Very low	41.3	Very low	109 Å²	109	122.8 Å²	122.8	67%	0.669	67%	0.667	S	S	*	*	H	α-helix	trans	-84.1	-15.2	173.7	49.4	0	0	0	0	113.1	M30 G31 K36	M30-T34 WeakPolarHBondContact O-CG2 3.19Å; M30-T34 PolarHBondContact O-N 3.35Å; M30-T34 PolarHBondContact O-OG1 2.59Å; M30-T34 VanDerWaalsContact O-OG1 3.11Å; G31-T34 WeakPolarHBondContact CA-OG1 3.39Å; G31-T34 PolarHBondContact O-N 3.1Å; G31-T34 PolarHBondContact O-OG1 3.13Å; T34-K36 PolarHBondContact O-N 3.3Å
35	L	36.1	Very low	39.3	Very low	136 Å²	136	120.1 Å²	120.1	71%	0.712	67%	0.673	S	S	*	*			trans	-78.3	76.1	167.9	-70.3	166.4	0	0	0	109.1	G31	G31-L35 WeakPolarHBondContact O-CG 3.47Å; G31-L35 PolarHBondContact O-N 3.48Å
36	K	31.5	Very low	37.4	Very low	164 Å²	164	123.3 Å²	123.3	71%	0.713	70%	0.698	S	S	*	*			trans	-66.8	133.7	156.9	-76.9	-176.3	173.8	-176.8	0	108	T34 T38	T34-K36 PolarHBondContact O-N 3.3Å; K36-T38 VanDerWaalsContact C-N 3.28Å; K36-T38 HydrophobicContact CB-CG2 4.26Å; K36-T38 HydrophobicContact CD-CG2 4.25Å; K36-T38 PolarHBondContact O-N 3.16Å; K36-T38 VanDerWaalsContact O-N 3.13Å
37	P	30.3	Very low	35.8	Very low	133 Å²	133	119.8 Å²	119.8	86%	0.864	70%	0.701	S	S	*	*			trans	-75.8	91.8	152	26.2	-17.4	0	0	0	106.5
38	T	28.4	Very low	34.3	Very low	95 Å²	95	126.1 Å²	126.1	58%	0.583	72%	0.724	S	S	*	*			trans	-89.7	122.6	158	38.8	0	0	0	0	107.6	K36	K36-T38 VanDerWaalsContact C-N 3.28Å; K36-T38 HydrophobicContact CB-CG2 4.26Å; K36-T38 HydrophobicContact CD-CG2 4.25Å; K36-T38 PolarHBondContact O-N 3.16Å; K36-T38 VanDerWaalsContact O-N 3.13Å
39	D	28.2	Very low	32.7	Very low	155 Å²	155	132.7 Å²	132.7	83%	0.829	75%	0.749	S	S	*	*	S	Bend	trans	80	97.2	154.8	-48.1	-28	0	0	0	118
40	G	26.6	Very low	31.5	Very low	77 Å²	77	135.9 Å²	135.9	79%	0.794	77%	0.766	S	S	*	*				61.9	100.1	113.8	0	0	0	0	0	117.7	S42	G40-S42 PolarHBondContact O-N 3.28Å; G40-S42 VanDerWaalsContact O-N 3.13Å
41	F	30.4	Very low	30.3	Very low	217 Å²	217	137.9 Å²	137.9	95%	0.952	78%	0.778	S	S	*	*	S	Bend	trans	-67.4	101.1	154.2	-82.7	-89.4	0	0	0	110
42	S	29.3	Very low	29.6	Very low	114 Å²	114	141 Å²	141	80%	0.797	79%	0.793	S	S	*	*			trans	152.2	115.9	136.2	-69.1	0	0	0	0	110.6	G40	G40-S42 PolarHBondContact O-N 3.28Å; G40-S42 VanDerWaalsContact O-N 3.13Å
43	D	26.6	Very low	28.7	Very low	166 Å²	166	141.4 Å²	141.4	89%	0.888	79%	0.794	S	S	*	*			trans	-60.4	131.6	163	-83.3	-42.9	0	0	0	110.8
44	L	28.9	Very low	27.9	Very low	179 Å²	179	139.4 Å²	139.4	94%	0.937	80%	0.798	S	S	*	*			trans	-165.1	144.1	138.2	-99	163.7	0	0	0	109.7
45	A	27.5	Very low	27.2	Very low	93 Å²	93	138 Å²	138	77%	0.769	81%	0.805	S	S	*	*			trans	-76.8	174.7	-155.1	0	0	0	0	0	116.8
46	P	27.7	Very low	26.7	Very low	131 Å²	131	135.4 Å²	135.4	85%	0.851	81%	0.811	S	S	*	*			trans	-101.4	157.4	-146.8	38.8	-34.8	0	0	0	115.4
47	G	22.9	Very low	26.3	Very low	68 Å²	68	139.3 Å²	139.3	70%	0.701	82%	0.822	S	S	*	*			trans	154.6	97.9	157.5	0	0	0	0	0	114.2
48	L	24.3	Very low	26.1	Very low	177 Å²	177	141.9 Å²	141.9	93%	0.927	83%	0.825	S	S	*	*				168.7	153.6	102.6	-127.8	84.4	0	0	0	110.5
49	E	22.8	Very low	25.9	Very low	186 Å²	186	142.5 Å²	142.5	87%	0.869	83%	0.833	S	S	*	*			trans	-67.4	152.6	-166.5	-62.3	175.7	133.4	0	0	116.3
50	L	22.8	Very low	25.8	Very low	160 Å²	160	147 Å²	147	84%	0.838	84%	0.838	S	S	*	*			trans	-57.9	143.7	158.5	-113	92.9	0	0	0	111.6
51	L	26.2	Very low	25.6	Very low	167 Å²	167	152.4 Å²	152.4	87%	0.874	84%	0.843	S	S	*	*				-152.1	153	128.3	-94.4	178	0	0	0	110.3
52	P	27.8	Very low	25.4	Very low	94 Å²	94	146.3 Å²	146.3	61%	0.61	83%	0.832	S	S	*	*			trans	-104.8	-178	-167.1	24.6	-4.1	0	0	0	112.4
53	I	25.1	Very low	25.2	Very low	141 Å²	141	147.3 Å²	147.3	72%	0.723	83%	0.834	S	S	*	*			trans	126.7	128.1	136.5	-63.9	-178.7	0	0	0	116.3
54	L	23.9	Very low	25.2	Very low	165 Å²	165	143.8 Å²	143.8	86%	0.864	83%	0.828	S	S	*	*			trans	74.3	108.7	151.3	-76.6	156.4	0	0	0	121.6
55	G	23	Very low	24.9	Very low	79 Å²	79	140.8 Å²	140.8	81%	0.814	82%	0.822	S	S	*	*				91.3	114.8	91.7	0	0	0	0	0	117.4
56	G	25.8	Very low	25.4	Very low	82 Å²	82	141.6 Å²	141.6	85%	0.845	82%	0.819	S	S	*	*			trans	178.6	82.6	166.1	0	0	0	0	0	114.4
57	R	23.6	Very low	25.4	Very low	246 Å²	246	142.5 Å²	142.5	93%	0.928	82%	0.822	S	S	*	*			trans	-62.4	135.8	160.3	-88.4	175.6	168.5	170.9	-4.2	109.3
58	M	26.2	Very low	25.5	Very low	188 Å²	188	147.5 Å²	147.5	93%	0.926	83%	0.827	S	S	*	*			trans	-156	122.2	141.8	-113.1	174.7	78.3	0	0	111.7
59	S	23.8	Very low	25.6	Very low	107 Å²	107	144.1 Å²	144.1	75%	0.748	83%	0.825	S	S	*	*			trans	-80	150.5	175.9	-25.8	0	0	0	0	110.9
60	R	26.8	Very low	25.9	Very low	250 Å²	250	146.5 Å²	146.5	94%	0.943	83%	0.826	S	S	*	*			trans	-159.5	119.9	143.5	-118.3	173.6	170.2	-178.1	-4.1	112.6
61	E	23.1	Very low	26.2	Very low	190 Å²	190	144.4 Å²	144.4	89%	0.888	82%	0.822	S	S	*	*			trans	-72.7	153.4	168	-67.6	163.9	126.1	0	0	112.2
62	A	25.8	Very low	26.4	Very low	89 Å²	89	145.9 Å²	145.9	74%	0.736	82%	0.824	S	S	*	*			trans	-179.1	97.9	139	0	0	0	0	0	109
63	T	25.5	Very low	26.4	Very low	135 Å²	135	145.3 Å²	145.3	83%	0.828	84%	0.836	S	S	*	*				76.3	102.8	96.7	53.2	0	0	0	0	117.7
64	A	25.6	Very low	26.5	Very low	93 Å²	93	141.8 Å²	141.8	77%	0.769	83%	0.834	S	S	*	*				60.2	111.2	126.6	0	0	0	0	0	123.8
65	S	23.3	Very low	27.4	Very low	115 Å²	115	141.9 Å²	141.9	80%	0.804	84%	0.835	S	S	*	*				15.1	172.2	116.9	-61.7	0	0	0	0	122.3
66	P	38.4	Very low	27.7	Very low	111 Å²	111	144.1 Å²	144.1	72%	0.721	83%	0.833	S	S	*	*			cis	-136.9	171	-20.9	29.4	-8	0	0	0	114.6
67	V	26.5	Very low	27.9	Very low	149 Å²	149	148.7 Å²	148.7	90%	0.903	83%	0.83	S	S	*	*			trans	-132.6	120.1	152.3	178.6	0	0	0	0	110.2
68	Q	25.8	Very low	28.2	Very low	173 Å²	173	141.2 Å²	141.2	81%	0.808	82%	0.821	S	S	*	*			trans	-85.5	140.3	169.3	-75.6	173	-25.2	0	0	110.4
69	A	26.2	Very low	28.8	Very low	106 Å²	106	135.7 Å²	135.7	88%	0.876	80%	0.797	S	S	*	*			trans	-147.6	136.1	142.8	0	0	0	0	0	109.8
70	R	28.2	Very low	29.7	Very low	236 Å²	236	136.5 Å²	136.5	89%	0.891	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-82.9	168.2	-161	-97.4	179.4	-179.5	174.5	-0.1	114.6
71	P	29.2	Very low	30.7	Very low	117 Å²	117	128.2 Å²	128.2	76%	0.76	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-89.7	150.2	-163.2	36.2	-33.3	0	0	0	112.9
72	Q	30.5	Very low	32.9	Very low	197 Å²	197	121 Å²	121	92%	0.921	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-102.2	120.1	157.9	-76.2	-167.6	-0.2	0	0	109.1
73	G	29	Very low	35	Very low	83 Å²	83	118.1 Å²	118.1	86%	0.856	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-71.2	136	170.3	0	0	0	0	0	110.9
74	G	27.3	Very low	37.1	Very low	66 Å²	66	112 Å²	112	68%	0.68	68%	0.679	S	S	*	*			trans	-155.4	87.8	168.7	0	0	0	0	0	107.2	T76	G74-T76 PolarHBondContact O-N 3.32Å
75	N	41.5	Very low	38.7	Very low	167 Å²	167	112.2 Å²	112.2	89%	0.893	67%	0.672	S	S	*	*			trans	-65.3	101.6	172	-116.8	-5.2	0	0	0	108.3
76	T	30.9	Very low	40.8	Very low	127 Å²	127	114.6 Å²	114.6	78%	0.779	67%	0.671	S	S	*	*			trans	-154.2	82.4	155.9	22.3	0	0	0	0	105.9	G74 A78	G74-T76 PolarHBondContact O-N 3.32Å; T76-A78 PolarHBondContact O-N 3.18Å
77	K	29.5	Very low	42.5	Very low	178 Å²	178	111.1 Å²	111.1	77%	0.774	66%	0.655	S	S	*	*			trans	-65.3	88.1	161.7	-87.2	-174.2	174.6	-178.9	0	106.6	V79	K77-V79 VanDerWaalsContact C-N 3.26Å; K77-V79 PolarHBondContact O-N 3.26Å
78	A	29	Very low	45.3	Very low	88 Å²	88	107.4 Å²	107.4	73%	0.727	63%	0.633	S	S	*	*			trans	-61.3	100.9	155	0	0	0	0	0	105.4	T76 L80	T76-A78 PolarHBondContact O-N 3.18Å; A78-L80 VanDerWaalsContact C-N 3.26Å; A78-L80 PolarHBondContact O-N 2.72Å
79	V	38.5	Very low	48.6	Very low	73 Å²	73	99.8 Å²	99.8	44%	0.442	60%	0.597	S	S	.	*			trans	-63.1	100.2	164	178.6	0	0	0	0	104	K77 S81 L444	K77-V79 VanDerWaalsContact C-N 3.26Å; K77-V79 PolarHBondContact O-N 3.26Å; V79-S81 PolarHBondContact O-N 3.16Å; V79-L444 HydrophobicContact CG1-CD1 4.24Å
80	L	43	Very low	51.9	Low	124 Å²	124	95.3 Å²	95.3	65%	0.649	56%	0.558	S	S	*	*			trans	-50.6	114.3	168.2	-79.6	160.3	0	0	0	105.6	A78 N82 T245	A78-L80 VanDerWaalsContact C-N 3.26Å; A78-L80 PolarHBondContact O-N 2.72Å; L80-N82 PolarHBondContact O-N 3.38Å; L80-T245 HydrophobicContact CD1-CG2 4.4Å
81	S	48.7	Very low	55.2	Low	75 Å²	75	85.8 Å²	85.8	52%	0.524	52%	0.523	S	S	.	.			trans	-62.7	110.2	177	-175.5	0	0	0	0	106.8	V79 S83	V79-S81 PolarHBondContact O-N 3.16Å; S81-S83 PolarHBondContact O-N 3.41Å; S81-S83 PolarHBondContact OG-OG 2.86Å
82	N	69.7	Low	58.4	Low	40 Å²	40	80.6 Å²	80.6	21%	0.214	49%	0.488	C	S	.	.			trans	-74.3	37.1	174.7	-79.9	-5.1	0	0	0	111.1	L80 Y91 D92	L80-N82 PolarHBondContact O-N 3.38Å; N82-Y91 WeakPolarHBondContact O-CB 3.25Å; N82-Y91 WeakPolarHBondContact O-CD2 3.3Å; N82-Y91 PolarHBondContact O-N 2.61Å; N82-D92 PolarHBondContact ND2-OD1 2.63Å
83	S	69.9	Low	61.7	Low	28 Å²	28	71.4 Å²	71.4	20%	0.196	45%	0.445	C	S	.	.	B	Isolated β-bridge	trans	-110.2	150.9	177.6	63.2	0	0	0	0	111.1	S81 I89	S81-S83 PolarHBondContact O-N 3.41Å; S81-S83 PolarHBondContact OG-OG 2.86Å; S83-I89 CarbonylContact C-O 3.49Å; S83-I89 WeakPolarHBondContact CA-O 3.19Å; S83-I89 WeakPolarHBondContact CB-O 3.36Å
84	G	68.3	Low	65	Low	6 Å²	6	67.4 Å²	67.4	6%	0.062	41%	0.405	C	S	.	.			trans	-68.2	178.5	177.2	0	0	0	0	0	113.4	E86 G87 I89	G84-E86 PolarHBondContact O-N 2.94Å; G84-G87 PolarHBondContact O-N 3.28Å; G84-I89 PolarHBondContact N-O 3.13Å
85	P	59.3	Low	68.4	Low	98 Å²	98	64.3 Å²	64.3	64%	0.636	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-6.2	-167.8	-26.7	35.6	0	0	0	117.9
86	E	68	Low	71.1	Confident	165 Å²	165	56.3 Å²	56.3	77%	0.771	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.4	11.2	176.7	-61.6	-174.7	165.1	0	0	113.2	G84 T88	G84-E86 PolarHBondContact O-N 2.94Å; E86-T88 HydrophobicContact CB-CG2 3.92Å; E86-T88 PolarHBondContact O-N 3.36Å
87	G	73.3	Confident	74.4	Confident	38 Å²	38	50.3 Å²	50.3	39%	0.392	29%	0.293	S	S	.	.	S	Bend	trans	70	12.9	-173.3	0	0	0	0	0	114.1	G84	G84-G87 PolarHBondContact O-N 3.28Å
88	T	85.6	Confident	77.7	Confident	71 Å²	71	41.9 Å²	41.9	44%	0.436	26%	0.256	S	S	.	.			trans	-92.8	-18.1	-174.9	49.9	0	0	0	0	114	E86 A170	E86-T88 HydrophobicContact CB-CG2 3.92Å; E86-T88 PolarHBondContact O-N 3.36Å; T88-A170 WeakPolarHBondContact O-CB 3.31Å
89	I	94.7	Very high	81	Confident	13 Å²	13	38.2 Å²	38.2	7%	0.067	22%	0.224	C	C	.	.	S	Bend	trans	-123.7	141.8	-178.1	-69.7	168.2	0	0	0	108.5	S83 G84 Y91 L207	S83-I89 CarbonylContact C-O 3.49Å; S83-I89 WeakPolarHBondContact CA-O 3.19Å; S83-I89 WeakPolarHBondContact CB-O 3.36Å; G84-I89 PolarHBondContact N-O 3.13Å; I89-Y91 HydrophobicContact CG2-CE1 4.25Å; I89-L207 HydrophobicContact CD1-CD2 4.04Å; I89-L207 HydrophobicContact CG2-CD2 4.21Å
90	F	96.9	Very high	83.8	Confident	12 Å²	12	36.7 Å²	36.7	5%	0.053	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	113.6	-178.4	-55.3	-72.9	0	0	0	111.5	D92 V93 A170 G172 A433 E434 N437	F90-D92 PolarHBondContact O-N 3.33Å; F90-V93 HydrophobicContact CB-CB 4.44Å; F90-V93 HydrophobicContact CB-CG2 3.98Å; F90-V93 PolarHBondContact O-N 2.86Å; F90-A170 HydrophobicContact CD2-CB 3.85Å; F90-A170 HydrophobicContact CE2-CB 3.95Å; F90-A170 PolarHBondContact N-O 3.42Å; F90-G172 WeakPolarHBondContact O-CA 3.24Å; F90-G172 PolarHBondContact O-N 2.85Å; F90-A433 HydrophobicContact CD2-CB 3.64Å; F90-A433 HydrophobicContact CE2-CB 4.1Å; F90-E434 HydrophobicContact CE2-CB 4.46Å; F90-E434 HydrophobicContact CE2-CG 3.9Å; F90-E434 HydrophobicContact CZ-CG 4.12Å; F90-N437 HydrophobicContact CD1-CB 3.53Å; F90-N437 HydrophobicContact CE1-CB 3.45Å; F90-N437 VanDerWaalsContact CE1-CB 3.45Å; F90-N437 VanDerWaalsContact CE1-ND2 3.3Å; F90-N437 WeakPolarHBondContact CE1-ND2 3.13Å; F90-N437 HydrophobicContact CG-CB 4.24Å; F90-N437 HydrophobicContact CZ-CB 4.07Å
91	Y	97.1	Very high	86.5	Confident	36 Å²	36	30.9 Å²	30.9	14%	0.141	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-0.5	-179.1	-60	-54.9	0	0	0	114.3	N82 I89 H94 G172 V173 S206 K208 Y242	N82-Y91 WeakPolarHBondContact O-CB 3.25Å; N82-Y91 WeakPolarHBondContact O-CD2 3.3Å; N82-Y91 PolarHBondContact O-N 2.61Å; I89-Y91 HydrophobicContact CG2-CE1 4.25Å; Y91-H94 PolarHBondContact O-CD2 3.46Å; Y91-H94 PolarHBondContact O-NE2 3.41Å; Y91-G172 WeakPolarHBondContact CD1-O 3.11Å; Y91-V173 HydrophobicContact CD1-CG2 4.34Å; Y91-V173 WeakPolarHBondContact O-CG2 3.39Å; Y91-S206 WeakPolarHBondContact CE1-O 3.49Å; Y91-S206 PolarHBondContact OH-O 2.62Å; Y91-K208 HydrophobicContact CD1-CG 3.77Å; Y91-K208 HydrophobicContact CE1-CG 3.61Å; Y91-Y242 PolarHBondContact O-OH 3.22Å
92	D	96.6	Very high	88.8	Confident	8 Å²	8	27.3 Å²	27.3	4%	0.043	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-1	169.8	-60.8	-45.7	0	0	0	112.3	N82 F90 I386 V387 F436 K440	N82-D92 PolarHBondContact ND2-OD1 2.63Å; F90-D92 PolarHBondContact O-N 3.33Å; D92-I386 VanDerWaalsContact O-CA 3.32Å; D92-I386 WeakPolarHBondContact O-CA 3.35Å; D92-I386 WeakPolarHBondContact O-CG2 3.38Å; D92-V387 PolarHBondContact O-N 3.28Å; D92-F436 HydrophobicContact CB-CE1 3.87Å; D92-K440 IonicContact OD1-NZ 2.61Å; D92-K440 PolarHBondContact OD1-NZ 3.3Å; D92-K440 IonicContact OD2-NZ 2.64Å; D92-K440 PolarHBondContact OD2-NZ 3.22Å
93	V	98.6	Very high	90.2	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	109	174.4	-178.3	0	0	0	0	108	F90 A171 G172 V173 V387 I389 A433 F436	F90-V93 HydrophobicContact CB-CB 4.44Å; F90-V93 HydrophobicContact CB-CG2 3.98Å; F90-V93 PolarHBondContact O-N 2.86Å; V93-A171 HydrophobicContact CB-CB 4.48Å; V93-A171 HydrophobicContact CG1-CB 3.88Å; V93-G172 PolarHBondContact O-N 3.33Å; V93-G172 VanDerWaalsContact O-N 3.12Å; V93-V173 PolarHBondContact O-N 3.45Å; V93-V387 HydrophobicContact CB-CG1 4.39Å; V93-V387 HydrophobicContact CG1-CG1 4.27Å; V93-V387 HydrophobicContact CG2-CG1 3.95Å; V93-I389 HydrophobicContact CG1-CD1 3.69Å; V93-I389 HydrophobicContact CG1-CG1 4.44Å; V93-A433 HydrophobicContact CG2-CB 3.95Å; V93-F436 HydrophobicContact CG2-CD1 4.08Å
94	H	98.9	Very high	91.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	150.5	-177.1	-69.7	-160.1	0	0	0	110	Y91 V173 V175 Y242 Y256 I386 V387 T388 I389	Y91-H94 PolarHBondContact O-CD2 3.46Å; Y91-H94 PolarHBondContact O-NE2 3.41Å; H94-V173 CarbonylContact C-O 3.59Å; H94-V173 VanDerWaalsContact CA-O 3.24Å; H94-V173 WeakPolarHBondContact CA-O 3.34Å; H94-V173 HydrophobicContact CB-CB 4.4Å; H94-V173 VanDerWaalsContact CD2-CB 3.48Å; H94-V173 WeakPolarHBondContact CD2-CB 3.16Å; H94-V173 VanDerWaalsContact CD2-CG2 3.48Å; H94-V173 WeakPolarHBondContact CD2-CG2 3.48Å; H94-V175 HydrophobicContact CB-CG2 3.81Å; H94-Y242 AromaticContact CE1-CE1 3.64Å; H94-Y242 AromaticContact CE1-CZ 3.67Å; H94-Y242 AromaticContact NE2-CE1 3.93Å; H94-Y242 AromaticContact NE2-CZ 3.46Å; H94-Y242 PolarHBondContact NE2-OH 2.97Å; H94-Y242 VanDerWaalsContact NE2-OH 3.15Å; H94-Y256 PolarHBondContact CE1-OH 3.22Å; H94-Y256 AromaticContact ND1-CE2 3.8Å; H94-Y256 AromaticContact ND1-CZ 3.69Å; H94-Y256 PolarHBondContact ND1-OH 3.48Å; H94-I386 HydrophobicContact CB-CG2 4.3Å; H94-V387 PolarHBondContact N-O 2.87Å; H94-T388 HydrophobicContact CB-CG2 3.68Å; H94-T388 CarbonylContact O-C 3.43Å; H94-T388 VanDerWaalsContact O-CA 3.29Å; H94-T388 WeakPolarHBondContact O-CA 3.3Å; H94-I389 PolarHBondContact O-N 3.31Å
95	I	98.9	Very high	92.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	126.4	-179.7	-173.3	165.6	0	0	0	111.8	I166 A171 V173 L174 V175 I389 F392 I401	I95-I166 HydrophobicContact CG2-CG2 4.07Å; I95-A171 HydrophobicContact CB-CB 4.34Å; I95-A171 HydrophobicContact CG2-CB 4.06Å; I95-V173 PolarHBondContact N-O 3.5Å; I95-L174 HydrophobicContact CG2-CB 4.36Å; I95-L174 CarbonylContact O-C 3.56Å; I95-L174 WeakPolarHBondContact O-CA 3.4Å; I95-V175 PolarHBondContact O-N 2.82Å; I95-I389 HydrophobicContact CB-CB 4.15Å; I95-I389 HydrophobicContact CB-CD1 4.43Å; I95-I389 HydrophobicContact CD1-CB 4.25Å; I95-I389 HydrophobicContact CD1-CD1 4.39Å; I95-I389 HydrophobicContact CD1-CG2 4.07Å; I95-I389 HydrophobicContact CG1-CB 3.89Å; I95-I389 HydrophobicContact CG1-CG2 4.09Å; I95-F392 HydrophobicContact CD1-CB 3.64Å; I95-F392 HydrophobicContact CD1-CD2 4.07Å; I95-F392 HydrophobicContact CD1-CG 4.35Å; I95-F392 HydrophobicContact CG1-CB 3.77Å; I95-I401 HydrophobicContact CD1-CD1 3.38Å; I95-I401 HydrophobicContact CD1-CG1 3.78Å
96	F	98.9	Very high	94.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	132	179.1	-65.7	-68.2	0	0	0	111.4	Y98 V175 Q212 Y256 Y311 Y313 T388 I389 T390 F392	F96-Y98 HydrophobicContact CB-CE2 4.21Å; F96-V175 HydrophobicContact CD1-CB 3.78Å; F96-V175 HydrophobicContact CD1-CG1 3.82Å; F96-V175 HydrophobicContact CD1-CG2 4.5Å; F96-V175 HydrophobicContact CE1-CB 4.1Å; F96-V175 HydrophobicContact CE1-CG1 3.8Å; F96-Q212 HydrophobicContact CD1-CB 4.46Å; F96-Q212 HydrophobicContact CE1-CB 4.47Å; F96-Q212 HydrophobicContact CE1-CG 4.45Å; F96-Y256 HydrophobicContact CE1-CD1 4.49Å; F96-Y256 HydrophobicContact CE1-CG 4.35Å; F96-Y256 HydrophobicContact CZ-CD1 4.44Å; F96-Y311 HydrophobicContact CE1-CE2 4.01Å; F96-Y311 HydrophobicContact CE2-CD2 4.31Å; F96-Y311 HydrophobicContact CE2-CE2 4.24Å; F96-Y311 AromaticContact CZ-CD2 3.61Å; F96-Y311 HydrophobicContact CZ-CD2 3.61Å; F96-Y311 AromaticContact CZ-CE2 3.42Å; F96-Y311 HydrophobicContact CZ-CE2 3.42Å; F96-Y311 VanDerWaalsContact CZ-CE2 3.42Å; F96-Y313 HydrophobicContact CD2-CD2 4.13Å; F96-Y313 HydrophobicContact CD2-CE2 4.32Å; F96-Y313 AromaticContact CE2-CD2 3.96Å; F96-Y313 HydrophobicContact CE2-CD2 3.96Å; F96-Y313 HydrophobicContact CG-CE2 4.39Å; F96-Y313 HydrophobicContact CZ-CD2 4.22Å; F96-T388 HydrophobicContact CE2-CG2 4.26Å; F96-T388 HydrophobicContact CZ-CG2 4.1Å; F96-I389 WeakPolarHBondContact CD2-O 3.33Å; F96-I389 PolarHBondContact N-O 2.88Å; F96-T390 VanDerWaalsContact CD2-OG1 3.32Å; F96-T390 WeakPolarHBondContact CD2-OG1 3.27Å; F96-T390 WeakPolarHBondContact CE2-OG1 3.39Å; F96-F392 WeakPolarHBondContact O-CB 3.31Å; F96-F392 PolarHBondContact O-N 3.38Å
97	Y	98.9	Very high	95.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	136.6	-169.8	-178.3	-111.2	0	0	0	111.8	T99 H162 I166 L174 V175 L176 S177 V198 F392	Y97-T99 HydrophobicContact CD1-CG2 3.96Å; Y97-T99 HydrophobicContact CE1-CG2 3.31Å; Y97-H162 HydrophobicContact CE2-CB 4.23Å; Y97-H162 AromaticContact CE2-ND1 3.81Å; Y97-H162 AromaticContact CZ-ND1 3.78Å; Y97-H162 PolarHBondContact OH-ND1 3.12Å; Y97-I166 HydrophobicContact CD2-CD1 4.29Å; Y97-L174 HydrophobicContact CD1-CD1 3.71Å; Y97-L174 HydrophobicContact CE1-CD1 4.3Å; Y97-L174 HydrophobicContact CG-CD1 4.2Å; Y97-V175 PolarHBondContact N-O 3.27Å; Y97-L176 HydrophobicContact CD1-CD1 3.86Å; Y97-L176 HydrophobicContact CE1-CD1 4.37Å; Y97-S177 WeakPolarHBondContact O-CB 3.41Å; Y97-S177 PolarHBondContact O-N 2.91Å; Y97-V198 HydrophobicContact CE1-CG1 4.45Å; Y97-F392 HydrophobicContact CD2-CB 4.09Å; Y97-F392 AromaticContact CD2-CD1 3.39Å; Y97-F392 HydrophobicContact CD2-CD1 3.39Å; Y97-F392 HydrophobicContact CD2-CE1 4.15Å; Y97-F392 HydrophobicContact CD2-CG 4.01Å; Y97-F392 AromaticContact CE2-CD1 3.49Å; Y97-F392 HydrophobicContact CE2-CD1 3.49Å; Y97-F392 VanDerWaalsContact CE2-CD1 3.49Å; Y97-F392 AromaticContact CE2-CE1 3.78Å; Y97-F392 HydrophobicContact CE2-CE1 3.78Å; Y97-F392 HydrophobicContact CE2-CG 4.47Å
98	Y	98.8	Very high	97.1	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.008	17%	0.168	C	C	.	.			trans	-123.6	130.8	-172.9	-61.3	-93.4	0	0	0	111.1	F96 W100 Y313 N393 E394	F96-Y98 HydrophobicContact CB-CE2 4.21Å; Y98-W100 HydrophobicContact CD1-CD2 4.13Å; Y98-W100 AromaticContact CD1-CE2 3.9Å; Y98-W100 HydrophobicContact CD1-CE3 4.16Å; Y98-W100 AromaticContact CD1-CH2 3.75Å; Y98-W100 HydrophobicContact CD1-CH2 3.75Å; Y98-W100 AromaticContact CD1-CZ2 3.74Å; Y98-W100 HydrophobicContact CD1-CZ2 3.74Å; Y98-W100 AromaticContact CD1-CZ3 3.97Å; Y98-W100 HydrophobicContact CD1-CZ3 3.97Å; Y98-W100 AromaticContact CE1-CH2 3.97Å; Y98-W100 HydrophobicContact CE1-CH2 3.97Å; Y98-W100 HydrophobicContact CE1-CZ2 4.3Å; Y98-W100 HydrophobicContact CE1-CZ3 4.3Å; Y98-W100 HydrophobicContact CG-CZ2 4.23Å; Y98-Y313 WeakPolarHBondContact OH-CE2 3.45Å; Y98-Y313 PolarHBondContact OH-OH 2.91Å; Y98-N393 PolarHBondContact N-OD1 3.35Å; Y98-N393 PolarHBondContact O-ND2 2.74Å; Y98-E394 VanDerWaalsContact CD1-OE2 3.31Å; Y98-E394 WeakPolarHBondContact CD1-OE2 3.37Å; Y98-E394 HydrophobicContact CD2-CB 4.04Å; Y98-E394 WeakPolarHBondContact CD2-OE2 3.48Å; Y98-E394 VanDerWaalsContact CE1-OE2 3.26Å; Y98-E394 WeakPolarHBondContact CE1-OE2 3.48Å; Y98-E394 HydrophobicContact CE2-CB 3.7Å; Y98-E394 HydrophobicContact CE2-CG 4.32Å; Y98-E394 WeakPolarHBondContact CE2-OE2 3.42Å; Y98-E394 VanDerWaalsContact CZ-OE2 3.26Å
99	T	98.2	Very high	97.7	Very high	10 Å²	10	31.3 Å²	31.3	6%	0.061	17%	0.169	C	C	.	.			trans	-114.7	26.6	-177.9	51.9	0	0	0	0	113.1	Y97 S153 L176 V198	Y97-T99 HydrophobicContact CD1-CG2 3.96Å; Y97-T99 HydrophobicContact CE1-CG2 3.31Å; T99-S153 VanDerWaalsContact C-OG 3.24Å; T99-S153 WeakPolarHBondContact CA-OG 3.39Å; T99-S153 WeakPolarHBondContact O-CB 3.49Å; T99-S153 PolarHBondContact O-OG 3.46Å; T99-L176 HydrophobicContact CG2-CD1 3.55Å; T99-V198 HydrophobicContact CG2-CG2 3.87Å
100	W	98	Very high	97.9	Very high	41 Å²	41	33.1 Å²	33.1	16%	0.155	18%	0.175	C	C	.	.			trans	-96.6	2.1	-171.9	60.6	18.4	0	0	0	114.4	Y98 H112 E394 H396	Y98-W100 HydrophobicContact CD1-CD2 4.13Å; Y98-W100 AromaticContact CD1-CE2 3.9Å; Y98-W100 HydrophobicContact CD1-CE3 4.16Å; Y98-W100 AromaticContact CD1-CH2 3.75Å; Y98-W100 HydrophobicContact CD1-CH2 3.75Å; Y98-W100 AromaticContact CD1-CZ2 3.74Å; Y98-W100 HydrophobicContact CD1-CZ2 3.74Å; Y98-W100 AromaticContact CD1-CZ3 3.97Å; Y98-W100 HydrophobicContact CD1-CZ3 3.97Å; Y98-W100 AromaticContact CE1-CH2 3.97Å; Y98-W100 HydrophobicContact CE1-CH2 3.97Å; Y98-W100 HydrophobicContact CE1-CZ2 4.3Å; Y98-W100 HydrophobicContact CE1-CZ3 4.3Å; Y98-W100 HydrophobicContact CG-CZ2 4.23Å; W100-H112 VanDerWaalsContact CB-CD2 3.44Å; W100-H112 WeakPolarHBondContact CB-CD2 3.31Å; W100-H112 WeakPolarHBondContact CB-NE2 3.35Å; W100-H112 AromaticContact CD1-CD2 3.82Å; W100-H112 AromaticContact CD1-CG 3.56Å; W100-H112 AromaticContact CD1-ND1 3.77Å; W100-H112 AromaticContact CD2-CD2 3.93Å; W100-H112 AromaticContact CD2-CE1 3.19Å; W100-H112 AromaticContact CD2-CG 3.93Å; W100-H112 AromaticContact CD2-ND1 3.48Å; W100-H112 AromaticContact CD2-NE2 3.49Å; W100-H112 AromaticContact CE2-CE1 3.59Å; W100-H112 AromaticContact CE2-ND1 3.44Å; W100-H112 AromaticContact CE3-CE1 3.26Å; W100-H112 AromaticContact CE3-ND1 3.98Å; W100-H112 AromaticContact CE3-NE2 3.61Å; W100-H112 HydrophobicContact CG-CB 4.45Å; W100-H112 AromaticContact CG-CD2 3.45Å; W100-H112 VanDerWaalsContact CG-CD2 3.45Å; W100-H112 AromaticContact CG-CE1 3.6Å; W100-H112 AromaticContact CG-CG 3.61Å; W100-H112 AromaticContact CG-ND1 3.7Å; W100-H112 AromaticContact CG-NE2 3.45Å; W100-H112 AromaticContact CZ2-ND1 3.91Å; W100-H112 AromaticContact CZ3-CE1 3.76Å; W100-H112 AromaticContact NE1-CG 3.83Å; W100-H112 AromaticContact NE1-ND1 3.62Å; W100-H112 PolarHBondContact O-CD2 2.92Å; W100-E394 WeakPolarHBondContact CH2-OE2 3.31Å; W100-E394 VanDerWaalsContact CZ2-CD 3.48Å; W100-E394 VanDerWaalsContact CZ2-OE1 3.3Å; W100-E394 WeakPolarHBondContact CZ2-OE1 3.28Å; W100-E394 WeakPolarHBondContact CZ2-OE2 3.48Å; W100-H396 AromaticContact CE2-NE2 3.99Å; W100-H396 AromaticContact CZ2-CD2 3.6Å; W100-H396 AromaticContact CZ2-NE2 3.93Å; W100-H396 AromaticContact NE1-NE2 3.81Å
101	Y	98.6	Very high	97.9	Very high	3 Å²	3	33.1 Å²	33.1	1%	0.012	18%	0.176	C	C	.	.			trans	-83.2	135.7	-175.5	-61.9	-72.1	0	0	0	110.7	H112 W113 Y151 S152 S153 N393 W395 H396	Y101-H112 HydrophobicContact CD1-CB 3.73Å; Y101-H112 HydrophobicContact CE1-CB 3.99Å; Y101-W113 AromaticContact CD1-CD2 3.81Å; Y101-W113 HydrophobicContact CD1-CD2 3.81Å; Y101-W113 AromaticContact CD1-CE2 3.46Å; Y101-W113 VanDerWaalsContact CD1-CE2 3.46Å; Y101-W113 HydrophobicContact CD1-CE3 4.1Å; Y101-W113 HydrophobicContact CD1-CG 4.47Å; Y101-W113 AromaticContact CD1-CH2 3.76Å; Y101-W113 HydrophobicContact CD1-CH2 3.76Å; Y101-W113 AromaticContact CD1-CZ2 3.45Å; Y101-W113 HydrophobicContact CD1-CZ2 3.45Å; Y101-W113 VanDerWaalsContact CD1-CZ2 3.45Å; Y101-W113 HydrophobicContact CD1-CZ3 4.08Å; Y101-W113 AromaticContact CD1-NE1 3.96Å; Y101-W113 HydrophobicContact CD2-CZ2 4.34Å; Y101-W113 HydrophobicContact CE1-CD2 4.38Å; Y101-W113 HydrophobicContact CE1-CE3 4.2Å; Y101-W113 AromaticContact CE1-CH2 3.81Å; Y101-W113 HydrophobicContact CE1-CH2 3.81Å; Y101-W113 HydrophobicContact CE1-CZ2 4.02Å; Y101-W113 AromaticContact CE1-CZ3 3.92Å; Y101-W113 HydrophobicContact CE1-CZ3 3.92Å; Y101-W113 AromaticContact CG-CE2 3.86Å; Y101-W113 HydrophobicContact CG-CH2 4.23Å; Y101-W113 AromaticContact CG-CZ2 3.64Å; Y101-W113 HydrophobicContact CG-CZ2 3.64Å; Y101-Y151 AromaticContact CD2-CE2 3.65Å; Y101-Y151 HydrophobicContact CD2-CE2 3.65Å; Y101-Y151 AromaticContact CG-CE2 3.94Å; Y101-Y151 HydrophobicContact CG-CE2 3.94Å; Y101-S152 CarbonylContact O-C 2.95Å; Y101-S152 WeakPolarHBondContact O-CA 3.27Å; Y101-S153 PolarHBondContact N-OG 3.32Å; Y101-S153 PolarHBondContact O-N 2.94Å; Y101-S153 PolarHBondContact O-OG 2.89Å; Y101-N393 HydrophobicContact CE2-CB 4.5Å; Y101-N393 WeakPolarHBondContact CE2-O 3.19Å; Y101-N393 PolarHBondContact OH-O 2.84Å; Y101-W395 HydrophobicContact CE1-CB 4.5Å; Y101-W395 AromaticContact CZ-CD1 3.75Å; Y101-W395 PolarHBondContact OH-N 2.82Å; Y101-W395 VanDerWaalsContact OH-N 3.11Å; Y101-H396 AromaticContact CE1-CE1 3.88Å; Y101-H396 AromaticContact CE1-NE2 3.89Å
102	G	98.4	Very high	98	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-131.4	149.8	-179.9	0	0	0	0	0	112.9	D107 Y110 I111 W113	G102-D107 VanDerWaalsContact CA-OD2 3.24Å; G102-D107 WeakPolarHBondContact CA-OD2 3.37Å; G102-Y110 WeakPolarHBondContact O-CA 3.48Å; G102-I111 PolarHBondContact N-O 3.02Å; G102-I111 PolarHBondContact O-N 3.31Å; G102-I111 VanDerWaalsContact O-N 3.15Å; G102-W113 VanDerWaalsContact O-CD1 3.29Å
103	S	98	Very high	98.1	Very high	16 Å²	16	31.1 Å²	31.1	11%	0.112	17%	0.167	C	C	.	.			trans	-126	151	179.1	76	0	0	0	0	111.4	H105 M106 D107 K109	S103-H105 PolarHBondContact O-N 2.83Å; S103-H105 VanDerWaalsContact O-N 3.12Å; S103-M106 PolarHBondContact O-N 2.85Å; S103-D107 PolarHBondContact N-OD2 3.47Å; S103-D107 WeakPolarHBondContact O-CA 3.45Å; S103-D107 WeakPolarHBondContact O-CB 3.36Å; S103-D107 PolarHBondContact O-N 3.36Å; S103-K109 CarbonylContact C-O 3.56Å; S103-K109 PolarHBondContact N-O 3.11Å
104	P	97.5	Very high	98	Very high	60 Å²	60	32.1 Å²	32.1	39%	0.39	17%	0.173	S	C	.	.	H	α-helix	trans	-56.9	-32	-179.5	-28.1	34.8	0	0	0	115.1	G108 Y110	P104-G108 VanDerWaalsContact O-CA 3.26Å; P104-G108 WeakPolarHBondContact O-CA 3.44Å; P104-G108 PolarHBondContact O-N 3.32Å; P104-Y110 VanDerWaalsContact CD-CZ 3.41Å; P104-Y110 HydrophobicContact CG-CD1 4.34Å; P104-Y110 HydrophobicContact CG-CD2 3.65Å; P104-Y110 HydrophobicContact CG-CE1 4.14Å; P104-Y110 HydrophobicContact CG-CE2 3.41Å; P104-Y110 VanDerWaalsContact CG-CE2 3.41Å; P104-Y110 HydrophobicContact CG-CG 4.12Å
105	H	95.8	Very high	98	Very high	171 Å²	171	32.8 Å²	32.8	79%	0.792	18%	0.176	S	C	*	.	H	α-helix	trans	-69.8	-40	-178.2	178.7	-93.1	0	0	0	112.6	S103	S103-H105 PolarHBondContact O-N 2.83Å; S103-H105 VanDerWaalsContact O-N 3.12Å
106	M	95.6	Very high	97.9	Very high	78 Å²	78	36.2 Å²	36.2	38%	0.384	19%	0.193	S	C	.	.	H	α-helix	trans	-97.7	-36.5	-175.3	-66.6	-64.1	-74	0	0	112.7	S103 D155	S103-M106 PolarHBondContact O-N 2.85Å; M106-D155 HydrophobicContact CE-CB 4.43Å
107	D	97.6	Very high	97.7	Very high	33 Å²	33	37.6 Å²	37.6	18%	0.176	20%	0.201	C	C	.	.	H	α-helix	trans	-113.4	-2.2	-168.6	-49.3	-89.8	0	0	0	112.4	G102 S103 K109 I111 S152 R154	G102-D107 VanDerWaalsContact CA-OD2 3.24Å; G102-D107 WeakPolarHBondContact CA-OD2 3.37Å; S103-D107 PolarHBondContact N-OD2 3.47Å; S103-D107 WeakPolarHBondContact O-CA 3.45Å; S103-D107 WeakPolarHBondContact O-CB 3.36Å; S103-D107 PolarHBondContact O-N 3.36Å; D107-K109 PolarHBondContact O-N 2.76Å; D107-K109 VanDerWaalsContact O-N 3.13Å; D107-I111 HydrophobicContact CB-CD1 4.01Å; D107-S152 PolarHBondContact OD1-OG 2.89Å; D107-S152 WeakPolarHBondContact OD2-CB 3.48Å; D107-S152 PolarHBondContact OD2-OG 2.69Å; D107-R154 WeakPolarHBondContact OD1-CD 3.17Å; D107-R154 WeakPolarHBondContact OD1-CG 3.5Å; D107-R154 IonicContact OD1-NE 2.71Å
108	G	97.6	Very high	97.6	Very high	66 Å²	66	39.6 Å²	39.6	68%	0.68	21%	0.213	S	C	*	.	S	Bend	trans	76.3	-12.6	-177.7	0	0	0	0	0	114.8	P104	P104-G108 VanDerWaalsContact O-CA 3.26Å; P104-G108 WeakPolarHBondContact O-CA 3.44Å; P104-G108 PolarHBondContact O-N 3.32Å
109	K	97.7	Very high	97.4	Very high	105 Å²	105	43.3 Å²	43.3	46%	0.457	24%	0.237	S	C	.	.	S	Bend	trans	-155.4	168.6	173.6	59.5	179.1	178.4	-178.5	0	111.1	S103 D107 I111 E189	S103-K109 CarbonylContact C-O 3.56Å; S103-K109 PolarHBondContact N-O 3.11Å; D107-K109 PolarHBondContact O-N 2.76Å; D107-K109 VanDerWaalsContact O-N 3.13Å; K109-I111 HydrophobicContact CG-CG1 4.13Å; K109-E189 WeakPolarHBondContact CE-OE1 3.46Å; K109-E189 IonicContact NZ-OE1 3.81Å; K109-E189 PolarHBondContact NZ-OE1 3.04Å
110	Y	98.3	Very high	97.2	Very high	51 Å²	51	44.2 Å²	44.2	20%	0.2	24%	0.241	C	C	.	.			trans	-70.1	142.1	163.3	-70.2	-71.7	0	0	0	110.1	G102 P104 W113 P136 S150	G102-Y110 WeakPolarHBondContact O-CA 3.48Å; P104-Y110 VanDerWaalsContact CD-CZ 3.41Å; P104-Y110 HydrophobicContact CG-CD1 4.34Å; P104-Y110 HydrophobicContact CG-CD2 3.65Å; P104-Y110 HydrophobicContact CG-CE1 4.14Å; P104-Y110 HydrophobicContact CG-CE2 3.41Å; P104-Y110 VanDerWaalsContact CG-CE2 3.41Å; P104-Y110 HydrophobicContact CG-CG 4.12Å; Y110-W113 HydrophobicContact CD1-CB 4.17Å; Y110-W113 HydrophobicContact CD1-CG 4.49Å; Y110-P136 HydrophobicContact CD1-CB 3.75Å; Y110-P136 HydrophobicContact CD1-CG 4.16Å; Y110-P136 HydrophobicContact CD2-CB 3.72Å; Y110-P136 HydrophobicContact CD2-CG 4.11Å; Y110-P136 HydrophobicContact CE1-CB 3.72Å; Y110-P136 HydrophobicContact CE2-CB 3.68Å; Y110-P136 HydrophobicContact CG-CB 3.75Å; Y110-P136 HydrophobicContact CG-CG 3.9Å; Y110-S150 WeakPolarHBondContact CE1-OG 3.2Å
111	I	98.3	Very high	97	Very high	13 Å²	13	51.5 Å²	51.5	7%	0.067	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-134.4	135.8	173.4	-46.2	175	0	0	0	106.4	G102 D107 K109 W113 E189	G102-I111 PolarHBondContact N-O 3.02Å; G102-I111 PolarHBondContact O-N 3.31Å; G102-I111 VanDerWaalsContact O-N 3.15Å; D107-I111 HydrophobicContact CB-CD1 4.01Å; K109-I111 HydrophobicContact CG-CG1 4.13Å; I111-W113 PolarHBondContact O-N 2.75Å; I111-E189 HydrophobicContact CD1-CB 4.29Å; I111-E189 HydrophobicContact CD1-CG 4.03Å; I111-E189 HydrophobicContact CG2-CG 4.33Å
112	H	98.2	Very high	96.8	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	28%	0.283	C	S	.	.	S	Bend	trans	61.5	-41.3	-171.2	-81.8	-92.8	0	0	0	115.8	W100 Y101 D114 H115 A141 D185 G188 H396	W100-H112 VanDerWaalsContact CB-CD2 3.44Å; W100-H112 WeakPolarHBondContact CB-CD2 3.31Å; W100-H112 WeakPolarHBondContact CB-NE2 3.35Å; W100-H112 AromaticContact CD1-CD2 3.82Å; W100-H112 AromaticContact CD1-CG 3.56Å; W100-H112 AromaticContact CD1-ND1 3.77Å; W100-H112 AromaticContact CD2-CD2 3.93Å; W100-H112 AromaticContact CD2-CE1 3.19Å; W100-H112 AromaticContact CD2-CG 3.93Å; W100-H112 AromaticContact CD2-ND1 3.48Å; W100-H112 AromaticContact CD2-NE2 3.49Å; W100-H112 AromaticContact CE2-CE1 3.59Å; W100-H112 AromaticContact CE2-ND1 3.44Å; W100-H112 AromaticContact CE3-CE1 3.26Å; W100-H112 AromaticContact CE3-ND1 3.98Å; W100-H112 AromaticContact CE3-NE2 3.61Å; W100-H112 HydrophobicContact CG-CB 4.45Å; W100-H112 AromaticContact CG-CD2 3.45Å; W100-H112 VanDerWaalsContact CG-CD2 3.45Å; W100-H112 AromaticContact CG-CE1 3.6Å; W100-H112 AromaticContact CG-CG 3.61Å; W100-H112 AromaticContact CG-ND1 3.7Å; W100-H112 AromaticContact CG-NE2 3.45Å; W100-H112 AromaticContact CZ2-ND1 3.91Å; W100-H112 AromaticContact CZ3-CE1 3.76Å; W100-H112 AromaticContact NE1-CG 3.83Å; W100-H112 AromaticContact NE1-ND1 3.62Å; W100-H112 PolarHBondContact O-CD2 2.92Å; Y101-H112 HydrophobicContact CD1-CB 3.73Å; Y101-H112 HydrophobicContact CE1-CB 3.99Å; H112-D114 PolarHBondContact O-N 3.23Å; H112-H115 WeakPolarHBondContact O-CB 3.32Å; H112-H115 PolarHBondContact O-N 3.21Å; H112-A141 WeakPolarHBondContact O-CB 3.4Å; H112-D185 IonicContact CE1-OD1 3.77Å; H112-D185 PolarHBondContact CE1-OD1 2.67Å; H112-D185 IonicContact CE1-OD2 3.02Å; H112-D185 PolarHBondContact CE1-OD2 3.48Å; H112-D185 IonicContact NE2-OD1 2.75Å; H112-D185 IonicContact NE2-OD2 3.56Å; H112-D185 PolarHBondContact NE2-OD2 3.14Å; H112-G188 WeakPolarHBondContact NE2-CA 3.47Å; H112-H396 AromaticContact CG-NE2 3.62Å; H112-H396 AromaticContact ND1-CD2 3.83Å; H112-H396 AromaticContact ND1-NE2 3Å; H112-H396 PolarHBondContact ND1-NE2 2.75Å; H112-H396 PolarHBondContact O-CE1 3.03Å
113	W	98.6	Very high	96.5	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-33	177.1	-64.6	123	0	0	0	113	Y101 G102 Y110 I111 H115 P136 I140 A141 P146 S150 Y151 W395	Y101-W113 AromaticContact CD1-CD2 3.81Å; Y101-W113 HydrophobicContact CD1-CD2 3.81Å; Y101-W113 AromaticContact CD1-CE2 3.46Å; Y101-W113 VanDerWaalsContact CD1-CE2 3.46Å; Y101-W113 HydrophobicContact CD1-CE3 4.1Å; Y101-W113 HydrophobicContact CD1-CG 4.47Å; Y101-W113 AromaticContact CD1-CH2 3.76Å; Y101-W113 HydrophobicContact CD1-CH2 3.76Å; Y101-W113 AromaticContact CD1-CZ2 3.45Å; Y101-W113 HydrophobicContact CD1-CZ2 3.45Å; Y101-W113 VanDerWaalsContact CD1-CZ2 3.45Å; Y101-W113 HydrophobicContact CD1-CZ3 4.08Å; Y101-W113 AromaticContact CD1-NE1 3.96Å; Y101-W113 HydrophobicContact CD2-CZ2 4.34Å; Y101-W113 HydrophobicContact CE1-CD2 4.38Å; Y101-W113 HydrophobicContact CE1-CE3 4.2Å; Y101-W113 AromaticContact CE1-CH2 3.81Å; Y101-W113 HydrophobicContact CE1-CH2 3.81Å; Y101-W113 HydrophobicContact CE1-CZ2 4.02Å; Y101-W113 AromaticContact CE1-CZ3 3.92Å; Y101-W113 HydrophobicContact CE1-CZ3 3.92Å; Y101-W113 AromaticContact CG-CE2 3.86Å; Y101-W113 HydrophobicContact CG-CH2 4.23Å; Y101-W113 AromaticContact CG-CZ2 3.64Å; Y101-W113 HydrophobicContact CG-CZ2 3.64Å; G102-W113 VanDerWaalsContact O-CD1 3.29Å; Y110-W113 HydrophobicContact CD1-CB 4.17Å; Y110-W113 HydrophobicContact CD1-CG 4.49Å; I111-W113 PolarHBondContact O-N 2.75Å; W113-H115 VanDerWaalsContact C-N 3.31Å; W113-H115 PolarHBondContact O-N 3.09Å; W113-P136 VanDerWaalsContact C-CG 3.47Å; W113-P136 HydrophobicContact CB-CB 4.27Å; W113-P136 HydrophobicContact CB-CG 3.66Å; W113-P136 WeakPolarHBondContact O-CG 3.44Å; W113-I140 HydrophobicContact CB-CG2 4.43Å; W113-I140 HydrophobicContact CE3-CB 4.2Å; W113-I140 HydrophobicContact CE3-CD1 4.01Å; W113-I140 HydrophobicContact CZ3-CD1 4.01Å; W113-I140 CarbonylContact O-C 3.44Å; W113-I140 WeakPolarHBondContact O-CA 3.4Å; W113-A141 WeakPolarHBondContact O-CB 3.43Å; W113-A141 PolarHBondContact O-N 3.27Å; W113-P146 HydrophobicContact CH2-CG 3.45Å; W113-P146 VanDerWaalsContact CH2-CG 3.45Å; W113-P146 HydrophobicContact CZ2-CG 4.24Å; W113-P146 HydrophobicContact CZ3-CG 3.85Å; W113-S150 VanDerWaalsContact NE1-C 3.25Å; W113-Y151 HydrophobicContact CH2-CD1 4.45Å; W113-Y151 HydrophobicContact CH2-CE1 4.02Å; W113-Y151 AromaticContact CZ2-CD1 3.81Å; W113-Y151 HydrophobicContact CZ2-CD1 3.81Å; W113-Y151 HydrophobicContact CZ2-CD2 4.12Å; W113-Y151 AromaticContact CZ2-CE1 3.71Å; W113-Y151 HydrophobicContact CZ2-CE1 3.71Å; W113-Y151 AromaticContact CZ2-CE2 4Å; W113-Y151 HydrophobicContact CZ2-CE2 4Å; W113-Y151 HydrophobicContact CZ2-CG 4.05Å; W113-Y151 AromaticContact CZ2-CZ 3.83Å; W113-Y151 PolarHBondContact NE1-O 2.92Å; W113-W395 HydrophobicContact CH2-CB 4.33Å; W113-W395 AromaticContact CH2-CD1 3.62Å; W113-W395 HydrophobicContact CH2-CD2 4.45Å; W113-W395 AromaticContact CH2-CG 3.89Å; W113-W395 HydrophobicContact CH2-CG 3.89Å; W113-W395 HydrophobicContact CZ3-CB 3.97Å; W113-W395 AromaticContact CZ3-CG 3.96Å; W113-W395 HydrophobicContact CZ3-CG 3.96Å
114	D	97.8	Very high	96.3	Very high	25 Å²	25	66.4 Å²	66.4	13%	0.134	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	30.6	176.7	66.9	-21.3	0	0	0	111.4	H112 K133 P136	H112-D114 PolarHBondContact O-N 3.23Å; D114-K133 WeakPolarHBondContact O-CD 3.46Å; D114-K133 WeakPolarHBondContact O-CE 3.43Å; D114-K133 WeakPolarHBondContact O-CG 3.41Å; D114-K133 IonicContact OD1-NZ 2.69Å; D114-K133 WeakPolarHBondContact OD2-CE 3.38Å; D114-K133 IonicContact OD2-NZ 3.07Å; D114-K133 PolarHBondContact OD2-NZ 3.4Å; D114-P136 HydrophobicContact CB-CG 3.84Å
115	H	98.1	Very high	96	Very high	13 Å²	13	65.8 Å²	65.8	6%	0.06	34%	0.339	C	S	.	.			trans	-53.1	151.8	-178	-156.9	-79.5	0	0	0	113.7	H112 W113 H134 A141 N187 I355	H112-H115 WeakPolarHBondContact O-CB 3.32Å; H112-H115 PolarHBondContact O-N 3.21Å; W113-H115 VanDerWaalsContact C-N 3.31Å; W113-H115 PolarHBondContact O-N 3.09Å; H115-H134 PolarHBondContact O-CD2 3.41Å; H115-H134 PolarHBondContact O-N 2.87Å; H115-A141 HydrophobicContact CB-CB 3.28Å; H115-N187 WeakPolarHBondContact NE2-CB 2.99Å; H115-N187 PolarHBondContact NE2-ND2 2.88Å; H115-I355 HydrophobicContact CB-CG2 3.81Å
116	I	96.6	Very high	95.9	Very high	72 Å²	72	57.9 Å²	57.9	37%	0.369	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-75	155.6	172.5	64.8	171.5	0	0	0	112.1	V118 G132 K133 N187	I116-V118 PolarHBondContact O-N 3.32Å; I116-G132 WeakPolarHBondContact CA-O 3.43Å; I116-K133 HydrophobicContact CG2-CB 4.36Å; I116-K133 HydrophobicContact CG2-CD 4.43Å; I116-K133 HydrophobicContact CG2-CG 4.14Å; I116-N187 WeakPolarHBondContact CG1-OD1 2.67Å
117	L	96.3	Very high	95.7	Very high	30 Å²	30	58.3 Å²	58.3	16%	0.157	32%	0.315	C	S	.	.			trans	-77	110.7	165	-75.2	77.4	0	0	0	108.4	P119 P130 G132 I355 P357	L117-P119 WeakPolarHBondContact O-CD 3.43Å; L117-P130 HydrophobicContact CD2-CB 3.95Å; L117-P130 HydrophobicContact CD2-CG 3.75Å; L117-G132 PolarHBondContact N-O 2.91Å; L117-I355 CarbonylContact C-O 3.44Å; L117-P357 HydrophobicContact CD2-CG 3.94Å
118	V	95.6	Very high	95.6	Very high	42 Å²	42	61.3 Å²	61.3	26%	0.255	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-68.4	120.4	-177.2	-177.9	0	0	0	0	109.1	I116 I355 R356 W358	I116-V118 PolarHBondContact O-N 3.32Å; V118-I355 PolarHBondContact N-O 3.17Å; V118-R356 HydrophobicContact CB-CG 4.24Å; V118-W358 HydrophobicContact CG1-CZ2 4.48Å; V118-W358 PolarHBondContact O-NE1 2.82Å
119	P	94.3	Very high	95.3	Very high	80 Å²	80	62.4 Å²	62.4	52%	0.519	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-68.2	148.4	178.3	28.7	-34	0	0	0	110.9	L117 A126	L117-P119 WeakPolarHBondContact O-CD 3.43Å; P119-A126 HydrophobicContact CB-CB 4.31Å
120	H	95.4	Very high	95	Very high	28 Å²	28	61.3 Å²	61.3	13%	0.13	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-64.8	145.7	168.5	-172	-83.2	0	0	0	109.9	D122 V125 A126 W358	H120-D122 VanDerWaalsContact C-N 3.35Å; H120-D122 WeakPolarHBondContact ND1-CB 3.11Å; H120-D122 PolarHBondContact ND1-N 3.36Å; H120-D122 PolarHBondContact O-N 3.41Å; H120-V125 HydrophobicContact CB-CB 4.22Å; H120-V125 HydrophobicContact CB-CG1 3.96Å; H120-A126 HydrophobicContact CB-CB 4.17Å; H120-A126 WeakPolarHBondContact O-CB 3.32Å; H120-W358 HydrophobicContact CB-CB 4.44Å; H120-W358 HydrophobicContact CB-CD2 4.22Å; H120-W358 HydrophobicContact CB-CG 3.9Å; H120-W358 AromaticContact CD2-CD2 3.71Å; H120-W358 AromaticContact CD2-CE3 3.79Å; H120-W358 AromaticContact CD2-CG 3.82Å
121	W	92.7	Very high	94.7	Very high	195 Å²	195	67.9 Å²	67.9	74%	0.739	35%	0.35	S	S	*	.	S	Bend	trans	-65	-35.2	-177.4	59.1	91	0	0	0	113.2	P123 W358	W121-P123 VanDerWaalsContact O-CD 3.27Å; W121-P123 WeakPolarHBondContact O-CD 3.08Å; W121-W358 HydrophobicContact CE3-CH2 4.33Å; W121-W358 HydrophobicContact CE3-CZ3 4.46Å; W121-W358 HydrophobicContact CH2-CZ3 4.26Å; W121-W358 HydrophobicContact CZ3-CE3 4.12Å; W121-W358 AromaticContact CZ3-CH2 3.77Å; W121-W358 HydrophobicContact CZ3-CH2 3.77Å; W121-W358 AromaticContact CZ3-CZ3 3.54Å; W121-W358 HydrophobicContact CZ3-CZ3 3.54Å
122	D	93.9	Very high	94.5	Very high	61 Å²	61	69.3 Å²	69.3	33%	0.326	37%	0.368	S	S	.	.	S	Bend	trans	-73.7	114.5	168.1	-176.9	-15.1	0	0	0	110.2	H120 K124 V125 A126	H120-D122 VanDerWaalsContact C-N 3.35Å; H120-D122 WeakPolarHBondContact ND1-CB 3.11Å; H120-D122 PolarHBondContact ND1-N 3.36Å; H120-D122 PolarHBondContact O-N 3.41Å; D122-K124 PolarHBondContact O-N 3.13Å; D122-K124 WeakPolarHBondContact OD1-CB 3.23Å; D122-K124 PolarHBondContact OD1-N 3.29Å; D122-V125 HydrophobicContact CB-CB 4.2Å; D122-V125 HydrophobicContact CB-CG2 3.98Å; D122-V125 PolarHBondContact O-N 2.86Å; D122-V125 VanDerWaalsContact O-N 3.12Å; D122-A126 PolarHBondContact O-N 2.52Å
123	P	92.7	Very high	94.4	Very high	102 Å²	102	74.8 Å²	74.8	66%	0.662	39%	0.392	S	S	*	.	H	α-helix	trans	-59.1	-29.1	-179.3	-24.4	35.4	0	0	0	114	W121 A126 S127	W121-P123 VanDerWaalsContact O-CD 3.27Å; W121-P123 WeakPolarHBondContact O-CD 3.08Å; P123-A126 PolarHBondContact O-N 2.88Å; P123-S127 PolarHBondContact O-N 2.97Å; P123-S127 VanDerWaalsContact O-N 3.1Å
124	K	93.7	Very high	94.3	Very high	168 Å²	168	75.5 Å²	75.5	73%	0.73	40%	0.395	S	S	*	.	H	α-helix	trans	-68.2	-44.7	178.1	-65.1	179.9	-179.8	174.9	0	110.6	D122 S127	D122-K124 PolarHBondContact O-N 3.13Å; D122-K124 WeakPolarHBondContact OD1-CB 3.23Å; D122-K124 PolarHBondContact OD1-N 3.29Å; K124-S127 PolarHBondContact O-N 3.15Å; K124-S127 PolarHBondContact O-OG 2.94Å
125	V	92.5	Very high	94.3	Very high	47 Å²	47	81.3 Å²	81.3	29%	0.285	42%	0.424	S	S	.	.	H	α-helix	trans	-67	-43.1	175.3	179.7	0	0	0	0	110.1	H120 D122 S127 S128 Y129	H120-V125 HydrophobicContact CB-CB 4.22Å; H120-V125 HydrophobicContact CB-CG1 3.96Å; D122-V125 HydrophobicContact CB-CB 4.2Å; D122-V125 HydrophobicContact CB-CG2 3.98Å; D122-V125 PolarHBondContact O-N 2.86Å; D122-V125 VanDerWaalsContact O-N 3.12Å; V125-S127 PolarHBondContact O-N 2.83Å; V125-S128 WeakPolarHBondContact O-CB 3.34Å; V125-S128 PolarHBondContact O-N 3.03Å; V125-Y129 HydrophobicContact CG1-CD2 4.2Å; V125-Y129 HydrophobicContact CG1-CE2 3.68Å; V125-Y129 VanDerWaalsContact O-CD2 3.29Å; V125-Y129 WeakPolarHBondContact O-CD2 3.41Å
126	A	92.7	Very high	94.2	Very high	5 Å²	5	81.7 Å²	81.7	4%	0.041	43%	0.427	C	S	.	.	H	α-helix	trans	-59.5	-30.5	179.9	0	0	0	0	0	113.5	P119 H120 D122 P123 S128 Y129	P119-A126 HydrophobicContact CB-CB 4.31Å; H120-A126 HydrophobicContact CB-CB 4.17Å; H120-A126 WeakPolarHBondContact O-CB 3.32Å; D122-A126 PolarHBondContact O-N 2.52Å; P123-A126 PolarHBondContact O-N 2.88Å; A126-S128 PolarHBondContact O-N 2.74Å; A126-Y129 PolarHBondContact O-N 2.74Å
127	S	92.2	Very high	94.2	Very high	88 Å²	88	81 Å²	81	62%	0.615	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-19	177	74.2	0	0	0	0	114	P123 K124 V125	P123-S127 PolarHBondContact O-N 2.97Å; P123-S127 VanDerWaalsContact O-N 3.1Å; K124-S127 PolarHBondContact O-N 3.15Å; K124-S127 PolarHBondContact O-OG 2.94Å; V125-S127 PolarHBondContact O-N 2.83Å
128	S	93.6	Very high	94.1	Very high	95 Å²	95	83.8 Å²	83.8	66%	0.664	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-4	-179.9	-56.1	0	0	0	0	113.8	V125 A126	V125-S128 WeakPolarHBondContact O-CB 3.34Å; V125-S128 PolarHBondContact O-N 3.03Å; A126-S128 PolarHBondContact O-N 2.74Å
129	Y	92.9	Very high	94.2	Very high	89 Å²	89	84 Å²	84	35%	0.349	44%	0.439	S	S	.	.	S	Bend	trans	-117.3	150.2	-177.3	-69.7	-74.7	0	0	0	111.8	V125 A126 P357 W358	V125-Y129 HydrophobicContact CG1-CD2 4.2Å; V125-Y129 HydrophobicContact CG1-CE2 3.68Å; V125-Y129 VanDerWaalsContact O-CD2 3.29Å; V125-Y129 WeakPolarHBondContact O-CD2 3.41Å; A126-Y129 PolarHBondContact O-N 2.74Å; Y129-P357 HydrophobicContact CD1-CB 3.54Å; Y129-P357 HydrophobicContact CE1-CB 4.21Å; Y129-P357 WeakPolarHBondContact CE1-O 3.34Å; Y129-P357 HydrophobicContact CG-CB 4.19Å; Y129-W358 HydrophobicContact CD1-CB 4.49Å; Y129-W358 HydrophobicContact CD2-CB 3.81Å; Y129-W358 HydrophobicContact CE1-CB 4.13Å; Y129-W358 HydrophobicContact CE2-CB 3.43Å; Y129-W358 VanDerWaalsContact CE2-CB 3.43Å; Y129-W358 HydrophobicContact CG-CB 4.33Å; Y129-W358 VanDerWaalsContact CZ-CA 3.44Å
130	P	91.1	Very high	94.3	Very high	83 Å²	83	80.1 Å²	80.1	54%	0.539	41%	0.414	S	S	.	.			trans	-61.8	150.4	177.8	25.2	-32.7	0	0	0	111.2	L117 P357	L117-P130 HydrophobicContact CD2-CB 3.95Å; L117-P130 HydrophobicContact CD2-CG 3.75Å; P130-P357 HydrophobicContact CG-CG 4.18Å
131	R	92.6	Very high	94.5	Very high	189 Å²	189	78.8 Å²	78.8	71%	0.713	41%	0.408	S	S	*	.			trans	-120	154.2	172.3	-62.6	-178.5	-176.1	178	-1.1	108.7
132	G	94.1	Very high	94.7	Very high	43 Å²	43	69.5 Å²	69.5	44%	0.443	37%	0.373	S	S	.	.			trans	147.2	-163	176.5	0	0	0	0	0	111.1	I116 L117	I116-G132 WeakPolarHBondContact CA-O 3.43Å; L117-G132 PolarHBondContact N-O 2.91Å
133	K	95.4	Very high	95	Very high	115 Å²	115	67 Å²	67	50%	0.5	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-135.5	140.1	-178.8	-169.7	177.6	179.4	-175.4	0	107.5	D114 I116	D114-K133 WeakPolarHBondContact O-CD 3.46Å; D114-K133 WeakPolarHBondContact O-CE 3.43Å; D114-K133 WeakPolarHBondContact O-CG 3.41Å; D114-K133 IonicContact OD1-NZ 2.69Å; D114-K133 WeakPolarHBondContact OD2-CE 3.38Å; D114-K133 IonicContact OD2-NZ 3.07Å; D114-K133 PolarHBondContact OD2-NZ 3.4Å; I116-K133 HydrophobicContact CG2-CB 4.36Å; I116-K133 HydrophobicContact CG2-CD 4.43Å; I116-K133 HydrophobicContact CG2-CG 4.14Å
134	H	97.2	Very high	95.2	Very high	15 Å²	15	62.5 Å²	62.5	7%	0.069	33%	0.33	C	S	.	.			trans	-63.7	152	174.7	-76.7	-71.4	0	0	0	111.2	H115 P136 D139 I140 A141 S354 R412	H115-H134 PolarHBondContact O-CD2 3.41Å; H115-H134 PolarHBondContact O-N 2.87Å; H134-P136 WeakPolarHBondContact O-CD 3.49Å; H134-D139 WeakPolarHBondContact CA-OD2 3.37Å; H134-D139 WeakPolarHBondContact CB-O 3.22Å; H134-D139 IonicContact CE1-OD1 2.76Å; H134-D139 IonicContact CG-OD2 3.22Å; H134-D139 IonicContact ND1-OD1 2.82Å; H134-D139 PolarHBondContact ND1-OD1 2.79Å; H134-D139 IonicContact ND1-OD2 2.88Å; H134-D139 PolarHBondContact ND1-OD2 3.22Å; H134-I140 PolarHBondContact ND1-O 3.42Å; H134-A141 HydrophobicContact CB-CB 4.38Å; H134-A141 WeakPolarHBondContact CD2-CA 3.47Å; H134-S354 PolarHBondContact NE2-O 3.32Å; H134-R412 PolarHBondContact CE1-NH1 3.28Å
135	M	96.5	Very high	95.5	Very high	148 Å²	148	54.6 Å²	54.6	73%	0.729	30%	0.295	S	S	*	.			trans	-121.4	83.8	-179.6	-70	-175.9	53.7	0	0	112.2	D139	M135-D139 CarbonylContact C-O 3.49Å; M135-D139 PolarHBondContact N-O 2.82Å; M135-D139 PolarHBondContact N-OD2 3.02Å; M135-D139 PolarHBondContact O-N 3.1Å
136	P	97.1	Very high	95.8	Very high	21 Å²	21	52.3 Å²	52.3	14%	0.136	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	156.9	177.3	-22.8	34.6	0	0	0	112.4	Y110 W113 D114 H134 D139 I140	Y110-P136 HydrophobicContact CD1-CB 3.75Å; Y110-P136 HydrophobicContact CD1-CG 4.16Å; Y110-P136 HydrophobicContact CD2-CB 3.72Å; Y110-P136 HydrophobicContact CD2-CG 4.11Å; Y110-P136 HydrophobicContact CE1-CB 3.72Å; Y110-P136 HydrophobicContact CE2-CB 3.68Å; Y110-P136 HydrophobicContact CG-CB 3.75Å; Y110-P136 HydrophobicContact CG-CG 3.9Å; W113-P136 VanDerWaalsContact C-CG 3.47Å; W113-P136 HydrophobicContact CB-CB 4.27Å; W113-P136 HydrophobicContact CB-CG 3.66Å; W113-P136 WeakPolarHBondContact O-CG 3.44Å; D114-P136 HydrophobicContact CB-CG 3.84Å; H134-P136 WeakPolarHBondContact O-CD 3.49Å; P136-D139 WeakPolarHBondContact CD-O 3.18Å; P136-I140 HydrophobicContact CB-CG2 3.99Å; P136-I140 HydrophobicContact CG-CG2 4.17Å
137	P	95.4	Very high	96.1	Very high	56 Å²	56	55.4 Å²	55.4	36%	0.364	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	cis	-86.2	-18.4	8.5	32.5	-35	0	0	0	114.6	Y145	P137-Y145 WeakPolarHBondContact O-CE2 3.36Å; P137-Y145 PolarHBondContact O-OH 3.29Å
138	E	94.5	Very high	96.3	Very high	90 Å²	90	53.5 Å²	53.5	42%	0.421	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-28.6	-172.8	-65.7	-60.1	137.2	0	0	113.2	K407 T409 Y414	E138-K407 VanDerWaalsContact CD-NZ 3.34Å; E138-K407 IonicContact OE1-NZ 3.01Å; E138-K407 PolarHBondContact OE1-NZ 2.84Å; E138-K407 WeakPolarHBondContact OE2-CE 3.42Å; E138-K407 IonicContact OE2-NZ 3.72Å; E138-K407 PolarHBondContact OE2-NZ 2.75Å; E138-T409 HydrophobicContact CB-CG2 4.14Å; E138-T409 WeakPolarHBondContact O-CG2 3.42Å; E138-T409 VanDerWaalsContact OE2-CG2 3.22Å; E138-T409 WeakPolarHBondContact OE2-CG2 3.26Å; E138-Y414 PolarHBondContact O-OH 2.81Å
139	D	96.9	Very high	96.5	Very high	45 Å²	45	52.7 Å²	52.7	24%	0.241	27%	0.266	C	S	.	.	S	Bend	trans	-117.1	99	173.5	179.5	40.4	0	0	0	110.6	H134 M135 P136 R412 Y414	H134-D139 WeakPolarHBondContact CA-OD2 3.37Å; H134-D139 WeakPolarHBondContact CB-O 3.22Å; H134-D139 IonicContact CE1-OD1 2.76Å; H134-D139 IonicContact CG-OD2 3.22Å; H134-D139 IonicContact ND1-OD1 2.82Å; H134-D139 PolarHBondContact ND1-OD1 2.79Å; H134-D139 IonicContact ND1-OD2 2.88Å; H134-D139 PolarHBondContact ND1-OD2 3.22Å; M135-D139 CarbonylContact C-O 3.49Å; M135-D139 PolarHBondContact N-O 2.82Å; M135-D139 PolarHBondContact N-OD2 3.02Å; M135-D139 PolarHBondContact O-N 3.1Å; P136-D139 WeakPolarHBondContact CD-O 3.18Å; D139-R412 IonicContact OD1-NH1 2.74Å; D139-R412 PolarHBondContact OD1-NH1 2.75Å; D139-Y414 VanDerWaalsContact CA-OH 3.31Å; D139-Y414 WeakPolarHBondContact CA-OH 2.96Å
140	I	98.1	Very high	96.8	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.254	C	S	.	.			trans	-105.1	156.6	177.4	66	169.2	0	0	0	111.5	W113 H134 P136 S142 Y145 P146 R412 Y414	W113-I140 HydrophobicContact CB-CG2 4.43Å; W113-I140 HydrophobicContact CE3-CB 4.2Å; W113-I140 HydrophobicContact CE3-CD1 4.01Å; W113-I140 HydrophobicContact CZ3-CD1 4.01Å; W113-I140 CarbonylContact O-C 3.44Å; W113-I140 WeakPolarHBondContact O-CA 3.4Å; H134-I140 PolarHBondContact ND1-O 3.42Å; P136-I140 HydrophobicContact CB-CG2 3.99Å; P136-I140 HydrophobicContact CG-CG2 4.17Å; I140-S142 PolarHBondContact O-N 2.9Å; I140-Y145 HydrophobicContact CD1-CD2 3.55Å; I140-Y145 HydrophobicContact CD1-CE2 3.82Å; I140-Y145 HydrophobicContact CD1-CG 4.25Å; I140-Y145 HydrophobicContact CG1-CD2 3.91Å; I140-Y145 HydrophobicContact CG1-CE2 4.05Å; I140-Y145 HydrophobicContact CG2-CE2 4.13Å; I140-P146 HydrophobicContact CD1-CG 4.46Å; I140-R412 PolarHBondContact O-NH1 3.38Å; I140-Y414 HydrophobicContact CD1-CE1 4.41Å; I140-Y414 HydrophobicContact CG1-CE1 3.69Å; I140-Y414 PolarHBondContact N-OH 2.93Å
141	A	98	Very high	97.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-72.3	53.2	174.4	0	0	0	0	0	113.7	H112 W113 H115 H134 I355 H396	H112-A141 WeakPolarHBondContact O-CB 3.4Å; W113-A141 WeakPolarHBondContact O-CB 3.43Å; W113-A141 PolarHBondContact O-N 3.27Å; H115-A141 HydrophobicContact CB-CB 3.28Å; H134-A141 HydrophobicContact CB-CB 4.38Å; H134-A141 WeakPolarHBondContact CD2-CA 3.47Å; A141-I355 HydrophobicContact CB-CG2 3.73Å; A141-H396 WeakPolarHBondContact O-CA 3.46Å; A141-H396 PolarHBondContact O-ND1 3.47Å
142	S	98.5	Very high	97.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-150.8	150.6	172.8	-177.1	0	0	0	0	110.5	I140 F144 S354 W395 R412 Y414	I140-S142 PolarHBondContact O-N 2.9Å; S142-F144 VanDerWaalsContact C-N 3.27Å; S142-F144 VanDerWaalsContact CB-O 3.24Å; S142-F144 WeakPolarHBondContact CB-O 3.44Å; S142-F144 PolarHBondContact OG-N 3.04Å; S142-F144 VanDerWaalsContact OG-N 3.13Å; S142-F144 PolarHBondContact OG-O 3.06Å; S142-F144 VanDerWaalsContact OG-O 3.13Å; S142-S354 WeakPolarHBondContact CA-OG 3.22Å; S142-S354 PolarHBondContact N-OG 3.24Å; S142-W395 VanDerWaalsContact CB-O 3.27Å; S142-W395 WeakPolarHBondContact CB-O 3.47Å; S142-W395 PolarHBondContact OG-O 3.24Å; S142-R412 PolarHBondContact O-NH2 3.1Å; S142-Y414 WeakPolarHBondContact O-CE1 3.32Å
143	S	98.6	Very high	97.6	Very high	8 Å²	8	34.6 Å²	34.6	6%	0.056	18%	0.175	C	C	.	.	S	Bend	trans	-75.8	-17.5	170.6	-55.6	0	0	0	0	112.9	I351 L415	S143-I351 PolarHBondContact OG-O 3.31Å; S143-L415 PolarHBondContact O-N 3.04Å
144	F	98.8	Very high	97.7	Very high	7 Å²	7	33.3 Å²	33.3	3%	0.031	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-113.9	170.8	176.2	-65.8	-96.1	0	0	0	109.9	S142 I351 R366 W395 Q400 A404 Y414 L415 Y417	S142-F144 VanDerWaalsContact C-N 3.27Å; S142-F144 VanDerWaalsContact CB-O 3.24Å; S142-F144 WeakPolarHBondContact CB-O 3.44Å; S142-F144 PolarHBondContact OG-N 3.04Å; S142-F144 VanDerWaalsContact OG-N 3.13Å; S142-F144 PolarHBondContact OG-O 3.06Å; S142-F144 VanDerWaalsContact OG-O 3.13Å; F144-I351 HydrophobicContact CD2-CG2 4.37Å; F144-I351 HydrophobicContact CE2-CG2 3.66Å; F144-R366 HydrophobicContact CZ-CG 4.46Å; F144-W395 HydrophobicContact CB-CE3 3.98Å; F144-W395 HydrophobicContact CB-CZ3 3.63Å; F144-Q400 VanDerWaalsContact CG-NE2 3.26Å; F144-A404 HydrophobicContact CB-CB 4.47Å; F144-Y414 WeakPolarHBondContact O-CD1 3.34Å; F144-L415 WeakPolarHBondContact CA-O 3.43Å; F144-L415 HydrophobicContact CD1-CB 3.68Å; F144-L415 WeakPolarHBondContact CD1-O 3.48Å; F144-L415 HydrophobicContact CD2-CB 4.37Å; F144-L415 HydrophobicContact CE1-CB 3.44Å; F144-L415 VanDerWaalsContact CE1-CB 3.44Å; F144-L415 HydrophobicContact CE2-CB 4.18Å; F144-L415 HydrophobicContact CE2-CD1 4.13Å; F144-L415 HydrophobicContact CG-CB 4.13Å; F144-L415 HydrophobicContact CZ-CB 3.7Å; F144-L415 HydrophobicContact CZ-CD1 3.98Å; F144-Y417 HydrophobicContact CD1-CD1 4.22Å; F144-Y417 AromaticContact CD1-CE1 3.7Å; F144-Y417 HydrophobicContact CD1-CE1 3.7Å; F144-Y417 HydrophobicContact CE1-CD1 4.02Å; F144-Y417 AromaticContact CE1-CE1 3.72Å; F144-Y417 HydrophobicContact CE1-CE1 3.72Å
145	Y	98.6	Very high	97.8	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.008	18%	0.175	C	C	.	.			trans	-124.7	125.4	177.8	-156.9	-87.6	0	0	0	111.1	P137 I140 N149 A404 M405 K407 Y414	P137-Y145 WeakPolarHBondContact O-CE2 3.36Å; P137-Y145 PolarHBondContact O-OH 3.29Å; I140-Y145 HydrophobicContact CD1-CD2 3.55Å; I140-Y145 HydrophobicContact CD1-CE2 3.82Å; I140-Y145 HydrophobicContact CD1-CG 4.25Å; I140-Y145 HydrophobicContact CG1-CD2 3.91Å; I140-Y145 HydrophobicContact CG1-CE2 4.05Å; I140-Y145 HydrophobicContact CG2-CE2 4.13Å; Y145-N149 HydrophobicContact CE1-CB 4.36Å; Y145-A404 CarbonylContact O-C 3.56Å; Y145-A404 VanDerWaalsContact O-CA 3.27Å; Y145-A404 WeakPolarHBondContact O-CA 3.36Å; Y145-A404 WeakPolarHBondContact O-CB 3.38Å; Y145-M405 HydrophobicContact CD1-CG 4.08Å; Y145-M405 HydrophobicContact CD1-SD 4.28Å; Y145-M405 PolarHBondContact O-N 3.41Å; Y145-K407 HydrophobicContact CD1-CB 4.17Å; Y145-K407 HydrophobicContact CD1-CD 4.43Å; Y145-K407 HydrophobicContact CD1-CG 4.2Å; Y145-K407 HydrophobicContact CD2-CB 4.25Å; Y145-K407 HydrophobicContact CD2-CG 3.9Å; Y145-K407 HydrophobicContact CE1-CD 4.39Å; Y145-K407 HydrophobicContact CE2-CG 4.25Å; Y145-K407 HydrophobicContact CG-CB 3.78Å; Y145-K407 HydrophobicContact CG-CG 3.87Å; Y145-Y414 HydrophobicContact CD2-CD1 4.23Å; Y145-Y414 HydrophobicContact CD2-CD2 4.18Å; Y145-Y414 AromaticContact CD2-CE1 3.96Å; Y145-Y414 HydrophobicContact CD2-CE1 3.96Å; Y145-Y414 AromaticContact CD2-CE2 3.91Å; Y145-Y414 HydrophobicContact CD2-CE2 3.91Å; Y145-Y414 HydrophobicContact CD2-CG 4.32Å; Y145-Y414 AromaticContact CD2-CZ 3.78Å; Y145-Y414 HydrophobicContact CE2-CE2 4.49Å
146	P	98.7	Very high	97.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-64.4	143.1	-179.8	-14.4	24.5	0	0	0	112.7	W113 I140 L148 N149 Y151 W395	W113-P146 HydrophobicContact CH2-CG 3.45Å; W113-P146 VanDerWaalsContact CH2-CG 3.45Å; W113-P146 HydrophobicContact CZ2-CG 4.24Å; W113-P146 HydrophobicContact CZ3-CG 3.85Å; I140-P146 HydrophobicContact CD1-CG 4.46Å; P146-L148 PolarHBondContact O-N 3.36Å; P146-N149 WeakPolarHBondContact CB-O 3.36Å; P146-N149 PolarHBondContact O-N 3.34Å; P146-Y151 HydrophobicContact CB-CD1 4.32Å; P146-Y151 HydrophobicContact CB-CE1 4.09Å; P146-Y151 HydrophobicContact CG-CE1 4.35Å; P146-W395 HydrophobicContact CB-CH2 3.82Å; P146-W395 HydrophobicContact CB-CZ2 3.53Å; P146-W395 HydrophobicContact CB-CZ3 4.38Å; P146-W395 HydrophobicContact CG-CD2 3.82Å; P146-W395 HydrophobicContact CG-CE3 4.02Å; P146-W395 HydrophobicContact CG-CG 4.47Å; P146-W395 HydrophobicContact CG-CH2 3.98Å; P146-W395 HydrophobicContact CG-CZ2 3.73Å; P146-W395 HydrophobicContact CG-CZ3 4.08Å
147	E	98.4	Very high	97.9	Very high	70 Å²	70	36.1 Å²	36.1	33%	0.327	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-34.4	169.5	-177	175.5	-104.5	0	0	111.4	N149 R403	E147-N149 PolarHBondContact O-N 3.25Å; E147-R403 HydrophobicContact CB-CB 3.88Å; E147-R403 PolarHBondContact N-O 3.42Å; E147-R403 WeakPolarHBondContact OE2-CD 3.37Å; E147-R403 IonicContact OE2-NH1 2.85Å
148	L	98.3	Very high	98	Very high	48 Å²	48	34 Å²	34	25%	0.251	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	7.8	175.8	-63.9	177.2	0	0	0	113.7	P146 Y151 V158	P146-L148 PolarHBondContact O-N 3.36Å; L148-Y151 HydrophobicContact CB-CD1 3.64Å; L148-Y151 HydrophobicContact CB-CE1 4.3Å; L148-Y151 HydrophobicContact CB-CG 4.37Å; L148-V158 HydrophobicContact CD1-CG1 4.26Å
149	N	97.8	Very high	98.2	Very high	78 Å²	78	30 Å²	30	42%	0.417	16%	0.156	S	C	.	.			trans	58.1	-161.7	-174.4	-57.7	-80.9	0	0	0	112.9	Y145 P146 E147 Y151	Y145-N149 HydrophobicContact CE1-CB 4.36Å; P146-N149 WeakPolarHBondContact CB-O 3.36Å; P146-N149 PolarHBondContact O-N 3.34Å; E147-N149 PolarHBondContact O-N 3.25Å; N149-Y151 VanDerWaalsContact O-CD1 3.23Å; N149-Y151 WeakPolarHBondContact O-CD1 3.37Å; N149-Y151 PolarHBondContact O-N 2.81Å
150	S	97.6	Very high	98.3	Very high	12 Å²	12	29.9 Å²	29.9	8%	0.084	15%	0.154	C	C	.	.	S	Bend	trans	-76	70.7	175.1	35.6	0	0	0	0	110.9	Y110 W113	Y110-S150 WeakPolarHBondContact CE1-OG 3.2Å; W113-S150 VanDerWaalsContact NE1-C 3.25Å
151	Y	98.6	Very high	98.3	Very high	11 Å²	11	30.8 Å²	30.8	4%	0.043	16%	0.16	C	C	.	.			trans	-71	167.5	-173.5	59.3	-107.6	0	0	0	114.2	Y101 W113 P146 L148 N149 V158 H162 N393 W395 E402	Y101-Y151 AromaticContact CD2-CE2 3.65Å; Y101-Y151 HydrophobicContact CD2-CE2 3.65Å; Y101-Y151 AromaticContact CG-CE2 3.94Å; Y101-Y151 HydrophobicContact CG-CE2 3.94Å; W113-Y151 HydrophobicContact CH2-CD1 4.45Å; W113-Y151 HydrophobicContact CH2-CE1 4.02Å; W113-Y151 AromaticContact CZ2-CD1 3.81Å; W113-Y151 HydrophobicContact CZ2-CD1 3.81Å; W113-Y151 HydrophobicContact CZ2-CD2 4.12Å; W113-Y151 AromaticContact CZ2-CE1 3.71Å; W113-Y151 HydrophobicContact CZ2-CE1 3.71Å; W113-Y151 AromaticContact CZ2-CE2 4Å; W113-Y151 HydrophobicContact CZ2-CE2 4Å; W113-Y151 HydrophobicContact CZ2-CG 4.05Å; W113-Y151 AromaticContact CZ2-CZ 3.83Å; W113-Y151 PolarHBondContact NE1-O 2.92Å; P146-Y151 HydrophobicContact CB-CD1 4.32Å; P146-Y151 HydrophobicContact CB-CE1 4.09Å; P146-Y151 HydrophobicContact CG-CE1 4.35Å; L148-Y151 HydrophobicContact CB-CD1 3.64Å; L148-Y151 HydrophobicContact CB-CE1 4.3Å; L148-Y151 HydrophobicContact CB-CG 4.37Å; N149-Y151 VanDerWaalsContact O-CD1 3.23Å; N149-Y151 WeakPolarHBondContact O-CD1 3.37Å; N149-Y151 PolarHBondContact O-N 2.81Å; Y151-V158 HydrophobicContact CD2-CG1 3.69Å; Y151-V158 HydrophobicContact CE2-CG1 4.14Å; Y151-V158 HydrophobicContact CG-CG1 3.97Å; Y151-V158 HydrophobicContact CG-CG2 4.48Å; Y151-H162 AromaticContact CE1-NE2 4Å; Y151-H162 AromaticContact CE2-CE1 3.67Å; Y151-H162 AromaticContact CZ-CE1 3.68Å; Y151-H162 AromaticContact CZ-NE2 3.6Å; Y151-H162 PolarHBondContact OH-NE2 3.1Å; Y151-N393 PolarHBondContact OH-ND2 3.27Å; Y151-N393 VanDerWaalsContact OH-ND2 3.15Å; Y151-W395 PolarHBondContact OH-NE1 3.24Å; Y151-E402 WeakPolarHBondContact CE1-OE1 3.33Å; Y151-E402 PolarHBondContact OH-OE2 3.23Å
152	S	98.6	Very high	98.4	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.007	16%	0.16	C	C	.	.			trans	-98.6	134.7	164.5	-179.2	0	0	0	0	110.5	Y101 D107 R154 D155	Y101-S152 CarbonylContact O-C 2.95Å; Y101-S152 WeakPolarHBondContact O-CA 3.27Å; D107-S152 PolarHBondContact OD1-OG 2.89Å; D107-S152 WeakPolarHBondContact OD2-CB 3.48Å; D107-S152 PolarHBondContact OD2-OG 2.69Å; S152-R154 PolarHBondContact O-N 2.71Å; S152-R154 WeakPolarHBondContact OG-CB 3.37Å; S152-R154 PolarHBondContact OG-N 3.08Å; S152-D155 WeakPolarHBondContact O-CB 3.13Å; S152-D155 PolarHBondContact O-N 3.26Å
153	S	98.4	Very high	98.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.2	168.5	-63.3	0	0	0	0	112.8	T99 Y101 D155	T99-S153 VanDerWaalsContact C-OG 3.24Å; T99-S153 WeakPolarHBondContact CA-OG 3.39Å; T99-S153 WeakPolarHBondContact O-CB 3.49Å; T99-S153 PolarHBondContact O-OG 3.46Å; Y101-S153 PolarHBondContact N-OG 3.32Å; Y101-S153 PolarHBondContact O-N 2.94Å; Y101-S153 PolarHBondContact O-OG 2.89Å; S153-D155 VanDerWaalsContact C-N 3.34Å
154	R	97.5	Very high	98.4	Very high	87 Å²	87	35.5 Å²	35.5	33%	0.328	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-9.2	173.9	-50	-160.5	158.1	-104.6	-2.3	113.4	D107 S152 P156 P190 D193 L194	D107-R154 WeakPolarHBondContact OD1-CD 3.17Å; D107-R154 WeakPolarHBondContact OD1-CG 3.5Å; D107-R154 IonicContact OD1-NE 2.71Å; S152-R154 PolarHBondContact O-N 2.71Å; S152-R154 WeakPolarHBondContact OG-CB 3.37Å; S152-R154 PolarHBondContact OG-N 3.08Å; R154-P156 WeakPolarHBondContact O-CD 3.18Å; R154-P190 PolarHBondContact NH2-O 3Å; R154-D193 IonicContact CZ-OD1 3.94Å; R154-D193 IonicContact CZ-OD2 3.51Å; R154-D193 IonicContact NH1-OD1 3.77Å; R154-D193 IonicContact NH1-OD2 2.85Å; R154-D193 PolarHBondContact NH1-OD2 3.3Å; R154-D193 VanDerWaalsContact NH2-CG 3.3Å; R154-D193 IonicContact NH2-OD1 3.57Å; R154-D193 PolarHBondContact NH2-OD1 3.4Å; R154-D193 IonicContact NH2-OD2 2.82Å; R154-D193 PolarHBondContact NH2-OD2 3.43Å; R154-L194 HydrophobicContact CB-CD2 4.05Å; R154-L194 HydrophobicContact CG-CD1 3.95Å; R154-L194 HydrophobicContact CG-CD2 3.78Å; R154-L194 HydrophobicContact CG-CG 4.37Å
155	D	98.3	Very high	98.4	Very high	43 Å²	43	35.2 Å²	35.2	23%	0.23	18%	0.181	C	C	.	.			trans	-76.4	119.6	-179.9	-173	-23.1	0	0	0	110.2	M106 S152 S153 D157 V158 L159	M106-D155 HydrophobicContact CE-CB 4.43Å; S152-D155 WeakPolarHBondContact O-CB 3.13Å; S152-D155 PolarHBondContact O-N 3.26Å; S153-D155 VanDerWaalsContact C-N 3.34Å; D155-D157 VanDerWaalsContact C-N 3.26Å; D155-D157 PolarHBondContact O-N 3.22Å; D155-D157 PolarHBondContact OD1-N 3.11Å; D155-V158 HydrophobicContact CB-CB 3.94Å; D155-V158 HydrophobicContact CB-CG2 3.71Å; D155-V158 WeakPolarHBondContact O-CB 3.27Å; D155-V158 PolarHBondContact O-N 2.92Å; D155-L159 PolarHBondContact O-N 3.42Å
156	P	97.8	Very high	98.4	Very high	76 Å²	76	35.1 Å²	35.1	49%	0.494	18%	0.18	S	C	.	.	H	α-helix	trans	-61.5	-33.1	-179.8	25.7	-34.7	0	0	0	112.8	R154 V158 L159 E160	R154-P156 WeakPolarHBondContact O-CD 3.18Å; P156-V158 VanDerWaalsContact C-N 3.31Å; P156-L159 PolarHBondContact O-N 3.41Å; P156-E160 WeakPolarHBondContact O-CG 3.09Å; P156-E160 PolarHBondContact O-N 2.88Å
157	D	98.4	Very high	98.4	Very high	125 Å²	125	35.9 Å²	35.9	67%	0.668	19%	0.188	S	C	*	.	H	α-helix	trans	-70.6	-34	179.7	-67.8	-22.2	0	0	0	110.8	D155 S161	D155-D157 VanDerWaalsContact C-N 3.26Å; D155-D157 PolarHBondContact O-N 3.22Å; D155-D157 PolarHBondContact OD1-N 3.11Å; D157-S161 WeakPolarHBondContact O-CB 3.36Å; D157-S161 PolarHBondContact O-N 3.18Å
158	V	98.6	Very high	98.3	Very high	10 Å²	10	33.9 Å²	33.9	6%	0.061	18%	0.183	C	C	.	.	H	α-helix	trans	-67.8	-44.4	173	171.3	0	0	0	0	110.6	L148 Y151 D155 P156 S161 H162	L148-V158 HydrophobicContact CD1-CG1 4.26Å; Y151-V158 HydrophobicContact CD2-CG1 3.69Å; Y151-V158 HydrophobicContact CE2-CG1 4.14Å; Y151-V158 HydrophobicContact CG-CG1 3.97Å; Y151-V158 HydrophobicContact CG-CG2 4.48Å; D155-V158 HydrophobicContact CB-CB 3.94Å; D155-V158 HydrophobicContact CB-CG2 3.71Å; D155-V158 WeakPolarHBondContact O-CB 3.27Å; D155-V158 PolarHBondContact O-N 2.92Å; P156-V158 VanDerWaalsContact C-N 3.31Å; V158-S161 PolarHBondContact O-N 3.07Å; V158-H162 WeakPolarHBondContact CG1-CE1 3.49Å; V158-H162 WeakPolarHBondContact O-CB 3.42Å; V158-H162 PolarHBondContact O-N 2.69Å; V158-H162 PolarHBondContact O-ND1 2.75Å
159	L	98.3	Very high	98.3	Very high	7 Å²	7	31.6 Å²	31.6	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-59.9	-46	175.3	-73.1	176.3	0	0	0	111.6	D155 P156 H162 M163 A197 V198 A201	D155-L159 PolarHBondContact O-N 3.42Å; P156-L159 PolarHBondContact O-N 3.41Å; L159-H162 WeakPolarHBondContact O-CB 3.45Å; L159-H162 PolarHBondContact O-N 3.1Å; L159-M163 WeakPolarHBondContact O-CG 3.42Å; L159-M163 PolarHBondContact O-N 3.18Å; L159-A197 HydrophobicContact CD1-CB 4.05Å; L159-V198 HydrophobicContact CD2-CG2 4.09Å; L159-A201 HydrophobicContact CB-CB 4.45Å
160	E	98.6	Very high	98.4	Very high	43 Å²	43	27.9 Å²	27.9	20%	0.201	15%	0.152	C	C	.	.	H	α-helix	trans	-60.9	-47.6	176.3	-71.8	-60.4	140.6	0	0	111.4	P156 H162 M163 E164 R204 H205	P156-E160 WeakPolarHBondContact O-CG 3.09Å; P156-E160 PolarHBondContact O-N 2.88Å; E160-H162 VanDerWaalsContact C-N 3.27Å; E160-H162 PolarHBondContact O-N 3.11Å; E160-M163 PolarHBondContact O-N 2.71Å; E160-M163 VanDerWaalsContact O-N 3.14Å; E160-E164 WeakPolarHBondContact O-CG 3.26Å; E160-E164 PolarHBondContact O-N 3.43Å; E160-R204 IonicContact OE1-CZ 2.91Å; E160-R204 IonicContact OE1-NE 2.87Å; E160-R204 PolarHBondContact OE1-NE 3.05Å; E160-R204 IonicContact OE1-NH2 3.33Å; E160-R204 PolarHBondContact OE1-NH2 3.12Å; E160-H205 IonicContact OE2-CD2 3.33Å; E160-H205 IonicContact OE2-CE1 3.5Å; E160-H205 IonicContact OE2-NE2 2.85Å; E160-H205 PolarHBondContact OE2-NE2 3.48Å
161	S	98.7	Very high	98.4	Very high	18 Å²	18	27.3 Å²	27.3	13%	0.126	15%	0.148	C	C	.	.	H	α-helix	trans	-59.6	-38	176.6	-170.8	0	0	0	0	112.6	D157 V158 E164 Q165	D157-S161 WeakPolarHBondContact O-CB 3.36Å; D157-S161 PolarHBondContact O-N 3.18Å; V158-S161 PolarHBondContact O-N 3.07Å; S161-E164 PolarHBondContact O-N 3.27Å; S161-Q165 WeakPolarHBondContact O-CB 3.48Å; S161-Q165 VanDerWaalsContact O-CG 3.31Å; S161-Q165 WeakPolarHBondContact O-CG 3.39Å; S161-Q165 PolarHBondContact O-N 3.38Å; S161-Q165 PolarHBondContact OG-NE2 2.98Å
162	H	98.9	Very high	98.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.9	-45.3	175	-68.4	161.6	0	0	0	112.2	Y97 Y151 V158 L159 E160 E164 Q165 I166 F392 E402	Y97-H162 HydrophobicContact CE2-CB 4.23Å; Y97-H162 AromaticContact CE2-ND1 3.81Å; Y97-H162 AromaticContact CZ-ND1 3.78Å; Y97-H162 PolarHBondContact OH-ND1 3.12Å; Y151-H162 AromaticContact CE1-NE2 4Å; Y151-H162 AromaticContact CE2-CE1 3.67Å; Y151-H162 AromaticContact CZ-CE1 3.68Å; Y151-H162 AromaticContact CZ-NE2 3.6Å; Y151-H162 PolarHBondContact OH-NE2 3.1Å; V158-H162 WeakPolarHBondContact CG1-CE1 3.49Å; V158-H162 WeakPolarHBondContact O-CB 3.42Å; V158-H162 PolarHBondContact O-N 2.69Å; V158-H162 PolarHBondContact O-ND1 2.75Å; L159-H162 WeakPolarHBondContact O-CB 3.45Å; L159-H162 PolarHBondContact O-N 3.1Å; E160-H162 VanDerWaalsContact C-N 3.27Å; E160-H162 PolarHBondContact O-N 3.11Å; H162-E164 VanDerWaalsContact C-N 3.33Å; H162-E164 PolarHBondContact O-N 3.19Å; H162-Q165 PolarHBondContact O-N 3.02Å; H162-I166 WeakPolarHBondContact O-CB 3.45Å; H162-I166 VanDerWaalsContact O-CG1 3.28Å; H162-I166 WeakPolarHBondContact O-CG1 3.38Å; H162-I166 PolarHBondContact O-N 2.9Å; H162-F392 HydrophobicContact CB-CE1 3.79Å; H162-F392 HydrophobicContact CB-CZ 3.89Å; H162-F392 AromaticContact CD2-CE1 3.37Å; H162-F392 WeakPolarHBondContact CD2-CE1 3.29Å; H162-F392 AromaticContact CD2-CZ 3.61Å; H162-F392 AromaticContact CG-CE1 3.54Å; H162-F392 AromaticContact CG-CZ 3.93Å; H162-F392 AromaticContact NE2-CE1 3.89Å; H162-E402 IonicContact NE2-OE1 3.72Å; H162-E402 IonicContact NE2-OE2 2.57Å
163	M	98.8	Very high	98.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.3	-38.1	178.3	-60.2	-50.2	149.2	0	0	111.7	L159 E160 I166 G167 L174 V198 A201 A202 H205 L207	L159-M163 WeakPolarHBondContact O-CG 3.42Å; L159-M163 PolarHBondContact O-N 3.18Å; E160-M163 PolarHBondContact O-N 2.71Å; E160-M163 VanDerWaalsContact O-N 3.14Å; M163-I166 PolarHBondContact O-N 2.61Å; M163-G167 PolarHBondContact O-N 3.2Å; M163-L174 HydrophobicContact CE-CD1 4.2Å; M163-L174 HydrophobicContact CE-CD2 4.43Å; M163-L174 HydrophobicContact SD-CD2 3.79Å; M163-V198 HydrophobicContact CE-CG1 4.16Å; M163-A201 HydrophobicContact CE-CB 4.32Å; M163-A201 HydrophobicContact CG-CB 3.78Å; M163-A202 HydrophobicContact SD-CB 4.17Å; M163-H205 HydrophobicContact CB-CB 3.94Å; M163-H205 WeakPolarHBondContact CB-CD2 3.31Å; M163-L207 HydrophobicContact CB-CD1 4.01Å; M163-L207 HydrophobicContact CG-CD1 4.42Å; M163-L207 HydrophobicContact SD-CD1 3.8Å
164	E	98.6	Very high	98.4	Very high	108 Å²	108	26.8 Å²	26.8	51%	0.505	15%	0.145	S	C	.	.	H	α-helix	trans	-59.6	-46.3	172.1	-71.7	177.8	172.1	0	0	111.8	E160 S161 H162 G167 A168 H205	E160-E164 WeakPolarHBondContact O-CG 3.26Å; E160-E164 PolarHBondContact O-N 3.43Å; S161-E164 PolarHBondContact O-N 3.27Å; H162-E164 VanDerWaalsContact C-N 3.33Å; H162-E164 PolarHBondContact O-N 3.19Å; E164-G167 PolarHBondContact O-N 2.88Å; E164-A168 VanDerWaalsContact O-CB 3.26Å; E164-A168 WeakPolarHBondContact O-CB 3.34Å; E164-A168 PolarHBondContact O-N 2.78Å; E164-H205 VanDerWaalsContact CG-CE1 3.42Å; E164-H205 WeakPolarHBondContact CG-CE1 3.47Å
165	Q	98.8	Very high	98.4	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-66.4	-41.5	178.4	-73.3	-178.5	52.7	0	0	112.4	S161 H162 A168 S169 F392 R403 L426	S161-Q165 WeakPolarHBondContact O-CB 3.48Å; S161-Q165 VanDerWaalsContact O-CG 3.31Å; S161-Q165 WeakPolarHBondContact O-CG 3.39Å; S161-Q165 PolarHBondContact O-N 3.38Å; S161-Q165 PolarHBondContact OG-NE2 2.98Å; H162-Q165 PolarHBondContact O-N 3.02Å; Q165-A168 WeakPolarHBondContact O-CB 3.5Å; Q165-A168 PolarHBondContact O-N 3.23Å; Q165-S169 PolarHBondContact O-N 3.26Å; Q165-F392 HydrophobicContact CB-CE2 3.84Å; Q165-F392 HydrophobicContact CB-CZ 4.07Å; Q165-R403 VanDerWaalsContact OE1-N 3.1Å; Q165-L426 HydrophobicContact CB-CD1 3.74Å; Q165-L426 HydrophobicContact CB-CD2 4.41Å; Q165-L426 HydrophobicContact CG-CD1 3.81Å
166	I	98.8	Very high	98.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64	-47.1	176.3	-68.7	167.8	0	0	0	109.9	I95 Y97 H162 M163 A168 S169 A170 A171 L174 L207 F392	I95-I166 HydrophobicContact CG2-CG2 4.07Å; Y97-I166 HydrophobicContact CD2-CD1 4.29Å; H162-I166 WeakPolarHBondContact O-CB 3.45Å; H162-I166 VanDerWaalsContact O-CG1 3.28Å; H162-I166 WeakPolarHBondContact O-CG1 3.38Å; H162-I166 PolarHBondContact O-N 2.9Å; M163-I166 PolarHBondContact O-N 2.61Å; I166-A168 VanDerWaalsContact C-N 3.27Å; I166-A168 PolarHBondContact O-N 3.31Å; I166-S169 WeakPolarHBondContact O-CB 3.4Å; I166-S169 PolarHBondContact O-N 3.3Å; I166-S169 VanDerWaalsContact O-N 3.07Å; I166-S169 PolarHBondContact O-OG 2.86Å; I166-A170 PolarHBondContact O-N 2.82Å; I166-A171 HydrophobicContact CG2-CB 4.3Å; I166-L174 HydrophobicContact CD1-CB 4.26Å; I166-L207 HydrophobicContact CB-CD1 3.97Å; I166-L207 HydrophobicContact CG2-CD1 3.74Å; I166-L207 HydrophobicContact CG2-CD2 4.05Å; I166-F392 HydrophobicContact CD1-CD1 4.4Å; I166-F392 HydrophobicContact CD1-CD2 4.02Å; I166-F392 HydrophobicContact CD1-CE2 4.25Å; I166-F392 HydrophobicContact CD1-CG 4.1Å; I166-F392 HydrophobicContact CG1-CD2 3.43Å; I166-F392 VanDerWaalsContact CG1-CD2 3.43Å; I166-F392 HydrophobicContact CG1-CE2 3.54Å; I166-F392 HydrophobicContact CG1-CG 4.02Å; I166-F392 HydrophobicContact CG1-CZ 4.2Å
167	G	98	Very high	98.5	Very high	16 Å²	16	17.6 Å²	17.6	17%	0.165	10%	0.1	C	C	.	.	H	α-helix	trans	-59.1	-39.2	172.7	0	0	0	0	0	112.1	M163 E164 S169 A170	M163-G167 PolarHBondContact O-N 3.2Å; E164-G167 PolarHBondContact O-N 2.88Å; G167-S169 VanDerWaalsContact C-N 3.26Å; G167-S169 PolarHBondContact O-N 2.84Å; G167-A170 PolarHBondContact O-N 2.92Å
168	A	97.9	Very high	98.5	Very high	27 Å²	27	11.9 Å²	11.9	22%	0.223	7%	0.069	C	C	.	.	H	α-helix	trans	-63.1	-32.3	175.8	0	0	0	0	0	112.4	E164 Q165 I166 A170 R430	E164-A168 VanDerWaalsContact O-CB 3.26Å; E164-A168 WeakPolarHBondContact O-CB 3.34Å; E164-A168 PolarHBondContact O-N 2.78Å; Q165-A168 WeakPolarHBondContact O-CB 3.5Å; Q165-A168 PolarHBondContact O-N 3.23Å; I166-A168 VanDerWaalsContact C-N 3.27Å; I166-A168 PolarHBondContact O-N 3.31Å; A168-A170 PolarHBondContact O-N 3.04Å; A168-R430 VanDerWaalsContact O-CZ 3.23Å; A168-R430 PolarHBondContact O-NE 3.34Å; A168-R430 PolarHBondContact O-NH2 3.25Å
169	S	98.4	Very high	98.5	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-6.5	173.6	83	0	0	0	0	114.4	Q165 I166 G167 A171 L426 T429 R430	Q165-S169 PolarHBondContact O-N 3.26Å; I166-S169 WeakPolarHBondContact O-CB 3.4Å; I166-S169 PolarHBondContact O-N 3.3Å; I166-S169 VanDerWaalsContact O-N 3.07Å; I166-S169 PolarHBondContact O-OG 2.86Å; G167-S169 VanDerWaalsContact C-N 3.26Å; G167-S169 PolarHBondContact O-N 2.84Å; S169-A171 PolarHBondContact O-N 3.07Å; S169-A171 WeakPolarHBondContact OG-CB 3.26Å; S169-A171 PolarHBondContact OG-N 2.91Å; S169-L426 WeakPolarHBondContact CA-O 3.26Å; S169-T429 CarbonylContact O-C 3.53Å; S169-T429 WeakPolarHBondContact O-CG2 3.45Å; S169-R430 WeakPolarHBondContact O-CA 3.33Å; S169-R430 PolarHBondContact O-N 3.37Å; S169-R430 VanDerWaalsContact O-N 3.13Å
170	A	97.9	Very high	98.5	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.008	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	6.8	-172.1	0	0	0	0	0	115.6	T88 F90 I166 G167 A168 R430 A433	T88-A170 WeakPolarHBondContact O-CB 3.31Å; F90-A170 HydrophobicContact CD2-CB 3.85Å; F90-A170 HydrophobicContact CE2-CB 3.95Å; F90-A170 PolarHBondContact N-O 3.42Å; I166-A170 PolarHBondContact O-N 2.82Å; G167-A170 PolarHBondContact O-N 2.92Å; A168-A170 PolarHBondContact O-N 3.04Å; A170-R430 HydrophobicContact CB-CB 4.34Å; A170-R430 HydrophobicContact CB-CG 4.08Å; A170-A433 HydrophobicContact CB-CB 4.14Å
171	A	98.3	Very high	98.5	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	131.1	167.5	0	0	0	0	0	109.9	V93 I95 I166 S169 L207 I389	V93-A171 HydrophobicContact CB-CB 4.48Å; V93-A171 HydrophobicContact CG1-CB 3.88Å; I95-A171 HydrophobicContact CB-CB 4.34Å; I95-A171 HydrophobicContact CG2-CB 4.06Å; I166-A171 HydrophobicContact CG2-CB 4.3Å; S169-A171 PolarHBondContact O-N 3.07Å; S169-A171 WeakPolarHBondContact OG-CB 3.26Å; S169-A171 PolarHBondContact OG-N 2.91Å; A171-L207 VanDerWaalsContact O-CD2 3.3Å; A171-L207 WeakPolarHBondContact O-CD2 3.46Å; A171-I389 HydrophobicContact CB-CD1 4.41Å
172	G	98.3	Very high	98.4	Very high	0 Å²	0	16 Å²	16	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-13	-175	0	0	0	0	0	115.6	F90 Y91 V93 K208	F90-G172 WeakPolarHBondContact O-CA 3.24Å; F90-G172 PolarHBondContact O-N 2.85Å; Y91-G172 WeakPolarHBondContact CD1-O 3.11Å; V93-G172 PolarHBondContact O-N 3.33Å; V93-G172 VanDerWaalsContact O-N 3.12Å; G172-K208 PolarHBondContact O-N 3.05Å
173	V	98.9	Very high	98.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	112.8	-177	-169.6	0	0	0	0	109.4	Y91 V93 H94 I95 K208 A210 Y242	Y91-V173 HydrophobicContact CD1-CG2 4.34Å; Y91-V173 WeakPolarHBondContact O-CG2 3.39Å; V93-V173 PolarHBondContact O-N 3.45Å; H94-V173 CarbonylContact C-O 3.59Å; H94-V173 VanDerWaalsContact CA-O 3.24Å; H94-V173 WeakPolarHBondContact CA-O 3.34Å; H94-V173 HydrophobicContact CB-CB 4.4Å; H94-V173 VanDerWaalsContact CD2-CB 3.48Å; H94-V173 WeakPolarHBondContact CD2-CB 3.16Å; H94-V173 VanDerWaalsContact CD2-CG2 3.48Å; H94-V173 WeakPolarHBondContact CD2-CG2 3.48Å; I95-V173 PolarHBondContact N-O 3.5Å; V173-K208 CarbonylContact C-O 3.56Å; V173-K208 WeakPolarHBondContact CA-O 3.47Å; V173-K208 HydrophobicContact CG1-CB 4.42Å; V173-K208 HydrophobicContact CG2-CB 4.26Å; V173-A210 HydrophobicContact CG1-CB 3.8Å; V173-Y242 HydrophobicContact CB-CD2 4.36Å; V173-Y242 HydrophobicContact CB-CE2 4.49Å; V173-Y242 HydrophobicContact CG1-CD1 4.3Å; V173-Y242 HydrophobicContact CG1-CD2 3.87Å; V173-Y242 HydrophobicContact CG1-CE2 4.33Å; V173-Y242 HydrophobicContact CG1-CG 3.83Å; V173-Y242 HydrophobicContact CG2-CD2 3.52Å; V173-Y242 HydrophobicContact CG2-CE2 3.38Å; V173-Y242 HydrophobicContact CG2-CG 4.32Å
174	L	98.4	Very high	98.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	133.9	163	57.1	136.7	0	0	0	109.5	I95 Y97 M163 I166 V198 A202 L207 K208 V209 A210	I95-L174 HydrophobicContact CG2-CB 4.36Å; I95-L174 CarbonylContact O-C 3.56Å; I95-L174 WeakPolarHBondContact O-CA 3.4Å; Y97-L174 HydrophobicContact CD1-CD1 3.71Å; Y97-L174 HydrophobicContact CE1-CD1 4.3Å; Y97-L174 HydrophobicContact CG-CD1 4.2Å; M163-L174 HydrophobicContact CE-CD1 4.2Å; M163-L174 HydrophobicContact CE-CD2 4.43Å; M163-L174 HydrophobicContact SD-CD2 3.79Å; I166-L174 HydrophobicContact CD1-CB 4.26Å; L174-V198 HydrophobicContact CD1-CG1 3.6Å; L174-A202 HydrophobicContact CD2-CB 3.94Å; L174-L207 HydrophobicContact CD2-CB 4.02Å; L174-L207 HydrophobicContact CD2-CD1 4.16Å; L174-K208 WeakPolarHBondContact CD2-O 3.49Å; L174-K208 PolarHBondContact N-O 3.31Å; L174-V209 HydrophobicContact CD1-CG1 4.34Å; L174-V209 HydrophobicContact CD1-CG2 4.01Å; L174-V209 HydrophobicContact CD2-CG2 4.16Å; L174-V209 HydrophobicContact CG-CG2 4Å; L174-V209 WeakPolarHBondContact O-CA 3.43Å; L174-A210 PolarHBondContact O-N 2.92Å
175	V	98.9	Very high	97.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	98.1	176.9	-171	0	0	0	0	107.1	H94 I95 F96 Y97 S177 A210 Q212 Y256	H94-V175 HydrophobicContact CB-CG2 3.81Å; I95-V175 PolarHBondContact O-N 2.82Å; F96-V175 HydrophobicContact CD1-CB 3.78Å; F96-V175 HydrophobicContact CD1-CG1 3.82Å; F96-V175 HydrophobicContact CD1-CG2 4.5Å; F96-V175 HydrophobicContact CE1-CB 4.1Å; F96-V175 HydrophobicContact CE1-CG1 3.8Å; Y97-V175 PolarHBondContact N-O 3.27Å; V175-S177 PolarHBondContact O-N 2.88Å; V175-A210 CarbonylContact C-O 3.56Å; V175-A210 WeakPolarHBondContact CA-O 3.41Å; V175-A210 HydrophobicContact CG2-CB 4.39Å; V175-Q212 HydrophobicContact CG1-CB 3.76Å; V175-Y256 HydrophobicContact CB-CD2 4.44Å; V175-Y256 HydrophobicContact CB-CE2 4.44Å; V175-Y256 HydrophobicContact CG1-CD2 3.36Å; V175-Y256 HydrophobicContact CG1-CE2 3.78Å; V175-Y256 HydrophobicContact CG1-CG 4.17Å; V175-Y256 HydrophobicContact CG2-CD2 4.22Å; V175-Y256 HydrophobicContact CG2-CE2 3.73Å
176	L	98.9	Very high	97.5	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	120.6	-174.3	179.2	61.9	0	0	0	110.7	Y97 T99 W178 V195 V198 V209 A210 F211 Q212	Y97-L176 HydrophobicContact CD1-CD1 3.86Å; Y97-L176 HydrophobicContact CE1-CD1 4.37Å; T99-L176 HydrophobicContact CG2-CD1 3.55Å; L176-W178 PolarHBondContact O-N 3.28Å; L176-V195 HydrophobicContact CD2-CG2 3.84Å; L176-V198 HydrophobicContact CD2-CG1 4.43Å; L176-V209 HydrophobicContact CB-CG1 4.04Å; L176-V209 HydrophobicContact CD2-CG1 4.47Å; L176-A210 PolarHBondContact N-O 3.28Å; L176-F211 HydrophobicContact CD2-CE1 4.2Å; L176-Q212 PolarHBondContact O-N 2.79Å
177	S	98.7	Very high	97.1	Very high	12 Å²	12	27.3 Å²	27.3	8%	0.084	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	121.7	166	179.4	0	0	0	0	109.6	Y97 V175 Q214	Y97-S177 WeakPolarHBondContact O-CB 3.41Å; Y97-S177 PolarHBondContact O-N 2.91Å; V175-S177 PolarHBondContact O-N 2.88Å; S177-Q214 WeakPolarHBondContact OG-CG 3.2Å; S177-Q214 PolarHBondContact OG-NE2 2.87Å
178	W	98.8	Very high	96.8	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.015	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	133.2	-169.7	-172.2	89.3	0	0	0	113	L176 P180 E192 F211 Q212 I213 Q214 N227 Y230 I231	L176-W178 PolarHBondContact O-N 3.28Å; W178-P180 VanDerWaalsContact CH2-CA 3.42Å; W178-P180 HydrophobicContact CH2-CB 3.98Å; W178-P180 HydrophobicContact CH2-CG 3.94Å; W178-P180 HydrophobicContact CZ3-CB 4.26Å; W178-P180 HydrophobicContact CZ3-CG 3.72Å; W178-E192 HydrophobicContact CZ2-CG 4.31Å; W178-F211 HydrophobicContact CB-CD1 3.99Å; W178-F211 AromaticContact CD1-CD1 3.71Å; W178-F211 AromaticContact CD1-CE1 3.84Å; W178-F211 AromaticContact CG-CD1 3.86Å; W178-F211 HydrophobicContact CG-CD1 3.86Å; W178-F211 HydrophobicContact CG-CE1 4.43Å; W178-Q212 PolarHBondContact N-O 3.12Å; W178-I213 HydrophobicContact CD2-CD1 4.22Å; W178-I213 HydrophobicContact CE3-CD1 3.56Å; W178-I213 HydrophobicContact CE3-CG2 4.32Å; W178-I213 HydrophobicContact CZ3-CD1 4.12Å; W178-Q214 PolarHBondContact O-N 2.93Å; W178-N227 HydrophobicContact CH2-CB 3.82Å; W178-N227 WeakPolarHBondContact CH2-OD1 3.42Å; W178-N227 HydrophobicContact CZ3-CB 3.94Å; W178-Y230 AromaticContact CZ2-CD1 3.99Å; W178-Y230 HydrophobicContact CZ2-CD1 3.99Å; W178-Y230 HydrophobicContact CZ2-CE1 4.16Å; W178-I231 HydrophobicContact CD2-CD1 3.89Å; W178-I231 HydrophobicContact CD2-CG1 4.5Å; W178-I231 HydrophobicContact CE3-CD1 3.99Å; W178-I231 HydrophobicContact CH2-CD1 3.95Å; W178-I231 HydrophobicContact CH2-CG1 4.16Å; W178-I231 HydrophobicContact CZ2-CD1 3.89Å; W178-I231 HydrophobicContact CZ2-CG1 3.77Å; W178-I231 HydrophobicContact CZ3-CD1 4.02Å
179	Y	98.6	Very high	96.7	Very high	35 Å²	35	30.1 Å²	30.1	14%	0.137	18%	0.183	C	C	.	.			trans	-117.6	149.9	168.5	-76.4	-92.8	0	0	0	109.7	L183 D185 Q214 P215	Y179-L183 WeakPolarHBondContact CB-O 3.4Å; Y179-D185 HydrophobicContact CE2-CB 4.15Å; Y179-D185 WeakPolarHBondContact OH-CB 3.38Å; Y179-Q214 HydrophobicContact CD1-CB 4.21Å; Y179-Q214 HydrophobicContact CD2-CB 3.96Å; Y179-Q214 HydrophobicContact CD2-CG 4.01Å; Y179-Q214 HydrophobicContact CE1-CB 3.73Å; Y179-Q214 HydrophobicContact CE2-CB 3.49Å; Y179-Q214 VanDerWaalsContact CE2-CB 3.49Å; Y179-Q214 HydrophobicContact CE2-CG 3.52Å; Y179-Q214 HydrophobicContact CG-CB 4.3Å; Y179-P215 WeakPolarHBondContact CE1-O 3.24Å
180	P	98.3	Very high	96.6	Very high	9 Å²	9	32.8 Å²	32.8	6%	0.058	20%	0.2	C	C	.	.			trans	-57.4	157	173.2	-24.7	34.1	0	0	0	113.6	W178 G182 L183 Y216 N227	W178-P180 VanDerWaalsContact CH2-CA 3.42Å; W178-P180 HydrophobicContact CH2-CB 3.98Å; W178-P180 HydrophobicContact CH2-CG 3.94Å; W178-P180 HydrophobicContact CZ3-CB 4.26Å; W178-P180 HydrophobicContact CZ3-CG 3.72Å; P180-G182 PolarHBondContact O-N 2.92Å; P180-L183 HydrophobicContact CB-CD1 4.05Å; P180-L183 HydrophobicContact CB-CG 4.43Å; P180-L183 HydrophobicContact CG-CD1 4.05Å; P180-L183 WeakPolarHBondContact O-CB 3.18Å; P180-L183 PolarHBondContact O-N 2.87Å; P180-Y216 VanDerWaalsContact CD-CD1 3.45Å; P180-Y216 HydrophobicContact CG-CD1 3.72Å; P180-Y216 HydrophobicContact CG-CD2 4.02Å; P180-Y216 HydrophobicContact CG-CE1 3.66Å; P180-Y216 HydrophobicContact CG-CE2 3.97Å; P180-Y216 HydrophobicContact CG-CG 3.92Å; P180-N227 WeakPolarHBondContact CG-ND2 3.38Å
181	P	97.2	Very high	96.5	Very high	61 Å²	61	33.9 Å²	33.9	40%	0.396	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	129.4	176.9	-26.1	32.8	0	0	0	112.5	L183 E192 Y230	P181-L183 VanDerWaalsContact C-N 3.27Å; P181-L183 PolarHBondContact O-N 3.48Å; P181-E192 HydrophobicContact CB-CG 4.5Å; P181-E192 HydrophobicContact CG-CG 3.93Å; P181-Y230 HydrophobicContact CG-CD1 4.46Å; P181-Y230 HydrophobicContact CG-CE1 3.75Å; P181-Y230 HydrophobicContact CG-CE2 4.09Å
182	G	96.3	Very high	96.4	Very high	61 Å²	61	35 Å²	35	63%	0.629	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.7	0.6	-178.9	0	0	0	0	0	115.5	P180	P180-G182 PolarHBondContact O-N 2.92Å
183	L	97	Very high	96.3	Very high	68 Å²	68	39.1 Å²	39.1	36%	0.356	24%	0.237	S	C	.	.			trans	-110.2	157.5	173.7	-57.3	-176	0	0	0	111.5	Y179 P180 P181 P190 Y216	Y179-L183 WeakPolarHBondContact CB-O 3.4Å; P180-L183 HydrophobicContact CB-CD1 4.05Å; P180-L183 HydrophobicContact CB-CG 4.43Å; P180-L183 HydrophobicContact CG-CD1 4.05Å; P180-L183 WeakPolarHBondContact O-CB 3.18Å; P180-L183 PolarHBondContact O-N 2.87Å; P181-L183 VanDerWaalsContact C-N 3.27Å; P181-L183 PolarHBondContact O-N 3.48Å; L183-P190 WeakPolarHBondContact O-CA 3.44Å; L183-Y216 HydrophobicContact CD1-CD2 3.93Å; L183-Y216 HydrophobicContact CD1-CG 4.21Å
184	A	95.7	Very high	96.3	Very high	30 Å²	30	39.7 Å²	39.7	25%	0.248	24%	0.24	C	C	.	.			trans	-154.6	176.3	176.9	0	0	0	0	0	109.5
185	D	92.9	Very high	96.3	Very high	27 Å²	27	39.8 Å²	39.8	14%	0.144	24%	0.241	C	C	.	.			trans	-71.4	170.1	164.4	74.1	98.6	0	0	0	111.3	H112 Y179 N187 G188	H112-D185 IonicContact CE1-OD1 3.77Å; H112-D185 PolarHBondContact CE1-OD1 2.67Å; H112-D185 IonicContact CE1-OD2 3.02Å; H112-D185 PolarHBondContact CE1-OD2 3.48Å; H112-D185 IonicContact NE2-OD1 2.75Å; H112-D185 IonicContact NE2-OD2 3.56Å; H112-D185 PolarHBondContact NE2-OD2 3.14Å; Y179-D185 HydrophobicContact CE2-CB 4.15Å; Y179-D185 WeakPolarHBondContact OH-CB 3.38Å; D185-N187 PolarHBondContact O-N 2.99Å; D185-N187 WeakPolarHBondContact OD1-CA 3.42Å; D185-N187 WeakPolarHBondContact OD1-CB 3.32Å; D185-N187 PolarHBondContact OD1-N 2.87Å; D185-G188 PolarHBondContact O-N 3.46Å; D185-G188 PolarHBondContact OD1-N 2.91Å
186	D	91	Very high	96.3	Very high	166 Å²	166	42 Å²	42	89%	0.888	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.7	-175.1	-68	-27.2	0	0	0	114.5
187	N	90.8	Very high	96.3	Very high	54 Å²	54	43.9 Å²	43.9	29%	0.289	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-0.3	-176.2	-54.5	-85.6	0	0	0	113.1	H115 I116 D185	H115-N187 WeakPolarHBondContact NE2-CB 2.99Å; H115-N187 PolarHBondContact NE2-ND2 2.88Å; I116-N187 WeakPolarHBondContact CG1-OD1 2.67Å; D185-N187 PolarHBondContact O-N 2.99Å; D185-N187 WeakPolarHBondContact OD1-CA 3.42Å; D185-N187 WeakPolarHBondContact OD1-CB 3.32Å; D185-N187 PolarHBondContact OD1-N 2.87Å
188	G	92.6	Very high	96.3	Very high	19 Å²	19	43.3 Å²	43.3	20%	0.196	27%	0.266	C	S	.	.	S	Bend	trans	-111.2	-169.3	-176.3	0	0	0	0	0	114.4	H112 D185	H112-G188 WeakPolarHBondContact NE2-CA 3.47Å; D185-G188 PolarHBondContact O-N 3.46Å; D185-G188 PolarHBondContact OD1-N 2.91Å
189	E	95.8	Very high	96.3	Very high	84 Å²	84	43.1 Å²	43.1	39%	0.393	27%	0.266	S	S	.	.			trans	-130.6	160	170.3	-67.2	-161.6	158.9	0	0	110	K109 I111 A191	K109-E189 WeakPolarHBondContact CE-OE1 3.46Å; K109-E189 IonicContact NZ-OE1 3.81Å; K109-E189 PolarHBondContact NZ-OE1 3.04Å; I111-E189 HydrophobicContact CD1-CB 4.29Å; I111-E189 HydrophobicContact CD1-CG 4.03Å; I111-E189 HydrophobicContact CG2-CG 4.33Å; E189-A191 PolarHBondContact O-N 2.95Å
190	P	96.6	Very high	96.3	Very high	55 Å²	55	45.1 Å²	45.1	36%	0.357	28%	0.279	S	S	.	.			trans	-56	125.8	179	-26.7	35.9	0	0	0	111.8	R154 L183	R154-P190 PolarHBondContact NH2-O 3Å; L183-P190 WeakPolarHBondContact O-CA 3.44Å
191	A	94.9	Very high	96.3	Very high	24 Å²	24	44.8 Å²	44.8	20%	0.198	28%	0.277	C	S	.	.			trans	-118.9	6	-176.2	0	0	0	0	0	113.1	E189 D193 L194	E189-A191 PolarHBondContact O-N 2.95Å; A191-D193 PolarHBondContact O-N 3.07Å; A191-L194 HydrophobicContact CB-CD1 4.31Å; A191-L194 WeakPolarHBondContact O-CB 3.35Å; A191-L194 PolarHBondContact O-N 3.24Å; A191-L194 VanDerWaalsContact O-N 3.1Å
192	E	96.5	Very high	96.4	Very high	24 Å²	24	41.9 Å²	41.9	11%	0.112	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-62	-30.9	-177.1	-172.7	-81.2	156.4	0	0	112.7	W178 P181 L194 V195 Y230 Y235	W178-E192 HydrophobicContact CZ2-CG 4.31Å; P181-E192 HydrophobicContact CB-CG 4.5Å; P181-E192 HydrophobicContact CG-CG 3.93Å; E192-L194 PolarHBondContact O-N 3.02Å; E192-V195 WeakPolarHBondContact O-CB 3.48Å; E192-V195 WeakPolarHBondContact O-CG2 3.43Å; E192-V195 PolarHBondContact O-N 3.16Å; E192-V195 VanDerWaalsContact O-N 3.11Å; E192-Y230 HydrophobicContact CG-CE1 4.39Å; E192-Y230 WeakPolarHBondContact OE1-CE1 3.19Å; E192-Y230 VanDerWaalsContact OE1-CZ 3.28Å; E192-Y230 PolarHBondContact OE1-OH 3.45Å; E192-Y230 PolarHBondContact OE2-OH 3.28Å; E192-Y235 PolarHBondContact OE1-OH 3.17Å
193	D	96.6	Very high	96.5	Very high	87 Å²	87	45.7 Å²	45.7	47%	0.465	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-68.2	-12.6	177.7	66.5	-41	0	0	0	113.6	R154 A191 P196	R154-D193 IonicContact CZ-OD1 3.94Å; R154-D193 IonicContact CZ-OD2 3.51Å; R154-D193 IonicContact NH1-OD1 3.77Å; R154-D193 IonicContact NH1-OD2 2.85Å; R154-D193 PolarHBondContact NH1-OD2 3.3Å; R154-D193 VanDerWaalsContact NH2-CG 3.3Å; R154-D193 IonicContact NH2-OD1 3.57Å; R154-D193 PolarHBondContact NH2-OD1 3.4Å; R154-D193 IonicContact NH2-OD2 2.82Å; R154-D193 PolarHBondContact NH2-OD2 3.43Å; A191-D193 PolarHBondContact O-N 3.07Å; D193-P196 WeakPolarHBondContact O-CD 3.48Å
194	L	97.5	Very high	96.5	Very high	12 Å²	12	49.8 Å²	49.8	6%	0.063	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-81.8	-15	173.1	-64.1	173.1	0	0	0	113.7	R154 A191 E192 A197 V198	R154-L194 HydrophobicContact CB-CD2 4.05Å; R154-L194 HydrophobicContact CG-CD1 3.95Å; R154-L194 HydrophobicContact CG-CD2 3.78Å; R154-L194 HydrophobicContact CG-CG 4.37Å; A191-L194 HydrophobicContact CB-CD1 4.31Å; A191-L194 WeakPolarHBondContact O-CB 3.35Å; A191-L194 PolarHBondContact O-N 3.24Å; A191-L194 VanDerWaalsContact O-N 3.1Å; E192-L194 PolarHBondContact O-N 3.02Å; L194-A197 PolarHBondContact O-N 3.08Å; L194-V198 WeakPolarHBondContact O-CG2 3.48Å; L194-V198 PolarHBondContact O-N 2.88Å
195	V	98.7	Very high	96.5	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.012	26%	0.264	C	S	.	.	H	α-helix	trans	-54.3	-44.7	-176	175.9	0	0	0	0	112.7	L176 E192 A197 V198 L199 F211 Y235	L176-V195 HydrophobicContact CD2-CG2 3.84Å; E192-V195 WeakPolarHBondContact O-CB 3.48Å; E192-V195 WeakPolarHBondContact O-CG2 3.43Å; E192-V195 PolarHBondContact O-N 3.16Å; E192-V195 VanDerWaalsContact O-N 3.11Å; V195-A197 PolarHBondContact O-N 3.2Å; V195-V198 PolarHBondContact O-N 2.82Å; V195-L199 HydrophobicContact CG1-CD1 3.81Å; V195-L199 HydrophobicContact CG1-CG 4.35Å; V195-L199 WeakPolarHBondContact O-CB 3.38Å; V195-L199 WeakPolarHBondContact O-CG 3.47Å; V195-L199 PolarHBondContact O-N 3.22Å; V195-F211 HydrophobicContact CG1-CE1 3.87Å; V195-F211 HydrophobicContact CG1-CZ 3.87Å; V195-F211 HydrophobicContact CG2-CE1 4.35Å; V195-Y235 HydrophobicContact CB-CE1 4.12Å; V195-Y235 HydrophobicContact CB-CE2 4.08Å; V195-Y235 HydrophobicContact CG1-CD1 3.9Å; V195-Y235 HydrophobicContact CG1-CD2 3.76Å; V195-Y235 HydrophobicContact CG1-CE1 3.71Å; V195-Y235 HydrophobicContact CG1-CE2 3.57Å; V195-Y235 HydrophobicContact CG1-CG 3.93Å
196	P	98.7	Very high	96.8	Very high	47 Å²	47	51.4 Å²	51.4	31%	0.305	27%	0.271	S	S	.	.	H	α-helix	trans	-57	-45	174.2	-24.1	32.6	0	0	0	113.9	D193 V198 L199 D200 Y235	D193-P196 WeakPolarHBondContact O-CD 3.48Å; P196-V198 PolarHBondContact O-N 3.39Å; P196-L199 WeakPolarHBondContact O-CB 3.48Å; P196-L199 PolarHBondContact O-N 3.29Å; P196-D200 PolarHBondContact O-N 3.26Å; P196-Y235 HydrophobicContact CG-CE1 4.01Å
197	A	98.6	Very high	97.1	Very high	40 Å²	40	43.6 Å²	43.6	33%	0.331	23%	0.229	S	C	.	.	H	α-helix	trans	-67.1	-38.4	-178.2	0	0	0	0	0	111.9	L159 L194 V195 D200 A201	L159-A197 HydrophobicContact CD1-CB 4.05Å; L194-A197 PolarHBondContact O-N 3.08Å; V195-A197 PolarHBondContact O-N 3.2Å; A197-D200 PolarHBondContact O-N 3.33Å; A197-A201 WeakPolarHBondContact O-CB 2.95Å; A197-A201 PolarHBondContact O-N 2.83Å
198	V	98.8	Very high	97.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.1	-44.1	173.9	174.4	0	0	0	0	110.9	Y97 T99 L159 M163 L174 L176 L194 V195 P196 A201 A202 V209	Y97-V198 HydrophobicContact CE1-CG1 4.45Å; T99-V198 HydrophobicContact CG2-CG2 3.87Å; L159-V198 HydrophobicContact CD2-CG2 4.09Å; M163-V198 HydrophobicContact CE-CG1 4.16Å; L174-V198 HydrophobicContact CD1-CG1 3.6Å; L176-V198 HydrophobicContact CD2-CG1 4.43Å; L194-V198 WeakPolarHBondContact O-CG2 3.48Å; L194-V198 PolarHBondContact O-N 2.88Å; V195-V198 PolarHBondContact O-N 2.82Å; P196-V198 PolarHBondContact O-N 3.39Å; V198-A201 PolarHBondContact O-N 3.32Å; V198-A202 VanDerWaalsContact O-CB 3.24Å; V198-A202 WeakPolarHBondContact O-CB 3.37Å; V198-A202 PolarHBondContact O-N 3.1Å; V198-V209 HydrophobicContact CG1-CG2 4.35Å
199	L	98.9	Very high	97.8	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-62	-46.1	177.4	-80.5	167.8	0	0	0	111.8	V195 P196 A202 Y203 V209 Y235 H238 A240	V195-L199 HydrophobicContact CG1-CD1 3.81Å; V195-L199 HydrophobicContact CG1-CG 4.35Å; V195-L199 WeakPolarHBondContact O-CB 3.38Å; V195-L199 WeakPolarHBondContact O-CG 3.47Å; V195-L199 PolarHBondContact O-N 3.22Å; P196-L199 WeakPolarHBondContact O-CB 3.48Å; P196-L199 PolarHBondContact O-N 3.29Å; L199-A202 PolarHBondContact O-N 3.08Å; L199-Y203 WeakPolarHBondContact O-CB 3.26Å; L199-Y203 PolarHBondContact O-N 2.8Å; L199-V209 HydrophobicContact CD2-CB 3.71Å; L199-V209 HydrophobicContact CD2-CG1 4.33Å; L199-V209 HydrophobicContact CD2-CG2 3.74Å; L199-V209 HydrophobicContact CG-CG2 4.43Å; L199-Y235 HydrophobicContact CD1-CD1 3.65Å; L199-Y235 HydrophobicContact CD1-CE1 4.49Å; L199-Y235 HydrophobicContact CD1-CG 3.91Å; L199-H238 HydrophobicContact CD1-CB 4.27Å; L199-H238 HydrophobicContact CD2-CB 4.39Å; L199-H238 PolarHBondContact O-CE1 2.96Å; L199-A240 HydrophobicContact CD2-CB 4.09Å; L199-A240 WeakPolarHBondContact O-CB 3.3Å
200	D	98.8	Very high	97.9	Very high	77 Å²	77	38.8 Å²	38.8	41%	0.412	20%	0.2	S	C	.	.	H	α-helix	trans	-61.2	-47.2	177.5	-77.6	-23.8	0	0	0	111.7	P196 A197 Y203 R204 H238	P196-D200 PolarHBondContact O-N 3.26Å; A197-D200 PolarHBondContact O-N 3.33Å; D200-Y203 PolarHBondContact O-N 3.5Å; D200-R204 PolarHBondContact O-N 2.86Å; D200-R204 VanDerWaalsContact O-N 3.12Å; D200-H238 IonicContact OD1-NE2 2.94Å; D200-H238 PolarHBondContact OD1-NE2 2.88Å
201	A	98.7	Very high	98.1	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-48.3	177.2	0	0	0	0	0	110.9	L159 M163 A197 V198 Y203 R204 H205	L159-A201 HydrophobicContact CB-CB 4.45Å; M163-A201 HydrophobicContact CE-CB 4.32Å; M163-A201 HydrophobicContact CG-CB 3.78Å; A197-A201 WeakPolarHBondContact O-CB 2.95Å; A197-A201 PolarHBondContact O-N 2.83Å; V198-A201 PolarHBondContact O-N 3.32Å; A201-Y203 VanDerWaalsContact C-N 3.27Å; A201-Y203 PolarHBondContact O-N 2.64Å; A201-R204 PolarHBondContact O-N 3.01Å; A201-H205 PolarHBondContact O-CD2 3.18Å; A201-H205 VanDerWaalsContact O-CD2 3.3Å; A201-H205 PolarHBondContact O-N 3.48Å
202	A	98.6	Very high	98.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-56.9	-41.7	176.6	0	0	0	0	0	112	M163 L174 V198 L199 R204 H205 S206 L207 V209 A240	M163-A202 HydrophobicContact SD-CB 4.17Å; L174-A202 HydrophobicContact CD2-CB 3.94Å; V198-A202 VanDerWaalsContact O-CB 3.24Å; V198-A202 WeakPolarHBondContact O-CB 3.37Å; V198-A202 PolarHBondContact O-N 3.1Å; L199-A202 PolarHBondContact O-N 3.08Å; A202-R204 PolarHBondContact O-N 3.32Å; A202-H205 CarbonylContact O-C 3.57Å; A202-H205 PolarHBondContact O-N 2.93Å; A202-S206 PolarHBondContact O-N 2.76Å; A202-L207 HydrophobicContact CB-CB 4.02Å; A202-L207 PolarHBondContact O-N 3.33Å; A202-V209 HydrophobicContact CB-CG2 3.63Å; A202-A240 HydrophobicContact CB-CB 4.04Å
203	Y	98.1	Very high	98.3	Very high	141 Å²	141	34 Å²	34	55%	0.553	17%	0.168	S	C	*	.	H	α-helix	trans	-63	-42.1	179.2	-172.2	-112	0	0	0	112.7	L199 D200 A201 H205 S206 G239 A240	L199-Y203 WeakPolarHBondContact O-CB 3.26Å; L199-Y203 PolarHBondContact O-N 2.8Å; D200-Y203 PolarHBondContact O-N 3.5Å; A201-Y203 VanDerWaalsContact C-N 3.27Å; A201-Y203 PolarHBondContact O-N 2.64Å; Y203-H205 PolarHBondContact O-N 3.13Å; Y203-S206 PolarHBondContact O-N 3.5Å; Y203-S206 VanDerWaalsContact O-N 3.13Å; Y203-G239 VanDerWaalsContact CD2-C 3.5Å; Y203-A240 HydrophobicContact CD2-CB 4.45Å
204	R	97.4	Very high	98.4	Very high	154 Å²	154	30.3 Å²	30.3	58%	0.581	15%	0.148	S	C	*	.	H	α-helix	trans	-58.2	-33.5	175.6	-73.8	-171.1	-76.3	-97.4	3.8	112.5	E160 D200 A201 A202	E160-R204 IonicContact OE1-CZ 2.91Å; E160-R204 IonicContact OE1-NE 2.87Å; E160-R204 PolarHBondContact OE1-NE 3.05Å; E160-R204 IonicContact OE1-NH2 3.33Å; E160-R204 PolarHBondContact OE1-NH2 3.12Å; D200-R204 PolarHBondContact O-N 2.86Å; D200-R204 VanDerWaalsContact O-N 3.12Å; A201-R204 PolarHBondContact O-N 3.01Å; A202-R204 PolarHBondContact O-N 3.32Å
205	H	97.2	Very high	98.4	Very high	48 Å²	48	31.7 Å²	31.7	22%	0.222	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	11.7	-179.5	-69.9	-85.6	0	0	0	114.1	E160 M163 E164 A201 A202 Y203 L207	E160-H205 IonicContact OE2-CD2 3.33Å; E160-H205 IonicContact OE2-CE1 3.5Å; E160-H205 IonicContact OE2-NE2 2.85Å; E160-H205 PolarHBondContact OE2-NE2 3.48Å; M163-H205 HydrophobicContact CB-CB 3.94Å; M163-H205 WeakPolarHBondContact CB-CD2 3.31Å; E164-H205 VanDerWaalsContact CG-CE1 3.42Å; E164-H205 WeakPolarHBondContact CG-CE1 3.47Å; A201-H205 PolarHBondContact O-CD2 3.18Å; A201-H205 VanDerWaalsContact O-CD2 3.3Å; A201-H205 PolarHBondContact O-N 3.48Å; A202-H205 CarbonylContact O-C 3.57Å; A202-H205 PolarHBondContact O-N 2.93Å; Y203-H205 PolarHBondContact O-N 3.13Å; H205-L207 HydrophobicContact CB-CD1 4.17Å; H205-L207 HydrophobicContact CB-CG 4.1Å; H205-L207 PolarHBondContact O-N 2.82Å
206	S	97.3	Very high	98.3	Very high	44 Å²	44	32.6 Å²	32.6	31%	0.308	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	26.5	-176.3	-55.8	0	0	0	0	114.2	Y91 A202 Y203	Y91-S206 WeakPolarHBondContact CE1-O 3.49Å; Y91-S206 PolarHBondContact OH-O 2.62Å; A202-S206 PolarHBondContact O-N 2.76Å; Y203-S206 PolarHBondContact O-N 3.5Å; Y203-S206 VanDerWaalsContact O-N 3.13Å
207	L	98.4	Very high	98.1	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	19%	0.189	C	C	.	.			trans	-90.8	162.4	173.6	-60.1	176.1	0	0	0	110.6	I89 M163 I166 A171 L174 A202 H205	I89-L207 HydrophobicContact CD1-CD2 4.04Å; I89-L207 HydrophobicContact CG2-CD2 4.21Å; M163-L207 HydrophobicContact CB-CD1 4.01Å; M163-L207 HydrophobicContact CG-CD1 4.42Å; M163-L207 HydrophobicContact SD-CD1 3.8Å; I166-L207 HydrophobicContact CB-CD1 3.97Å; I166-L207 HydrophobicContact CG2-CD1 3.74Å; I166-L207 HydrophobicContact CG2-CD2 4.05Å; A171-L207 VanDerWaalsContact O-CD2 3.3Å; A171-L207 WeakPolarHBondContact O-CD2 3.46Å; L174-L207 HydrophobicContact CD2-CB 4.02Å; L174-L207 HydrophobicContact CD2-CD1 4.16Å; A202-L207 HydrophobicContact CB-CB 4.02Å; A202-L207 PolarHBondContact O-N 3.33Å; H205-L207 HydrophobicContact CB-CD1 4.17Å; H205-L207 HydrophobicContact CB-CG 4.1Å; H205-L207 PolarHBondContact O-N 2.82Å
208	K	98.8	Very high	97.9	Very high	54 Å²	54	42.2 Å²	42.2	24%	0.235	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	156.5	173.1	-54.9	-64.4	176.8	-176.6	0	111.1	Y91 G172 V173 L174 G239 A240 Y242	Y91-K208 HydrophobicContact CD1-CG 3.77Å; Y91-K208 HydrophobicContact CE1-CG 3.61Å; G172-K208 PolarHBondContact O-N 3.05Å; V173-K208 CarbonylContact C-O 3.56Å; V173-K208 WeakPolarHBondContact CA-O 3.47Å; V173-K208 HydrophobicContact CG1-CB 4.42Å; V173-K208 HydrophobicContact CG2-CB 4.26Å; L174-K208 WeakPolarHBondContact CD2-O 3.49Å; L174-K208 PolarHBondContact N-O 3.31Å; K208-G239 PolarHBondContact NZ-O 3.44Å; K208-A240 CarbonylContact C-O 3.24Å; K208-A240 WeakPolarHBondContact CA-O 3.47Å; K208-Y242 HydrophobicContact CB-CD2 3.69Å; K208-Y242 HydrophobicContact CB-CG 4.26Å; K208-Y242 HydrophobicContact CG-CD2 4.1Å
209	V	98.9	Very high	97.9	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	116.2	-180	-173.3	0	0	0	0	109.3	L174 L176 V198 L199 A202 A240 Y242	L174-V209 HydrophobicContact CD1-CG1 4.34Å; L174-V209 HydrophobicContact CD1-CG2 4.01Å; L174-V209 HydrophobicContact CD2-CG2 4.16Å; L174-V209 HydrophobicContact CG-CG2 4Å; L174-V209 WeakPolarHBondContact O-CA 3.43Å; L176-V209 HydrophobicContact CB-CG1 4.04Å; L176-V209 HydrophobicContact CD2-CG1 4.47Å; V198-V209 HydrophobicContact CG1-CG2 4.35Å; L199-V209 HydrophobicContact CD2-CB 3.71Å; L199-V209 HydrophobicContact CD2-CG1 4.33Å; L199-V209 HydrophobicContact CD2-CG2 3.74Å; L199-V209 HydrophobicContact CG-CG2 4.43Å; A202-V209 HydrophobicContact CB-CG2 3.63Å; V209-A240 HydrophobicContact CG2-CB 4.43Å; V209-A240 PolarHBondContact N-O 3.49Å; V209-Y242 WeakPolarHBondContact O-CB 3.23Å; V209-Y242 PolarHBondContact O-N 2.83Å
210	A	98.9	Very high	97.8	Very high	2 Å²	2	46.3 Å²	46.3	2%	0.017	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	169	163.7	0	0	0	0	0	109.3	V173 L174 V175 L176 Y242	V173-A210 HydrophobicContact CG1-CB 3.8Å; L174-A210 PolarHBondContact O-N 2.92Å; V175-A210 CarbonylContact C-O 3.56Å; V175-A210 WeakPolarHBondContact CA-O 3.41Å; V175-A210 HydrophobicContact CG2-CB 4.39Å; L176-A210 PolarHBondContact N-O 3.28Å; A210-Y242 HydrophobicContact CB-CD1 4.04Å; A210-Y242 HydrophobicContact CB-CG 4.33Å
211	F	98.9	Very high	97.7	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.6	-176.3	-66.5	-97.1	0	0	0	111.2	L176 W178 V195 I213 I231 Y235 F241 F255 Y256	L176-F211 HydrophobicContact CD2-CE1 4.2Å; W178-F211 HydrophobicContact CB-CD1 3.99Å; W178-F211 AromaticContact CD1-CD1 3.71Å; W178-F211 AromaticContact CD1-CE1 3.84Å; W178-F211 AromaticContact CG-CD1 3.86Å; W178-F211 HydrophobicContact CG-CD1 3.86Å; W178-F211 HydrophobicContact CG-CE1 4.43Å; V195-F211 HydrophobicContact CG1-CE1 3.87Å; V195-F211 HydrophobicContact CG1-CZ 3.87Å; V195-F211 HydrophobicContact CG2-CE1 4.35Å; F211-I213 HydrophobicContact CB-CD1 4.16Å; F211-I231 HydrophobicContact CD1-CD1 4.33Å; F211-I231 HydrophobicContact CD1-CG2 4.46Å; F211-I231 HydrophobicContact CD2-CG2 3.84Å; F211-I231 HydrophobicContact CE1-CG2 4.28Å; F211-I231 HydrophobicContact CE2-CG2 3.66Å; F211-I231 HydrophobicContact CG-CD1 4.41Å; F211-I231 HydrophobicContact CG-CG2 4.25Å; F211-I231 HydrophobicContact CZ-CG2 3.89Å; F211-Y235 HydrophobicContact CZ-CD2 4.16Å; F211-F241 HydrophobicContact CD2-CE2 4.24Å; F211-F241 AromaticContact CE2-CD2 3.95Å; F211-F241 HydrophobicContact CE2-CD2 3.95Å; F211-F241 AromaticContact CE2-CE2 3.59Å; F211-F241 HydrophobicContact CE2-CE2 3.59Å; F211-F241 HydrophobicContact CE2-CZ 4.5Å; F211-F241 HydrophobicContact CZ-CE2 4.49Å; F211-F255 HydrophobicContact CB-CD1 3.81Å; F211-F255 HydrophobicContact CB-CE1 3.98Å; F211-F255 HydrophobicContact CD2-CE1 4.15Å; F211-F255 HydrophobicContact CG-CE1 4.29Å; F211-Y256 PolarHBondContact O-N 3.12Å
212	Q	98.9	Very high	97.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	106.3	165	177.9	179.4	20.8	0	0	108.6	F96 V175 L176 W178 Q214 Y256 Y311	F96-Q212 HydrophobicContact CD1-CB 4.46Å; F96-Q212 HydrophobicContact CE1-CB 4.47Å; F96-Q212 HydrophobicContact CE1-CG 4.45Å; V175-Q212 HydrophobicContact CG1-CB 3.76Å; L176-Q212 PolarHBondContact O-N 2.79Å; W178-Q212 PolarHBondContact N-O 3.12Å; Q212-Q214 PolarHBondContact O-N 3.18Å; Q212-Y256 CarbonylContact C-O 3.55Å; Q212-Y256 WeakPolarHBondContact CA-O 3.3Å; Q212-Y311 PolarHBondContact NE2-OH 3.44Å
213	I	98.8	Very high	97.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	113	178.8	-47.6	-59.2	0	0	0	108.9	W178 F211 Y216 R219 L224 I231 F255 Y256 I257 Y258	W178-I213 HydrophobicContact CD2-CD1 4.22Å; W178-I213 HydrophobicContact CE3-CD1 3.56Å; W178-I213 HydrophobicContact CE3-CG2 4.32Å; W178-I213 HydrophobicContact CZ3-CD1 4.12Å; F211-I213 HydrophobicContact CB-CD1 4.16Å; I213-Y216 HydrophobicContact CG2-CE1 3.92Å; I213-R219 PolarHBondContact O-NH1 3.15Å; I213-L224 HydrophobicContact CB-CD1 4.22Å; I213-L224 HydrophobicContact CG1-CD1 4.16Å; I213-L224 HydrophobicContact CG2-CD1 3.65Å; I213-I231 HydrophobicContact CD1-CD1 3.66Å; I213-F255 HydrophobicContact CD1-CD1 4.11Å; I213-F255 HydrophobicContact CG1-CD1 4.31Å; I213-Y256 PolarHBondContact N-O 2.89Å; I213-I257 HydrophobicContact CB-CD1 3.97Å; I213-I257 HydrophobicContact CG1-CD1 3.78Å; I213-Y258 PolarHBondContact O-N 3.47Å; I213-Y258 VanDerWaalsContact O-N 3.1Å
214	Q	98.4	Very high	97.6	Very high	11 Å²	11	43 Å²	43	5%	0.051	21%	0.209	C	C	.	.			trans	-74.3	161.5	-179.5	-65.3	-63.5	-6.7	0	0	112	S177 W178 Y179 Q212 Y216 R219 Y258	S177-Q214 WeakPolarHBondContact OG-CG 3.2Å; S177-Q214 PolarHBondContact OG-NE2 2.87Å; W178-Q214 PolarHBondContact O-N 2.93Å; Y179-Q214 HydrophobicContact CD1-CB 4.21Å; Y179-Q214 HydrophobicContact CD2-CB 3.96Å; Y179-Q214 HydrophobicContact CD2-CG 4.01Å; Y179-Q214 HydrophobicContact CE1-CB 3.73Å; Y179-Q214 HydrophobicContact CE2-CB 3.49Å; Y179-Q214 VanDerWaalsContact CE2-CB 3.49Å; Y179-Q214 HydrophobicContact CE2-CG 3.52Å; Y179-Q214 HydrophobicContact CG-CB 4.3Å; Q212-Q214 PolarHBondContact O-N 3.18Å; Q214-Y216 VanDerWaalsContact O-CD1 3.31Å; Q214-Y216 WeakPolarHBondContact O-CD1 3.46Å; Q214-Y216 PolarHBondContact O-N 3.5Å; Q214-R219 VanDerWaalsContact C-NH1 3.26Å; Q214-R219 PolarHBondContact O-NH1 2.9Å; Q214-Y258 VanDerWaalsContact OE1-CD1 3.25Å
215	P	96.9	Very high	97.6	Very high	40 Å²	40	37.4 Å²	37.4	26%	0.26	19%	0.19	S	C	.	.			trans	-69.1	117.5	167.4	28.2	-33.5	0	0	0	109.1	Y179 Y258 L262	Y179-P215 WeakPolarHBondContact CE1-O 3.24Å; P215-Y258 HydrophobicContact CG-CD1 4.25Å; P215-L262 HydrophobicContact CB-CD1 4.33Å
216	Y	96.9	Very high	97.7	Very high	21 Å²	21	39.1 Å²	39.1	8%	0.082	20%	0.201	C	C	.	.			trans	-121.6	157.2	174	57.6	-96.1	0	0	0	110.6	P180 L183 I213 Q214 G218 R219 N227	P180-Y216 VanDerWaalsContact CD-CD1 3.45Å; P180-Y216 HydrophobicContact CG-CD1 3.72Å; P180-Y216 HydrophobicContact CG-CD2 4.02Å; P180-Y216 HydrophobicContact CG-CE1 3.66Å; P180-Y216 HydrophobicContact CG-CE2 3.97Å; P180-Y216 HydrophobicContact CG-CG 3.92Å; L183-Y216 HydrophobicContact CD1-CD2 3.93Å; L183-Y216 HydrophobicContact CD1-CG 4.21Å; I213-Y216 HydrophobicContact CG2-CE1 3.92Å; Q214-Y216 VanDerWaalsContact O-CD1 3.31Å; Q214-Y216 WeakPolarHBondContact O-CD1 3.46Å; Q214-Y216 PolarHBondContact O-N 3.5Å; Y216-G218 PolarHBondContact O-N 2.61Å; Y216-R219 HydrophobicContact CD1-CB 4.18Å; Y216-R219 HydrophobicContact CD1-CG 4.32Å; Y216-R219 HydrophobicContact CD2-CB 3.81Å; Y216-R219 HydrophobicContact CE1-CB 3.96Å; Y216-R219 HydrophobicContact CE1-CG 3.73Å; Y216-R219 VanDerWaalsContact CE2-CA 3.48Å; Y216-R219 HydrophobicContact CE2-CB 3.55Å; Y216-R219 HydrophobicContact CE2-CG 4.04Å; Y216-R219 HydrophobicContact CG-CB 4.09Å; Y216-R219 VanDerWaalsContact O-CB 3.27Å; Y216-R219 WeakPolarHBondContact O-CB 3.38Å; Y216-R219 PolarHBondContact O-N 3Å; Y216-N227 PolarHBondContact OH-ND2 2.73Å
217	R	93.9	Very high	97.8	Very high	238 Å²	238	38 Å²	38	90%	0.898	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	124.7	179.2	-175.4	178.4	-179.3	-177.3	0.7	110.4
218	G	94.8	Very high	97.8	Very high	51 Å²	51	38 Å²	38	53%	0.526	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	84	6	180	0	0	0	0	0	114.9	Y216 N220 T223	Y216-G218 PolarHBondContact O-N 2.61Å; G218-N220 PolarHBondContact O-N 3.05Å; G218-T223 PolarHBondContact O-OG1 2.75Å
219	R	97.6	Very high	97.8	Very high	25 Å²	25	39 Å²	39	9%	0.094	20%	0.196	C	C	.	.			trans	-59	124.7	174.2	-172.9	176.2	76	169.8	6.5	111.4	I213 Q214 Y216 T223 Y258 D259	I213-R219 PolarHBondContact O-NH1 3.15Å; Q214-R219 VanDerWaalsContact C-NH1 3.26Å; Q214-R219 PolarHBondContact O-NH1 2.9Å; Y216-R219 HydrophobicContact CD1-CB 4.18Å; Y216-R219 HydrophobicContact CD1-CG 4.32Å; Y216-R219 HydrophobicContact CD2-CB 3.81Å; Y216-R219 HydrophobicContact CE1-CB 3.96Å; Y216-R219 HydrophobicContact CE1-CG 3.73Å; Y216-R219 VanDerWaalsContact CE2-CA 3.48Å; Y216-R219 HydrophobicContact CE2-CB 3.55Å; Y216-R219 HydrophobicContact CE2-CG 4.04Å; Y216-R219 HydrophobicContact CG-CB 4.09Å; Y216-R219 VanDerWaalsContact O-CB 3.27Å; Y216-R219 WeakPolarHBondContact O-CB 3.38Å; Y216-R219 PolarHBondContact O-N 3Å; R219-T223 WeakPolarHBondContact CA-OG1 3.46Å; R219-Y258 PolarHBondContact NH1-O 3Å; R219-Y258 PolarHBondContact NH2-O 3.22Å; R219-D259 PolarHBondContact NH2-O 3.05Å
220	N	96.7	Very high	97.8	Very high	62 Å²	62	42.3 Å²	42.3	33%	0.332	21%	0.209	S	C	.	.	S	Bend	trans	-151	-176.1	173.7	60	23.1	0	0	0	109.5	G218 Q222 T223 L224	G218-N220 PolarHBondContact O-N 3.05Å; N220-Q222 PolarHBondContact OD1-N 3.43Å; N220-T223 PolarHBondContact N-OG1 3.15Å; N220-T223 PolarHBondContact O-OG1 3.17Å; N220-T223 WeakPolarHBondContact OD1-CB 3.37Å; N220-T223 WeakPolarHBondContact OD1-CG2 3.49Å; N220-T223 PolarHBondContact OD1-N 2.9Å; N220-T223 PolarHBondContact OD1-OG1 3.48Å; N220-L224 WeakPolarHBondContact O-CB 3.42Å; N220-L224 PolarHBondContact O-N 3.4Å
221	D	96.9	Very high	97.8	Very high	25 Å²	25	42.2 Å²	42.2	13%	0.134	21%	0.208	C	C	.	.	H	α-helix	trans	-53.7	-48.8	175.7	53.7	-18.5	0	0	0	113.1	L224 H225 S267 F271 H278	D221-L224 PolarHBondContact O-N 2.84Å; D221-H225 WeakPolarHBondContact O-CB 3.47Å; D221-H225 PolarHBondContact O-N 2.93Å; D221-S267 VanDerWaalsContact CB-O 3.31Å; D221-S267 WeakPolarHBondContact CB-O 3.37Å; D221-F271 HydrophobicContact CB-CB 4.02Å; D221-H278 IonicContact OD2-CE1 3.24Å; D221-H278 PolarHBondContact OD2-CE1 2.82Å; D221-H278 VanDerWaalsContact OD2-CE1 3.24Å; D221-H278 IonicContact OD2-NE2 3.83Å
222	Q	97.8	Very high	97.8	Very high	82 Å²	82	43.4 Å²	43.4	38%	0.383	21%	0.214	S	C	.	.	H	α-helix	trans	-67.3	-47.7	-178.7	-174.7	61.8	64.9	0	0	113.1	N220 L224 H225 D226	N220-Q222 PolarHBondContact OD1-N 3.43Å; Q222-L224 VanDerWaalsContact C-N 3.31Å; Q222-L224 PolarHBondContact O-N 2.87Å; Q222-H225 WeakPolarHBondContact O-CB 3.12Å; Q222-H225 PolarHBondContact O-N 2.89Å; Q222-D226 PolarHBondContact NE2-OD1 2.75Å; Q222-D226 PolarHBondContact O-N 3.32Å
223	T	97.9	Very high	97.7	Very high	42 Å²	42	47.7 Å²	47.7	26%	0.258	24%	0.237	S	C	.	.	H	α-helix	trans	-68.6	-33.1	178.8	52.4	0	0	0	0	111.3	G218 R219 N220 N227	G218-T223 PolarHBondContact O-OG1 2.75Å; R219-T223 WeakPolarHBondContact CA-OG1 3.46Å; N220-T223 PolarHBondContact N-OG1 3.15Å; N220-T223 PolarHBondContact O-OG1 3.17Å; N220-T223 WeakPolarHBondContact OD1-CB 3.37Å; N220-T223 WeakPolarHBondContact OD1-CG2 3.49Å; N220-T223 PolarHBondContact OD1-N 2.9Å; N220-T223 PolarHBondContact OD1-OG1 3.48Å; T223-N227 WeakPolarHBondContact O-CB 3.38Å; T223-N227 VanDerWaalsContact O-CG 3.27Å; T223-N227 PolarHBondContact O-N 3.19Å; T223-N227 PolarHBondContact O-ND2 2.57Å
224	L	97.9	Very high	97.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66.2	-45.4	171.8	-169.9	68.5	0	0	0	110.5	I213 N220 D221 Q222 D226 N227 I228 I257 W268 F271	I213-L224 HydrophobicContact CB-CD1 4.22Å; I213-L224 HydrophobicContact CG1-CD1 4.16Å; I213-L224 HydrophobicContact CG2-CD1 3.65Å; N220-L224 WeakPolarHBondContact O-CB 3.42Å; N220-L224 PolarHBondContact O-N 3.4Å; D221-L224 PolarHBondContact O-N 2.84Å; Q222-L224 VanDerWaalsContact C-N 3.31Å; Q222-L224 PolarHBondContact O-N 2.87Å; L224-D226 VanDerWaalsContact C-N 3.3Å; L224-D226 PolarHBondContact O-N 2.74Å; L224-N227 PolarHBondContact O-N 2.93Å; L224-N227 VanDerWaalsContact O-N 3.11Å; L224-I228 HydrophobicContact CG-CG1 4.29Å; L224-I228 VanDerWaalsContact O-CG1 3.31Å; L224-I228 WeakPolarHBondContact O-CG1 3.45Å; L224-I228 PolarHBondContact O-N 2.86Å; L224-I257 HydrophobicContact CD1-CD1 4.25Å; L224-I257 HydrophobicContact CD2-CD1 3.85Å; L224-I257 HydrophobicContact CD2-CG1 4.37Å; L224-W268 HydrophobicContact CB-CZ3 4.32Å; L224-W268 HydrophobicContact CD2-CE3 4.48Å; L224-W268 HydrophobicContact CD2-CH2 3.59Å; L224-W268 HydrophobicContact CD2-CZ3 3.36Å; L224-W268 HydrophobicContact CG-CZ3 4.45Å; L224-F271 HydrophobicContact CD2-CD1 4.42Å; L224-F271 HydrophobicContact CD2-CE1 3.78Å; L224-F271 HydrophobicContact CG-CE1 4.18Å
225	H	98.3	Very high	97.7	Very high	37 Å²	37	55 Å²	55	17%	0.171	26%	0.264	C	S	.	.	H	α-helix	trans	-51.5	-49.9	174.5	174.9	-76.7	0	0	0	111.6	D221 Q222 N227 I228 K229 F271 H278	D221-H225 WeakPolarHBondContact O-CB 3.47Å; D221-H225 PolarHBondContact O-N 2.93Å; Q222-H225 WeakPolarHBondContact O-CB 3.12Å; Q222-H225 PolarHBondContact O-N 2.89Å; H225-N227 VanDerWaalsContact C-N 3.32Å; H225-N227 PolarHBondContact O-N 2.99Å; H225-I228 PolarHBondContact O-N 2.82Å; H225-K229 PolarHBondContact O-N 3.22Å; H225-F271 HydrophobicContact CB-CD2 3.77Å; H225-F271 HydrophobicContact CB-CE2 3.58Å; H225-F271 HydrophobicContact CB-CZ 4.4Å; H225-F271 AromaticContact CD2-CD2 3.85Å; H225-F271 AromaticContact CD2-CE2 3.68Å; H225-F271 AromaticContact CG-CE2 3.99Å; H225-H278 PolarHBondContact CD2-O 3.44Å
226	D	98.5	Very high	97.8	Very high	84 Å²	84	53.4 Å²	53.4	45%	0.449	26%	0.255	S	S	.	.	H	α-helix	trans	-63.6	-38	179.8	-64.1	-16.8	0	0	0	112.2	Q222 L224 K229 Y230	Q222-D226 PolarHBondContact NE2-OD1 2.75Å; Q222-D226 PolarHBondContact O-N 3.32Å; L224-D226 VanDerWaalsContact C-N 3.3Å; L224-D226 PolarHBondContact O-N 2.74Å; D226-K229 PolarHBondContact O-N 3.46Å; D226-Y230 WeakPolarHBondContact O-CB 3.47Å; D226-Y230 PolarHBondContact O-N 3Å
227	N	98.6	Very high	97.9	Very high	21 Å²	21	60.3 Å²	60.3	11%	0.112	29%	0.293	C	S	.	.	H	α-helix	trans	-70.7	-35.6	176.6	-76.2	-47.4	0	0	0	113.2	W178 P180 Y216 T223 L224 H225 Y230 I231	W178-N227 HydrophobicContact CH2-CB 3.82Å; W178-N227 WeakPolarHBondContact CH2-OD1 3.42Å; W178-N227 HydrophobicContact CZ3-CB 3.94Å; P180-N227 WeakPolarHBondContact CG-ND2 3.38Å; Y216-N227 PolarHBondContact OH-ND2 2.73Å; T223-N227 WeakPolarHBondContact O-CB 3.38Å; T223-N227 VanDerWaalsContact O-CG 3.27Å; T223-N227 PolarHBondContact O-N 3.19Å; T223-N227 PolarHBondContact O-ND2 2.57Å; L224-N227 PolarHBondContact O-N 2.93Å; L224-N227 VanDerWaalsContact O-N 3.11Å; H225-N227 VanDerWaalsContact C-N 3.32Å; H225-N227 PolarHBondContact O-N 2.99Å; N227-Y230 WeakPolarHBondContact O-CB 3.34Å; N227-Y230 PolarHBondContact O-N 3.12Å; N227-I231 VanDerWaalsContact O-CG1 3.31Å; N227-I231 WeakPolarHBondContact O-CG1 3.24Å; N227-I231 PolarHBondContact O-N 3.46Å
228	I	98.8	Very high	98.1	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-63.5	-45.8	172.8	-66.2	-56.9	0	0	0	110.2	L224 H225 Y230 I231 I232 F255 F271 F289	L224-I228 HydrophobicContact CG-CG1 4.29Å; L224-I228 VanDerWaalsContact O-CG1 3.31Å; L224-I228 WeakPolarHBondContact O-CG1 3.45Å; L224-I228 PolarHBondContact O-N 2.86Å; H225-I228 PolarHBondContact O-N 2.82Å; I228-Y230 VanDerWaalsContact C-N 3.33Å; I228-Y230 PolarHBondContact O-N 2.97Å; I228-I231 PolarHBondContact O-N 2.84Å; I228-I232 HydrophobicContact CG2-CD1 3.67Å; I228-I232 HydrophobicContact CG2-CG1 4.44Å; I228-I232 WeakPolarHBondContact O-CB 3.29Å; I228-I232 WeakPolarHBondContact O-CG1 3.34Å; I228-I232 PolarHBondContact O-N 3.05Å; I228-F255 HydrophobicContact CD1-CB 4.34Å; I228-F255 HydrophobicContact CD1-CD1 3.57Å; I228-F255 HydrophobicContact CD1-CD2 3.7Å; I228-F255 HydrophobicContact CD1-CE1 3.66Å; I228-F255 HydrophobicContact CD1-CE2 3.78Å; I228-F255 HydrophobicContact CD1-CG 3.6Å; I228-F255 HydrophobicContact CD1-CZ 3.77Å; I228-F255 HydrophobicContact CG2-CE2 4.14Å; I228-F255 HydrophobicContact CG2-CZ 4.39Å; I228-F271 HydrophobicContact CG1-CZ 4.13Å; I228-F289 HydrophobicContact CD1-CE1 3.81Å; I228-F289 HydrophobicContact CD1-CZ 4.43Å; I228-F289 HydrophobicContact CG1-CE1 3.8Å; I228-F289 HydrophobicContact CG1-CZ 4.14Å; I228-F289 HydrophobicContact CG2-CZ 4.38Å
229	K	98.8	Very high	98.2	Very high	75 Å²	75	50.6 Å²	50.6	33%	0.326	25%	0.254	S	S	.	.	H	α-helix	trans	-57.1	-47.5	173.3	169.5	166.6	169.7	50.3	0	111.3	H225 D226 I231 I232 D233 Y285	H225-K229 PolarHBondContact O-N 3.22Å; D226-K229 PolarHBondContact O-N 3.46Å; K229-I231 PolarHBondContact O-N 3.1Å; K229-I232 PolarHBondContact O-N 3.38Å; K229-D233 WeakPolarHBondContact CG-OD2 3.32Å; K229-D233 IonicContact NZ-OD1 2.63Å; K229-D233 IonicContact NZ-OD2 2.69Å; K229-D233 PolarHBondContact NZ-OD2 2.84Å; K229-D233 VanDerWaalsContact O-CB 3.29Å; K229-D233 WeakPolarHBondContact O-CB 3.41Å; K229-D233 VanDerWaalsContact O-CG 3.26Å; K229-D233 PolarHBondContact O-N 3.04Å; K229-Y285 HydrophobicContact CB-CD1 4.17Å; K229-Y285 HydrophobicContact CB-CD2 4.36Å; K229-Y285 HydrophobicContact CB-CE1 4.11Å; K229-Y285 HydrophobicContact CB-CE2 4.3Å; K229-Y285 HydrophobicContact CB-CG 4.31Å; K229-Y285 HydrophobicContact CD-CE2 3.78Å; K229-Y285 HydrophobicContact CG-CD1 4.38Å; K229-Y285 HydrophobicContact CG-CE1 3.82Å; K229-Y285 HydrophobicContact CG-CE2 3.96Å; K229-Y285 PolarHBondContact NZ-OH 3.42Å
230	Y	98.8	Very high	98.3	Very high	71 Å²	71	49.4 Å²	49.4	28%	0.278	25%	0.249	S	C	.	.	H	α-helix	trans	-56.9	-50.9	177.2	174.6	-94.2	0	0	0	112.2	W178 P181 E192 D226 N227 I228 I232 R234 Y235	W178-Y230 AromaticContact CZ2-CD1 3.99Å; W178-Y230 HydrophobicContact CZ2-CD1 3.99Å; W178-Y230 HydrophobicContact CZ2-CE1 4.16Å; P181-Y230 HydrophobicContact CG-CD1 4.46Å; P181-Y230 HydrophobicContact CG-CE1 3.75Å; P181-Y230 HydrophobicContact CG-CE2 4.09Å; E192-Y230 HydrophobicContact CG-CE1 4.39Å; E192-Y230 WeakPolarHBondContact OE1-CE1 3.19Å; E192-Y230 VanDerWaalsContact OE1-CZ 3.28Å; E192-Y230 PolarHBondContact OE1-OH 3.45Å; E192-Y230 PolarHBondContact OE2-OH 3.28Å; D226-Y230 WeakPolarHBondContact O-CB 3.47Å; D226-Y230 PolarHBondContact O-N 3Å; N227-Y230 WeakPolarHBondContact O-CB 3.34Å; N227-Y230 PolarHBondContact O-N 3.12Å; I228-Y230 VanDerWaalsContact C-N 3.33Å; I228-Y230 PolarHBondContact O-N 2.97Å; Y230-I232 PolarHBondContact O-N 3.37Å; Y230-R234 WeakPolarHBondContact O-CB 3.43Å; Y230-R234 PolarHBondContact O-N 2.97Å; Y230-Y235 HydrophobicContact CE1-CE2 4.21Å
231	I	98.9	Very high	98.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.7	-45.7	-178.9	-69.8	165.6	0	0	0	110.8	W178 F211 I213 N227 I228 K229 Y235 F241 F255	W178-I231 HydrophobicContact CD2-CD1 3.89Å; W178-I231 HydrophobicContact CD2-CG1 4.5Å; W178-I231 HydrophobicContact CE3-CD1 3.99Å; W178-I231 HydrophobicContact CH2-CD1 3.95Å; W178-I231 HydrophobicContact CH2-CG1 4.16Å; W178-I231 HydrophobicContact CZ2-CD1 3.89Å; W178-I231 HydrophobicContact CZ2-CG1 3.77Å; W178-I231 HydrophobicContact CZ3-CD1 4.02Å; F211-I231 HydrophobicContact CD1-CD1 4.33Å; F211-I231 HydrophobicContact CD1-CG2 4.46Å; F211-I231 HydrophobicContact CD2-CG2 3.84Å; F211-I231 HydrophobicContact CE1-CG2 4.28Å; F211-I231 HydrophobicContact CE2-CG2 3.66Å; F211-I231 HydrophobicContact CG-CD1 4.41Å; F211-I231 HydrophobicContact CG-CG2 4.25Å; F211-I231 HydrophobicContact CZ-CG2 3.89Å; I213-I231 HydrophobicContact CD1-CD1 3.66Å; N227-I231 VanDerWaalsContact O-CG1 3.31Å; N227-I231 WeakPolarHBondContact O-CG1 3.24Å; N227-I231 PolarHBondContact O-N 3.46Å; I228-I231 PolarHBondContact O-N 2.84Å; K229-I231 PolarHBondContact O-N 3.1Å; I231-Y235 HydrophobicContact CG2-CD2 4.21Å; I231-Y235 WeakPolarHBondContact O-CA 3.46Å; I231-Y235 VanDerWaalsContact O-CB 3.28Å; I231-Y235 WeakPolarHBondContact O-CB 3.41Å; I231-Y235 WeakPolarHBondContact O-CD2 3.32Å; I231-Y235 PolarHBondContact O-N 2.86Å; I231-F241 HydrophobicContact CG2-CE2 3.81Å; I231-F241 HydrophobicContact CG2-CZ 4.35Å; I231-F255 HydrophobicContact CB-CE1 4.29Å; I231-F255 HydrophobicContact CB-CZ 4.45Å; I231-F255 HydrophobicContact CD1-CE1 3.88Å; I231-F255 HydrophobicContact CG2-CE1 3.8Å; I231-F255 HydrophobicContact CG2-CZ 3.97Å
232	I	98.8	Very high	98.5	Very high	26 Å²	26	46.4 Å²	46.4	13%	0.133	23%	0.232	C	C	.	.	H	α-helix	trans	-68.4	-47.1	-178.7	-67.5	172.1	0	0	0	111.1	I228 K229 Y230 R234 G236 F241 P253 F255 Y285	I228-I232 HydrophobicContact CG2-CD1 3.67Å; I228-I232 HydrophobicContact CG2-CG1 4.44Å; I228-I232 WeakPolarHBondContact O-CB 3.29Å; I228-I232 WeakPolarHBondContact O-CG1 3.34Å; I228-I232 PolarHBondContact O-N 3.05Å; K229-I232 PolarHBondContact O-N 3.38Å; Y230-I232 PolarHBondContact O-N 3.37Å; I232-R234 VanDerWaalsContact C-N 3.27Å; I232-R234 PolarHBondContact O-N 2.85Å; I232-G236 VanDerWaalsContact O-CA 3.24Å; I232-G236 WeakPolarHBondContact O-CA 3.38Å; I232-G236 PolarHBondContact O-N 3.12Å; I232-F241 HydrophobicContact CG1-CZ 4.39Å; I232-P253 HydrophobicContact CD1-CG 4.08Å; I232-P253 HydrophobicContact CG1-CG 4.36Å; I232-F255 HydrophobicContact CD1-CE2 4.38Å; I232-F255 HydrophobicContact CG1-CZ 4.25Å; I232-Y285 HydrophobicContact CB-CD1 4.03Å; I232-Y285 HydrophobicContact CB-CE1 4.42Å; I232-Y285 HydrophobicContact CD1-CD1 4.08Å; I232-Y285 HydrophobicContact CG2-CD1 4Å; I232-Y285 HydrophobicContact CG2-CE1 4.25Å
233	D	98.7	Very high	98.5	Very high	90 Å²	90	47.1 Å²	47.1	48%	0.481	23%	0.234	S	C	.	.	H	α-helix	trans	-62.4	-36.5	178.9	-73.6	-17.7	0	0	0	111.6	K229 Y285	K229-D233 WeakPolarHBondContact CG-OD2 3.32Å; K229-D233 IonicContact NZ-OD1 2.63Å; K229-D233 IonicContact NZ-OD2 2.69Å; K229-D233 PolarHBondContact NZ-OD2 2.84Å; K229-D233 VanDerWaalsContact O-CB 3.29Å; K229-D233 WeakPolarHBondContact O-CB 3.41Å; K229-D233 VanDerWaalsContact O-CG 3.26Å; K229-D233 PolarHBondContact O-N 3.04Å; D233-Y285 WeakPolarHBondContact OD1-CE1 3.11Å; D233-Y285 PolarHBondContact OD1-OH 3.46Å; D233-Y285 PolarHBondContact OD2-OH 3.37Å
234	R	98.6	Very high	98.4	Very high	151 Å²	151	45.9 Å²	45.9	57%	0.57	23%	0.225	S	C	*	.	H	α-helix	trans	-83.7	-36.4	-175.3	-167.5	70.4	-174.3	100.9	-0.9	113.2	Y230 I232	Y230-R234 WeakPolarHBondContact O-CB 3.43Å; Y230-R234 PolarHBondContact O-N 2.97Å; I232-R234 VanDerWaalsContact C-N 3.27Å; I232-R234 PolarHBondContact O-N 2.85Å
235	Y	98.7	Very high	98.1	Very high	12 Å²	12	47.9 Å²	47.9	5%	0.047	24%	0.237	C	C	.	.	H	α-helix	trans	-126.4	-13.9	-166.4	-52.8	-54.5	0	0	0	114.6	E192 V195 P196 L199 F211 Y230 I231 D237 H238 F241	E192-Y235 PolarHBondContact OE1-OH 3.17Å; V195-Y235 HydrophobicContact CB-CE1 4.12Å; V195-Y235 HydrophobicContact CB-CE2 4.08Å; V195-Y235 HydrophobicContact CG1-CD1 3.9Å; V195-Y235 HydrophobicContact CG1-CD2 3.76Å; V195-Y235 HydrophobicContact CG1-CE1 3.71Å; V195-Y235 HydrophobicContact CG1-CE2 3.57Å; V195-Y235 HydrophobicContact CG1-CG 3.93Å; P196-Y235 HydrophobicContact CG-CE1 4.01Å; L199-Y235 HydrophobicContact CD1-CD1 3.65Å; L199-Y235 HydrophobicContact CD1-CE1 4.49Å; L199-Y235 HydrophobicContact CD1-CG 3.91Å; F211-Y235 HydrophobicContact CZ-CD2 4.16Å; Y230-Y235 HydrophobicContact CE1-CE2 4.21Å; I231-Y235 HydrophobicContact CG2-CD2 4.21Å; I231-Y235 WeakPolarHBondContact O-CA 3.46Å; I231-Y235 VanDerWaalsContact O-CB 3.28Å; I231-Y235 WeakPolarHBondContact O-CB 3.41Å; I231-Y235 WeakPolarHBondContact O-CD2 3.32Å; I231-Y235 PolarHBondContact O-N 2.86Å; Y235-D237 PolarHBondContact O-N 2.82Å; Y235-D237 VanDerWaalsContact O-N 3.15Å; Y235-H238 WeakPolarHBondContact O-CB 3.45Å; Y235-H238 PolarHBondContact O-N 2.66Å; Y235-F241 WeakPolarHBondContact O-CB 3.33Å; Y235-F241 WeakPolarHBondContact O-CD2 3.38Å
236	G	98.2	Very high	97.5	Very high	7 Å²	7	47.6 Å²	47.6	7%	0.072	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-19.4	-168.9	0	0	0	0	0	116	I232	I232-G236 VanDerWaalsContact O-CA 3.24Å; I232-G236 WeakPolarHBondContact O-CA 3.38Å; I232-G236 PolarHBondContact O-N 3.12Å
237	D	98.1	Very high	96.6	Very high	166 Å²	166	49 Å²	49	89%	0.888	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-7.4	175.4	-70.7	-23.6	0	0	0	113	Y235	Y235-D237 PolarHBondContact O-N 2.82Å; Y235-D237 VanDerWaalsContact O-N 3.15Å
238	H	98.7	Very high	95.9	Very high	51 Å²	51	53.7 Å²	53.7	24%	0.236	29%	0.285	C	S	.	.	S	Bend	trans	-69.2	137.8	-179.3	-165.5	-87.6	0	0	0	111.4	L199 D200 Y235 A240 F241	L199-H238 HydrophobicContact CD1-CB 4.27Å; L199-H238 HydrophobicContact CD2-CB 4.39Å; L199-H238 PolarHBondContact O-CE1 2.96Å; D200-H238 IonicContact OD1-NE2 2.94Å; D200-H238 PolarHBondContact OD1-NE2 2.88Å; Y235-H238 WeakPolarHBondContact O-CB 3.45Å; Y235-H238 PolarHBondContact O-N 2.66Å; H238-A240 PolarHBondContact ND1-N 3.49Å; H238-A240 VanDerWaalsContact ND1-N 3.12Å; H238-A240 PolarHBondContact O-N 2.87Å; H238-A240 VanDerWaalsContact O-N 3.1Å; H238-F241 HydrophobicContact CB-CB 4.36Å; H238-F241 VanDerWaalsContact O-CB 3.26Å; H238-F241 WeakPolarHBondContact O-CB 3.37Å; H238-F241 PolarHBondContact O-N 2.76Å
239	G	97.9	Very high	95.3	Very high	35 Å²	35	56.2 Å²	56.2	36%	0.361	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-22	-176.4	0	0	0	0	0	114.9	Y203 K208	Y203-G239 VanDerWaalsContact CD2-C 3.5Å; K208-G239 PolarHBondContact NZ-O 3.44Å
240	A	98.5	Very high	94.9	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-7.9	172.9	0	0	0	0	0	114.3	L199 A202 Y203 K208 V209 H238 Y242	L199-A240 HydrophobicContact CD2-CB 4.09Å; L199-A240 WeakPolarHBondContact O-CB 3.3Å; A202-A240 HydrophobicContact CB-CB 4.04Å; Y203-A240 HydrophobicContact CD2-CB 4.45Å; K208-A240 CarbonylContact C-O 3.24Å; K208-A240 WeakPolarHBondContact CA-O 3.47Å; V209-A240 HydrophobicContact CG2-CB 4.43Å; V209-A240 PolarHBondContact N-O 3.49Å; H238-A240 PolarHBondContact ND1-N 3.49Å; H238-A240 VanDerWaalsContact ND1-N 3.12Å; H238-A240 PolarHBondContact O-N 2.87Å; H238-A240 VanDerWaalsContact O-N 3.1Å; A240-Y242 PolarHBondContact O-N 3.37Å
241	F	98.8	Very high	94.7	Very high	14 Å²	14	56.9 Å²	56.9	6%	0.061	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-63.2	121.7	179	-171.8	-84.1	0	0	0	110.3	F211 I231 I232 Y235 H238 K243 P253 F255	F211-F241 HydrophobicContact CD2-CE2 4.24Å; F211-F241 AromaticContact CE2-CD2 3.95Å; F211-F241 HydrophobicContact CE2-CD2 3.95Å; F211-F241 AromaticContact CE2-CE2 3.59Å; F211-F241 HydrophobicContact CE2-CE2 3.59Å; F211-F241 HydrophobicContact CE2-CZ 4.5Å; F211-F241 HydrophobicContact CZ-CE2 4.49Å; I231-F241 HydrophobicContact CG2-CE2 3.81Å; I231-F241 HydrophobicContact CG2-CZ 4.35Å; I232-F241 HydrophobicContact CG1-CZ 4.39Å; Y235-F241 WeakPolarHBondContact O-CB 3.33Å; Y235-F241 WeakPolarHBondContact O-CD2 3.38Å; H238-F241 HydrophobicContact CB-CB 4.36Å; H238-F241 VanDerWaalsContact O-CB 3.26Å; H238-F241 WeakPolarHBondContact O-CB 3.37Å; H238-F241 PolarHBondContact O-N 2.76Å; F241-K243 HydrophobicContact CD1-CG 4.26Å; F241-P253 HydrophobicContact CE1-CB 3.66Å; F241-P253 HydrophobicContact CE1-CG 3.82Å; F241-P253 HydrophobicContact CZ-CB 3.97Å; F241-P253 HydrophobicContact CZ-CG 4.32Å; F241-F255 HydrophobicContact CZ-CZ 4.39Å
242	Y	98.6	Very high	94.7	Very high	10 Å²	10	57.7 Å²	57.7	4%	0.039	33%	0.328	C	S	.	.			trans	-74.7	134.8	-173.5	-178.7	-104.9	0	0	0	111.9	Y91 H94 V173 K208 V209 A210 A240 F244 L254	Y91-Y242 PolarHBondContact O-OH 3.22Å; H94-Y242 AromaticContact CE1-CE1 3.64Å; H94-Y242 AromaticContact CE1-CZ 3.67Å; H94-Y242 AromaticContact NE2-CE1 3.93Å; H94-Y242 AromaticContact NE2-CZ 3.46Å; H94-Y242 PolarHBondContact NE2-OH 2.97Å; H94-Y242 VanDerWaalsContact NE2-OH 3.15Å; V173-Y242 HydrophobicContact CB-CD2 4.36Å; V173-Y242 HydrophobicContact CB-CE2 4.49Å; V173-Y242 HydrophobicContact CG1-CD1 4.3Å; V173-Y242 HydrophobicContact CG1-CD2 3.87Å; V173-Y242 HydrophobicContact CG1-CE2 4.33Å; V173-Y242 HydrophobicContact CG1-CG 3.83Å; V173-Y242 HydrophobicContact CG2-CD2 3.52Å; V173-Y242 HydrophobicContact CG2-CE2 3.38Å; V173-Y242 HydrophobicContact CG2-CG 4.32Å; K208-Y242 HydrophobicContact CB-CD2 3.69Å; K208-Y242 HydrophobicContact CB-CG 4.26Å; K208-Y242 HydrophobicContact CG-CD2 4.1Å; V209-Y242 WeakPolarHBondContact O-CB 3.23Å; V209-Y242 PolarHBondContact O-N 2.83Å; A210-Y242 HydrophobicContact CB-CD1 4.04Å; A210-Y242 HydrophobicContact CB-CG 4.33Å; A240-Y242 PolarHBondContact O-N 3.37Å; Y242-F244 HydrophobicContact CE1-CB 3.96Å; Y242-L254 HydrophobicContact CD1-CB 3.98Å; Y242-L254 HydrophobicContact CE1-CB 3.9Å; Y242-L254 HydrophobicContact CE1-CD1 4.31Å
243	K	97.8	Very high	94.6	Very high	96 Å²	96	57.1 Å²	57.1	42%	0.417	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	124.4	168.7	-60.8	-179	-174.9	175.6	0	109.1	F241 S251 L252	F241-K243 HydrophobicContact CD1-CG 4.26Å; K243-S251 WeakPolarHBondContact CB-OG 3.46Å; K243-L252 CarbonylContact C-O 3.25Å; K243-L252 WeakPolarHBondContact CA-O 3.41Å
244	F	96.1	Very high	94.6	Very high	16 Å²	16	52.9 Å²	52.9	7%	0.07	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	128.7	172.2	176.4	-105.4	0	0	0	109.7	Y242 S251 L252 L254 M288 L341 I386	Y242-F244 HydrophobicContact CE1-CB 3.96Å; F244-S251 CarbonylContact O-C 3.6Å; F244-S251 WeakPolarHBondContact O-CA 3.34Å; F244-L252 PolarHBondContact N-O 3.49Å; F244-L252 PolarHBondContact O-N 3.31Å; F244-L254 HydrophobicContact CB-CB 4.25Å; F244-L254 HydrophobicContact CB-CD1 3.9Å; F244-L254 HydrophobicContact CG-CD1 4.22Å; F244-M288 HydrophobicContact CB-CG 4.36Å; F244-M288 HydrophobicContact CD1-CE 4.16Å; F244-M288 HydrophobicContact CD1-CG 4.05Å; F244-M288 HydrophobicContact CD1-SD 4.45Å; F244-M288 HydrophobicContact CE1-CE 4.26Å; F244-L341 HydrophobicContact CD1-CD1 4.45Å; F244-L341 HydrophobicContact CE1-CD1 3.95Å; F244-L341 HydrophobicContact CZ-CD1 4.08Å; F244-L341 HydrophobicContact CZ-CD2 4.15Å; F244-I386 HydrophobicContact CD2-CD1 3.73Å; F244-I386 HydrophobicContact CE2-CD1 3.76Å; F244-I386 HydrophobicContact CE2-CG1 4.28Å
245	T	93.1	Very high	94.7	Very high	43 Å²	43	45.8 Å²	45.8	26%	0.264	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	114.1	175.8	-56.6	0	0	0	0	109.6	L80 K250 S251	L80-T245 HydrophobicContact CD1-CG2 4.4Å; T245-K250 WeakPolarHBondContact CA-O 3.5Å; T245-S251 PolarHBondContact OG1-OG 3.19Å
246	S	85.3	Confident	94.7	Very high	30 Å²	30	45.2 Å²	45.2	21%	0.21	27%	0.274	C	S	.	.			trans	-71	169.1	179.6	75.4	0	0	0	0	112.2	T248 G249 K250	S246-T248 PolarHBondContact O-N 2.94Å; S246-T248 VanDerWaalsContact O-N 3.12Å; S246-T248 PolarHBondContact OG-N 3.34Å; S246-T248 PolarHBondContact OG-OG1 3.33Å; S246-G249 PolarHBondContact O-N 2.93Å; S246-K250 PolarHBondContact N-O 3.3Å; S246-K250 PolarHBondContact OG-N 2.85Å; S246-K250 PolarHBondContact OG-O 2.74Å
247	S	79.4	Confident	94.7	Very high	113 Å²	113	44.9 Å²	44.9	79%	0.79	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-16.6	173.8	61.8	0	0	0	0	114.3	G249	S247-G249 VanDerWaalsContact C-N 3.35Å
248	T	82.8	Confident	94.7	Very high	121 Å²	121	38.5 Å²	38.5	74%	0.742	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-1	174	60.9	0	0	0	0	113	S246 K250	S246-T248 PolarHBondContact O-N 2.94Å; S246-T248 VanDerWaalsContact O-N 3.12Å; S246-T248 PolarHBondContact OG-N 3.34Å; S246-T248 PolarHBondContact OG-OG1 3.33Å; T248-K250 VanDerWaalsContact C-N 3.32Å
249	G	86.6	Confident	94.7	Very high	53 Å²	53	37.2 Å²	37.2	55%	0.546	23%	0.229	S	C	.	.	S	Bend	trans	82.6	4.1	-177.4	0	0	0	0	0	114.2	S246 S247 S251	S246-G249 PolarHBondContact O-N 2.93Å; S247-G249 VanDerWaalsContact C-N 3.35Å; G249-S251 PolarHBondContact O-N 3.27Å
250	K	90.1	Very high	94.8	Very high	100 Å²	100	35.7 Å²	35.7	44%	0.435	21%	0.213	S	C	.	.			trans	-73.1	122.3	175.1	-165	-174.7	-177.8	-170.4	0	108.6	T245 S246 T248 L252 D286	T245-K250 WeakPolarHBondContact CA-O 3.5Å; S246-K250 PolarHBondContact N-O 3.3Å; S246-K250 PolarHBondContact OG-N 2.85Å; S246-K250 PolarHBondContact OG-O 2.74Å; T248-K250 VanDerWaalsContact C-N 3.32Å; K250-L252 HydrophobicContact CD-CD1 3.91Å; K250-L252 HydrophobicContact CD-CD2 4.39Å; K250-L252 HydrophobicContact CD-CG 4.07Å; K250-L252 HydrophobicContact CG-CD1 4.45Å; K250-L252 HydrophobicContact CG-CD2 4.4Å; K250-L252 HydrophobicContact CG-CG 4.08Å; K250-D286 IonicContact NZ-OD2 3.2Å; K250-D286 PolarHBondContact NZ-OD2 2.89Å
251	S	95.4	Very high	94.7	Very high	60 Å²	60	40.1 Å²	40.1	42%	0.42	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	117.7	177.7	-164	0	0	0	0	109.8	K243 F244 T245 G249	K243-S251 WeakPolarHBondContact CB-OG 3.46Å; F244-S251 CarbonylContact O-C 3.6Å; F244-S251 WeakPolarHBondContact O-CA 3.34Å; T245-S251 PolarHBondContact OG1-OG 3.19Å; G249-S251 PolarHBondContact O-N 3.27Å
252	L	97.6	Very high	94.7	Very high	18 Å²	18	44.7 Å²	44.7	9%	0.094	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	145.5	-174.8	-72	-176.4	0	0	0	111.3	K243 F244 K250 D286 M288	K243-L252 CarbonylContact C-O 3.25Å; K243-L252 WeakPolarHBondContact CA-O 3.41Å; F244-L252 PolarHBondContact N-O 3.49Å; F244-L252 PolarHBondContact O-N 3.31Å; K250-L252 HydrophobicContact CD-CD1 3.91Å; K250-L252 HydrophobicContact CD-CD2 4.39Å; K250-L252 HydrophobicContact CD-CG 4.07Å; K250-L252 HydrophobicContact CG-CD1 4.45Å; K250-L252 HydrophobicContact CG-CD2 4.4Å; K250-L252 HydrophobicContact CG-CG 4.08Å; L252-D286 HydrophobicContact CD2-CB 4.47Å; L252-D286 WeakPolarHBondContact CD2-O 3.39Å; L252-M288 HydrophobicContact CB-CG 3.97Å; L252-M288 HydrophobicContact CD1-CG 4.3Å; L252-M288 HydrophobicContact CD1-SD 3.88Å
253	P	98.5	Very high	94.6	Very high	13 Å²	13	44.7 Å²	44.7	8%	0.084	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.8	150.5	164.3	-23.8	34	0	0	0	111.4	I232 F241 F255 S287 M288	I232-P253 HydrophobicContact CD1-CG 4.08Å; I232-P253 HydrophobicContact CG1-CG 4.36Å; F241-P253 HydrophobicContact CE1-CB 3.66Å; F241-P253 HydrophobicContact CE1-CG 3.82Å; F241-P253 HydrophobicContact CZ-CB 3.97Å; F241-P253 HydrophobicContact CZ-CG 4.32Å; P253-F255 HydrophobicContact CB-CD2 4.37Å; P253-F255 HydrophobicContact CB-CE2 3.64Å; P253-F255 HydrophobicContact CB-CZ 4.29Å; P253-S287 CarbonylContact O-C 3.51Å; P253-S287 WeakPolarHBondContact O-CA 3.49Å; P253-M288 PolarHBondContact O-N 3.2Å
254	L	98.8	Very high	94.6	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	127.9	176.5	-173.2	153.2	0	0	0	110.9	Y242 F244 Y256 M288 I290 I386	Y242-L254 HydrophobicContact CD1-CB 3.98Å; Y242-L254 HydrophobicContact CE1-CB 3.9Å; Y242-L254 HydrophobicContact CE1-CD1 4.31Å; F244-L254 HydrophobicContact CB-CB 4.25Å; F244-L254 HydrophobicContact CB-CD1 3.9Å; F244-L254 HydrophobicContact CG-CD1 4.22Å; L254-Y256 HydrophobicContact CD2-CD2 3.69Å; L254-Y256 HydrophobicContact CD2-CE1 4.36Å; L254-Y256 HydrophobicContact CD2-CE2 3.19Å; L254-Y256 HydrophobicContact CD2-CG 4.46Å; L254-M288 WeakPolarHBondContact CA-O 3.33Å; L254-M288 HydrophobicContact CB-CB 4.09Å; L254-M288 HydrophobicContact CD1-CB 4.15Å; L254-M288 HydrophobicContact CG-CB 3.94Å; L254-I290 HydrophobicContact CD1-CD1 4.37Å; L254-I290 HydrophobicContact CD1-CG1 4.23Å; L254-I290 HydrophobicContact CD2-CG1 3.94Å; L254-I290 HydrophobicContact CG-CG1 4.03Å; L254-I386 HydrophobicContact CD1-CD1 4.1Å
255	F	98.9	Very high	94.7	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.6	-178.5	-64.9	-85.2	0	0	0	111.1	F211 I213 I228 I231 I232 F241 P253 I257 S287 M288 F289 I290	F211-F255 HydrophobicContact CB-CD1 3.81Å; F211-F255 HydrophobicContact CB-CE1 3.98Å; F211-F255 HydrophobicContact CD2-CE1 4.15Å; F211-F255 HydrophobicContact CG-CE1 4.29Å; I213-F255 HydrophobicContact CD1-CD1 4.11Å; I213-F255 HydrophobicContact CG1-CD1 4.31Å; I228-F255 HydrophobicContact CD1-CB 4.34Å; I228-F255 HydrophobicContact CD1-CD1 3.57Å; I228-F255 HydrophobicContact CD1-CD2 3.7Å; I228-F255 HydrophobicContact CD1-CE1 3.66Å; I228-F255 HydrophobicContact CD1-CE2 3.78Å; I228-F255 HydrophobicContact CD1-CG 3.6Å; I228-F255 HydrophobicContact CD1-CZ 3.77Å; I228-F255 HydrophobicContact CG2-CE2 4.14Å; I228-F255 HydrophobicContact CG2-CZ 4.39Å; I231-F255 HydrophobicContact CB-CE1 4.29Å; I231-F255 HydrophobicContact CB-CZ 4.45Å; I231-F255 HydrophobicContact CD1-CE1 3.88Å; I231-F255 HydrophobicContact CG2-CE1 3.8Å; I231-F255 HydrophobicContact CG2-CZ 3.97Å; I232-F255 HydrophobicContact CD1-CE2 4.38Å; I232-F255 HydrophobicContact CG1-CZ 4.25Å; F241-F255 HydrophobicContact CZ-CZ 4.39Å; P253-F255 HydrophobicContact CB-CD2 4.37Å; P253-F255 HydrophobicContact CB-CE2 3.64Å; P253-F255 HydrophobicContact CB-CZ 4.29Å; F255-I257 HydrophobicContact CB-CD1 4.21Å; F255-S287 WeakPolarHBondContact CE2-OG 3.32Å; F255-M288 PolarHBondContact N-O 2.74Å; F255-F289 HydrophobicContact CB-CD1 4.31Å; F255-F289 HydrophobicContact CD2-CE1 4.39Å; F255-I290 PolarHBondContact O-N 3.13Å
256	Y	98.9	Very high	95	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	128.4	169.3	-65.3	-91.9	0	0	0	109.3	H94 F96 V175 F211 Q212 I213 L254 I290 Y311 I343 T388	H94-Y256 PolarHBondContact CE1-OH 3.22Å; H94-Y256 AromaticContact ND1-CE2 3.8Å; H94-Y256 AromaticContact ND1-CZ 3.69Å; H94-Y256 PolarHBondContact ND1-OH 3.48Å; F96-Y256 HydrophobicContact CE1-CD1 4.49Å; F96-Y256 HydrophobicContact CE1-CG 4.35Å; F96-Y256 HydrophobicContact CZ-CD1 4.44Å; V175-Y256 HydrophobicContact CB-CD2 4.44Å; V175-Y256 HydrophobicContact CB-CE2 4.44Å; V175-Y256 HydrophobicContact CG1-CD2 3.36Å; V175-Y256 HydrophobicContact CG1-CE2 3.78Å; V175-Y256 HydrophobicContact CG1-CG 4.17Å; V175-Y256 HydrophobicContact CG2-CD2 4.22Å; V175-Y256 HydrophobicContact CG2-CE2 3.73Å; F211-Y256 PolarHBondContact O-N 3.12Å; Q212-Y256 CarbonylContact C-O 3.55Å; Q212-Y256 WeakPolarHBondContact CA-O 3.3Å; I213-Y256 PolarHBondContact N-O 2.89Å; L254-Y256 HydrophobicContact CD2-CD2 3.69Å; L254-Y256 HydrophobicContact CD2-CE1 4.36Å; L254-Y256 HydrophobicContact CD2-CE2 3.19Å; L254-Y256 HydrophobicContact CD2-CG 4.46Å; Y256-I290 HydrophobicContact CD1-CB 3.96Å; Y256-I290 HydrophobicContact CD1-CG1 4.49Å; Y256-I290 HydrophobicContact CD1-CG2 4.06Å; Y256-I290 HydrophobicContact CE1-CB 4.22Å; Y256-I290 HydrophobicContact CE1-CG1 4.39Å; Y256-I290 HydrophobicContact CE1-CG2 4.09Å; Y256-Y311 AromaticContact CD1-CD1 3.87Å; Y256-Y311 HydrophobicContact CD1-CD1 3.87Å; Y256-Y311 AromaticContact CD1-CD2 3.95Å; Y256-Y311 HydrophobicContact CD1-CD2 3.95Å; Y256-Y311 HydrophobicContact CD1-CE1 4.14Å; Y256-Y311 HydrophobicContact CD1-CE2 4.18Å; Y256-Y311 AromaticContact CD1-CG 3.76Å; Y256-Y311 HydrophobicContact CD1-CG 3.76Å; Y256-Y311 HydrophobicContact CE1-CD2 4.41Å; Y256-Y311 HydrophobicContact CE1-CG 4.19Å; Y256-I343 HydrophobicContact CE1-CD1 4.12Å; Y256-I343 HydrophobicContact CE1-CG2 4.32Å; Y256-T388 HydrophobicContact CE1-CG2 3.93Å; Y256-T388 WeakPolarHBondContact OH-CG2 3.41Å
257	I	98.9	Very high	95.6	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	98.7	-180	-48.9	-54.4	0	0	0	108.5	I213 L224 F255 S260 W268 F289 I290 F307	I213-I257 HydrophobicContact CB-CD1 3.97Å; I213-I257 HydrophobicContact CG1-CD1 3.78Å; L224-I257 HydrophobicContact CD1-CD1 4.25Å; L224-I257 HydrophobicContact CD2-CD1 3.85Å; L224-I257 HydrophobicContact CD2-CG1 4.37Å; F255-I257 HydrophobicContact CB-CD1 4.21Å; I257-S260 PolarHBondContact O-N 2.77Å; I257-W268 HydrophobicContact CG2-CH2 4.22Å; I257-W268 HydrophobicContact CG2-CZ2 4.19Å; I257-F289 HydrophobicContact CD1-CD1 4.34Å; I257-F289 HydrophobicContact CG1-CD1 4.47Å; I257-I290 PolarHBondContact N-O 3.35Å; I257-F307 HydrophobicContact CB-CE1 4.35Å; I257-F307 HydrophobicContact CG1-CE1 4.07Å
258	Y	98.8	Very high	96.5	Very high	32 Å²	32	42.8 Å²	42.8	13%	0.125	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	138.2	-179.5	-169.2	-120	0	0	0	110.4	I213 Q214 P215 R219 S260 L292 Y311 Y313	I213-Y258 PolarHBondContact O-N 3.47Å; I213-Y258 VanDerWaalsContact O-N 3.1Å; Q214-Y258 VanDerWaalsContact OE1-CD1 3.25Å; P215-Y258 HydrophobicContact CG-CD1 4.25Å; R219-Y258 PolarHBondContact NH1-O 3Å; R219-Y258 PolarHBondContact NH2-O 3.22Å; Y258-S260 PolarHBondContact O-N 3.02Å; Y258-L292 HydrophobicContact CD2-CD2 3.68Å; Y258-L292 HydrophobicContact CE2-CD2 3.62Å; Y258-Y311 WeakPolarHBondContact CA-OH 3.36Å; Y258-Y311 WeakPolarHBondContact CD2-OH 3.3Å; Y258-Y313 HydrophobicContact CD2-CD1 4.34Å; Y258-Y313 HydrophobicContact CD2-CD2 4.25Å; Y258-Y313 HydrophobicContact CD2-CG 4.13Å; Y258-Y313 AromaticContact CE2-CD1 3.37Å; Y258-Y313 HydrophobicContact CE2-CD1 3.37Å; Y258-Y313 HydrophobicContact CE2-CD2 4.02Å; Y258-Y313 AromaticContact CE2-CE1 3.63Å; Y258-Y313 HydrophobicContact CE2-CE1 3.63Å; Y258-Y313 HydrophobicContact CE2-CE2 4.24Å; Y258-Y313 AromaticContact CE2-CG 3.58Å; Y258-Y313 HydrophobicContact CE2-CG 3.58Å; Y258-Y313 AromaticContact CZ-CD1 3.95Å; Y258-Y313 AromaticContact CZ-CE1 3.79Å; Y258-Y313 WeakPolarHBondContact OH-CE1 3.42Å
259	D	98.4	Very high	97.2	Very high	24 Å²	24	38.3 Å²	38.3	13%	0.128	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	40.3	-174.1	-70.7	-17.1	0	0	0	114.3	R219 Y261 L262 L292	R219-D259 PolarHBondContact NH2-O 3.05Å; D259-Y261 HydrophobicContact CB-CE1 3.98Å; D259-Y261 PolarHBondContact O-N 3.18Å; D259-Y261 WeakPolarHBondContact OD1-CE1 3.43Å; D259-Y261 VanDerWaalsContact OD1-CZ 3.22Å; D259-Y261 PolarHBondContact OD1-OH 2.82Å; D259-L262 HydrophobicContact CB-CD1 3.76Å; D259-L262 HydrophobicContact CB-CG 4.05Å; D259-L262 WeakPolarHBondContact O-CB 3.4Å; D259-L262 WeakPolarHBondContact O-CG 3.18Å; D259-L262 PolarHBondContact O-N 3Å; D259-L292 WeakPolarHBondContact OD1-CD2 3.19Å
260	S	98.6	Very high	97.8	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.021	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-55.7	-24.9	179.5	56	0	0	0	0	113.8	I257 Y258 L262 T263 W268 A291 L292	I257-S260 PolarHBondContact O-N 2.77Å; Y258-S260 PolarHBondContact O-N 3.02Å; S260-L262 PolarHBondContact O-N 3.18Å; S260-T263 PolarHBondContact O-N 2.78Å; S260-W268 PolarHBondContact O-NE1 3.11Å; S260-A291 WeakPolarHBondContact OG-CB 3.43Å; S260-L292 PolarHBondContact OG-N 3.27Å
261	Y	98.1	Very high	98.2	Very high	93 Å²	93	34.6 Å²	34.6	37%	0.365	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-68.8	-9	177.6	59.8	-94.3	0	0	0	114.2	D259 L292 V294 H298	D259-Y261 HydrophobicContact CB-CE1 3.98Å; D259-Y261 PolarHBondContact O-N 3.18Å; D259-Y261 WeakPolarHBondContact OD1-CE1 3.43Å; D259-Y261 VanDerWaalsContact OD1-CZ 3.22Å; D259-Y261 PolarHBondContact OD1-OH 2.82Å; Y261-L292 HydrophobicContact CE1-CD2 4.07Å; Y261-V294 HydrophobicContact CD1-CG2 3.82Å; Y261-V294 HydrophobicContact CE1-CB 4.36Å; Y261-V294 HydrophobicContact CE1-CG2 3.38Å; Y261-H298 AromaticContact CD1-CE1 3.94Å; Y261-H298 AromaticContact CG-CE1 3.68Å
262	L	97.8	Very high	98.4	Very high	110 Å²	110	31.9 Å²	31.9	58%	0.576	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	-72.8	-18.7	172.7	-65	177.8	0	0	0	113	P215 D259 S260	P215-L262 HydrophobicContact CB-CD1 4.33Å; D259-L262 HydrophobicContact CB-CD1 3.76Å; D259-L262 HydrophobicContact CB-CG 4.05Å; D259-L262 WeakPolarHBondContact O-CB 3.4Å; D259-L262 WeakPolarHBondContact O-CG 3.18Å; D259-L262 PolarHBondContact O-N 3Å; S260-L262 PolarHBondContact O-N 3.18Å
263	T	97.6	Very high	98.4	Very high	11 Å²	11	32.3 Å²	32.3	7%	0.067	17%	0.169	C	C	.	.	S	Bend	trans	-107.8	132.3	174.4	-58.8	0	0	0	0	108.3	S260 W268	S260-T263 PolarHBondContact O-N 2.78Å; T263-W268 VanDerWaalsContact CB-CE2 3.47Å; T263-W268 VanDerWaalsContact CB-CZ2 3.41Å; T263-W268 HydrophobicContact CG2-CD2 4Å; T263-W268 HydrophobicContact CG2-CE3 4.46Å; T263-W268 HydrophobicContact CG2-CG 4.43Å; T263-W268 HydrophobicContact CG2-CH2 4.21Å; T263-W268 HydrophobicContact CG2-CZ2 3.78Å; T263-W268 PolarHBondContact O-NE1 3.02Å; T263-W268 VanDerWaalsContact O-NE1 3.09Å
264	P	97.5	Very high	98.4	Very high	65 Å²	65	37.1 Å²	37.1	42%	0.422	20%	0.2	S	C	.	.			trans	-68.4	151.3	-174.8	28.7	-35.7	0	0	0	112	E266 S267 W268	P264-E266 WeakPolarHBondContact CB-OE2 3.42Å; P264-E266 PolarHBondContact O-N 2.86Å; P264-S267 PolarHBondContact O-N 3.23Å; P264-W268 PolarHBondContact O-N 2.77Å; P264-W268 VanDerWaalsContact O-N 3.16Å
265	P	98	Very high	98.3	Very high	27 Å²	27	43.4 Å²	43.4	18%	0.175	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-28.4	-178.1	25.9	-34.4	0	0	0	113.1	W268 S269 D301 A304 G305	P265-W268 PolarHBondContact O-N 3.04Å; P265-S269 WeakPolarHBondContact O-CB 3.44Å; P265-S269 PolarHBondContact O-N 2.84Å; P265-D301 HydrophobicContact CB-CB 4.34Å; P265-D301 WeakPolarHBondContact CB-O 3.44Å; P265-D301 HydrophobicContact CG-CB 4.28Å; P265-A304 HydrophobicContact CB-CB 4.29Å; P265-G305 WeakPolarHBondContact O-CA 3.39Å
266	E	98.3	Very high	98.3	Very high	127 Å²	127	44 Å²	44	59%	0.593	25%	0.245	S	C	*	.	H	α-helix	trans	-61.5	-48.1	175.9	-62.3	79.7	-175	0	0	110.9	P264 W268 S269 E270	P264-E266 WeakPolarHBondContact CB-OE2 3.42Å; P264-E266 PolarHBondContact O-N 2.86Å; E266-W268 PolarHBondContact O-N 3.12Å; E266-S269 PolarHBondContact O-N 2.89Å; E266-S269 VanDerWaalsContact O-N 3.16Å; E266-S269 PolarHBondContact O-OG 2.71Å; E266-E270 PolarHBondContact O-N 2.96Å
267	S	98.1	Very high	98.2	Very high	34 Å²	34	48.5 Å²	48.5	24%	0.238	28%	0.277	C	S	.	.	H	α-helix	trans	-62.1	-42.9	174.7	-67.3	0	0	0	0	111.5	D221 P264 S269 E270	D221-S267 VanDerWaalsContact CB-O 3.31Å; D221-S267 WeakPolarHBondContact CB-O 3.37Å; P264-S267 PolarHBondContact O-N 3.23Å; S267-S269 VanDerWaalsContact C-N 3.25Å; S267-S269 PolarHBondContact O-N 2.85Å; S267-E270 PolarHBondContact O-N 3.5Å
268	W	98.6	Very high	98.1	Very high	5 Å²	5	50.4 Å²	50.4	2%	0.019	29%	0.285	C	S	.	.	H	α-helix	trans	-59.6	-39	175.2	-71.3	129	0	0	0	112.5	L224 I257 S260 T263 P264 P265 E266 E270 F271 L272 G305 F307	L224-W268 HydrophobicContact CB-CZ3 4.32Å; L224-W268 HydrophobicContact CD2-CE3 4.48Å; L224-W268 HydrophobicContact CD2-CH2 3.59Å; L224-W268 HydrophobicContact CD2-CZ3 3.36Å; L224-W268 HydrophobicContact CG-CZ3 4.45Å; I257-W268 HydrophobicContact CG2-CH2 4.22Å; I257-W268 HydrophobicContact CG2-CZ2 4.19Å; S260-W268 PolarHBondContact O-NE1 3.11Å; T263-W268 VanDerWaalsContact CB-CE2 3.47Å; T263-W268 VanDerWaalsContact CB-CZ2 3.41Å; T263-W268 HydrophobicContact CG2-CD2 4Å; T263-W268 HydrophobicContact CG2-CE3 4.46Å; T263-W268 HydrophobicContact CG2-CG 4.43Å; T263-W268 HydrophobicContact CG2-CH2 4.21Å; T263-W268 HydrophobicContact CG2-CZ2 3.78Å; T263-W268 PolarHBondContact O-NE1 3.02Å; T263-W268 VanDerWaalsContact O-NE1 3.09Å; P264-W268 PolarHBondContact O-N 2.77Å; P264-W268 VanDerWaalsContact O-N 3.16Å; P265-W268 PolarHBondContact O-N 3.04Å; E266-W268 PolarHBondContact O-N 3.12Å; W268-E270 VanDerWaalsContact C-N 3.31Å; W268-E270 PolarHBondContact O-N 2.94Å; W268-F271 HydrophobicContact CE3-CD1 4.14Å; W268-F271 HydrophobicContact CZ3-CD1 4.23Å; W268-F271 PolarHBondContact O-N 2.82Å; W268-F271 VanDerWaalsContact O-N 3.1Å; W268-L272 HydrophobicContact CB-CD1 4.36Å; W268-L272 HydrophobicContact CE3-CD1 4.36Å; W268-L272 WeakPolarHBondContact O-CB 3.35Å; W268-L272 PolarHBondContact O-N 3.35Å; W268-G305 CarbonylContact C-O 3.49Å; W268-G305 VanDerWaalsContact C-O 3.24Å; W268-G305 WeakPolarHBondContact CB-O 3.49Å; W268-F307 HydrophobicContact CB-CE2 4.1Å; W268-F307 AromaticContact CD1-CE2 3.56Å; W268-F307 AromaticContact CD1-CZ 3.9Å; W268-F307 HydrophobicContact CD2-CE2 4.02Å; W268-F307 AromaticContact CD2-CZ 3.69Å; W268-F307 HydrophobicContact CD2-CZ 3.69Å; W268-F307 AromaticContact CE2-CZ 3.68Å; W268-F307 HydrophobicContact CE3-CZ 4.31Å; W268-F307 AromaticContact CG-CE2 3.62Å; W268-F307 HydrophobicContact CG-CE2 3.62Å; W268-F307 AromaticContact CG-CZ 3.82Å; W268-F307 HydrophobicContact CG-CZ 3.82Å; W268-F307 HydrophobicContact CZ2-CZ 4.29Å; W268-F307 AromaticContact NE1-CE2 3.85Å; W268-F307 AromaticContact NE1-CZ 3.77Å
269	S	98.6	Very high	98.1	Very high	27 Å²	27	50.1 Å²	50.1	19%	0.189	29%	0.288	C	S	.	.	H	α-helix	trans	-68.5	-29.6	-177.6	72.6	0	0	0	0	113.3	P265 E266 S267 F271 T273 G305	P265-S269 WeakPolarHBondContact O-CB 3.44Å; P265-S269 PolarHBondContact O-N 2.84Å; E266-S269 PolarHBondContact O-N 2.89Å; E266-S269 VanDerWaalsContact O-N 3.16Å; E266-S269 PolarHBondContact O-OG 2.71Å; S267-S269 VanDerWaalsContact C-N 3.25Å; S267-S269 PolarHBondContact O-N 2.85Å; S269-F271 PolarHBondContact O-N 2.85Å; S269-T273 WeakPolarHBondContact O-CB 3.37Å; S269-T273 PolarHBondContact O-N 3.12Å; S269-T273 VanDerWaalsContact O-N 3.13Å; S269-T273 PolarHBondContact O-OG1 2.84Å; S269-G305 PolarHBondContact N-O 2.61Å
270	E	98.6	Very high	98.1	Very high	74 Å²	74	49 Å²	49	35%	0.346	28%	0.282	S	S	.	.	H	α-helix	trans	-63.5	-27.4	172.4	-66.9	-61.8	147.8	0	0	113.2	E266 S267 W268 G276 S277 H278 S279	E266-E270 PolarHBondContact O-N 2.96Å; S267-E270 PolarHBondContact O-N 3.5Å; W268-E270 VanDerWaalsContact C-N 3.31Å; W268-E270 PolarHBondContact O-N 2.94Å; E270-G276 CarbonylContact O-C 3.5Å; E270-G276 VanDerWaalsContact O-C 3.25Å; E270-G276 WeakPolarHBondContact O-CA 3.24Å; E270-S277 PolarHBondContact O-N 2.99Å; E270-S277 WeakPolarHBondContact OE2-CB 3.44Å; E270-S277 PolarHBondContact OE2-N 3.05Å; E270-S277 PolarHBondContact OE2-OG 3.34Å; E270-H278 CarbonylContact O-C 3.57Å; E270-H278 PolarHBondContact O-N 2.81Å; E270-S279 PolarHBondContact O-N 2.78Å
271	F	98.4	Very high	98.1	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-98.2	-39.7	179.9	169.8	-128.9	0	0	0	113.5	D221 L224 H225 I228 W268 S269 S279 V280 F289	D221-F271 HydrophobicContact CB-CB 4.02Å; L224-F271 HydrophobicContact CD2-CD1 4.42Å; L224-F271 HydrophobicContact CD2-CE1 3.78Å; L224-F271 HydrophobicContact CG-CE1 4.18Å; H225-F271 HydrophobicContact CB-CD2 3.77Å; H225-F271 HydrophobicContact CB-CE2 3.58Å; H225-F271 HydrophobicContact CB-CZ 4.4Å; H225-F271 AromaticContact CD2-CD2 3.85Å; H225-F271 AromaticContact CD2-CE2 3.68Å; H225-F271 AromaticContact CG-CE2 3.99Å; I228-F271 HydrophobicContact CG1-CZ 4.13Å; W268-F271 HydrophobicContact CE3-CD1 4.14Å; W268-F271 HydrophobicContact CZ3-CD1 4.23Å; W268-F271 PolarHBondContact O-N 2.82Å; W268-F271 VanDerWaalsContact O-N 3.1Å; S269-F271 PolarHBondContact O-N 2.85Å; F271-S279 WeakPolarHBondContact O-CA 2.84Å; F271-V280 HydrophobicContact CD2-CB 4.03Å; F271-V280 HydrophobicContact CD2-CG1 4.36Å; F271-V280 HydrophobicContact CE2-CB 3.52Å; F271-V280 HydrophobicContact CE2-CG1 3.91Å; F271-V280 HydrophobicContact CE2-CG2 4.03Å; F271-V280 HydrophobicContact CZ-CB 4.21Å; F271-V280 HydrophobicContact CZ-CG1 4.2Å; F271-V280 PolarHBondContact O-N 2.88Å; F271-F289 HydrophobicContact CE1-CD1 4.27Å; F271-F289 AromaticContact CE1-CE1 3.72Å; F271-F289 HydrophobicContact CE1-CE1 3.72Å; F271-F289 AromaticContact CE1-CZ 3.91Å; F271-F289 HydrophobicContact CE1-CZ 3.91Å; F271-F289 AromaticContact CZ-CE1 3.73Å; F271-F289 HydrophobicContact CZ-CE1 3.73Å; F271-F289 HydrophobicContact CZ-CE2 4.42Å; F271-F289 AromaticContact CZ-CZ 3.56Å; F271-F289 HydrophobicContact CZ-CZ 3.56Å
272	L	98.7	Very high	98	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.016	31%	0.309	C	S	.	.	H	α-helix	trans	-105.7	-4.1	-167.5	-60.1	-179.7	0	0	0	114.4	W268 V280 R281 F289 G305 G306 F307	W268-L272 HydrophobicContact CB-CD1 4.36Å; W268-L272 HydrophobicContact CE3-CD1 4.36Å; W268-L272 WeakPolarHBondContact O-CB 3.35Å; W268-L272 PolarHBondContact O-N 3.35Å; L272-V280 HydrophobicContact CD2-CG1 4.32Å; L272-R281 WeakPolarHBondContact O-CG 3.42Å; L272-R281 PolarHBondContact O-NE 2.74Å; L272-F289 HydrophobicContact CD1-CB 4.26Å; L272-F289 HydrophobicContact CD1-CG 4.48Å; L272-F289 HydrophobicContact CD2-CB 4.15Å; L272-F289 HydrophobicContact CD2-CD1 3.97Å; L272-F289 HydrophobicContact CD2-CD2 3.35Å; L272-F289 HydrophobicContact CD2-CE1 4.19Å; L272-F289 HydrophobicContact CD2-CE2 3.6Å; L272-F289 HydrophobicContact CD2-CG 3.54Å; L272-F289 HydrophobicContact CD2-CZ 4.01Å; L272-G305 WeakPolarHBondContact CB-O 3.06Å; L272-G306 WeakPolarHBondContact CB-O 3.42Å; L272-F307 HydrophobicContact CD1-CD1 3.73Å; L272-F307 HydrophobicContact CD1-CD2 4.11Å; L272-F307 HydrophobicContact CD1-CE1 3.75Å; L272-F307 HydrophobicContact CD1-CE2 4.13Å; L272-F307 HydrophobicContact CD1-CG 3.92Å; L272-F307 HydrophobicContact CD1-CZ 3.95Å
273	T	98.4	Very high	98	Very high	28 Å²	28	46.6 Å²	46.6	17%	0.172	29%	0.293	C	S	.	.	S	Bend	trans	-104.4	149	174.3	72.9	0	0	0	0	111.6	S269 T275 G276 S279	S269-T273 WeakPolarHBondContact O-CB 3.37Å; S269-T273 PolarHBondContact O-N 3.12Å; S269-T273 VanDerWaalsContact O-N 3.13Å; S269-T273 PolarHBondContact O-OG1 2.84Å; T273-T275 PolarHBondContact O-N 2.98Å; T273-T275 PolarHBondContact OG1-OG1 3.06Å; T273-G276 PolarHBondContact O-N 3.19Å; T273-G276 PolarHBondContact OG1-N 2.85Å; T273-S279 WeakPolarHBondContact O-CB 3.43Å; T273-S279 PolarHBondContact O-OG 2.76Å
274	P	97.9	Very high	98	Very high	114 Å²	114	51.7 Å²	51.7	74%	0.74	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.3	178.9	-25.5	35	0	0	0	115.1	R281	P274-R281 HydrophobicContact CG-CB 4.34Å; P274-R281 HydrophobicContact CG-CG 4.48Å
275	T	97.4	Very high	98	Very high	133 Å²	133	50.5 Å²	50.5	82%	0.816	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-3	-179.4	50.4	0	0	0	0	113.6	T273	T273-T275 PolarHBondContact O-N 2.98Å; T273-T275 PolarHBondContact OG1-OG1 3.06Å
276	G	98.1	Very high	98	Very high	13 Å²	13	50 Å²	50	13%	0.134	31%	0.309	C	S	.	.	S	Bend	trans	-66.3	147.6	179.8	0	0	0	0	0	112.7	E270 T273 H278 S279	E270-G276 CarbonylContact O-C 3.5Å; E270-G276 VanDerWaalsContact O-C 3.25Å; E270-G276 WeakPolarHBondContact O-CA 3.24Å; T273-G276 PolarHBondContact O-N 3.19Å; T273-G276 PolarHBondContact OG1-N 2.85Å; G276-H278 PolarHBondContact O-N 3.32Å; G276-S279 PolarHBondContact O-N 2.96Å
277	S	97.6	Very high	98	Very high	96 Å²	96	43.9 Å²	43.9	67%	0.671	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-27	-174.7	54.8	0	0	0	0	114.8	E270	E270-S277 PolarHBondContact O-N 2.99Å; E270-S277 WeakPolarHBondContact OE2-CB 3.44Å; E270-S277 PolarHBondContact OE2-N 3.05Å; E270-S277 PolarHBondContact OE2-OG 3.34Å
278	H	97.5	Very high	98.1	Very high	39 Å²	39	43.5 Å²	43.5	18%	0.181	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.3	41.8	179.1	58.4	-80.1	0	0	0	110.6	D221 H225 E270 G276 V280	D221-H278 IonicContact OD2-CE1 3.24Å; D221-H278 PolarHBondContact OD2-CE1 2.82Å; D221-H278 VanDerWaalsContact OD2-CE1 3.24Å; D221-H278 IonicContact OD2-NE2 3.83Å; H225-H278 PolarHBondContact CD2-O 3.44Å; E270-H278 CarbonylContact O-C 3.57Å; E270-H278 PolarHBondContact O-N 2.81Å; G276-H278 PolarHBondContact O-N 3.32Å; H278-V280 PolarHBondContact O-N 2.94Å
279	S	98.4	Very high	98.1	Very high	27 Å²	27	43.2 Å²	43.2	19%	0.189	28%	0.275	C	S	.	.			trans	-57.4	136	-175.7	-171	0	0	0	0	113.4	E270 F271 T273 G276 R281	E270-S279 PolarHBondContact O-N 2.78Å; F271-S279 WeakPolarHBondContact O-CA 2.84Å; T273-S279 WeakPolarHBondContact O-CB 3.43Å; T273-S279 PolarHBondContact O-OG 2.76Å; G276-S279 PolarHBondContact O-N 2.96Å; S279-R281 VanDerWaalsContact C-N 3.32Å; S279-R281 WeakPolarHBondContact OG-CB 3.48Å; S279-R281 PolarHBondContact OG-N 3.01Å; S279-R281 VanDerWaalsContact OG-N 3.11Å
280	V	98.3	Very high	98.1	Very high	0 Å²	0	42 Å²	42	0%	0	27%	0.266	C	S	.	.			trans	-79.9	-16.9	169.5	78.7	0	0	0	0	112.5	F271 L272 H278 G282 S283 Y285 D286 F289	F271-V280 HydrophobicContact CD2-CB 4.03Å; F271-V280 HydrophobicContact CD2-CG1 4.36Å; F271-V280 HydrophobicContact CE2-CB 3.52Å; F271-V280 HydrophobicContact CE2-CG1 3.91Å; F271-V280 HydrophobicContact CE2-CG2 4.03Å; F271-V280 HydrophobicContact CZ-CB 4.21Å; F271-V280 HydrophobicContact CZ-CG1 4.2Å; F271-V280 PolarHBondContact O-N 2.88Å; L272-V280 HydrophobicContact CD2-CG1 4.32Å; H278-V280 PolarHBondContact O-N 2.94Å; V280-G282 PolarHBondContact O-N 2.82Å; V280-S283 VanDerWaalsContact O-CB 3.29Å; V280-S283 WeakPolarHBondContact O-CB 3.34Å; V280-S283 PolarHBondContact O-N 2.85Å; V280-S283 VanDerWaalsContact O-N 3.15Å; V280-S283 PolarHBondContact O-OG 2.67Å; V280-Y285 VanDerWaalsContact CG2-C 3.43Å; V280-Y285 WeakPolarHBondContact CG2-O 3.48Å; V280-D286 WeakPolarHBondContact O-CA 3.48Å; V280-F289 HydrophobicContact CG1-CE2 3.64Å; V280-F289 HydrophobicContact CG1-CZ 4.01Å
281	R	98	Very high	98.1	Very high	45 Å²	45	38.4 Å²	38.4	17%	0.17	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	130.7	-171.4	-57.7	-54.9	-170.8	178.6	0.5	111.2	L272 P274 S279 S283 D286 S287 G306 D308	L272-R281 WeakPolarHBondContact O-CG 3.42Å; L272-R281 PolarHBondContact O-NE 2.74Å; P274-R281 HydrophobicContact CG-CB 4.34Å; P274-R281 HydrophobicContact CG-CG 4.48Å; S279-R281 VanDerWaalsContact C-N 3.32Å; S279-R281 WeakPolarHBondContact OG-CB 3.48Å; S279-R281 PolarHBondContact OG-N 3.01Å; S279-R281 VanDerWaalsContact OG-N 3.11Å; R281-S283 PolarHBondContact O-N 2.61Å; R281-D286 VanDerWaalsContact CD-OD1 3.3Å; R281-D286 WeakPolarHBondContact CD-OD1 3.37Å; R281-D286 IonicContact NH1-OD1 3.76Å; R281-D286 PolarHBondContact NH1-OD1 2.95Å; R281-S287 PolarHBondContact NH1-O 2.69Å; R281-G306 PolarHBondContact NH2-O 2.88Å; R281-D308 IonicContact CZ-OD1 3.04Å; R281-D308 IonicContact CZ-OD2 3.32Å; R281-D308 IonicContact NH1-OD1 2.69Å; R281-D308 PolarHBondContact NH1-OD1 3.2Å; R281-D308 IonicContact NH1-OD2 3.51Å; R281-D308 PolarHBondContact NH1-OD2 2.89Å; R281-D308 IonicContact NH2-OD1 3.34Å; R281-D308 PolarHBondContact NH2-OD1 3.28Å; R281-D308 VanDerWaalsContact NH2-OD1 3.14Å; R281-D308 IonicContact NH2-OD2 3.31Å; R281-D308 PolarHBondContact NH2-OD2 2.76Å
282	G	96	Very high	98.1	Very high	75 Å²	75	38.4 Å²	38.4	77%	0.773	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.6	1.9	-176.4	0	0	0	0	0	115	V280 D286	V280-G282 PolarHBondContact O-N 2.82Å; G282-D286 PolarHBondContact N-OD2 3.46Å
283	S	97.6	Very high	98.1	Very high	36 Å²	36	38.3 Å²	38.3	25%	0.252	25%	0.249	S	C	.	.	S	Bend	trans	-85.4	170.1	170.7	83.3	0	0	0	0	111.3	V280 R281 Y285 D286	V280-S283 VanDerWaalsContact O-CB 3.29Å; V280-S283 WeakPolarHBondContact O-CB 3.34Å; V280-S283 PolarHBondContact O-N 2.85Å; V280-S283 VanDerWaalsContact O-N 3.15Å; V280-S283 PolarHBondContact O-OG 2.67Å; R281-S283 PolarHBondContact O-N 2.61Å; S283-Y285 PolarHBondContact O-N 3.03Å; S283-Y285 VanDerWaalsContact O-N 3.09Å; S283-Y285 PolarHBondContact OG-N 2.88Å; S283-D286 WeakPolarHBondContact O-CB 3.4Å; S283-D286 PolarHBondContact O-N 3.34Å; S283-D286 VanDerWaalsContact O-N 3.14Å
284	P	97.8	Very high	98.2	Very high	117 Å²	117	38.1 Å²	38.1	76%	0.76	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-15.2	169.2	-24.5	35.7	0	0	0	114.6
285	Y	98.4	Very high	98.2	Very high	41 Å²	41	36.7 Å²	36.7	16%	0.161	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	1.6	-178.6	-54.6	-58.8	0	0	0	113.2	K229 I232 D233 V280 S283 S287	K229-Y285 HydrophobicContact CB-CD1 4.17Å; K229-Y285 HydrophobicContact CB-CD2 4.36Å; K229-Y285 HydrophobicContact CB-CE1 4.11Å; K229-Y285 HydrophobicContact CB-CE2 4.3Å; K229-Y285 HydrophobicContact CB-CG 4.31Å; K229-Y285 HydrophobicContact CD-CE2 3.78Å; K229-Y285 HydrophobicContact CG-CD1 4.38Å; K229-Y285 HydrophobicContact CG-CE1 3.82Å; K229-Y285 HydrophobicContact CG-CE2 3.96Å; K229-Y285 PolarHBondContact NZ-OH 3.42Å; I232-Y285 HydrophobicContact CB-CD1 4.03Å; I232-Y285 HydrophobicContact CB-CE1 4.42Å; I232-Y285 HydrophobicContact CD1-CD1 4.08Å; I232-Y285 HydrophobicContact CG2-CD1 4Å; I232-Y285 HydrophobicContact CG2-CE1 4.25Å; D233-Y285 WeakPolarHBondContact OD1-CE1 3.11Å; D233-Y285 PolarHBondContact OD1-OH 3.46Å; D233-Y285 PolarHBondContact OD2-OH 3.37Å; V280-Y285 VanDerWaalsContact CG2-C 3.43Å; V280-Y285 WeakPolarHBondContact CG2-O 3.48Å; S283-Y285 PolarHBondContact O-N 3.03Å; S283-Y285 VanDerWaalsContact O-N 3.09Å; S283-Y285 PolarHBondContact OG-N 2.88Å; Y285-S287 PolarHBondContact O-N 2.88Å; Y285-S287 PolarHBondContact O-OG 2.83Å
286	D	98.4	Very high	98.2	Very high	15 Å²	15	35.4 Å²	35.4	8%	0.08	22%	0.216	C	C	.	.			trans	-54.9	133.2	178.6	-168.7	16.9	0	0	0	110.3	K250 L252 V280 R281 G282 S283	K250-D286 IonicContact NZ-OD2 3.2Å; K250-D286 PolarHBondContact NZ-OD2 2.89Å; L252-D286 HydrophobicContact CD2-CB 4.47Å; L252-D286 WeakPolarHBondContact CD2-O 3.39Å; V280-D286 WeakPolarHBondContact O-CA 3.48Å; R281-D286 VanDerWaalsContact CD-OD1 3.3Å; R281-D286 WeakPolarHBondContact CD-OD1 3.37Å; R281-D286 IonicContact NH1-OD1 3.76Å; R281-D286 PolarHBondContact NH1-OD1 2.95Å; G282-D286 PolarHBondContact N-OD2 3.46Å; S283-D286 WeakPolarHBondContact O-CB 3.4Å; S283-D286 PolarHBondContact O-N 3.34Å; S283-D286 VanDerWaalsContact O-N 3.14Å
287	S	98.4	Very high	98.2	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.236	C	C	.	.			trans	-152.1	164.4	-167.3	-61.1	0	0	0	0	110.5	P253 F255 R281 Y285 F289	P253-S287 CarbonylContact O-C 3.51Å; P253-S287 WeakPolarHBondContact O-CA 3.49Å; F255-S287 WeakPolarHBondContact CE2-OG 3.32Å; R281-S287 PolarHBondContact NH1-O 2.69Å; Y285-S287 PolarHBondContact O-N 2.88Å; Y285-S287 PolarHBondContact O-OG 2.83Å; S287-F289 VanDerWaalsContact O-CD2 3.25Å; S287-F289 WeakPolarHBondContact O-CD2 3.32Å; S287-F289 WeakPolarHBondContact O-CE2 3.35Å
288	M	98.4	Very high	98.2	Very high	25 Å²	25	37.8 Å²	37.8	12%	0.123	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	123.6	169.3	-58.5	-62.6	-68.9	0	0	109.5	F244 L252 P253 L254 F255 D308 L341	F244-M288 HydrophobicContact CB-CG 4.36Å; F244-M288 HydrophobicContact CD1-CE 4.16Å; F244-M288 HydrophobicContact CD1-CG 4.05Å; F244-M288 HydrophobicContact CD1-SD 4.45Å; F244-M288 HydrophobicContact CE1-CE 4.26Å; L252-M288 HydrophobicContact CB-CG 3.97Å; L252-M288 HydrophobicContact CD1-CG 4.3Å; L252-M288 HydrophobicContact CD1-SD 3.88Å; P253-M288 PolarHBondContact O-N 3.2Å; L254-M288 WeakPolarHBondContact CA-O 3.33Å; L254-M288 HydrophobicContact CB-CB 4.09Å; L254-M288 HydrophobicContact CD1-CB 4.15Å; L254-M288 HydrophobicContact CG-CB 3.94Å; F255-M288 PolarHBondContact N-O 2.74Å; M288-D308 WeakPolarHBondContact CA-OD2 3.29Å; M288-D308 HydrophobicContact CE-CB 3.54Å; M288-D308 HydrophobicContact SD-CB 4.2Å; M288-L341 HydrophobicContact CE-CD1 3.61Å; M288-L341 HydrophobicContact CE-CG 4.46Å
289	F	98.9	Very high	98.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	119.6	178.6	-63.6	-89.7	0	0	0	110.7	I228 F255 I257 F271 L272 V280 S287 F307 D308 G309	I228-F289 HydrophobicContact CD1-CE1 3.81Å; I228-F289 HydrophobicContact CD1-CZ 4.43Å; I228-F289 HydrophobicContact CG1-CE1 3.8Å; I228-F289 HydrophobicContact CG1-CZ 4.14Å; I228-F289 HydrophobicContact CG2-CZ 4.38Å; F255-F289 HydrophobicContact CB-CD1 4.31Å; F255-F289 HydrophobicContact CD2-CE1 4.39Å; I257-F289 HydrophobicContact CD1-CD1 4.34Å; I257-F289 HydrophobicContact CG1-CD1 4.47Å; F271-F289 HydrophobicContact CE1-CD1 4.27Å; F271-F289 AromaticContact CE1-CE1 3.72Å; F271-F289 HydrophobicContact CE1-CE1 3.72Å; F271-F289 AromaticContact CE1-CZ 3.91Å; F271-F289 HydrophobicContact CE1-CZ 3.91Å; F271-F289 AromaticContact CZ-CE1 3.73Å; F271-F289 HydrophobicContact CZ-CE1 3.73Å; F271-F289 HydrophobicContact CZ-CE2 4.42Å; F271-F289 AromaticContact CZ-CZ 3.56Å; F271-F289 HydrophobicContact CZ-CZ 3.56Å; L272-F289 HydrophobicContact CD1-CB 4.26Å; L272-F289 HydrophobicContact CD1-CG 4.48Å; L272-F289 HydrophobicContact CD2-CB 4.15Å; L272-F289 HydrophobicContact CD2-CD1 3.97Å; L272-F289 HydrophobicContact CD2-CD2 3.35Å; L272-F289 HydrophobicContact CD2-CE1 4.19Å; L272-F289 HydrophobicContact CD2-CE2 3.6Å; L272-F289 HydrophobicContact CD2-CG 3.54Å; L272-F289 HydrophobicContact CD2-CZ 4.01Å; V280-F289 HydrophobicContact CG1-CE2 3.64Å; V280-F289 HydrophobicContact CG1-CZ 4.01Å; S287-F289 VanDerWaalsContact O-CD2 3.25Å; S287-F289 WeakPolarHBondContact O-CD2 3.32Å; S287-F289 WeakPolarHBondContact O-CE2 3.35Å; F289-F307 HydrophobicContact CB-CD1 3.8Å; F289-F307 HydrophobicContact CB-CE1 4.26Å; F289-D308 PolarHBondContact N-OD2 3.29Å; F289-D308 PolarHBondContact O-N 3.33Å; F289-G309 PolarHBondContact O-N 2.64Å
290	I	98.9	Very high	98.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	113.6	-176	-45.9	-58.3	0	0	0	109.6	L254 F255 Y256 I257 Y311 L341 I343	L254-I290 HydrophobicContact CD1-CD1 4.37Å; L254-I290 HydrophobicContact CD1-CG1 4.23Å; L254-I290 HydrophobicContact CD2-CG1 3.94Å; L254-I290 HydrophobicContact CG-CG1 4.03Å; F255-I290 PolarHBondContact O-N 3.13Å; Y256-I290 HydrophobicContact CD1-CB 3.96Å; Y256-I290 HydrophobicContact CD1-CG1 4.49Å; Y256-I290 HydrophobicContact CD1-CG2 4.06Å; Y256-I290 HydrophobicContact CE1-CB 4.22Å; Y256-I290 HydrophobicContact CE1-CG1 4.39Å; Y256-I290 HydrophobicContact CE1-CG2 4.09Å; I257-I290 PolarHBondContact N-O 3.35Å; I290-Y311 HydrophobicContact CG2-CD1 3.94Å; I290-Y311 HydrophobicContact CG2-CG 4.29Å; I290-L341 HydrophobicContact CD1-CD1 4.19Å; I290-I343 HydrophobicContact CD1-CD1 4.07Å; I290-I343 HydrophobicContact CG1-CD1 4.01Å; I290-I343 HydrophobicContact CG2-CD1 4.03Å; I290-I343 HydrophobicContact CG2-CG1 4.48Å
291	A	98.9	Very high	98.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	150.3	-177.7	0	0	0	0	0	113.2	S260 I293 I302 F307 G309 M310 Y311	S260-A291 WeakPolarHBondContact OG-CB 3.43Å; A291-I293 PolarHBondContact O-N 3.01Å; A291-I302 HydrophobicContact CB-CB 4.34Å; A291-I302 HydrophobicContact CB-CD1 3.78Å; A291-I302 HydrophobicContact CB-CG1 3.64Å; A291-I302 HydrophobicContact CB-CG2 3.79Å; A291-F307 HydrophobicContact CB-CB 4.26Å; A291-F307 HydrophobicContact CB-CD1 3.64Å; A291-F307 HydrophobicContact CB-CD2 3.86Å; A291-F307 HydrophobicContact CB-CE1 3.83Å; A291-F307 HydrophobicContact CB-CE2 4.04Å; A291-F307 HydrophobicContact CB-CG 3.65Å; A291-F307 HydrophobicContact CB-CZ 4.03Å; A291-G309 PolarHBondContact N-O 3.34Å; A291-M310 CarbonylContact O-C 3.38Å; A291-M310 WeakPolarHBondContact O-CA 3.31Å; A291-Y311 VanDerWaalsContact O-CD1 3.27Å; A291-Y311 WeakPolarHBondContact O-CD1 3.35Å; A291-Y311 PolarHBondContact O-N 3.29Å
292	L	98.9	Very high	98.3	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	119.4	172.7	-179.3	62.4	0	0	0	110.9	Y258 D259 S260 Y261 V294 Y311 F314	Y258-L292 HydrophobicContact CD2-CD2 3.68Å; Y258-L292 HydrophobicContact CE2-CD2 3.62Å; D259-L292 WeakPolarHBondContact OD1-CD2 3.19Å; S260-L292 PolarHBondContact OG-N 3.27Å; Y261-L292 HydrophobicContact CE1-CD2 4.07Å; L292-V294 HydrophobicContact CD2-CG2 3.94Å; L292-V294 HydrophobicContact CG-CG2 3.82Å; L292-Y311 HydrophobicContact CB-CD1 4.38Å; L292-Y311 HydrophobicContact CB-CE1 3.76Å; L292-Y311 HydrophobicContact CD1-CD1 4.49Å; L292-Y311 HydrophobicContact CD1-CE1 4.19Å; L292-Y311 HydrophobicContact CD1-CE2 4.3Å; L292-F314 HydrophobicContact CD1-CE2 4.49Å; L292-F314 HydrophobicContact CD2-CE2 4.36Å; L292-F314 HydrophobicContact CD2-CZ 4.3Å
293	I	98.8	Very high	98.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-91.8	122.5	169.9	-179.1	167.3	0	0	0	110.6	A291 H298 K299 I302 M310 Y311 T312 F321 I331	A291-I293 PolarHBondContact O-N 3.01Å; I293-H298 HydrophobicContact CG1-CB 4.44Å; I293-K299 HydrophobicContact CD1-CD 4.4Å; I293-K299 HydrophobicContact CD1-CG 3.51Å; I293-I302 HydrophobicContact CB-CD1 4.05Å; I293-M310 HydrophobicContact CB-CB 4.31Å; I293-M310 HydrophobicContact CB-SD 4.2Å; I293-M310 HydrophobicContact CD1-SD 3.71Å; I293-M310 HydrophobicContact CG2-CB 4.13Å; I293-M310 HydrophobicContact CG2-CG 4.12Å; I293-M310 HydrophobicContact CG2-SD 4.15Å; I293-Y311 WeakPolarHBondContact CG2-O 3.31Å; I293-Y311 PolarHBondContact N-O 3.48Å; I293-T312 HydrophobicContact CG2-CG2 4Å; I293-F321 HydrophobicContact CD1-CD1 4.16Å; I293-F321 HydrophobicContact CD1-CE1 4.04Å; I293-F321 HydrophobicContact CG1-CD1 4.44Å; I293-I331 HydrophobicContact CD1-CD1 4.17Å; I293-I331 HydrophobicContact CD1-CG1 4.26Å; I293-I331 HydrophobicContact CD1-CG2 4.36Å
294	V	98.7	Very high	98.5	Very high	24 Å²	24	42.8 Å²	42.8	15%	0.145	22%	0.218	C	C	.	.			trans	-118.2	-52.7	179.8	-176.3	0	0	0	0	110.4	Y261 L292 H298 F314 S320 F321 G322	Y261-V294 HydrophobicContact CD1-CG2 3.82Å; Y261-V294 HydrophobicContact CE1-CB 4.36Å; Y261-V294 HydrophobicContact CE1-CG2 3.38Å; L292-V294 HydrophobicContact CD2-CG2 3.94Å; L292-V294 HydrophobicContact CG-CG2 3.82Å; V294-H298 PolarHBondContact N-ND1 3.11Å; V294-F314 HydrophobicContact CG2-CE2 4.05Å; V294-S320 WeakPolarHBondContact O-CB 3.46Å; V294-F321 WeakPolarHBondContact O-CA 3.5Å; V294-F321 VanDerWaalsContact O-CB 3.24Å; V294-F321 WeakPolarHBondContact O-CB 3.27Å; V294-F321 PolarHBondContact O-N 3.1Å; V294-G322 PolarHBondContact O-N 2.88Å
295	E	98.6	Very high	98.5	Very high	85 Å²	85	37.2 Å²	37.2	40%	0.397	18%	0.182	S	C	.	.	S	Bend	trans	-105.8	159.3	176.9	-62.4	-176.9	-144.6	0	0	111.4	R297 H298	E295-R297 VanDerWaalsContact C-N 3.28Å; E295-R297 HydrophobicContact CB-CG 4.01Å; E295-R297 PolarHBondContact O-N 3.2Å; E295-R297 IonicContact OE1-CZ 2.75Å; E295-R297 IonicContact OE1-NE 3.23Å; E295-R297 IonicContact OE1-NH2 3.38Å; E295-R297 PolarHBondContact OE1-NH2 3.13Å; E295-R297 IonicContact OE2-CZ 3.52Å; E295-R297 IonicContact OE2-NE 3.82Å; E295-R297 PolarHBondContact OE2-NE 3.48Å; E295-R297 IonicContact OE2-NH2 3.14Å; E295-R297 PolarHBondContact OE2-NH2 2.79Å; E295-H298 PolarHBondContact N-ND1 3.03Å; E295-H298 WeakPolarHBondContact O-CB 3.21Å; E295-H298 PolarHBondContact O-N 3.07Å
296	E	98.3	Very high	98.5	Very high	106 Å²	106	36.1 Å²	36.1	50%	0.495	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-37.4	179.2	-173	171.1	-167.8	0	0	112.7	H298 K299 F321	E296-H298 PolarHBondContact O-N 3.48Å; E296-K299 VanDerWaalsContact CG-CE 3.45Å; E296-K299 WeakPolarHBondContact O-CB 3.35Å; E296-K299 VanDerWaalsContact O-CE 3.26Å; E296-K299 WeakPolarHBondContact O-CE 3.4Å; E296-K299 WeakPolarHBondContact O-CG 3.08Å; E296-K299 PolarHBondContact O-N 2.89Å; E296-K299 IonicContact OE1-NZ 2.61Å; E296-K299 PolarHBondContact OE1-NZ 3.46Å; E296-F321 HydrophobicContact CB-CD1 4.07Å; E296-F321 HydrophobicContact CB-CD2 3.81Å; E296-F321 HydrophobicContact CB-CE1 4.04Å; E296-F321 HydrophobicContact CB-CE2 3.79Å; E296-F321 HydrophobicContact CB-CG 3.96Å; E296-F321 HydrophobicContact CB-CZ 3.92Å; E296-F321 HydrophobicContact CG-CD2 4.38Å; E296-F321 HydrophobicContact CG-CE1 4.07Å; E296-F321 HydrophobicContact CG-CE2 3.83Å; E296-F321 HydrophobicContact CG-CZ 3.67Å
297	R	97	Very high	98.6	Very high	150 Å²	150	35.9 Å²	35.9	57%	0.566	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-31.8	179.4	59.2	171.4	170.1	149.7	3.6	112.8	E295 K299 H300	E295-R297 VanDerWaalsContact C-N 3.28Å; E295-R297 HydrophobicContact CB-CG 4.01Å; E295-R297 PolarHBondContact O-N 3.2Å; E295-R297 IonicContact OE1-CZ 2.75Å; E295-R297 IonicContact OE1-NE 3.23Å; E295-R297 IonicContact OE1-NH2 3.38Å; E295-R297 PolarHBondContact OE1-NH2 3.13Å; E295-R297 IonicContact OE2-CZ 3.52Å; E295-R297 IonicContact OE2-NE 3.82Å; E295-R297 PolarHBondContact OE2-NE 3.48Å; E295-R297 IonicContact OE2-NH2 3.14Å; E295-R297 PolarHBondContact OE2-NH2 2.79Å; R297-K299 PolarHBondContact O-N 3.43Å; R297-H300 PolarHBondContact O-N 2.91Å; R297-H300 VanDerWaalsContact O-N 3.08Å
298	H	98.5	Very high	98.6	Very high	8 Å²	8	37.5 Å²	37.5	4%	0.037	19%	0.191	C	C	.	.	H	α-helix	trans	-59.9	-22.2	-178.4	-60.2	172.5	0	0	0	112.4	Y261 I293 V294 E295 E296 H300 D301 I302	Y261-H298 AromaticContact CD1-CE1 3.94Å; Y261-H298 AromaticContact CG-CE1 3.68Å; I293-H298 HydrophobicContact CG1-CB 4.44Å; V294-H298 PolarHBondContact N-ND1 3.11Å; E295-H298 PolarHBondContact N-ND1 3.03Å; E295-H298 WeakPolarHBondContact O-CB 3.21Å; E295-H298 PolarHBondContact O-N 3.07Å; E296-H298 PolarHBondContact O-N 3.48Å; H298-H300 PolarHBondContact O-N 2.95Å; H298-D301 IonicContact CD2-OD2 3.22Å; H298-D301 PolarHBondContact O-N 3.22Å; H298-I302 HydrophobicContact CB-CD1 4.14Å; H298-I302 VanDerWaalsContact O-CB 3.23Å; H298-I302 WeakPolarHBondContact O-CB 3.43Å; H298-I302 WeakPolarHBondContact O-CD1 3.29Å; H298-I302 WeakPolarHBondContact O-CG1 3.43Å; H298-I302 PolarHBondContact O-N 3.44Å
299	K	98.4	Very high	98.6	Very high	17 Å²	17	36.3 Å²	36.3	7%	0.074	19%	0.185	C	C	.	.	H	α-helix	trans	-51.5	-44.3	173.9	-71.5	-176.3	-62.1	-168.6	0	112.4	I293 E296 R297 L303 F334	I293-K299 HydrophobicContact CD1-CD 4.4Å; I293-K299 HydrophobicContact CD1-CG 3.51Å; E296-K299 VanDerWaalsContact CG-CE 3.45Å; E296-K299 WeakPolarHBondContact O-CB 3.35Å; E296-K299 VanDerWaalsContact O-CE 3.26Å; E296-K299 WeakPolarHBondContact O-CE 3.4Å; E296-K299 WeakPolarHBondContact O-CG 3.08Å; E296-K299 PolarHBondContact O-N 2.89Å; E296-K299 IonicContact OE1-NZ 2.61Å; E296-K299 PolarHBondContact OE1-NZ 3.46Å; R297-K299 PolarHBondContact O-N 3.43Å; K299-L303 PolarHBondContact O-N 2.8Å; K299-F334 HydrophobicContact CB-CD1 4.03Å; K299-F334 HydrophobicContact CB-CD2 4.42Å; K299-F334 HydrophobicContact CB-CE1 3.75Å; K299-F334 HydrophobicContact CB-CE2 4.16Å; K299-F334 HydrophobicContact CB-CG 4.36Å; K299-F334 HydrophobicContact CB-CZ 3.82Å; K299-F334 HydrophobicContact CD-CB 4.17Å; K299-F334 HydrophobicContact CD-CD1 4.22Å; K299-F334 HydrophobicContact CD-CD2 4.25Å; K299-F334 HydrophobicContact CD-CG 3.95Å; K299-F334 HydrophobicContact CG-CD1 4.23Å; K299-F334 HydrophobicContact CG-CE1 4.43Å; K299-F334 HydrophobicContact CG-CG 4.45Å; K299-F334 VanDerWaalsContact O-CE1 3.32Å; K299-F334 WeakPolarHBondContact O-CE1 3.4Å; K299-F334 WeakPolarHBondContact O-CZ 3.46Å
300	H	98.5	Very high	98.6	Very high	114 Å²	114	36.3 Å²	36.3	53%	0.528	19%	0.185	S	C	.	.	H	α-helix	trans	-79.8	-37.6	-177.4	-59.6	91.1	0	0	0	111.4	R297 H298 L303 A304	R297-H300 PolarHBondContact O-N 2.91Å; R297-H300 VanDerWaalsContact O-N 3.08Å; H298-H300 PolarHBondContact O-N 2.95Å; H300-L303 PolarHBondContact O-N 2.89Å; H300-A304 VanDerWaalsContact O-CB 3.31Å; H300-A304 WeakPolarHBondContact O-CB 3.44Å; H300-A304 PolarHBondContact O-N 2.68Å
301	D	98.6	Very high	98.6	Very high	64 Å²	64	36.3 Å²	36.3	34%	0.342	19%	0.185	S	C	.	.	H	α-helix	trans	-64.4	-41.6	176.2	-55.3	-30.3	0	0	0	111	P265 H298 A304 G305	P265-D301 HydrophobicContact CB-CB 4.34Å; P265-D301 WeakPolarHBondContact CB-O 3.44Å; P265-D301 HydrophobicContact CG-CB 4.28Å; H298-D301 IonicContact CD2-OD2 3.22Å; H298-D301 PolarHBondContact O-N 3.22Å; D301-A304 PolarHBondContact O-N 3.22Å; D301-G305 PolarHBondContact O-N 2.94Å
302	I	98.8	Very high	98.6	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-61.8	-45.4	176	-70.5	168.5	0	0	0	110.6	A291 I293 H298 G305 G306 F307 M310	A291-I302 HydrophobicContact CB-CB 4.34Å; A291-I302 HydrophobicContact CB-CD1 3.78Å; A291-I302 HydrophobicContact CB-CG1 3.64Å; A291-I302 HydrophobicContact CB-CG2 3.79Å; I293-I302 HydrophobicContact CB-CD1 4.05Å; H298-I302 HydrophobicContact CB-CD1 4.14Å; H298-I302 VanDerWaalsContact O-CB 3.23Å; H298-I302 WeakPolarHBondContact O-CB 3.43Å; H298-I302 WeakPolarHBondContact O-CD1 3.29Å; H298-I302 WeakPolarHBondContact O-CG1 3.43Å; H298-I302 PolarHBondContact O-N 3.44Å; I302-G305 PolarHBondContact O-N 3.5Å; I302-G306 PolarHBondContact O-N 3.46Å; I302-F307 HydrophobicContact CG2-CB 3.73Å; I302-F307 HydrophobicContact CG2-CD2 4.12Å; I302-F307 HydrophobicContact CG2-CG 4.18Å; I302-F307 PolarHBondContact O-N 3.32Å; I302-M310 HydrophobicContact CD1-CB 4.08Å; I302-M310 HydrophobicContact CG2-CE 4.19Å
303	L	98.7	Very high	98.6	Very high	64 Å²	64	36.8 Å²	36.8	34%	0.335	19%	0.186	S	C	.	.	H	α-helix	trans	-63.2	-47.2	176.6	178.6	62.1	0	0	0	111.5	K299 H300 G305 G306 F334 N338 L340	K299-L303 PolarHBondContact O-N 2.8Å; H300-L303 PolarHBondContact O-N 2.89Å; L303-G305 VanDerWaalsContact C-N 3.28Å; L303-G305 PolarHBondContact O-N 3.18Å; L303-G306 PolarHBondContact O-N 2.72Å; L303-F334 HydrophobicContact CB-CZ 4.34Å; L303-F334 HydrophobicContact CD2-CZ 4.06Å; L303-N338 HydrophobicContact CD1-CB 3.99Å; L303-N338 HydrophobicContact CD2-CB 4.32Å; L303-N338 WeakPolarHBondContact CD2-OD1 3.31Å; L303-L340 HydrophobicContact CD1-CD1 4.28Å
304	A	98.6	Very high	98.6	Very high	62 Å²	62	38 Å²	38	51%	0.512	19%	0.192	S	C	.	.	H	α-helix	trans	-63.7	-34.6	179	0	0	0	0	0	112.2	P265 H300 D301 G306	P265-A304 HydrophobicContact CB-CB 4.29Å; H300-A304 VanDerWaalsContact O-CB 3.31Å; H300-A304 WeakPolarHBondContact O-CB 3.44Å; H300-A304 PolarHBondContact O-N 2.68Å; D301-A304 PolarHBondContact O-N 3.22Å; A304-G306 PolarHBondContact O-N 2.93Å
305	G	98.5	Very high	98.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-10.6	176.5	0	0	0	0	0	114.7	P265 W268 S269 L272 D301 I302 L303	P265-G305 WeakPolarHBondContact O-CA 3.39Å; W268-G305 CarbonylContact C-O 3.49Å; W268-G305 VanDerWaalsContact C-O 3.24Å; W268-G305 WeakPolarHBondContact CB-O 3.49Å; S269-G305 PolarHBondContact N-O 2.61Å; L272-G305 WeakPolarHBondContact CB-O 3.06Å; D301-G305 PolarHBondContact O-N 2.94Å; I302-G305 PolarHBondContact O-N 3.5Å; L303-G305 VanDerWaalsContact C-N 3.28Å; L303-G305 PolarHBondContact O-N 3.18Å
306	G	98.7	Very high	98.6	Very high	18 Å²	18	33.2 Å²	33.2	19%	0.186	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	19.1	176.8	0	0	0	0	0	115.3	L272 R281 I302 L303 A304	L272-G306 WeakPolarHBondContact CB-O 3.42Å; R281-G306 PolarHBondContact NH2-O 2.88Å; I302-G306 PolarHBondContact O-N 3.46Å; L303-G306 PolarHBondContact O-N 2.72Å; A304-G306 PolarHBondContact O-N 2.93Å
307	F	98.8	Very high	98.6	Very high	10 Å²	10	30.9 Å²	30.9	4%	0.044	16%	0.16	C	C	.	.			trans	-64.6	154.4	173.2	-74.6	-83.7	0	0	0	112.2	I257 W268 L272 F289 A291 I302 L340	I257-F307 HydrophobicContact CB-CE1 4.35Å; I257-F307 HydrophobicContact CG1-CE1 4.07Å; W268-F307 HydrophobicContact CB-CE2 4.1Å; W268-F307 AromaticContact CD1-CE2 3.56Å; W268-F307 AromaticContact CD1-CZ 3.9Å; W268-F307 HydrophobicContact CD2-CE2 4.02Å; W268-F307 AromaticContact CD2-CZ 3.69Å; W268-F307 HydrophobicContact CD2-CZ 3.69Å; W268-F307 AromaticContact CE2-CZ 3.68Å; W268-F307 HydrophobicContact CE3-CZ 4.31Å; W268-F307 AromaticContact CG-CE2 3.62Å; W268-F307 HydrophobicContact CG-CE2 3.62Å; W268-F307 AromaticContact CG-CZ 3.82Å; W268-F307 HydrophobicContact CG-CZ 3.82Å; W268-F307 HydrophobicContact CZ2-CZ 4.29Å; W268-F307 AromaticContact NE1-CE2 3.85Å; W268-F307 AromaticContact NE1-CZ 3.77Å; L272-F307 HydrophobicContact CD1-CD1 3.73Å; L272-F307 HydrophobicContact CD1-CD2 4.11Å; L272-F307 HydrophobicContact CD1-CE1 3.75Å; L272-F307 HydrophobicContact CD1-CE2 4.13Å; L272-F307 HydrophobicContact CD1-CG 3.92Å; L272-F307 HydrophobicContact CD1-CZ 3.95Å; F289-F307 HydrophobicContact CB-CD1 3.8Å; F289-F307 HydrophobicContact CB-CE1 4.26Å; A291-F307 HydrophobicContact CB-CB 4.26Å; A291-F307 HydrophobicContact CB-CD1 3.64Å; A291-F307 HydrophobicContact CB-CD2 3.86Å; A291-F307 HydrophobicContact CB-CE1 3.83Å; A291-F307 HydrophobicContact CB-CE2 4.04Å; A291-F307 HydrophobicContact CB-CG 3.65Å; A291-F307 HydrophobicContact CB-CZ 4.03Å; I302-F307 HydrophobicContact CG2-CB 3.73Å; I302-F307 HydrophobicContact CG2-CD2 4.12Å; I302-F307 HydrophobicContact CG2-CG 4.18Å; I302-F307 PolarHBondContact O-N 3.32Å; F307-L340 WeakPolarHBondContact O-CD2 3.37Å
308	D	98.6	Very high	98.6	Very high	35 Å²	35	26 Å²	26	19%	0.187	16%	0.156	C	C	.	.	S	Bend	trans	-90.9	-9.5	179.6	-55.9	-76.8	0	0	0	112.9	R281 M288 F289 L340 L341	R281-D308 IonicContact CZ-OD1 3.04Å; R281-D308 IonicContact CZ-OD2 3.32Å; R281-D308 IonicContact NH1-OD1 2.69Å; R281-D308 PolarHBondContact NH1-OD1 3.2Å; R281-D308 IonicContact NH1-OD2 3.51Å; R281-D308 PolarHBondContact NH1-OD2 2.89Å; R281-D308 IonicContact NH2-OD1 3.34Å; R281-D308 PolarHBondContact NH2-OD1 3.28Å; R281-D308 VanDerWaalsContact NH2-OD1 3.14Å; R281-D308 IonicContact NH2-OD2 3.31Å; R281-D308 PolarHBondContact NH2-OD2 2.76Å; M288-D308 WeakPolarHBondContact CA-OD2 3.29Å; M288-D308 HydrophobicContact CE-CB 3.54Å; M288-D308 HydrophobicContact SD-CB 4.2Å; F289-D308 PolarHBondContact N-OD2 3.29Å; F289-D308 PolarHBondContact O-N 3.33Å; D308-L340 WeakPolarHBondContact O-CA 3.4Å; D308-L341 PolarHBondContact O-N 3.49Å
309	G	98.6	Very high	98.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.6	179.1	-178.5	0	0	0	0	0	113.7	F289 A291 L341	F289-G309 PolarHBondContact O-N 2.64Å; A291-G309 PolarHBondContact N-O 3.34Å; G309-L341 CarbonylContact C-O 3.43Å; G309-L341 WeakPolarHBondContact CA-O 3.28Å
310	M	98.7	Very high	98.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	145.9	174.5	64.6	-170.9	75.8	0	0	112.8	A291 I293 I302 I331 F334 C335 L340 L341 F342 I343	A291-M310 CarbonylContact O-C 3.38Å; A291-M310 WeakPolarHBondContact O-CA 3.31Å; I293-M310 HydrophobicContact CB-CB 4.31Å; I293-M310 HydrophobicContact CB-SD 4.2Å; I293-M310 HydrophobicContact CD1-SD 3.71Å; I293-M310 HydrophobicContact CG2-CB 4.13Å; I293-M310 HydrophobicContact CG2-CG 4.12Å; I293-M310 HydrophobicContact CG2-SD 4.15Å; I302-M310 HydrophobicContact CD1-CB 4.08Å; I302-M310 HydrophobicContact CG2-CE 4.19Å; M310-I331 HydrophobicContact CG-CG2 4.12Å; M310-I331 HydrophobicContact SD-CG2 3.49Å; M310-I331 WeakPolarHBondContact SD-CG2 3.43Å; M310-F334 HydrophobicContact CE-CD1 3.95Å; M310-F334 HydrophobicContact CE-CE1 4.02Å; M310-C335 VanDerWaalsContact CE-SG 3.56Å; M310-L340 HydrophobicContact CE-CD1 3.78Å; M310-L341 PolarHBondContact N-O 2.87Å; M310-F342 HydrophobicContact CG-CD2 4.13Å; M310-I343 PolarHBondContact O-N 3.46Å
311	Y	98.9	Very high	98.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	165.1	175.5	83.2	-67	0	0	0	111.7	F96 Q212 Y256 Y258 I290 A291 L292 I293 Y313 I343	F96-Y311 HydrophobicContact CE1-CE2 4.01Å; F96-Y311 HydrophobicContact CE2-CD2 4.31Å; F96-Y311 HydrophobicContact CE2-CE2 4.24Å; F96-Y311 AromaticContact CZ-CD2 3.61Å; F96-Y311 HydrophobicContact CZ-CD2 3.61Å; F96-Y311 AromaticContact CZ-CE2 3.42Å; F96-Y311 HydrophobicContact CZ-CE2 3.42Å; F96-Y311 VanDerWaalsContact CZ-CE2 3.42Å; Q212-Y311 PolarHBondContact NE2-OH 3.44Å; Y256-Y311 AromaticContact CD1-CD1 3.87Å; Y256-Y311 HydrophobicContact CD1-CD1 3.87Å; Y256-Y311 AromaticContact CD1-CD2 3.95Å; Y256-Y311 HydrophobicContact CD1-CD2 3.95Å; Y256-Y311 HydrophobicContact CD1-CE1 4.14Å; Y256-Y311 HydrophobicContact CD1-CE2 4.18Å; Y256-Y311 AromaticContact CD1-CG 3.76Å; Y256-Y311 HydrophobicContact CD1-CG 3.76Å; Y256-Y311 HydrophobicContact CE1-CD2 4.41Å; Y256-Y311 HydrophobicContact CE1-CG 4.19Å; Y258-Y311 WeakPolarHBondContact CA-OH 3.36Å; Y258-Y311 WeakPolarHBondContact CD2-OH 3.3Å; I290-Y311 HydrophobicContact CG2-CD1 3.94Å; I290-Y311 HydrophobicContact CG2-CG 4.29Å; A291-Y311 VanDerWaalsContact O-CD1 3.27Å; A291-Y311 WeakPolarHBondContact O-CD1 3.35Å; A291-Y311 PolarHBondContact O-N 3.29Å; L292-Y311 HydrophobicContact CB-CD1 4.38Å; L292-Y311 HydrophobicContact CB-CE1 3.76Å; L292-Y311 HydrophobicContact CD1-CD1 4.49Å; L292-Y311 HydrophobicContact CD1-CE1 4.19Å; L292-Y311 HydrophobicContact CD1-CE2 4.3Å; I293-Y311 WeakPolarHBondContact CG2-O 3.31Å; I293-Y311 PolarHBondContact N-O 3.48Å; Y311-Y313 HydrophobicContact CE2-CD2 4.07Å; Y311-Y313 HydrophobicContact CE2-CG 4.31Å; Y311-I343 WeakPolarHBondContact CA-O 3.43Å; Y311-I343 VanDerWaalsContact CB-O 3.3Å; Y311-I343 WeakPolarHBondContact CB-O 3.09Å
312	T	98.9	Very high	98.6	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.141	C	C	.	.			trans	-112.7	-15.5	-165.8	64.2	0	0	0	0	115.2	I293 F314 G322 F342 S345	I293-T312 HydrophobicContact CG2-CG2 4Å; T312-F314 VanDerWaalsContact C-N 3.29Å; T312-F314 WeakPolarHBondContact O-CD2 3.44Å; T312-F314 PolarHBondContact O-N 2.89Å; T312-G322 WeakPolarHBondContact CB-O 3.4Å; T312-G322 WeakPolarHBondContact CG2-O 3.29Å; T312-F342 HydrophobicContact CG2-CE2 3.78Å; T312-F342 HydrophobicContact CG2-CZ 4.11Å; T312-S345 PolarHBondContact N-OG 2.83Å; T312-S345 WeakPolarHBondContact OG1-CB 3.46Å; T312-S345 PolarHBondContact OG1-N 3.5Å
313	Y	98.9	Very high	98.6	Very high	9 Å²	9	22.8 Å²	22.8	4%	0.035	14%	0.14	C	C	.	.			trans	51.3	-68.7	179.6	-173.7	-101	0	0	0	116.4	F96 Y98 Y258 Y311 A315 S345 T390	F96-Y313 HydrophobicContact CD2-CD2 4.13Å; F96-Y313 HydrophobicContact CD2-CE2 4.32Å; F96-Y313 AromaticContact CE2-CD2 3.96Å; F96-Y313 HydrophobicContact CE2-CD2 3.96Å; F96-Y313 HydrophobicContact CG-CE2 4.39Å; F96-Y313 HydrophobicContact CZ-CD2 4.22Å; Y98-Y313 WeakPolarHBondContact OH-CE2 3.45Å; Y98-Y313 PolarHBondContact OH-OH 2.91Å; Y258-Y313 HydrophobicContact CD2-CD1 4.34Å; Y258-Y313 HydrophobicContact CD2-CD2 4.25Å; Y258-Y313 HydrophobicContact CD2-CG 4.13Å; Y258-Y313 AromaticContact CE2-CD1 3.37Å; Y258-Y313 HydrophobicContact CE2-CD1 3.37Å; Y258-Y313 HydrophobicContact CE2-CD2 4.02Å; Y258-Y313 AromaticContact CE2-CE1 3.63Å; Y258-Y313 HydrophobicContact CE2-CE1 3.63Å; Y258-Y313 HydrophobicContact CE2-CE2 4.24Å; Y258-Y313 AromaticContact CE2-CG 3.58Å; Y258-Y313 HydrophobicContact CE2-CG 3.58Å; Y258-Y313 AromaticContact CZ-CD1 3.95Å; Y258-Y313 AromaticContact CZ-CE1 3.79Å; Y258-Y313 WeakPolarHBondContact OH-CE1 3.42Å; Y311-Y313 HydrophobicContact CE2-CD2 4.07Å; Y311-Y313 HydrophobicContact CE2-CG 4.31Å; Y313-A315 PolarHBondContact O-N 3.49Å; Y313-S345 WeakPolarHBondContact CA-OG 3.39Å; Y313-S345 VanDerWaalsContact N-CB 3.26Å; Y313-S345 PolarHBondContact N-OG 3.41Å; Y313-S345 WeakPolarHBondContact O-CB 3.5Å; Y313-T390 HydrophobicContact CD2-CG2 4.47Å; Y313-T390 HydrophobicContact CE2-CG2 4.26Å; Y313-T390 WeakPolarHBondContact O-CB 3.26Å; Y313-T390 VanDerWaalsContact O-CG2 3.31Å; Y313-T390 WeakPolarHBondContact O-CG2 3.43Å; Y313-T390 PolarHBondContact O-OG1 3.24Å
314	F	98.8	Very high	98.6	Very high	27 Å²	27	20.4 Å²	20.4	12%	0.118	13%	0.128	C	C	.	.			trans	-60	127.3	-163.8	-50.6	-77.5	0	0	0	113.3	L292 V294 T312 S316 F319 S323	L292-F314 HydrophobicContact CD1-CE2 4.49Å; L292-F314 HydrophobicContact CD2-CE2 4.36Å; L292-F314 HydrophobicContact CD2-CZ 4.3Å; V294-F314 HydrophobicContact CG2-CE2 4.05Å; T312-F314 VanDerWaalsContact C-N 3.29Å; T312-F314 WeakPolarHBondContact O-CD2 3.44Å; T312-F314 PolarHBondContact O-N 2.89Å; F314-S316 PolarHBondContact O-N 3.43Å; F314-F319 HydrophobicContact CB-CD1 3.89Å; F314-F319 AromaticContact CD1-CD1 3.61Å; F314-F319 HydrophobicContact CD1-CD1 3.61Å; F314-F319 AromaticContact CD1-CE1 3.51Å; F314-F319 HydrophobicContact CD1-CE1 3.51Å; F314-F319 AromaticContact CD2-CD1 3.67Å; F314-F319 HydrophobicContact CD2-CD1 3.67Å; F314-F319 AromaticContact CD2-CE1 3.99Å; F314-F319 HydrophobicContact CD2-CE1 3.99Å; F314-F319 HydrophobicContact CE1-CD1 4.03Å; F314-F319 AromaticContact CE1-CE1 3.46Å; F314-F319 HydrophobicContact CE1-CE1 3.46Å; F314-F319 VanDerWaalsContact CE1-CE1 3.46Å; F314-F319 HydrophobicContact CE1-CZ 4.42Å; F314-F319 HydrophobicContact CE2-CD1 4.06Å; F314-F319 AromaticContact CE2-CE1 3.93Å; F314-F319 HydrophobicContact CE2-CE1 3.93Å; F314-F319 AromaticContact CG-CD1 3.43Å; F314-F319 HydrophobicContact CG-CD1 3.43Å; F314-F319 VanDerWaalsContact CG-CD1 3.43Å; F314-F319 AromaticContact CG-CE1 3.79Å; F314-F319 HydrophobicContact CG-CE1 3.79Å; F314-F319 HydrophobicContact CZ-CD1 4.24Å; F314-F319 AromaticContact CZ-CE1 3.68Å; F314-F319 HydrophobicContact CZ-CE1 3.68Å; F314-S323 WeakPolarHBondContact O-CB 3.3Å
315	A	98.6	Very high	98.6	Very high	5 Å²	5	18.9 Å²	18.9	4%	0.041	11%	0.11	C	C	.	.	S	Bend	trans	-69.6	-20.1	177.6	0	0	0	0	0	113.5	Y313 N317 G349 Y371 T390 T399	Y313-A315 PolarHBondContact O-N 3.49Å; A315-N317 PolarHBondContact O-N 2.87Å; A315-G349 WeakPolarHBondContact CB-O 3.43Å; A315-Y371 WeakPolarHBondContact O-CE1 3.39Å; A315-Y371 PolarHBondContact O-OH 2.63Å; A315-T390 HydrophobicContact CB-CG2 4.4Å; A315-T399 HydrophobicContact CB-CG2 3.6Å
316	S	98.6	Very high	98.6	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.014	15%	0.148	C	C	.	.	S	Bend	trans	-82.2	107.5	179.2	-72.8	0	0	0	0	112.4	F314 G318 F319 S323 Y350 N362	F314-S316 PolarHBondContact O-N 3.43Å; S316-G318 PolarHBondContact O-N 3.48Å; S316-F319 VanDerWaalsContact O-CB 3.3Å; S316-F319 WeakPolarHBondContact O-CB 3.44Å; S316-F319 PolarHBondContact O-N 2.68Å; S316-F319 VanDerWaalsContact O-N 3.11Å; S316-S323 PolarHBondContact O-OG 2.98Å; S316-Y350 WeakPolarHBondContact OG-CB 3.39Å; S316-Y350 WeakPolarHBondContact OG-CD1 3.34Å; S316-N362 PolarHBondContact OG-O 3.32Å
317	N	98.6	Very high	98.6	Very high	57 Å²	57	27.4 Å²	27.4	31%	0.305	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	125.8	170.8	-178.7	27.6	0	0	0	109.5	A315 S323 S324 H325 R364 Y371	A315-N317 PolarHBondContact O-N 2.87Å; N317-S323 WeakPolarHBondContact CA-O 3.43Å; N317-S324 WeakPolarHBondContact OD1-CA 3.34Å; N317-H325 PolarHBondContact OD1-N 2.89Å; N317-R364 PolarHBondContact O-NE 3.07Å; N317-R364 VanDerWaalsContact O-NE 3.14Å; N317-R364 PolarHBondContact O-NH2 2.97Å; N317-Y371 WeakPolarHBondContact CB-OH 3.37Å; N317-Y371 PolarHBondContact N-OH 2.87Å
318	G	98	Very high	98.6	Very high	48 Å²	48	27 Å²	27	50%	0.495	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.6	-3.5	-177	0	0	0	0	0	115.5	S316 S324	S316-G318 PolarHBondContact O-N 3.48Å; G318-S324 VanDerWaalsContact CA-OG 3.3Å; G318-S324 WeakPolarHBondContact CA-OG 3.48Å
319	F	98.1	Very high	98.6	Very high	90 Å²	90	33.4 Å²	33.4	40%	0.395	17%	0.171	S	C	.	.	S	Bend	trans	-67.9	-41.3	178.9	175.7	-108.4	0	0	0	112.5	F314 S316 S323 N362	F314-F319 HydrophobicContact CB-CD1 3.89Å; F314-F319 AromaticContact CD1-CD1 3.61Å; F314-F319 HydrophobicContact CD1-CD1 3.61Å; F314-F319 AromaticContact CD1-CE1 3.51Å; F314-F319 HydrophobicContact CD1-CE1 3.51Å; F314-F319 AromaticContact CD2-CD1 3.67Å; F314-F319 HydrophobicContact CD2-CD1 3.67Å; F314-F319 AromaticContact CD2-CE1 3.99Å; F314-F319 HydrophobicContact CD2-CE1 3.99Å; F314-F319 HydrophobicContact CE1-CD1 4.03Å; F314-F319 AromaticContact CE1-CE1 3.46Å; F314-F319 HydrophobicContact CE1-CE1 3.46Å; F314-F319 VanDerWaalsContact CE1-CE1 3.46Å; F314-F319 HydrophobicContact CE1-CZ 4.42Å; F314-F319 HydrophobicContact CE2-CD1 4.06Å; F314-F319 AromaticContact CE2-CE1 3.93Å; F314-F319 HydrophobicContact CE2-CE1 3.93Å; F314-F319 AromaticContact CG-CD1 3.43Å; F314-F319 HydrophobicContact CG-CD1 3.43Å; F314-F319 VanDerWaalsContact CG-CD1 3.43Å; F314-F319 AromaticContact CG-CE1 3.79Å; F314-F319 HydrophobicContact CG-CE1 3.79Å; F314-F319 HydrophobicContact CZ-CD1 4.24Å; F314-F319 AromaticContact CZ-CE1 3.68Å; F314-F319 HydrophobicContact CZ-CE1 3.68Å; S316-F319 VanDerWaalsContact O-CB 3.3Å; S316-F319 WeakPolarHBondContact O-CB 3.44Å; S316-F319 PolarHBondContact O-N 2.68Å; S316-F319 VanDerWaalsContact O-N 3.11Å; F319-S323 PolarHBondContact N-OG 3.47Å; F319-N362 WeakPolarHBondContact CD2-OD1 3.49Å
320	S	98.6	Very high	98.6	Very high	13 Å²	13	35.9 Å²	35.9	9%	0.091	19%	0.191	C	C	.	.	S	Bend	trans	-135.1	170.6	178.6	68.7	0	0	0	0	110.6	V294 G322 S323 S324	V294-S320 WeakPolarHBondContact O-CB 3.46Å; S320-G322 VanDerWaalsContact C-N 3.27Å; S320-G322 PolarHBondContact O-N 3.35Å; S320-G322 PolarHBondContact OG-N 2.86Å; S320-S323 PolarHBondContact N-OG 2.94Å; S320-S323 VanDerWaalsContact N-OG 3.07Å; S320-S323 PolarHBondContact O-N 3.31Å; S320-S323 WeakPolarHBondContact OG-CB 3.35Å; S320-S323 PolarHBondContact OG-N 3.38Å; S320-S323 PolarHBondContact OG-OG 2.96Å; S320-S323 VanDerWaalsContact OG-OG 3.12Å; S320-S324 WeakPolarHBondContact O-CB 3.5Å; S320-S324 PolarHBondContact O-N 3.48Å; S320-S324 PolarHBondContact O-OG 2.89Å
321	F	98.8	Very high	98.6	Very high	38 Å²	38	35.9 Å²	35.9	17%	0.167	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-43	170.6	170.6	-90.3	0	0	0	110.6	I293 V294 E296 S324 N327 I331	I293-F321 HydrophobicContact CD1-CD1 4.16Å; I293-F321 HydrophobicContact CD1-CE1 4.04Å; I293-F321 HydrophobicContact CG1-CD1 4.44Å; V294-F321 WeakPolarHBondContact O-CA 3.5Å; V294-F321 VanDerWaalsContact O-CB 3.24Å; V294-F321 WeakPolarHBondContact O-CB 3.27Å; V294-F321 PolarHBondContact O-N 3.1Å; E296-F321 HydrophobicContact CB-CD1 4.07Å; E296-F321 HydrophobicContact CB-CD2 3.81Å; E296-F321 HydrophobicContact CB-CE1 4.04Å; E296-F321 HydrophobicContact CB-CE2 3.79Å; E296-F321 HydrophobicContact CB-CG 3.96Å; E296-F321 HydrophobicContact CB-CZ 3.92Å; E296-F321 HydrophobicContact CG-CD2 4.38Å; E296-F321 HydrophobicContact CG-CE1 4.07Å; E296-F321 HydrophobicContact CG-CE2 3.83Å; E296-F321 HydrophobicContact CG-CZ 3.67Å; F321-S324 PolarHBondContact O-N 2.86Å; F321-N327 HydrophobicContact CD2-CB 4.3Å; F321-N327 WeakPolarHBondContact CD2-ND2 3.37Å; F321-N327 HydrophobicContact CE1-CB 4.41Å; F321-N327 HydrophobicContact CE2-CB 3.92Å; F321-N327 HydrophobicContact CZ-CB 3.97Å; F321-N327 PolarHBondContact O-ND2 3.34Å; F321-I331 HydrophobicContact CD1-CD1 4.21Å; F321-I331 HydrophobicContact CE1-CD1 3.75Å; F321-I331 HydrophobicContact CE1-CG1 3.68Å; F321-I331 HydrophobicContact CZ-CG1 4.19Å
322	G	98.6	Very high	98.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-41.9	179.6	0	0	0	0	0	113.8	V294 T312 S320 S324 W328	V294-G322 PolarHBondContact O-N 2.88Å; T312-G322 WeakPolarHBondContact CB-O 3.4Å; T312-G322 WeakPolarHBondContact CG2-O 3.29Å; S320-G322 VanDerWaalsContact C-N 3.27Å; S320-G322 PolarHBondContact O-N 3.35Å; S320-G322 PolarHBondContact OG-N 2.86Å; G322-S324 VanDerWaalsContact C-N 3.3Å; G322-S324 PolarHBondContact O-N 3.43Å; G322-W328 PolarHBondContact O-NE1 3.14Å
323	S	98.7	Very high	98.6	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.007	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-3.1	-178.9	72.9	0	0	0	0	114.4	F314 S316 N317 F319 S320 H325	F314-S323 WeakPolarHBondContact O-CB 3.3Å; S316-S323 PolarHBondContact O-OG 2.98Å; N317-S323 WeakPolarHBondContact CA-O 3.43Å; F319-S323 PolarHBondContact N-OG 3.47Å; S320-S323 PolarHBondContact N-OG 2.94Å; S320-S323 VanDerWaalsContact N-OG 3.07Å; S320-S323 PolarHBondContact O-N 3.31Å; S320-S323 WeakPolarHBondContact OG-CB 3.35Å; S320-S323 PolarHBondContact OG-N 3.38Å; S320-S323 PolarHBondContact OG-OG 2.96Å; S320-S323 VanDerWaalsContact OG-OG 3.12Å; S323-H325 PolarHBondContact O-N 3.44Å
324	S	98.8	Very high	98.6	Very high	13 Å²	13	41 Å²	41	9%	0.091	23%	0.225	C	C	.	.			trans	-83	111.2	177.2	-65.1	0	0	0	0	110.9	N317 G318 S320 F321 G322 Q326 N327	N317-S324 WeakPolarHBondContact OD1-CA 3.34Å; G318-S324 VanDerWaalsContact CA-OG 3.3Å; G318-S324 WeakPolarHBondContact CA-OG 3.48Å; S320-S324 WeakPolarHBondContact O-CB 3.5Å; S320-S324 PolarHBondContact O-N 3.48Å; S320-S324 PolarHBondContact O-OG 2.89Å; F321-S324 PolarHBondContact O-N 2.86Å; G322-S324 VanDerWaalsContact C-N 3.3Å; G322-S324 PolarHBondContact O-N 3.43Å; S324-Q326 PolarHBondContact O-N 2.96Å; S324-N327 WeakPolarHBondContact CB-ND2 3.46Å; S324-N327 WeakPolarHBondContact O-CB 3.36Å; S324-N327 PolarHBondContact O-N 2.81Å
325	H	98.6	Very high	98.6	Very high	31 Å²	31	39.7 Å²	39.7	14%	0.144	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-55.5	-32.3	-172.6	-57.7	170.7	0	0	0	113.4	N317 S323 N327 W328 A375 A378	N317-H325 PolarHBondContact OD1-N 2.89Å; S323-H325 PolarHBondContact O-N 3.44Å; H325-N327 PolarHBondContact O-N 3.49Å; H325-W328 HydrophobicContact CB-CE3 4.39Å; H325-W328 AromaticContact CD2-CE2 3.96Å; H325-W328 AromaticContact CD2-CH2 3.35Å; H325-W328 WeakPolarHBondContact CD2-CH2 3.39Å; H325-W328 AromaticContact CD2-CZ2 3.43Å; H325-W328 VanDerWaalsContact CD2-CZ2 3.43Å; H325-W328 WeakPolarHBondContact CD2-CZ2 3.42Å; H325-W328 AromaticContact CD2-CZ3 3.84Å; H325-W328 AromaticContact NE2-CH2 3.72Å; H325-W328 WeakPolarHBondContact O-CB 3.16Å; H325-W328 PolarHBondContact O-N 3.15Å; H325-A375 VanDerWaalsContact CE1-CA 3.47Å; H325-A375 WeakPolarHBondContact CE1-CA 3.24Å; H325-A378 HydrophobicContact CB-CB 3.95Å
326	Q	98.6	Very high	98.6	Very high	167 Å²	167	43.7 Å²	43.7	78%	0.78	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-60.8	-23.8	177.8	68.3	-175.5	26.9	0	0	113.7	S324	S324-Q326 PolarHBondContact O-N 2.96Å
327	N	98.8	Very high	98.6	Very high	30 Å²	30	46.7 Å²	46.7	16%	0.16	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-90.7	-16.2	-178.1	-61.6	-28.4	0	0	0	112.7	F321 S324 H325 K329 A330 I331	F321-N327 HydrophobicContact CD2-CB 4.3Å; F321-N327 WeakPolarHBondContact CD2-ND2 3.37Å; F321-N327 HydrophobicContact CE1-CB 4.41Å; F321-N327 HydrophobicContact CE2-CB 3.92Å; F321-N327 HydrophobicContact CZ-CB 3.97Å; F321-N327 PolarHBondContact O-ND2 3.34Å; S324-N327 WeakPolarHBondContact CB-ND2 3.46Å; S324-N327 WeakPolarHBondContact O-CB 3.36Å; S324-N327 PolarHBondContact O-N 2.81Å; H325-N327 PolarHBondContact O-N 3.49Å; N327-K329 VanDerWaalsContact C-N 3.26Å; N327-K329 PolarHBondContact O-N 2.73Å; N327-A330 WeakPolarHBondContact O-CA 3.39Å; N327-A330 WeakPolarHBondContact O-CB 3.28Å; N327-A330 PolarHBondContact O-N 3.44Å; N327-I331 HydrophobicContact CB-CD1 4.28Å; N327-I331 WeakPolarHBondContact O-CG1 3.31Å; N327-I331 PolarHBondContact O-N 3.25Å
328	W	98.8	Very high	98.5	Very high	2 Å²	2	47 Å²	47	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-59.3	-34.3	-172.8	-71.3	-5.3	0	0	0	113.5	G322 H325 A330 I331 K332 F342 P344 V346 A378 A379 V382	G322-W328 PolarHBondContact O-NE1 3.14Å; H325-W328 HydrophobicContact CB-CE3 4.39Å; H325-W328 AromaticContact CD2-CE2 3.96Å; H325-W328 AromaticContact CD2-CH2 3.35Å; H325-W328 WeakPolarHBondContact CD2-CH2 3.39Å; H325-W328 AromaticContact CD2-CZ2 3.43Å; H325-W328 VanDerWaalsContact CD2-CZ2 3.43Å; H325-W328 WeakPolarHBondContact CD2-CZ2 3.42Å; H325-W328 AromaticContact CD2-CZ3 3.84Å; H325-W328 AromaticContact NE2-CH2 3.72Å; H325-W328 WeakPolarHBondContact O-CB 3.16Å; H325-W328 PolarHBondContact O-N 3.15Å; W328-A330 VanDerWaalsContact C-N 3.34Å; W328-A330 PolarHBondContact O-N 2.87Å; W328-I331 PolarHBondContact O-N 3.07Å; W328-K332 WeakPolarHBondContact O-CB 3.5Å; W328-K332 PolarHBondContact O-N 3.38Å; W328-F342 HydrophobicContact CB-CE1 3.96Å; W328-F342 HydrophobicContact CB-CZ 4.08Å; W328-F342 AromaticContact CD1-CZ 3.76Å; W328-F342 HydrophobicContact CG-CE1 4.15Å; W328-F342 AromaticContact CG-CZ 3.87Å; W328-F342 HydrophobicContact CG-CZ 3.87Å; W328-P344 HydrophobicContact CD2-CB 4.19Å; W328-P344 HydrophobicContact CE3-CB 4.2Å; W328-P344 HydrophobicContact CH2-CB 4.28Å; W328-P344 HydrophobicContact CZ2-CB 4.25Å; W328-P344 HydrophobicContact CZ3-CB 4.25Å; W328-V346 HydrophobicContact CH2-CG1 3.91Å; W328-V346 HydrophobicContact CZ3-CG1 4.33Å; W328-A378 HydrophobicContact CE3-CB 3.9Å; W328-A378 HydrophobicContact CZ3-CB 3.69Å; W328-A379 HydrophobicContact CE3-CB 4.41Å; W328-A379 HydrophobicContact CZ3-CB 3.81Å; W328-V382 HydrophobicContact CB-CG1 3.92Å; W328-V382 HydrophobicContact CB-CG2 4.39Å
329	K	98.6	Very high	98.4	Very high	169 Å²	169	52 Å²	52	74%	0.735	29%	0.289	S	S	*	.	H	α-helix	trans	-62.5	-41.3	174.2	-174.4	178.1	-179.3	179.1	0	112	N327 A333 V382	N327-K329 VanDerWaalsContact C-N 3.26Å; N327-K329 PolarHBondContact O-N 2.73Å; K329-A333 WeakPolarHBondContact O-CB 3.46Å; K329-A333 PolarHBondContact O-N 3.39Å; K329-V382 HydrophobicContact CB-CG1 4.35Å
330	A	98.6	Very high	98.4	Very high	51 Å²	51	48.5 Å²	48.5	42%	0.421	27%	0.273	S	S	.	.	H	α-helix	trans	-72	-37.2	178.8	0	0	0	0	0	111.6	N327 W328 F334	N327-A330 WeakPolarHBondContact O-CA 3.39Å; N327-A330 WeakPolarHBondContact O-CB 3.28Å; N327-A330 PolarHBondContact O-N 3.44Å; W328-A330 VanDerWaalsContact C-N 3.34Å; W328-A330 PolarHBondContact O-N 2.87Å; A330-F334 PolarHBondContact O-N 3.22Å
331	I	98.8	Very high	98.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-65.4	-49.4	175.1	-60.5	169.3	0	0	0	110.1	I293 M310 F321 N327 W328 A333 F334 C335 F342	I293-I331 HydrophobicContact CD1-CD1 4.17Å; I293-I331 HydrophobicContact CD1-CG1 4.26Å; I293-I331 HydrophobicContact CD1-CG2 4.36Å; M310-I331 HydrophobicContact CG-CG2 4.12Å; M310-I331 HydrophobicContact SD-CG2 3.49Å; M310-I331 WeakPolarHBondContact SD-CG2 3.43Å; F321-I331 HydrophobicContact CD1-CD1 4.21Å; F321-I331 HydrophobicContact CE1-CD1 3.75Å; F321-I331 HydrophobicContact CE1-CG1 3.68Å; F321-I331 HydrophobicContact CZ-CG1 4.19Å; N327-I331 HydrophobicContact CB-CD1 4.28Å; N327-I331 WeakPolarHBondContact O-CG1 3.31Å; N327-I331 PolarHBondContact O-N 3.25Å; W328-I331 PolarHBondContact O-N 3.07Å; I331-A333 VanDerWaalsContact C-N 3.33Å; I331-A333 PolarHBondContact O-N 2.96Å; I331-F334 WeakPolarHBondContact O-CB 3.41Å; I331-F334 PolarHBondContact O-N 2.98Å; I331-F334 VanDerWaalsContact O-N 3.1Å; I331-C335 PolarHBondContact O-N 3.01Å; I331-C335 PolarHBondContact O-SG 2.92Å; I331-F342 HydrophobicContact CB-CD2 4.34Å; I331-F342 HydrophobicContact CB-CE2 4.04Å; I331-F342 HydrophobicContact CB-CZ 4.23Å; I331-F342 HydrophobicContact CD1-CE2 4.46Å; I331-F342 HydrophobicContact CG2-CD2 3.43Å; I331-F342 VanDerWaalsContact CG2-CD2 3.43Å; I331-F342 HydrophobicContact CG2-CE2 3.41Å; I331-F342 VanDerWaalsContact CG2-CE2 3.41Å; I331-F342 HydrophobicContact CG2-CG 4.15Å; I331-F342 HydrophobicContact CG2-CZ 4.09Å
332	K	98.7	Very high	98.4	Very high	20 Å²	20	47 Å²	47	9%	0.087	27%	0.266	C	S	.	.	H	α-helix	trans	-56	-46.3	175.7	-177.1	65.5	163.1	79.7	0	111.9	W328 F334 C335 D336 F342 V382 R383 E385	W328-K332 WeakPolarHBondContact O-CB 3.5Å; W328-K332 PolarHBondContact O-N 3.38Å; K332-F334 VanDerWaalsContact C-N 3.3Å; K332-F334 PolarHBondContact O-N 3.37Å; K332-C335 WeakPolarHBondContact O-CB 3.21Å; K332-C335 PolarHBondContact O-N 3.17Å; K332-C335 VanDerWaalsContact O-N 3.16Å; K332-D336 IonicContact NZ-OD1 2.94Å; K332-D336 PolarHBondContact NZ-OD1 3.34Å; K332-D336 IonicContact NZ-OD2 3.71Å; K332-D336 PolarHBondContact NZ-OD2 2.63Å; K332-D336 WeakPolarHBondContact O-CB 3.23Å; K332-D336 VanDerWaalsContact O-CG 3.24Å; K332-D336 PolarHBondContact O-N 3.01Å; K332-F342 HydrophobicContact CB-CD1 3.87Å; K332-F342 HydrophobicContact CB-CG 4.5Å; K332-F342 HydrophobicContact CD-CB 3.79Å; K332-F342 HydrophobicContact CD-CD1 4.02Å; K332-F342 HydrophobicContact CD-CG 4.37Å; K332-V382 HydrophobicContact CB-CB 4.28Å; K332-V382 WeakPolarHBondContact CE-O 2.99Å; K332-V382 HydrophobicContact CG-CB 4.48Å; K332-V382 WeakPolarHBondContact CG-O 3.46Å; K332-R383 VanDerWaalsContact CE-O 3.31Å; K332-R383 WeakPolarHBondContact CE-O 3.49Å; K332-E385 IonicContact NZ-OE1 3.62Å
333	A	98.8	Very high	98.4	Very high	62 Å²	62	47.1 Å²	47.1	51%	0.512	27%	0.267	S	S	.	.	H	α-helix	trans	-61.5	-37.7	177.9	0	0	0	0	0	112.7	K329 I331 G337	K329-A333 WeakPolarHBondContact O-CB 3.46Å; K329-A333 PolarHBondContact O-N 3.39Å; I331-A333 VanDerWaalsContact C-N 3.33Å; I331-A333 PolarHBondContact O-N 2.96Å; A333-G337 PolarHBondContact O-N 3.18Å; A333-G337 VanDerWaalsContact O-N 3.08Å
334	F	98.8	Very high	98.4	Very high	34 Å²	34	47 Å²	47	15%	0.149	27%	0.266	C	S	.	.	H	α-helix	trans	-65.4	-45	173.1	178.9	-88.9	0	0	0	111.5	K299 L303 M310 A330 I331 K332 G337 N338 L340	K299-F334 HydrophobicContact CB-CD1 4.03Å; K299-F334 HydrophobicContact CB-CD2 4.42Å; K299-F334 HydrophobicContact CB-CE1 3.75Å; K299-F334 HydrophobicContact CB-CE2 4.16Å; K299-F334 HydrophobicContact CB-CG 4.36Å; K299-F334 HydrophobicContact CB-CZ 3.82Å; K299-F334 HydrophobicContact CD-CB 4.17Å; K299-F334 HydrophobicContact CD-CD1 4.22Å; K299-F334 HydrophobicContact CD-CD2 4.25Å; K299-F334 HydrophobicContact CD-CG 3.95Å; K299-F334 HydrophobicContact CG-CD1 4.23Å; K299-F334 HydrophobicContact CG-CE1 4.43Å; K299-F334 HydrophobicContact CG-CG 4.45Å; K299-F334 VanDerWaalsContact O-CE1 3.32Å; K299-F334 WeakPolarHBondContact O-CE1 3.4Å; K299-F334 WeakPolarHBondContact O-CZ 3.46Å; L303-F334 HydrophobicContact CB-CZ 4.34Å; L303-F334 HydrophobicContact CD2-CZ 4.06Å; M310-F334 HydrophobicContact CE-CD1 3.95Å; M310-F334 HydrophobicContact CE-CE1 4.02Å; A330-F334 PolarHBondContact O-N 3.22Å; I331-F334 WeakPolarHBondContact O-CB 3.41Å; I331-F334 PolarHBondContact O-N 2.98Å; I331-F334 VanDerWaalsContact O-N 3.1Å; K332-F334 VanDerWaalsContact C-N 3.3Å; K332-F334 PolarHBondContact O-N 3.37Å; F334-G337 PolarHBondContact O-N 3.33Å; F334-N338 PolarHBondContact O-N 2.86Å; F334-N338 PolarHBondContact O-ND2 2.95Å; F334-L340 HydrophobicContact CE1-CD1 4.08Å
335	C	98.7	Very high	98.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-47.1	177.4	-72.6	0	0	0	0	111.9	M310 I331 K332 G337 N338 N339 L340 F342	M310-C335 VanDerWaalsContact CE-SG 3.56Å; I331-C335 PolarHBondContact O-N 3.01Å; I331-C335 PolarHBondContact O-SG 2.92Å; K332-C335 WeakPolarHBondContact O-CB 3.21Å; K332-C335 PolarHBondContact O-N 3.17Å; K332-C335 VanDerWaalsContact O-N 3.16Å; C335-G337 VanDerWaalsContact C-N 3.33Å; C335-G337 PolarHBondContact O-N 3.35Å; C335-N338 CarbonylContact O-C 3.59Å; C335-N338 PolarHBondContact O-N 2.76Å; C335-N338 VanDerWaalsContact O-N 3.07Å; C335-N339 PolarHBondContact O-N 2.91Å; C335-L340 HydrophobicContact CB-CB 4Å; C335-L340 WeakPolarHBondContact CB-O 3.5Å; C335-L340 PolarHBondContact O-N 3.03Å; C335-F342 HydrophobicContact CB-CB 3.98Å
336	D	97.6	Very high	98.4	Very high	89 Å²	89	45.1 Å²	45.1	48%	0.476	26%	0.256	S	S	.	.	H	α-helix	trans	-61.8	-41.3	179.1	-69.2	-11.5	0	0	0	112	K332 N338	K332-D336 IonicContact NZ-OD1 2.94Å; K332-D336 PolarHBondContact NZ-OD1 3.34Å; K332-D336 IonicContact NZ-OD2 3.71Å; K332-D336 PolarHBondContact NZ-OD2 2.63Å; K332-D336 WeakPolarHBondContact O-CB 3.23Å; K332-D336 VanDerWaalsContact O-CG 3.24Å; K332-D336 PolarHBondContact O-N 3.01Å; D336-N338 PolarHBondContact O-N 3.02Å
337	G	98.4	Very high	98.5	Very high	65 Å²	65	37.2 Å²	37.2	67%	0.67	22%	0.219	S	C	*	.	H	α-helix	trans	-67.4	-18.2	176.9	0	0	0	0	0	114.4	A333 F334 C335	A333-G337 PolarHBondContact O-N 3.18Å; A333-G337 VanDerWaalsContact O-N 3.08Å; F334-G337 PolarHBondContact O-N 3.33Å; C335-G337 VanDerWaalsContact C-N 3.33Å; C335-G337 PolarHBondContact O-N 3.35Å
338	N	98.1	Very high	98.5	Very high	64 Å²	64	35.8 Å²	35.8	34%	0.342	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	11.8	-176.4	-66.4	-78.9	0	0	0	113.6	L303 F334 C335 D336 L340	L303-N338 HydrophobicContact CD1-CB 3.99Å; L303-N338 HydrophobicContact CD2-CB 4.32Å; L303-N338 WeakPolarHBondContact CD2-OD1 3.31Å; F334-N338 PolarHBondContact O-N 2.86Å; F334-N338 PolarHBondContact O-ND2 2.95Å; C335-N338 CarbonylContact O-C 3.59Å; C335-N338 PolarHBondContact O-N 2.76Å; C335-N338 VanDerWaalsContact O-N 3.07Å; D336-N338 PolarHBondContact O-N 3.02Å; N338-L340 VanDerWaalsContact C-N 3.28Å; N338-L340 HydrophobicContact CB-CD1 4.26Å; N338-L340 HydrophobicContact CB-CG 4.18Å; N338-L340 PolarHBondContact O-N 2.94Å
339	N	96	Very high	98.5	Very high	154 Å²	154	35.7 Å²	35.7	82%	0.824	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	41.6	-178.5	-169.2	66.9	0	0	0	113.3	C335	C335-N339 PolarHBondContact O-N 2.91Å
340	L	98	Very high	98.5	Very high	15 Å²	15	28.5 Å²	28.5	8%	0.079	18%	0.18	C	C	.	.			trans	-104.9	151	173.6	-59.2	176	0	0	0	110	L303 F307 D308 M310 F334 C335 N338	L303-L340 HydrophobicContact CD1-CD1 4.28Å; F307-L340 WeakPolarHBondContact O-CD2 3.37Å; D308-L340 WeakPolarHBondContact O-CA 3.4Å; M310-L340 HydrophobicContact CE-CD1 3.78Å; F334-L340 HydrophobicContact CE1-CD1 4.08Å; C335-L340 HydrophobicContact CB-CB 4Å; C335-L340 WeakPolarHBondContact CB-O 3.5Å; C335-L340 PolarHBondContact O-N 3.03Å; N338-L340 VanDerWaalsContact C-N 3.28Å; N338-L340 HydrophobicContact CB-CD1 4.26Å; N338-L340 HydrophobicContact CB-CG 4.18Å; N338-L340 PolarHBondContact O-N 2.94Å
341	L	97.9	Very high	98.5	Very high	21 Å²	21	27.3 Å²	27.3	11%	0.11	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	139.1	166.5	-66.9	169.3	0	0	0	110.4	F244 M288 I290 D308 G309 M310 I343 E385	F244-L341 HydrophobicContact CD1-CD1 4.45Å; F244-L341 HydrophobicContact CE1-CD1 3.95Å; F244-L341 HydrophobicContact CZ-CD1 4.08Å; F244-L341 HydrophobicContact CZ-CD2 4.15Å; M288-L341 HydrophobicContact CE-CD1 3.61Å; M288-L341 HydrophobicContact CE-CG 4.46Å; I290-L341 HydrophobicContact CD1-CD1 4.19Å; D308-L341 PolarHBondContact O-N 3.49Å; G309-L341 CarbonylContact C-O 3.43Å; G309-L341 WeakPolarHBondContact CA-O 3.28Å; M310-L341 PolarHBondContact N-O 2.87Å; L341-I343 HydrophobicContact CB-CG1 4.31Å; L341-E385 HydrophobicContact CD2-CB 4.21Å; L341-E385 HydrophobicContact CD2-CG 4.16Å
342	F	98.8	Very high	98.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118	164.1	-180	-126.3	0	0	0	109.9	M310 T312 W328 I331 K332 C335 P344 V382 P384	M310-F342 HydrophobicContact CG-CD2 4.13Å; T312-F342 HydrophobicContact CG2-CE2 3.78Å; T312-F342 HydrophobicContact CG2-CZ 4.11Å; W328-F342 HydrophobicContact CB-CE1 3.96Å; W328-F342 HydrophobicContact CB-CZ 4.08Å; W328-F342 AromaticContact CD1-CZ 3.76Å; W328-F342 HydrophobicContact CG-CE1 4.15Å; W328-F342 AromaticContact CG-CZ 3.87Å; W328-F342 HydrophobicContact CG-CZ 3.87Å; I331-F342 HydrophobicContact CB-CD2 4.34Å; I331-F342 HydrophobicContact CB-CE2 4.04Å; I331-F342 HydrophobicContact CB-CZ 4.23Å; I331-F342 HydrophobicContact CD1-CE2 4.46Å; I331-F342 HydrophobicContact CG2-CD2 3.43Å; I331-F342 VanDerWaalsContact CG2-CD2 3.43Å; I331-F342 HydrophobicContact CG2-CE2 3.41Å; I331-F342 VanDerWaalsContact CG2-CE2 3.41Å; I331-F342 HydrophobicContact CG2-CG 4.15Å; I331-F342 HydrophobicContact CG2-CZ 4.09Å; K332-F342 HydrophobicContact CB-CD1 3.87Å; K332-F342 HydrophobicContact CB-CG 4.5Å; K332-F342 HydrophobicContact CD-CB 3.79Å; K332-F342 HydrophobicContact CD-CD1 4.02Å; K332-F342 HydrophobicContact CD-CG 4.37Å; C335-F342 HydrophobicContact CB-CB 3.98Å; F342-P344 HydrophobicContact CE1-CB 3.93Å; F342-P344 HydrophobicContact CE1-CG 4.13Å; F342-P344 HydrophobicContact CZ-CB 3.9Å; F342-P344 WeakPolarHBondContact O-CD 3.5Å; F342-V382 HydrophobicContact CD1-CG2 4.33Å; F342-V382 HydrophobicContact CE1-CG2 3.99Å; F342-P384 WeakPolarHBondContact O-CB 3.42Å
343	I	98.8	Very high	98.4	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	86.4	-177.3	-51.5	-173.7	0	0	0	108.8	Y256 I290 M310 Y311 L341 I386 T388	Y256-I343 HydrophobicContact CE1-CD1 4.12Å; Y256-I343 HydrophobicContact CE1-CG2 4.32Å; I290-I343 HydrophobicContact CD1-CD1 4.07Å; I290-I343 HydrophobicContact CG1-CD1 4.01Å; I290-I343 HydrophobicContact CG2-CD1 4.03Å; I290-I343 HydrophobicContact CG2-CG1 4.48Å; M310-I343 PolarHBondContact O-N 3.46Å; Y311-I343 WeakPolarHBondContact CA-O 3.43Å; Y311-I343 VanDerWaalsContact CB-O 3.3Å; Y311-I343 WeakPolarHBondContact CB-O 3.09Å; L341-I343 HydrophobicContact CB-CG1 4.31Å; I343-I386 HydrophobicContact CD1-CB 4.13Å; I343-I386 HydrophobicContact CD1-CD1 3.9Å; I343-I386 HydrophobicContact CD1-CG2 4.34Å; I343-I386 HydrophobicContact CG1-CB 4.16Å; I343-I386 HydrophobicContact CG2-CB 4.01Å; I343-I386 HydrophobicContact CG2-CG2 3.72Å; I343-T388 HydrophobicContact CG2-CG2 3.49Å; I343-T388 VanDerWaalsContact CG2-CG2 3.49Å
344	P	98.9	Very high	98.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.152	C	C	.	.			trans	-63.4	142.3	177.8	26.7	-33.3	0	0	0	110.8	W328 F342 A379 P384 T388	W328-P344 HydrophobicContact CD2-CB 4.19Å; W328-P344 HydrophobicContact CE3-CB 4.2Å; W328-P344 HydrophobicContact CH2-CB 4.28Å; W328-P344 HydrophobicContact CZ2-CB 4.25Å; W328-P344 HydrophobicContact CZ3-CB 4.25Å; F342-P344 HydrophobicContact CE1-CB 3.93Å; F342-P344 HydrophobicContact CE1-CG 4.13Å; F342-P344 HydrophobicContact CZ-CB 3.9Å; F342-P344 WeakPolarHBondContact O-CD 3.5Å; P344-A379 HydrophobicContact CB-CB 4.16Å; P344-A379 HydrophobicContact CG-CB 3.86Å; P344-P384 HydrophobicContact CG-CB 3.93Å; P344-P384 HydrophobicContact CG-CG 3.8Å; P344-T388 PolarHBondContact O-N 2.85Å; P344-T388 PolarHBondContact O-OG1 2.79Å
345	S	98.9	Very high	98.3	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.014	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	128.1	175.2	-49.1	0	0	0	0	110.5	T312 Y313 T388	T312-S345 PolarHBondContact N-OG 2.83Å; T312-S345 WeakPolarHBondContact OG1-CB 3.46Å; T312-S345 PolarHBondContact OG1-N 3.5Å; Y313-S345 WeakPolarHBondContact CA-OG 3.39Å; Y313-S345 VanDerWaalsContact N-CB 3.26Å; Y313-S345 PolarHBondContact N-OG 3.41Å; Y313-S345 WeakPolarHBondContact O-CB 3.5Å; S345-T388 CarbonylContact C-O 3.51Å; S345-T388 VanDerWaalsContact CA-O 3.29Å; S345-T388 WeakPolarHBondContact CA-O 3.27Å; S345-T388 WeakPolarHBondContact CA-OG1 3.31Å; S345-T388 VanDerWaalsContact CB-OG1 3.27Å; S345-T388 WeakPolarHBondContact CB-OG1 3.13Å; S345-T388 PolarHBondContact OG-OG1 3.48Å
346	V	98.9	Very high	98.3	Very high	1 Å²	1	27 Å²	27	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	145.8	-178.4	-65.3	0	0	0	0	110.2	W328 Y372 A375 L376 A379 V387 T388 I389 T390	W328-V346 HydrophobicContact CH2-CG1 3.91Å; W328-V346 HydrophobicContact CZ3-CG1 4.33Å; V346-Y372 HydrophobicContact CB-CE2 4.3Å; V346-Y372 HydrophobicContact CG2-CE2 3.97Å; V346-A375 HydrophobicContact CB-CB 4.01Å; V346-A375 HydrophobicContact CG1-CB 3.96Å; V346-A375 WeakPolarHBondContact CG1-O 3.18Å; V346-L376 HydrophobicContact CB-CD2 4.49Å; V346-L376 HydrophobicContact CG2-CD2 3.7Å; V346-L376 HydrophobicContact CG2-CG 4.24Å; V346-A379 HydrophobicContact CG1-CB 3.75Å; V346-V387 HydrophobicContact CG1-CG2 4.44Å; V346-V387 HydrophobicContact CG2-CG2 4.06Å; V346-T388 WeakPolarHBondContact CG2-O 3.36Å; V346-T388 PolarHBondContact N-O 3.5Å; V346-I389 HydrophobicContact CG2-CG1 4.28Å; V346-I389 CarbonylContact O-C 3.55Å; V346-I389 WeakPolarHBondContact O-CA 3.27Å; V346-T390 PolarHBondContact O-N 2.97Å
347	G	98.8	Very high	98.2	Very high	1 Å²	1	24 Å²	24	1%	0.01	14%	0.141	C	C	.	.			trans	-140.9	157.4	177.1	0	0	0	0	0	113.3	G349 Y371 Y372 T390	G347-G349 VanDerWaalsContact C-N 3.26Å; G347-G349 PolarHBondContact O-N 2.84Å; G347-Y371 WeakPolarHBondContact O-CD1 3.47Å; G347-Y371 WeakPolarHBondContact O-CE1 3.49Å; G347-Y372 VanDerWaalsContact C-CD2 3.43Å; G347-Y372 WeakPolarHBondContact O-CD2 3.49Å; G347-T390 WeakPolarHBondContact CA-O 3.36Å
348	P	98.8	Very high	98.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-75.2	-15.8	-173.4	31.8	-37.3	0	0	0	114.1	R366 Y371 Y372 T390 T399 I401 Y425	P348-R366 WeakPolarHBondContact O-CA 3.31Å; P348-R366 WeakPolarHBondContact O-CB 3.21Å; P348-R366 WeakPolarHBondContact O-CG 3.06Å; P348-Y371 WeakPolarHBondContact O-CD1 3.28Å; P348-Y372 HydrophobicContact CB-CD1 4.35Å; P348-Y372 HydrophobicContact CB-CD2 4.34Å; P348-Y372 HydrophobicContact CB-CG 4.07Å; P348-T390 WeakPolarHBondContact CD-O 3.46Å; P348-T399 WeakPolarHBondContact CD-O 3.41Å; P348-T399 WeakPolarHBondContact CG-O 3.36Å; P348-I401 HydrophobicContact CB-CG2 4.37Å; P348-I401 HydrophobicContact CG-CG2 3.92Å; P348-Y425 HydrophobicContact CB-CD1 3.49Å; P348-Y425 VanDerWaalsContact CB-CD1 3.49Å; P348-Y425 HydrophobicContact CB-CE1 3.59Å; P348-Y425 HydrophobicContact CB-CG 4.31Å
349	G	98.8	Very high	98.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.103	C	C	.	.			trans	162	-170.8	-178	0	0	0	0	0	109	A315 G347 R364	A315-G349 WeakPolarHBondContact CB-O 3.43Å; G347-G349 VanDerWaalsContact C-N 3.26Å; G347-G349 PolarHBondContact O-N 2.84Å; G349-R364 VanDerWaalsContact CA-O 3.32Å; G349-R364 WeakPolarHBondContact CA-O 3.49Å
350	Y	98.9	Very high	98.1	Very high	19 Å²	19	17.8 Å²	17.8	8%	0.075	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-155	135.2	177.6	-177.2	-87.2	0	0	0	110	S316 D352 R356 N359 N362 T363 R364 E397 T399	S316-Y350 WeakPolarHBondContact OG-CB 3.39Å; S316-Y350 WeakPolarHBondContact OG-CD1 3.34Å; Y350-D352 HydrophobicContact CE1-CB 4.02Å; Y350-D352 WeakPolarHBondContact CE1-OD1 3.3Å; Y350-D352 PolarHBondContact OH-OD2 3.13Å; Y350-R356 PolarHBondContact OH-NH1 3.41Å; Y350-N359 PolarHBondContact OH-ND2 2.92Å; Y350-N362 HydrophobicContact CD1-CB 4.25Å; Y350-N362 WeakPolarHBondContact CD1-O 3.24Å; Y350-N362 HydrophobicContact CE1-CB 4.01Å; Y350-T363 CarbonylContact O-C 3.56Å; Y350-T363 VanDerWaalsContact O-CA 3.29Å; Y350-T363 WeakPolarHBondContact O-CA 3.42Å; Y350-R364 PolarHBondContact N-O 2.63Å; Y350-R364 PolarHBondContact O-N 3.47Å; Y350-E397 HydrophobicContact CD2-CB 4.18Å; Y350-E397 HydrophobicContact CE2-CB 3.74Å; Y350-E397 HydrophobicContact CE2-CG 4.22Å; Y350-T399 HydrophobicContact CD2-CG2 3.69Å; Y350-T399 HydrophobicContact CE2-CG2 4.44Å
351	I	98.8	Very high	98	Very high	25 Å²	25	23.2 Å²	23.2	13%	0.128	11%	0.114	C	C	.	.			trans	-164.4	103.3	170.8	-177.4	175	0	0	0	110.5	S143 F144 T363 E397 L415	S143-I351 PolarHBondContact OG-O 3.31Å; F144-I351 HydrophobicContact CD2-CG2 4.37Å; F144-I351 HydrophobicContact CE2-CG2 3.66Å; I351-T363 HydrophobicContact CB-CG2 4.15Å; I351-T363 HydrophobicContact CD1-CG2 4.38Å; I351-T363 HydrophobicContact CG1-CG2 4.23Å; I351-E397 CarbonylContact C-O 3.45Å; I351-E397 PolarHBondContact N-O 2.92Å; I351-E397 CarbonylContact O-C 3.56Å; I351-L415 HydrophobicContact CD1-CD1 3.73Å; I351-L415 HydrophobicContact CG2-CD1 4.12Å
352	D	98.5	Very high	98	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.112	C	C	.	.			trans	-106.7	10.5	-178.8	69.2	-17.5	0	0	0	113.8	Y350 S354 I355 R356 N359 H396 E397	Y350-D352 HydrophobicContact CE1-CB 4.02Å; Y350-D352 WeakPolarHBondContact CE1-OD1 3.3Å; Y350-D352 PolarHBondContact OH-OD2 3.13Å; D352-S354 PolarHBondContact O-N 3.13Å; D352-I355 HydrophobicContact CB-CG1 4.46Å; D352-I355 WeakPolarHBondContact O-CG1 3.46Å; D352-I355 PolarHBondContact O-N 3.44Å; D352-R356 PolarHBondContact O-N 3.22Å; D352-R356 VanDerWaalsContact OD2-CD 3.31Å; D352-R356 WeakPolarHBondContact OD2-CD 3.44Å; D352-R356 IonicContact OD2-CZ 3.94Å; D352-R356 IonicContact OD2-NE 3.9Å; D352-R356 IonicContact OD2-NH1 3.72Å; D352-R356 PolarHBondContact OD2-NH1 2.92Å; D352-N359 WeakPolarHBondContact OD1-CB 3.47Å; D352-N359 PolarHBondContact OD1-ND2 3.32Å; D352-N359 PolarHBondContact OD2-ND2 2.85Å; D352-H396 VanDerWaalsContact CA-O 3.29Å; D352-H396 WeakPolarHBondContact CA-O 3.4Å; D352-E397 HydrophobicContact CB-CB 4.42Å; D352-E397 HydrophobicContact CB-CG 4.35Å
353	T	98	Very high	97.9	Very high	39 Å²	39	23.8 Å²	23.8	24%	0.239	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-13.1	-172.9	53.2	0	0	0	0	114.3	P357 N360	T353-P357 WeakPolarHBondContact O-CA 3.38Å; T353-N360 HydrophobicContact CG2-CB 3.84Å
354	S	97.3	Very high	97.9	Very high	10 Å²	10	27 Å²	27	7%	0.07	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-43.4	168.6	68.3	0	0	0	0	112.1	H134 S142 D352	H134-S354 PolarHBondContact NE2-O 3.32Å; S142-S354 WeakPolarHBondContact CA-OG 3.22Å; S142-S354 PolarHBondContact N-OG 3.24Å; D352-S354 PolarHBondContact O-N 3.13Å
355	I	97.6	Very high	97.9	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-23.2	179.7	57.6	149.8	0	0	0	113.4	H115 L117 V118 A141 D352 H396	H115-I355 HydrophobicContact CB-CG2 3.81Å; L117-I355 CarbonylContact C-O 3.44Å; V118-I355 PolarHBondContact N-O 3.17Å; A141-I355 HydrophobicContact CB-CG2 3.73Å; D352-I355 HydrophobicContact CB-CG1 4.46Å; D352-I355 WeakPolarHBondContact O-CG1 3.46Å; D352-I355 PolarHBondContact O-N 3.44Å; I355-H396 HydrophobicContact CD1-CB 3.73Å; I355-H396 HydrophobicContact CG1-CB 4.23Å
356	R	97.8	Very high	97.9	Very high	60 Å²	60	33.3 Å²	33.3	23%	0.226	16%	0.163	C	C	.	.			trans	-126	74.1	177.2	-54.6	-171.3	-162.3	104	-3.2	110.4	V118 Y350 D352 W358 N359 E397	V118-R356 HydrophobicContact CB-CG 4.24Å; Y350-R356 PolarHBondContact OH-NH1 3.41Å; D352-R356 PolarHBondContact O-N 3.22Å; D352-R356 VanDerWaalsContact OD2-CD 3.31Å; D352-R356 WeakPolarHBondContact OD2-CD 3.44Å; D352-R356 IonicContact OD2-CZ 3.94Å; D352-R356 IonicContact OD2-NE 3.9Å; D352-R356 IonicContact OD2-NH1 3.72Å; D352-R356 PolarHBondContact OD2-NH1 2.92Å; R356-W358 HydrophobicContact CB-CD2 4.45Å; R356-W358 HydrophobicContact CB-CH2 4.45Å; R356-W358 HydrophobicContact CB-CZ2 4.02Å; R356-W358 HydrophobicContact CG-CZ2 4.08Å; R356-W358 PolarHBondContact O-N 3.44Å; R356-N359 HydrophobicContact CB-CB 3.83Å; R356-N359 WeakPolarHBondContact O-CB 3.27Å; R356-N359 PolarHBondContact O-N 3.37Å; R356-E397 IonicContact CZ-OE1 3.05Å; R356-E397 IonicContact NH1-OE1 3.19Å; R356-E397 PolarHBondContact NH1-OE1 2.94Å; R356-E397 IonicContact NH2-OE1 3.54Å; R356-E397 PolarHBondContact NH2-OE1 2.93Å
357	P	96.4	Very high	97.9	Very high	24 Å²	24	36.4 Å²	36.4	16%	0.156	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-56.1	-24.3	-174	-26.9	34.7	0	0	0	114.9	L117 Y129 P130 T353 N359	L117-P357 HydrophobicContact CD2-CG 3.94Å; Y129-P357 HydrophobicContact CD1-CB 3.54Å; Y129-P357 HydrophobicContact CE1-CB 4.21Å; Y129-P357 WeakPolarHBondContact CE1-O 3.34Å; Y129-P357 HydrophobicContact CG-CB 4.19Å; P130-P357 HydrophobicContact CG-CG 4.18Å; T353-P357 WeakPolarHBondContact O-CA 3.38Å; P357-N359 VanDerWaalsContact C-N 3.35Å
358	W	96.4	Very high	97.8	Very high	40 Å²	40	40.2 Å²	40.2	15%	0.152	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-80.4	-10	178.8	45.9	-93.6	0	0	0	114.5	V118 H120 W121 Y129 R356 N360	V118-W358 HydrophobicContact CG1-CZ2 4.48Å; V118-W358 PolarHBondContact O-NE1 2.82Å; H120-W358 HydrophobicContact CB-CB 4.44Å; H120-W358 HydrophobicContact CB-CD2 4.22Å; H120-W358 HydrophobicContact CB-CG 3.9Å; H120-W358 AromaticContact CD2-CD2 3.71Å; H120-W358 AromaticContact CD2-CE3 3.79Å; H120-W358 AromaticContact CD2-CG 3.82Å; W121-W358 HydrophobicContact CE3-CH2 4.33Å; W121-W358 HydrophobicContact CE3-CZ3 4.46Å; W121-W358 HydrophobicContact CH2-CZ3 4.26Å; W121-W358 HydrophobicContact CZ3-CE3 4.12Å; W121-W358 AromaticContact CZ3-CH2 3.77Å; W121-W358 HydrophobicContact CZ3-CH2 3.77Å; W121-W358 AromaticContact CZ3-CZ3 3.54Å; W121-W358 HydrophobicContact CZ3-CZ3 3.54Å; Y129-W358 HydrophobicContact CD1-CB 4.49Å; Y129-W358 HydrophobicContact CD2-CB 3.81Å; Y129-W358 HydrophobicContact CE1-CB 4.13Å; Y129-W358 HydrophobicContact CE2-CB 3.43Å; Y129-W358 VanDerWaalsContact CE2-CB 3.43Å; Y129-W358 HydrophobicContact CG-CB 4.33Å; Y129-W358 VanDerWaalsContact CZ-CA 3.44Å; R356-W358 HydrophobicContact CB-CD2 4.45Å; R356-W358 HydrophobicContact CB-CH2 4.45Å; R356-W358 HydrophobicContact CB-CZ2 4.02Å; R356-W358 HydrophobicContact CG-CZ2 4.08Å; R356-W358 PolarHBondContact O-N 3.44Å; W358-N360 PolarHBondContact O-N 3.39Å
359	N	97	Very high	97.8	Very high	11 Å²	11	40.2 Å²	40.2	6%	0.059	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-95.9	16	-169.6	-160.4	32	0	0	0	114.5	Y350 D352 R356 P357 H361 N362	Y350-N359 PolarHBondContact OH-ND2 2.92Å; D352-N359 WeakPolarHBondContact OD1-CB 3.47Å; D352-N359 PolarHBondContact OD1-ND2 3.32Å; D352-N359 PolarHBondContact OD2-ND2 2.85Å; R356-N359 HydrophobicContact CB-CB 3.83Å; R356-N359 WeakPolarHBondContact O-CB 3.27Å; R356-N359 PolarHBondContact O-N 3.37Å; P357-N359 VanDerWaalsContact C-N 3.35Å; N359-H361 PolarHBondContact O-N 3.02Å; N359-H361 PolarHBondContact OD1-CE1 3.47Å; N359-N362 PolarHBondContact O-N 3.36Å; N359-N362 PolarHBondContact OD1-ND2 3.48Å
360	N	95.9	Very high	97.8	Very high	102 Å²	102	47.9 Å²	47.9	55%	0.545	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-59.2	-22.1	-175.2	-173.1	51.8	0	0	0	114.8	T353 W358 N362 T363	T353-N360 HydrophobicContact CG2-CB 3.84Å; W358-N360 PolarHBondContact O-N 3.39Å; N360-N362 PolarHBondContact O-N 3.44Å; N360-T363 WeakPolarHBondContact O-CB 3.11Å; N360-T363 PolarHBondContact O-N 3.37Å; N360-T363 VanDerWaalsContact O-N 3.07Å; N360-T363 PolarHBondContact O-OG1 3.18Å; N360-T363 VanDerWaalsContact O-OG1 3.13Å; N360-T363 PolarHBondContact OD1-OG1 3.2Å
361	H	96.2	Very high	97.8	Very high	129 Å²	129	48.5 Å²	48.5	60%	0.597	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-63.6	-23.3	176.5	66.3	-81.4	0	0	0	113.1	N359 R364	N359-H361 PolarHBondContact O-N 3.02Å; N359-H361 PolarHBondContact OD1-CE1 3.47Å; H361-R364 PolarHBondContact O-NH1 2.95Å
362	N	97.5	Very high	97.8	Very high	11 Å²	11	47.3 Å²	47.3	6%	0.059	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-90	-5.1	175.2	-70.7	-41.3	0	0	0	113.7	S316 F319 Y350 N359 N360 R364	S316-N362 PolarHBondContact OG-O 3.32Å; F319-N362 WeakPolarHBondContact CD2-OD1 3.49Å; Y350-N362 HydrophobicContact CD1-CB 4.25Å; Y350-N362 WeakPolarHBondContact CD1-O 3.24Å; Y350-N362 HydrophobicContact CE1-CB 4.01Å; N359-N362 PolarHBondContact O-N 3.36Å; N359-N362 PolarHBondContact OD1-ND2 3.48Å; N360-N362 PolarHBondContact O-N 3.44Å; N362-R364 PolarHBondContact O-N 3.42Å; N362-R364 PolarHBondContact O-NH1 2.94Å
363	T	98.7	Very high	97.8	Very high	23 Å²	23	50.2 Å²	50.2	14%	0.141	24%	0.241	C	C	.	.			trans	-57.2	134.1	175.7	-62.2	0	0	0	0	110.9	Y350 I351 N360	Y350-T363 CarbonylContact O-C 3.56Å; Y350-T363 VanDerWaalsContact O-CA 3.29Å; Y350-T363 WeakPolarHBondContact O-CA 3.42Å; I351-T363 HydrophobicContact CB-CG2 4.15Å; I351-T363 HydrophobicContact CD1-CG2 4.38Å; I351-T363 HydrophobicContact CG1-CG2 4.23Å; N360-T363 WeakPolarHBondContact O-CB 3.11Å; N360-T363 PolarHBondContact O-N 3.37Å; N360-T363 VanDerWaalsContact O-N 3.07Å; N360-T363 PolarHBondContact O-OG1 3.18Å; N360-T363 VanDerWaalsContact O-OG1 3.13Å; N360-T363 PolarHBondContact OD1-OG1 3.2Å
364	R	98.7	Very high	97.9	Very high	67 Å²	67	52.6 Å²	52.6	25%	0.253	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-131.2	108.2	173.8	-62.5	-64.5	179.3	-88	-3.4	108.4	N317 G349 Y350 H361 N362 Y371	N317-R364 PolarHBondContact O-NE 3.07Å; N317-R364 VanDerWaalsContact O-NE 3.14Å; N317-R364 PolarHBondContact O-NH2 2.97Å; G349-R364 VanDerWaalsContact CA-O 3.32Å; G349-R364 WeakPolarHBondContact CA-O 3.49Å; Y350-R364 PolarHBondContact N-O 2.63Å; Y350-R364 PolarHBondContact O-N 3.47Å; H361-R364 PolarHBondContact O-NH1 2.95Å; N362-R364 PolarHBondContact O-N 3.42Å; N362-R364 PolarHBondContact O-NH1 2.94Å; R364-Y371 HydrophobicContact CB-CD2 4.18Å; R364-Y371 HydrophobicContact CB-CE1 4.24Å; R364-Y371 HydrophobicContact CB-CE2 3.64Å; R364-Y371 HydrophobicContact CG-CE2 3.83Å
365	N	98.5	Very high	97.9	Very high	117 Å²	117	52.1 Å²	52.1	63%	0.626	25%	0.252	S	S	*	.			trans	-61.2	141.2	176.9	-67.3	-17.3	0	0	0	109.9	V367 Y371	N365-V367 HydrophobicContact CB-CG2 4.12Å; N365-V367 WeakPolarHBondContact O-CG2 3.21Å; N365-V367 PolarHBondContact O-N 3Å; N365-Y371 WeakPolarHBondContact O-CB 3.25Å
366	R	98.8	Very high	98	Very high	18 Å²	18	52.7 Å²	52.7	7%	0.068	26%	0.255	C	S	.	.			trans	-70.7	-20	-179.4	-50.4	-165.3	173.1	-157.1	-6.2	113.6	F144 P348 N368 G369 R370 Y371 G398 Q400 Y417 Y425	F144-R366 HydrophobicContact CZ-CG 4.46Å; P348-R366 WeakPolarHBondContact O-CA 3.31Å; P348-R366 WeakPolarHBondContact O-CB 3.21Å; P348-R366 WeakPolarHBondContact O-CG 3.06Å; R366-N368 VanDerWaalsContact C-N 3.26Å; R366-N368 PolarHBondContact O-N 2.8Å; R366-G369 CarbonylContact O-C 3.13Å; R366-G369 PolarHBondContact O-N 2.9Å; R366-R370 PolarHBondContact O-N 3.14Å; R366-Y371 PolarHBondContact O-N 3.24Å; R366-G398 PolarHBondContact NH2-O 2.83Å; R366-Q400 VanDerWaalsContact CZ-O 3.25Å; R366-Q400 PolarHBondContact NH1-O 3.45Å; R366-Q400 VanDerWaalsContact NH2-CD 3.26Å; R366-Q400 PolarHBondContact NH2-O 3.36Å; R366-Y417 PolarHBondContact NH1-OH 2.96Å; R366-Y417 VanDerWaalsContact NH1-OH 3.16Å; R366-Y425 HydrophobicContact CB-CE1 4.41Å; R366-Y425 WeakPolarHBondContact CB-OH 3.43Å; R366-Y425 WeakPolarHBondContact CD-OH 3.49Å; R366-Y425 VanDerWaalsContact NH1-CD2 3.34Å; R366-Y425 VanDerWaalsContact NH1-CE2 3.32Å
367	V	98.3	Very high	98	Very high	67 Å²	67	53.5 Å²	53.5	41%	0.406	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	46.3	48.3	-179.8	-160.4	0	0	0	0	112	N365 G369 R370	N365-V367 HydrophobicContact CB-CG2 4.12Å; N365-V367 WeakPolarHBondContact O-CG2 3.21Å; N365-V367 PolarHBondContact O-N 3Å; V367-G369 PolarHBondContact O-N 2.95Å; V367-R370 HydrophobicContact CB-CB 4.28Å; V367-R370 HydrophobicContact CG1-CB 4.43Å; V367-R370 WeakPolarHBondContact O-CB 3.39Å; V367-R370 PolarHBondContact O-N 3.41Å
368	N	97.8	Very high	98.1	Very high	81 Å²	81	53.3 Å²	53.3	43%	0.433	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	54.8	29.8	-177.3	-56.2	-9.8	0	0	0	114.2	R366 H424	R366-N368 VanDerWaalsContact C-N 3.26Å; R366-N368 PolarHBondContact O-N 2.8Å; N368-H424 PolarHBondContact O-NE2 2.86Å
369	G	98.4	Very high	98.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	106.4	-19.1	179.2	0	0	0	0	0	114.3	R366 V367 Y371 Y372 E373	R366-G369 CarbonylContact O-C 3.13Å; R366-G369 PolarHBondContact O-N 2.9Å; V367-G369 PolarHBondContact O-N 2.95Å; G369-Y371 VanDerWaalsContact C-N 3.26Å; G369-Y371 PolarHBondContact O-N 2.83Å; G369-Y372 WeakPolarHBondContact O-CA 3.49Å; G369-Y372 VanDerWaalsContact O-CB 3.32Å; G369-Y372 WeakPolarHBondContact O-CB 3.29Å; G369-Y372 PolarHBondContact O-N 3.39Å; G369-E373 PolarHBondContact O-N 3.27Å
370	R	98.8	Very high	98.3	Very high	160 Å²	160	51.1 Å²	51.1	60%	0.604	25%	0.253	S	S	*	.	H	α-helix	trans	-60.7	-33.4	-176.9	-73	-174	-82	179.5	-8.6	113.8	R366 V367 Y372 T374	R366-R370 PolarHBondContact O-N 3.14Å; V367-R370 HydrophobicContact CB-CB 4.28Å; V367-R370 HydrophobicContact CG1-CB 4.43Å; V367-R370 WeakPolarHBondContact O-CB 3.39Å; V367-R370 PolarHBondContact O-N 3.41Å; R370-Y372 VanDerWaalsContact C-N 3.33Å; R370-T374 WeakPolarHBondContact O-CB 3.42Å; R370-T374 PolarHBondContact O-N 3.16Å; R370-T374 PolarHBondContact O-OG1 3.34Å
371	Y	98.8	Very high	98.4	Very high	33 Å²	33	51.4 Å²	51.4	13%	0.129	26%	0.255	C	S	.	.	H	α-helix	trans	-61.9	-45	174.1	-179.4	-90.2	0	0	0	110.8	A315 N317 G347 P348 R364 N365 R366 G369 T374 A375	A315-Y371 WeakPolarHBondContact O-CE1 3.39Å; A315-Y371 PolarHBondContact O-OH 2.63Å; N317-Y371 WeakPolarHBondContact CB-OH 3.37Å; N317-Y371 PolarHBondContact N-OH 2.87Å; G347-Y371 WeakPolarHBondContact O-CD1 3.47Å; G347-Y371 WeakPolarHBondContact O-CE1 3.49Å; P348-Y371 WeakPolarHBondContact O-CD1 3.28Å; R364-Y371 HydrophobicContact CB-CD2 4.18Å; R364-Y371 HydrophobicContact CB-CE1 4.24Å; R364-Y371 HydrophobicContact CB-CE2 3.64Å; R364-Y371 HydrophobicContact CG-CE2 3.83Å; N365-Y371 WeakPolarHBondContact O-CB 3.25Å; R366-Y371 PolarHBondContact O-N 3.24Å; G369-Y371 VanDerWaalsContact C-N 3.26Å; G369-Y371 PolarHBondContact O-N 2.83Å; Y371-T374 PolarHBondContact O-N 3.42Å; Y371-A375 PolarHBondContact O-N 3Å; Y371-A375 VanDerWaalsContact O-N 3.14Å
372	Y	98.9	Very high	98.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.4	-48.4	179.6	-163.5	-152.9	0	0	0	112	V346 G347 P348 G369 R370 T374 A375 L376 I389 I401 Y425 L428 T429	V346-Y372 HydrophobicContact CB-CE2 4.3Å; V346-Y372 HydrophobicContact CG2-CE2 3.97Å; G347-Y372 VanDerWaalsContact C-CD2 3.43Å; G347-Y372 WeakPolarHBondContact O-CD2 3.49Å; P348-Y372 HydrophobicContact CB-CD1 4.35Å; P348-Y372 HydrophobicContact CB-CD2 4.34Å; P348-Y372 HydrophobicContact CB-CG 4.07Å; G369-Y372 WeakPolarHBondContact O-CA 3.49Å; G369-Y372 VanDerWaalsContact O-CB 3.32Å; G369-Y372 WeakPolarHBondContact O-CB 3.29Å; G369-Y372 PolarHBondContact O-N 3.39Å; R370-Y372 VanDerWaalsContact C-N 3.33Å; Y372-T374 VanDerWaalsContact C-N 3.25Å; Y372-T374 PolarHBondContact O-N 2.96Å; Y372-A375 WeakPolarHBondContact O-CB 3.45Å; Y372-A375 PolarHBondContact O-N 3.47Å; Y372-L376 HydrophobicContact CD1-CD1 3.75Å; Y372-L376 HydrophobicContact CD2-CD1 3.78Å; Y372-L376 HydrophobicContact CD2-CG 4.09Å; Y372-L376 HydrophobicContact CE1-CD1 3.72Å; Y372-L376 HydrophobicContact CE2-CD1 3.76Å; Y372-L376 HydrophobicContact CE2-CD2 4.27Å; Y372-L376 HydrophobicContact CE2-CG 3.96Å; Y372-L376 HydrophobicContact CG-CD1 3.78Å; Y372-L376 WeakPolarHBondContact O-CG 3.06Å; Y372-L376 PolarHBondContact O-N 3.2Å; Y372-I389 WeakPolarHBondContact OH-CG2 3.45Å; Y372-I401 HydrophobicContact CE1-CG2 4.45Å; Y372-Y425 HydrophobicContact CD1-CD1 4.09Å; Y372-L428 HydrophobicContact CD1-CB 4.18Å; Y372-L428 HydrophobicContact CE1-CB 4.38Å; Y372-T429 WeakPolarHBondContact CE1-OG1 3.41Å; Y372-T429 PolarHBondContact OH-OG1 3.5Å
373	E	98.8	Very high	98.4	Very high	61 Å²	61	52.9 Å²	52.9	29%	0.285	26%	0.256	S	S	.	.	H	α-helix	trans	-60.2	-36.7	178.3	-64.5	-173.8	113.8	0	0	111.8	G369 L376 Q377 L428 W432	G369-E373 PolarHBondContact O-N 3.27Å; E373-L376 PolarHBondContact O-N 3.48Å; E373-Q377 WeakPolarHBondContact O-CB 3.39Å; E373-Q377 PolarHBondContact O-N 2.88Å; E373-L428 HydrophobicContact CG-CD2 3.67Å; E373-W432 HydrophobicContact CB-CZ2 3.98Å; E373-W432 HydrophobicContact CG-CZ2 4.42Å
374	T	98.8	Very high	98.3	Very high	88 Å²	88	51.9 Å²	51.9	54%	0.54	25%	0.25	S	S	.	.	H	α-helix	trans	-64.1	-41.5	174.9	-58	0	0	0	0	111.6	R370 Y371 Y372 A378	R370-T374 WeakPolarHBondContact O-CB 3.42Å; R370-T374 PolarHBondContact O-N 3.16Å; R370-T374 PolarHBondContact O-OG1 3.34Å; Y371-T374 PolarHBondContact O-N 3.42Å; Y372-T374 VanDerWaalsContact C-N 3.25Å; Y372-T374 PolarHBondContact O-N 2.96Å; T374-A378 WeakPolarHBondContact O-CB 3.41Å; T374-A378 PolarHBondContact O-N 3.07Å; T374-A378 VanDerWaalsContact O-N 3.09Å
375	A	98.7	Very high	98.2	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-67.3	-45.2	176.5	0	0	0	0	0	111.6	H325 V346 Y371 Y372 Q377 A378 A379	H325-A375 VanDerWaalsContact CE1-CA 3.47Å; H325-A375 WeakPolarHBondContact CE1-CA 3.24Å; V346-A375 HydrophobicContact CB-CB 4.01Å; V346-A375 HydrophobicContact CG1-CB 3.96Å; V346-A375 WeakPolarHBondContact CG1-O 3.18Å; Y371-A375 PolarHBondContact O-N 3Å; Y371-A375 VanDerWaalsContact O-N 3.14Å; Y372-A375 WeakPolarHBondContact O-CB 3.45Å; Y372-A375 PolarHBondContact O-N 3.47Å; A375-Q377 PolarHBondContact O-N 3.36Å; A375-A378 PolarHBondContact O-N 3Å; A375-A379 PolarHBondContact O-N 3.31Å
376	L	98.6	Very high	98.2	Very high	14 Å²	14	46.2 Å²	46.2	7%	0.073	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-44.3	177.2	-72.7	157.7	0	0	0	111.8	V346 Y372 E373 A378 A379 L380 W432	V346-L376 HydrophobicContact CB-CD2 4.49Å; V346-L376 HydrophobicContact CG2-CD2 3.7Å; V346-L376 HydrophobicContact CG2-CG 4.24Å; Y372-L376 HydrophobicContact CD1-CD1 3.75Å; Y372-L376 HydrophobicContact CD2-CD1 3.78Å; Y372-L376 HydrophobicContact CD2-CG 4.09Å; Y372-L376 HydrophobicContact CE1-CD1 3.72Å; Y372-L376 HydrophobicContact CE2-CD1 3.76Å; Y372-L376 HydrophobicContact CE2-CD2 4.27Å; Y372-L376 HydrophobicContact CE2-CG 3.96Å; Y372-L376 HydrophobicContact CG-CD1 3.78Å; Y372-L376 WeakPolarHBondContact O-CG 3.06Å; Y372-L376 PolarHBondContact O-N 3.2Å; E373-L376 PolarHBondContact O-N 3.48Å; L376-A378 VanDerWaalsContact C-N 3.34Å; L376-A378 PolarHBondContact O-N 3Å; L376-A379 PolarHBondContact O-N 3.25Å; L376-L380 WeakPolarHBondContact O-CB 3.48Å; L376-L380 PolarHBondContact O-N 3Å; L376-W432 HydrophobicContact CB-CB 4.37Å; L376-W432 HydrophobicContact CB-CD2 3.49Å; L376-W432 VanDerWaalsContact CB-CD2 3.49Å; L376-W432 HydrophobicContact CB-CE3 3.58Å; L376-W432 HydrophobicContact CB-CG 3.87Å; L376-W432 HydrophobicContact CB-CH2 4.46Å; L376-W432 HydrophobicContact CB-CZ2 4.38Å; L376-W432 HydrophobicContact CB-CZ3 4.08Å; L376-W432 HydrophobicContact CD1-CB 3.87Å; L376-W432 HydrophobicContact CD1-CD2 4.04Å; L376-W432 HydrophobicContact CD1-CG 3.53Å; L376-W432 HydrophobicContact CD2-CB 3.98Å; L376-W432 HydrophobicContact CD2-CG 4.33Å; L376-W432 HydrophobicContact CG-CB 4.31Å; L376-W432 HydrophobicContact CG-CD2 4.27Å; L376-W432 HydrophobicContact CG-CG 4.12Å
377	Q	98.6	Very high	98.1	Very high	77 Å²	77	45.8 Å²	45.8	36%	0.36	22%	0.223	S	C	.	.	H	α-helix	trans	-61.1	-42.4	174.1	-172.8	61.8	73.8	0	0	112	E373 A375 A379 L380 N381 W432	E373-Q377 WeakPolarHBondContact O-CB 3.39Å; E373-Q377 PolarHBondContact O-N 2.88Å; A375-Q377 PolarHBondContact O-N 3.36Å; Q377-A379 VanDerWaalsContact C-N 3.31Å; Q377-A379 PolarHBondContact O-N 3.14Å; Q377-L380 PolarHBondContact O-N 3.05Å; Q377-N381 PolarHBondContact NE2-OD1 2.94Å; Q377-N381 WeakPolarHBondContact O-CB 3.34Å; Q377-N381 PolarHBondContact O-N 3.19Å; Q377-N381 PolarHBondContact O-ND2 3.04Å; Q377-N381 PolarHBondContact O-OD1 2.89Å; Q377-W432 HydrophobicContact CB-CH2 3.57Å; Q377-W432 HydrophobicContact CB-CZ2 4.47Å; Q377-W432 HydrophobicContact CB-CZ3 4.05Å; Q377-W432 HydrophobicContact CG-CH2 4.27Å
378	A	98.7	Very high	98.2	Very high	19 Å²	19	42.6 Å²	42.6	16%	0.157	20%	0.203	C	C	.	.	H	α-helix	trans	-63.9	-38.2	178.5	0	0	0	0	0	111.9	H325 W328 T374 A375 L376	H325-A378 HydrophobicContact CB-CB 3.95Å; W328-A378 HydrophobicContact CE3-CB 3.9Å; W328-A378 HydrophobicContact CZ3-CB 3.69Å; T374-A378 WeakPolarHBondContact O-CB 3.41Å; T374-A378 PolarHBondContact O-N 3.07Å; T374-A378 VanDerWaalsContact O-N 3.09Å; A375-A378 PolarHBondContact O-N 3Å; L376-A378 VanDerWaalsContact C-N 3.34Å; L376-A378 PolarHBondContact O-N 3Å
379	A	98.5	Very high	98.2	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.017	18%	0.183	C	C	.	.	H	α-helix	trans	-67.6	-44.7	175.9	0	0	0	0	0	110.7	W328 P344 V346 A375 L376 Q377 N381 V382 P384 V387	W328-A379 HydrophobicContact CE3-CB 4.41Å; W328-A379 HydrophobicContact CZ3-CB 3.81Å; P344-A379 HydrophobicContact CB-CB 4.16Å; P344-A379 HydrophobicContact CG-CB 3.86Å; V346-A379 HydrophobicContact CG1-CB 3.75Å; A375-A379 PolarHBondContact O-N 3.31Å; L376-A379 PolarHBondContact O-N 3.25Å; Q377-A379 VanDerWaalsContact C-N 3.31Å; Q377-A379 PolarHBondContact O-N 3.14Å; A379-N381 VanDerWaalsContact C-N 3.3Å; A379-N381 PolarHBondContact O-N 3.48Å; A379-V382 WeakPolarHBondContact O-CG2 3.5Å; A379-V382 PolarHBondContact O-N 3.36Å; A379-P384 WeakPolarHBondContact O-CD 3.43Å; A379-V387 HydrophobicContact CB-CG2 4.15Å
380	L	97.8	Very high	98.3	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-58.1	-41.7	177.1	-171.6	64.7	0	0	0	112.3	L376 Q377 V382 R383 W432 Q435 F436 E439 W443	L376-L380 WeakPolarHBondContact O-CB 3.48Å; L376-L380 PolarHBondContact O-N 3Å; Q377-L380 PolarHBondContact O-N 3.05Å; L380-V382 PolarHBondContact O-N 2.86Å; L380-V382 VanDerWaalsContact O-N 3.16Å; L380-R383 PolarHBondContact O-N 2.87Å; L380-W432 HydrophobicContact CD2-CE3 4.29Å; L380-W432 HydrophobicContact CD2-CZ3 3.77Å; L380-Q435 HydrophobicContact CD2-CG 3.98Å; L380-F436 HydrophobicContact CD1-CB 4.19Å; L380-F436 HydrophobicContact CD1-CD2 3.78Å; L380-F436 HydrophobicContact CD1-CG 4.49Å; L380-E439 HydrophobicContact CD1-CB 4.11Å; L380-E439 HydrophobicContact CD1-CG 4.32Å; L380-E439 WeakPolarHBondContact CD1-OE2 3.43Å; L380-E439 VanDerWaalsContact CD2-OE1 3.32Å; L380-E439 WeakPolarHBondContact CD2-OE1 3.45Å; L380-E439 VanDerWaalsContact CG-OE2 3.26Å; L380-E439 WeakPolarHBondContact CG-OE2 3.34Å; L380-W443 HydrophobicContact CD1-CH2 3.77Å; L380-W443 HydrophobicContact CD1-CZ2 3.9Å; L380-W443 HydrophobicContact CG-CZ2 4.47Å
381	N	97.8	Very high	98.3	Very high	107 Å²	107	31.2 Å²	31.2	57%	0.572	15%	0.154	S	C	*	.	H	α-helix	trans	-62.4	-23.7	-178.1	-72.1	-16.9	0	0	0	114.7	Q377 A379	Q377-N381 PolarHBondContact NE2-OD1 2.94Å; Q377-N381 WeakPolarHBondContact O-CB 3.34Å; Q377-N381 PolarHBondContact O-N 3.19Å; Q377-N381 PolarHBondContact O-ND2 3.04Å; Q377-N381 PolarHBondContact O-OD1 2.89Å; A379-N381 VanDerWaalsContact C-N 3.3Å; A379-N381 PolarHBondContact O-N 3.48Å
382	V	97.9	Very high	98.3	Very high	20 Å²	20	29.6 Å²	29.6	12%	0.121	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	4.7	177.7	-61.8	0	0	0	0	112.9	W328 K329 K332 F342 A379 L380	W328-V382 HydrophobicContact CB-CG1 3.92Å; W328-V382 HydrophobicContact CB-CG2 4.39Å; K329-V382 HydrophobicContact CB-CG1 4.35Å; K332-V382 HydrophobicContact CB-CB 4.28Å; K332-V382 WeakPolarHBondContact CE-O 2.99Å; K332-V382 HydrophobicContact CG-CB 4.48Å; K332-V382 WeakPolarHBondContact CG-O 3.46Å; F342-V382 HydrophobicContact CD1-CG2 4.33Å; F342-V382 HydrophobicContact CE1-CG2 3.99Å; A379-V382 WeakPolarHBondContact O-CG2 3.5Å; A379-V382 PolarHBondContact O-N 3.36Å; L380-V382 PolarHBondContact O-N 2.86Å; L380-V382 VanDerWaalsContact O-N 3.16Å
383	R	97.4	Very high	98.3	Very high	151 Å²	151	29.6 Å²	29.6	57%	0.57	15%	0.148	S	C	*	.			trans	50.2	55.2	173.2	-52.5	-173.7	179.2	179.7	-3.1	114.1	K332 L380 W443	K332-R383 VanDerWaalsContact CE-O 3.31Å; K332-R383 WeakPolarHBondContact CE-O 3.49Å; L380-R383 PolarHBondContact O-N 2.87Å; R383-W443 VanDerWaalsContact CA-CZ3 3.47Å; R383-W443 HydrophobicContact CB-CD2 3.96Å; R383-W443 HydrophobicContact CB-CE3 3.71Å; R383-W443 HydrophobicContact CB-CH2 3.99Å; R383-W443 HydrophobicContact CB-CZ2 4.21Å; R383-W443 HydrophobicContact CB-CZ3 3.75Å; R383-W443 HydrophobicContact CG-CD2 3.84Å; R383-W443 HydrophobicContact CG-CE3 4.1Å; R383-W443 HydrophobicContact CG-CG 4.46Å; R383-W443 HydrophobicContact CG-CH2 4.05Å; R383-W443 HydrophobicContact CG-CZ2 3.76Å; R383-W443 HydrophobicContact CG-CZ3 4.22Å
384	P	96.8	Very high	98.3	Very high	2 Å²	2	27 Å²	27	1%	0.013	14%	0.135	C	C	.	.			trans	-75.3	157.4	-179.8	35.4	-37.1	0	0	0	110.7	F342 P344 A379 I386 F436	F342-P384 WeakPolarHBondContact O-CB 3.42Å; P344-P384 HydrophobicContact CG-CB 3.93Å; P344-P384 HydrophobicContact CG-CG 3.8Å; A379-P384 WeakPolarHBondContact O-CD 3.43Å; P384-I386 WeakPolarHBondContact CB-O 3.47Å; P384-F436 HydrophobicContact CG-CE2 3.98Å; P384-F436 HydrophobicContact CG-CZ 4.49Å; P384-F436 WeakPolarHBondContact O-CE2 3.47Å; P384-F436 WeakPolarHBondContact O-CZ 3.39Å
385	E	95.3	Very high	98.3	Very high	65 Å²	65	22.8 Å²	22.8	30%	0.304	11%	0.11	S	C	.	.	S	Bend	trans	-74.2	-36.2	172.6	-67.3	72	-162.5	0	0	111.4	K332 L341 K440	K332-E385 IonicContact NZ-OE1 3.62Å; L341-E385 HydrophobicContact CD2-CB 4.21Å; L341-E385 HydrophobicContact CD2-CG 4.16Å; E385-K440 PolarHBondContact O-NZ 3.46Å
386	I	97.9	Very high	98.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.			trans	-131.4	141.9	179.5	-61.3	167.4	0	0	0	108.3	D92 H94 F244 L254 I343 P384	D92-I386 VanDerWaalsContact O-CA 3.32Å; D92-I386 WeakPolarHBondContact O-CA 3.35Å; D92-I386 WeakPolarHBondContact O-CG2 3.38Å; H94-I386 HydrophobicContact CB-CG2 4.3Å; F244-I386 HydrophobicContact CD2-CD1 3.73Å; F244-I386 HydrophobicContact CE2-CD1 3.76Å; F244-I386 HydrophobicContact CE2-CG1 4.28Å; L254-I386 HydrophobicContact CD1-CD1 4.1Å; I343-I386 HydrophobicContact CD1-CB 4.13Å; I343-I386 HydrophobicContact CD1-CD1 3.9Å; I343-I386 HydrophobicContact CD1-CG2 4.34Å; I343-I386 HydrophobicContact CG1-CB 4.16Å; I343-I386 HydrophobicContact CG2-CB 4.01Å; I343-I386 HydrophobicContact CG2-CG2 3.72Å; P384-I386 WeakPolarHBondContact CB-O 3.47Å
387	V	98.6	Very high	98.3	Very high	10 Å²	10	23.1 Å²	23.1	6%	0.061	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	141.4	166	63.8	0	0	0	0	109.7	D92 V93 H94 V346 A379 F436	D92-V387 PolarHBondContact O-N 3.28Å; V93-V387 HydrophobicContact CB-CG1 4.39Å; V93-V387 HydrophobicContact CG1-CG1 4.27Å; V93-V387 HydrophobicContact CG2-CG1 3.95Å; H94-V387 PolarHBondContact N-O 2.87Å; V346-V387 HydrophobicContact CG1-CG2 4.44Å; V346-V387 HydrophobicContact CG2-CG2 4.06Å; A379-V387 HydrophobicContact CB-CG2 4.15Å; V387-F436 HydrophobicContact CG1-CD1 4.4Å; V387-F436 HydrophobicContact CG1-CE1 4.4Å
388	T	98.9	Very high	98.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	142.4	175.6	46.2	0	0	0	0	111	H94 F96 Y256 I343 P344 S345 V346	H94-T388 HydrophobicContact CB-CG2 3.68Å; H94-T388 CarbonylContact O-C 3.43Å; H94-T388 VanDerWaalsContact O-CA 3.29Å; H94-T388 WeakPolarHBondContact O-CA 3.3Å; F96-T388 HydrophobicContact CE2-CG2 4.26Å; F96-T388 HydrophobicContact CZ-CG2 4.1Å; Y256-T388 HydrophobicContact CE1-CG2 3.93Å; Y256-T388 WeakPolarHBondContact OH-CG2 3.41Å; I343-T388 HydrophobicContact CG2-CG2 3.49Å; I343-T388 VanDerWaalsContact CG2-CG2 3.49Å; P344-T388 PolarHBondContact O-N 2.85Å; P344-T388 PolarHBondContact O-OG1 2.79Å; S345-T388 CarbonylContact C-O 3.51Å; S345-T388 VanDerWaalsContact CA-O 3.29Å; S345-T388 WeakPolarHBondContact CA-O 3.27Å; S345-T388 WeakPolarHBondContact CA-OG1 3.31Å; S345-T388 VanDerWaalsContact CB-OG1 3.27Å; S345-T388 WeakPolarHBondContact CB-OG1 3.13Å; S345-T388 PolarHBondContact OG-OG1 3.48Å; V346-T388 WeakPolarHBondContact CG2-O 3.36Å; V346-T388 PolarHBondContact N-O 3.5Å
389	I	98.9	Very high	98.3	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122	176.2	-58.7	159.7	0	0	0	108.4	V93 H94 I95 F96 A171 V346 Y372 S391 I401 T429	V93-I389 HydrophobicContact CG1-CD1 3.69Å; V93-I389 HydrophobicContact CG1-CG1 4.44Å; H94-I389 PolarHBondContact O-N 3.31Å; I95-I389 HydrophobicContact CB-CB 4.15Å; I95-I389 HydrophobicContact CB-CD1 4.43Å; I95-I389 HydrophobicContact CD1-CB 4.25Å; I95-I389 HydrophobicContact CD1-CD1 4.39Å; I95-I389 HydrophobicContact CD1-CG2 4.07Å; I95-I389 HydrophobicContact CG1-CB 3.89Å; I95-I389 HydrophobicContact CG1-CG2 4.09Å; F96-I389 WeakPolarHBondContact CD2-O 3.33Å; F96-I389 PolarHBondContact N-O 2.88Å; A171-I389 HydrophobicContact CB-CD1 4.41Å; V346-I389 HydrophobicContact CG2-CG1 4.28Å; V346-I389 CarbonylContact O-C 3.55Å; V346-I389 WeakPolarHBondContact O-CA 3.27Å; Y372-I389 WeakPolarHBondContact OH-CG2 3.45Å; I389-S391 WeakPolarHBondContact O-CA 3.05Å; I389-I401 HydrophobicContact CG2-CD1 4.35Å; I389-I401 HydrophobicContact CG2-CG2 4.29Å; I389-T429 HydrophobicContact CD1-CG2 3.29Å
390	T	98.9	Very high	98.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.086	C	C	.	.	S	Bend	trans	-107	95	171.9	-52.9	0	0	0	0	107.5	F96 Y313 A315 V346 G347 P348 T399	F96-T390 VanDerWaalsContact CD2-OG1 3.32Å; F96-T390 WeakPolarHBondContact CD2-OG1 3.27Å; F96-T390 WeakPolarHBondContact CE2-OG1 3.39Å; Y313-T390 HydrophobicContact CD2-CG2 4.47Å; Y313-T390 HydrophobicContact CE2-CG2 4.26Å; Y313-T390 WeakPolarHBondContact O-CB 3.26Å; Y313-T390 VanDerWaalsContact O-CG2 3.31Å; Y313-T390 WeakPolarHBondContact O-CG2 3.43Å; Y313-T390 PolarHBondContact O-OG1 3.24Å; A315-T390 HydrophobicContact CB-CG2 4.4Å; V346-T390 PolarHBondContact O-N 2.97Å; G347-T390 WeakPolarHBondContact CA-O 3.36Å; P348-T390 WeakPolarHBondContact CD-O 3.46Å; T390-T399 CarbonylContact C-O 3.43Å
391	S	98.9	Very high	98.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.085	C	C	.	.			cis	-151.3	176	8	61	0	0	0	0	111.2	I389 E394 T399 Q400 I401	I389-S391 WeakPolarHBondContact O-CA 3.05Å; S391-E394 WeakPolarHBondContact OG-CB 3.38Å; S391-E394 PolarHBondContact OG-N 2.87Å; S391-T399 PolarHBondContact N-O 3.11Å; S391-T399 PolarHBondContact OG-OG1 3.06Å; S391-Q400 CarbonylContact O-C 3.58Å; S391-Q400 WeakPolarHBondContact O-CA 3.49Å; S391-I401 PolarHBondContact O-N 3.13Å
392	F	98.9	Very high	98.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.057	C	C	.	.	S	Bend	trans	-66.1	-60.5	165.3	-178.1	-105.4	0	0	0	110.3	I95 F96 Y97 H162 Q165 I166 Q400 I401 E402	I95-F392 HydrophobicContact CD1-CB 3.64Å; I95-F392 HydrophobicContact CD1-CD2 4.07Å; I95-F392 HydrophobicContact CD1-CG 4.35Å; I95-F392 HydrophobicContact CG1-CB 3.77Å; F96-F392 WeakPolarHBondContact O-CB 3.31Å; F96-F392 PolarHBondContact O-N 3.38Å; Y97-F392 HydrophobicContact CD2-CB 4.09Å; Y97-F392 AromaticContact CD2-CD1 3.39Å; Y97-F392 HydrophobicContact CD2-CD1 3.39Å; Y97-F392 HydrophobicContact CD2-CE1 4.15Å; Y97-F392 HydrophobicContact CD2-CG 4.01Å; Y97-F392 AromaticContact CE2-CD1 3.49Å; Y97-F392 HydrophobicContact CE2-CD1 3.49Å; Y97-F392 VanDerWaalsContact CE2-CD1 3.49Å; Y97-F392 AromaticContact CE2-CE1 3.78Å; Y97-F392 HydrophobicContact CE2-CE1 3.78Å; Y97-F392 HydrophobicContact CE2-CG 4.47Å; H162-F392 HydrophobicContact CB-CE1 3.79Å; H162-F392 HydrophobicContact CB-CZ 3.89Å; H162-F392 AromaticContact CD2-CE1 3.37Å; H162-F392 WeakPolarHBondContact CD2-CE1 3.29Å; H162-F392 AromaticContact CD2-CZ 3.61Å; H162-F392 AromaticContact CG-CE1 3.54Å; H162-F392 AromaticContact CG-CZ 3.93Å; H162-F392 AromaticContact NE2-CE1 3.89Å; Q165-F392 HydrophobicContact CB-CE2 3.84Å; Q165-F392 HydrophobicContact CB-CZ 4.07Å; I166-F392 HydrophobicContact CD1-CD1 4.4Å; I166-F392 HydrophobicContact CD1-CD2 4.02Å; I166-F392 HydrophobicContact CD1-CE2 4.25Å; I166-F392 HydrophobicContact CD1-CG 4.1Å; I166-F392 HydrophobicContact CG1-CD2 3.43Å; I166-F392 VanDerWaalsContact CG1-CD2 3.43Å; I166-F392 HydrophobicContact CG1-CE2 3.54Å; I166-F392 HydrophobicContact CG1-CG 4.02Å; I166-F392 HydrophobicContact CG1-CZ 4.2Å; F392-Q400 CarbonylContact O-C 3.48Å; F392-Q400 VanDerWaalsContact O-CA 3.28Å; F392-Q400 WeakPolarHBondContact O-CA 3.43Å; F392-Q400 WeakPolarHBondContact O-CB 3.49Å; F392-I401 HydrophobicContact CD2-CG1 4.38Å; F392-I401 PolarHBondContact O-N 2.96Å; F392-E402 HydrophobicContact CD1-CB 4.48Å; F392-E402 HydrophobicContact CE1-CB 4.11Å; F392-E402 HydrophobicContact CE1-CG 3.95Å; F392-E402 HydrophobicContact CE2-CB 4.19Å; F392-E402 HydrophobicContact CE2-CG 4.39Å; F392-E402 HydrophobicContact CZ-CB 3.97Å; F392-E402 HydrophobicContact CZ-CG 3.75Å; F392-E402 VanDerWaalsContact O-CB 3.31Å; F392-E402 WeakPolarHBondContact O-CB 3.47Å; F392-E402 PolarHBondContact O-N 3.45Å
393	N	98.9	Very high	98.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	-140.9	35.5	-168.1	67.8	-23.8	0	0	0	115.2	Y98 Y101 Y151 W395 E402	Y98-N393 PolarHBondContact N-OD1 3.35Å; Y98-N393 PolarHBondContact O-ND2 2.74Å; Y101-N393 HydrophobicContact CE2-CB 4.5Å; Y101-N393 WeakPolarHBondContact CE2-O 3.19Å; Y101-N393 PolarHBondContact OH-O 2.84Å; Y151-N393 PolarHBondContact OH-ND2 3.27Å; Y151-N393 VanDerWaalsContact OH-ND2 3.15Å; N393-W395 PolarHBondContact O-N 2.82Å; N393-E402 HydrophobicContact CB-CB 4.4Å; N393-E402 WeakPolarHBondContact CB-OE2 3.27Å
394	E	98.8	Very high	98.5	Very high	5 Å²	5	7.4 Å²	7.4	2%	0.023	3%	0.034	C	C	.	.			trans	-78	77.4	168	-172.9	52.8	-131.7	0	0	110	Y98 W100 S391 H396 E397 G398 T399	Y98-E394 VanDerWaalsContact CD1-OE2 3.31Å; Y98-E394 WeakPolarHBondContact CD1-OE2 3.37Å; Y98-E394 HydrophobicContact CD2-CB 4.04Å; Y98-E394 WeakPolarHBondContact CD2-OE2 3.48Å; Y98-E394 VanDerWaalsContact CE1-OE2 3.26Å; Y98-E394 WeakPolarHBondContact CE1-OE2 3.48Å; Y98-E394 HydrophobicContact CE2-CB 3.7Å; Y98-E394 HydrophobicContact CE2-CG 4.32Å; Y98-E394 WeakPolarHBondContact CE2-OE2 3.42Å; Y98-E394 VanDerWaalsContact CZ-OE2 3.26Å; W100-E394 WeakPolarHBondContact CH2-OE2 3.31Å; W100-E394 VanDerWaalsContact CZ2-CD 3.48Å; W100-E394 VanDerWaalsContact CZ2-OE1 3.3Å; W100-E394 WeakPolarHBondContact CZ2-OE1 3.28Å; W100-E394 WeakPolarHBondContact CZ2-OE2 3.48Å; S391-E394 WeakPolarHBondContact OG-CB 3.38Å; S391-E394 PolarHBondContact OG-N 2.87Å; E394-H396 VanDerWaalsContact C-N 3.31Å; E394-H396 PolarHBondContact O-N 2.94Å; E394-H396 WeakPolarHBondContact OE1-CB 3.19Å; E394-H396 IonicContact OE1-CD2 3.45Å; E394-H396 PolarHBondContact OE1-CD2 2.91Å; E394-H396 IonicContact OE1-CG 3.94Å; E394-E397 HydrophobicContact CG-CB 3.95Å; E394-E397 HydrophobicContact CG-CG 3.89Å; E394-E397 PolarHBondContact O-N 2.76Å; E394-G398 PolarHBondContact O-N 2.74Å; E394-T399 WeakPolarHBondContact CB-OG1 3.48Å; E394-T399 PolarHBondContact O-N 2.91Å
395	W	98.9	Very high	98.5	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-32.8	-173.7	-74.7	98	0	0	0	112.5	Y101 W113 S142 F144 P146 Y151 N393 E397 G398 Q400 E402 A404	Y101-W395 HydrophobicContact CE1-CB 4.5Å; Y101-W395 AromaticContact CZ-CD1 3.75Å; Y101-W395 PolarHBondContact OH-N 2.82Å; Y101-W395 VanDerWaalsContact OH-N 3.11Å; W113-W395 HydrophobicContact CH2-CB 4.33Å; W113-W395 AromaticContact CH2-CD1 3.62Å; W113-W395 HydrophobicContact CH2-CD2 4.45Å; W113-W395 AromaticContact CH2-CG 3.89Å; W113-W395 HydrophobicContact CH2-CG 3.89Å; W113-W395 HydrophobicContact CZ3-CB 3.97Å; W113-W395 AromaticContact CZ3-CG 3.96Å; W113-W395 HydrophobicContact CZ3-CG 3.96Å; S142-W395 VanDerWaalsContact CB-O 3.27Å; S142-W395 WeakPolarHBondContact CB-O 3.47Å; S142-W395 PolarHBondContact OG-O 3.24Å; F144-W395 HydrophobicContact CB-CE3 3.98Å; F144-W395 HydrophobicContact CB-CZ3 3.63Å; P146-W395 HydrophobicContact CB-CH2 3.82Å; P146-W395 HydrophobicContact CB-CZ2 3.53Å; P146-W395 HydrophobicContact CB-CZ3 4.38Å; P146-W395 HydrophobicContact CG-CD2 3.82Å; P146-W395 HydrophobicContact CG-CE3 4.02Å; P146-W395 HydrophobicContact CG-CG 4.47Å; P146-W395 HydrophobicContact CG-CH2 3.98Å; P146-W395 HydrophobicContact CG-CZ2 3.73Å; P146-W395 HydrophobicContact CG-CZ3 4.08Å; Y151-W395 PolarHBondContact OH-NE1 3.24Å; N393-W395 PolarHBondContact O-N 2.82Å; W395-E397 PolarHBondContact O-N 3.04Å; W395-G398 PolarHBondContact O-N 3.29Å; W395-Q400 HydrophobicContact CD2-CB 4.33Å; W395-Q400 HydrophobicContact CD2-CG 3.73Å; W395-Q400 HydrophobicContact CE3-CG 3.67Å; W395-Q400 HydrophobicContact CH2-CG 3.66Å; W395-Q400 HydrophobicContact CZ2-CG 3.75Å; W395-Q400 HydrophobicContact CZ3-CG 3.65Å; W395-E402 HydrophobicContact CZ2-CB 3.84Å; W395-E402 HydrophobicContact CZ2-CG 3.96Å; W395-E402 PolarHBondContact NE1-OE2 2.94Å; W395-A404 HydrophobicContact CH2-CB 3.77Å; W395-A404 HydrophobicContact CZ3-CB 3.96Å
396	H	98.8	Very high	98.6	Very high	4 Å²	4	10.2 Å²	10.2	2%	0.019	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-37.4	-179.6	-54.3	-41.7	0	0	0	112.1	W100 Y101 H112 A141 D352 I355 E394	W100-H396 AromaticContact CE2-NE2 3.99Å; W100-H396 AromaticContact CZ2-CD2 3.6Å; W100-H396 AromaticContact CZ2-NE2 3.93Å; W100-H396 AromaticContact NE1-NE2 3.81Å; Y101-H396 AromaticContact CE1-CE1 3.88Å; Y101-H396 AromaticContact CE1-NE2 3.89Å; H112-H396 AromaticContact CG-NE2 3.62Å; H112-H396 AromaticContact ND1-CD2 3.83Å; H112-H396 AromaticContact ND1-NE2 3Å; H112-H396 PolarHBondContact ND1-NE2 2.75Å; H112-H396 PolarHBondContact O-CE1 3.03Å; A141-H396 WeakPolarHBondContact O-CA 3.46Å; A141-H396 PolarHBondContact O-ND1 3.47Å; D352-H396 VanDerWaalsContact CA-O 3.29Å; D352-H396 WeakPolarHBondContact CA-O 3.4Å; I355-H396 HydrophobicContact CD1-CB 3.73Å; I355-H396 HydrophobicContact CG1-CB 4.23Å; E394-H396 VanDerWaalsContact C-N 3.31Å; E394-H396 PolarHBondContact O-N 2.94Å; E394-H396 WeakPolarHBondContact OE1-CB 3.19Å; E394-H396 IonicContact OE1-CD2 3.45Å; E394-H396 PolarHBondContact OE1-CD2 2.91Å; E394-H396 IonicContact OE1-CG 3.94Å
397	E	98.8	Very high	98.6	Very high	19 Å²	19	12.5 Å²	12.5	9%	0.089	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-0.3	-177.3	-55.4	-163.2	151.4	0	0	113.6	Y350 I351 D352 R356 E394 W395 T399	Y350-E397 HydrophobicContact CD2-CB 4.18Å; Y350-E397 HydrophobicContact CE2-CB 3.74Å; Y350-E397 HydrophobicContact CE2-CG 4.22Å; I351-E397 CarbonylContact C-O 3.45Å; I351-E397 PolarHBondContact N-O 2.92Å; I351-E397 CarbonylContact O-C 3.56Å; D352-E397 HydrophobicContact CB-CB 4.42Å; D352-E397 HydrophobicContact CB-CG 4.35Å; R356-E397 IonicContact CZ-OE1 3.05Å; R356-E397 IonicContact NH1-OE1 3.19Å; R356-E397 PolarHBondContact NH1-OE1 2.94Å; R356-E397 IonicContact NH2-OE1 3.54Å; R356-E397 PolarHBondContact NH2-OE1 2.93Å; E394-E397 HydrophobicContact CG-CB 3.95Å; E394-E397 HydrophobicContact CG-CG 3.89Å; E394-E397 PolarHBondContact O-N 2.76Å; W395-E397 PolarHBondContact O-N 3.04Å; E397-T399 HydrophobicContact CB-CG2 3.9Å; E397-T399 PolarHBondContact O-N 2.93Å
398	G	98.8	Very high	98.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	24.9	178.6	0	0	0	0	0	113.3	R366 E394 W395 Q400	R366-G398 PolarHBondContact NH2-O 2.83Å; E394-G398 PolarHBondContact O-N 2.74Å; W395-G398 PolarHBondContact O-N 3.29Å; G398-Q400 PolarHBondContact O-OE1 3.33Å
399	T	98.9	Very high	98.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.1	C	C	.	.			trans	-98	-3	-177.6	68.9	0	0	0	0	113.3	A315 P348 Y350 T390 S391 E394 E397	A315-T399 HydrophobicContact CB-CG2 3.6Å; P348-T399 WeakPolarHBondContact CD-O 3.41Å; P348-T399 WeakPolarHBondContact CG-O 3.36Å; Y350-T399 HydrophobicContact CD2-CG2 3.69Å; Y350-T399 HydrophobicContact CE2-CG2 4.44Å; T390-T399 CarbonylContact C-O 3.43Å; S391-T399 PolarHBondContact N-O 3.11Å; S391-T399 PolarHBondContact OG-OG1 3.06Å; E394-T399 WeakPolarHBondContact CB-OG1 3.48Å; E394-T399 PolarHBondContact O-N 2.91Å; E397-T399 HydrophobicContact CB-CG2 3.9Å; E397-T399 PolarHBondContact O-N 2.93Å
400	Q	98.9	Very high	98	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.			trans	-63.1	142.3	-175.4	81.7	-68.6	-4.3	0	0	113.3	F144 R366 S391 F392 W395 G398 Y417	F144-Q400 VanDerWaalsContact CG-NE2 3.26Å; R366-Q400 VanDerWaalsContact CZ-O 3.25Å; R366-Q400 PolarHBondContact NH1-O 3.45Å; R366-Q400 VanDerWaalsContact NH2-CD 3.26Å; R366-Q400 PolarHBondContact NH2-O 3.36Å; S391-Q400 CarbonylContact O-C 3.58Å; S391-Q400 WeakPolarHBondContact O-CA 3.49Å; F392-Q400 CarbonylContact O-C 3.48Å; F392-Q400 VanDerWaalsContact O-CA 3.28Å; F392-Q400 WeakPolarHBondContact O-CA 3.43Å; F392-Q400 WeakPolarHBondContact O-CB 3.49Å; W395-Q400 HydrophobicContact CD2-CB 4.33Å; W395-Q400 HydrophobicContact CD2-CG 3.73Å; W395-Q400 HydrophobicContact CE3-CG 3.67Å; W395-Q400 HydrophobicContact CH2-CG 3.66Å; W395-Q400 HydrophobicContact CZ2-CG 3.75Å; W395-Q400 HydrophobicContact CZ3-CG 3.65Å; G398-Q400 PolarHBondContact O-OE1 3.33Å; Q400-Y417 PolarHBondContact NE2-OH 3.37Å; Q400-Y417 VanDerWaalsContact NE2-OH 3.13Å; Q400-Y417 PolarHBondContact O-OH 3.01Å
401	I	98.9	Very high	97.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.181	C	C	.	.			trans	-101.2	-9.4	164.5	69.4	167.1	0	0	0	112.7	I95 P348 Y372 I389 S391 F392 L426 T429	I95-I401 HydrophobicContact CD1-CD1 3.38Å; I95-I401 HydrophobicContact CD1-CG1 3.78Å; P348-I401 HydrophobicContact CB-CG2 4.37Å; P348-I401 HydrophobicContact CG-CG2 3.92Å; Y372-I401 HydrophobicContact CE1-CG2 4.45Å; I389-I401 HydrophobicContact CG2-CD1 4.35Å; I389-I401 HydrophobicContact CG2-CG2 4.29Å; S391-I401 PolarHBondContact O-N 3.13Å; F392-I401 HydrophobicContact CD2-CG1 4.38Å; F392-I401 PolarHBondContact O-N 2.96Å; I401-L426 HydrophobicContact CB-CD2 4.38Å; I401-L426 HydrophobicContact CD1-CD2 3.84Å; I401-L426 HydrophobicContact CG1-CD2 3.89Å; I401-L426 WeakPolarHBondContact O-CD2 3.12Å; I401-T429 HydrophobicContact CD1-CG2 4.4Å; I401-T429 WeakPolarHBondContact CD1-OG1 3.36Å
402	E	98.9	Very high	97.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-50	145.2	169.4	-169.8	-165.6	148.5	0	0	110.4	Y151 H162 F392 N393 W395 A404 Y417	Y151-E402 WeakPolarHBondContact CE1-OE1 3.33Å; Y151-E402 PolarHBondContact OH-OE2 3.23Å; H162-E402 IonicContact NE2-OE1 3.72Å; H162-E402 IonicContact NE2-OE2 2.57Å; F392-E402 HydrophobicContact CD1-CB 4.48Å; F392-E402 HydrophobicContact CE1-CB 4.11Å; F392-E402 HydrophobicContact CE1-CG 3.95Å; F392-E402 HydrophobicContact CE2-CB 4.19Å; F392-E402 HydrophobicContact CE2-CG 4.39Å; F392-E402 HydrophobicContact CZ-CB 3.97Å; F392-E402 HydrophobicContact CZ-CG 3.75Å; F392-E402 VanDerWaalsContact O-CB 3.31Å; F392-E402 WeakPolarHBondContact O-CB 3.47Å; F392-E402 PolarHBondContact O-N 3.45Å; N393-E402 HydrophobicContact CB-CB 4.4Å; N393-E402 WeakPolarHBondContact CB-OE2 3.27Å; W395-E402 HydrophobicContact CZ2-CB 3.84Å; W395-E402 HydrophobicContact CZ2-CG 3.96Å; W395-E402 PolarHBondContact NE1-OE2 2.94Å; E402-A404 PolarHBondContact O-N 3.34Å; E402-Y417 PolarHBondContact O-OH 3.42Å
403	R	98.9	Very high	97.2	Very high	49 Å²	49	41.4 Å²	41.4	19%	0.185	22%	0.22	C	C	.	.			trans	-54.2	124.2	-178.6	-68.9	172.2	-166.3	176.8	-8.5	112	E147 Q165 P422 E423 L426	E147-R403 HydrophobicContact CB-CB 3.88Å; E147-R403 PolarHBondContact N-O 3.42Å; E147-R403 WeakPolarHBondContact OE2-CD 3.37Å; E147-R403 IonicContact OE2-NH1 2.85Å; Q165-R403 VanDerWaalsContact OE1-N 3.1Å; R403-P422 HydrophobicContact CB-CB 3.8Å; R403-P422 HydrophobicContact CG-CB 3.97Å; R403-E423 WeakPolarHBondContact CD-OE1 3.49Å; R403-E423 IonicContact CZ-OE1 2.74Å; R403-E423 IonicContact CZ-OE2 3.53Å; R403-E423 IonicContact NE-OE1 3.32Å; R403-E423 PolarHBondContact NE-OE1 3.13Å; R403-E423 IonicContact NE-OE2 3.83Å; R403-E423 PolarHBondContact NE-OE2 3.24Å; R403-E423 IonicContact NH1-OE1 3.14Å; R403-E423 PolarHBondContact NH1-OE1 2.66Å; R403-E423 IonicContact NH2-OE1 2.82Å; R403-E423 PolarHBondContact NH2-OE1 2.84Å; R403-E423 IonicContact NH2-OE2 2.86Å; R403-E423 PolarHBondContact NH2-OE2 3.13Å; R403-L426 HydrophobicContact CG-CD1 4.07Å
404	A	98.6	Very high	97.2	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.008	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-112.1	148.8	172.4	0	0	0	0	0	111	F144 Y145 W395 E402 Y417	F144-A404 HydrophobicContact CB-CB 4.47Å; Y145-A404 CarbonylContact O-C 3.56Å; Y145-A404 VanDerWaalsContact O-CA 3.27Å; Y145-A404 WeakPolarHBondContact O-CA 3.36Å; Y145-A404 WeakPolarHBondContact O-CB 3.38Å; W395-A404 HydrophobicContact CH2-CB 3.77Å; W395-A404 HydrophobicContact CZ3-CB 3.96Å; E402-A404 PolarHBondContact O-N 3.34Å; A404-Y417 HydrophobicContact CB-CD1 4.23Å; A404-Y417 HydrophobicContact CB-CD2 4.08Å; A404-Y417 HydrophobicContact CB-CE1 3.68Å; A404-Y417 HydrophobicContact CB-CE2 3.54Å; A404-Y417 HydrophobicContact CB-CG 4.4Å
405	M	96.4	Very high	97.2	Very high	61 Å²	61	45 Å²	45	30%	0.3	24%	0.239	S	C	.	.			trans	-117.2	149.4	178.3	66.2	176.6	-62.1	0	0	112.1	Y145 K407	Y145-M405 HydrophobicContact CD1-CG 4.08Å; Y145-M405 HydrophobicContact CD1-SD 4.28Å; Y145-M405 PolarHBondContact O-N 3.41Å; M405-K407 PolarHBondContact O-N 3.16Å
406	P	97.8	Very high	97.1	Very high	65 Å²	65	47.3 Å²	47.3	42%	0.422	25%	0.251	S	S	.	.			trans	-59.1	125.7	167.8	-22.5	33.6	0	0	0	110.8	D416 Q418	P406-D416 HydrophobicContact CB-CB 4.29Å; P406-D416 WeakPolarHBondContact CB-OD2 3.5Å; P406-D416 HydrophobicContact CG-CB 4.07Å; P406-Q418 HydrophobicContact CG-CG 4.14Å
407	K	97.6	Very high	97.1	Very high	47 Å²	47	47.5 Å²	47.5	20%	0.204	25%	0.252	C	S	.	.			trans	-137.3	131.9	176.7	-177.8	77.4	173.4	-175.1	0	110	E138 Y145 M405 Y414	E138-K407 VanDerWaalsContact CD-NZ 3.34Å; E138-K407 IonicContact OE1-NZ 3.01Å; E138-K407 PolarHBondContact OE1-NZ 2.84Å; E138-K407 WeakPolarHBondContact OE2-CE 3.42Å; E138-K407 IonicContact OE2-NZ 3.72Å; E138-K407 PolarHBondContact OE2-NZ 2.75Å; Y145-K407 HydrophobicContact CD1-CB 4.17Å; Y145-K407 HydrophobicContact CD1-CD 4.43Å; Y145-K407 HydrophobicContact CD1-CG 4.2Å; Y145-K407 HydrophobicContact CD2-CB 4.25Å; Y145-K407 HydrophobicContact CD2-CG 3.9Å; Y145-K407 HydrophobicContact CE1-CD 4.39Å; Y145-K407 HydrophobicContact CE2-CG 4.25Å; Y145-K407 HydrophobicContact CG-CB 3.78Å; Y145-K407 HydrophobicContact CG-CG 3.87Å; M405-K407 PolarHBondContact O-N 3.16Å; K407-Y414 HydrophobicContact CB-CD2 3.85Å; K407-Y414 HydrophobicContact CB-CG 4.35Å; K407-Y414 HydrophobicContact CG-CD2 3.78Å; K407-Y414 HydrophobicContact CG-CE2 4.06Å; K407-Y414 PolarHBondContact O-N 2.81Å
408	K	97.1	Very high	97	Very high	163 Å²	163	52.3 Å²	52.3	71%	0.709	27%	0.274	S	S	*	.	B	Isolated β-bridge	trans	-130	131.9	173.5	177.4	174.4	179.2	-176.4	0	109.4	V413	K408-V413 HydrophobicContact CD-CG2 4.27Å; K408-V413 HydrophobicContact CG-CG2 4.13Å
409	T	94.1	Very high	96.9	Very high	22 Å²	22	57.3 Å²	57.3	14%	0.135	31%	0.307	C	S	.	.			trans	-114	-177.8	171.6	76.7	0	0	0	0	109.2	E138 T411 R412 Y414	E138-T409 HydrophobicContact CB-CG2 4.14Å; E138-T409 WeakPolarHBondContact O-CG2 3.42Å; E138-T409 VanDerWaalsContact OE2-CG2 3.22Å; E138-T409 WeakPolarHBondContact OE2-CG2 3.26Å; T409-T411 PolarHBondContact O-N 3.42Å; T409-T411 PolarHBondContact OG1-N 3.23Å; T409-T411 PolarHBondContact OG1-OG1 3.15Å; T409-R412 PolarHBondContact N-O 2.86Å; T409-R412 PolarHBondContact OG1-N 2.81Å; T409-R412 PolarHBondContact OG1-O 2.8Å; T409-Y414 HydrophobicContact CG2-CE2 4.19Å
410	V	91.5	Very high	96.9	Very high	154 Å²	154	61.2 Å²	61.2	93%	0.933	33%	0.325	S	S	*	.	S	Bend	trans	-63	-34.5	175.2	178.8	0	0	0	0	111.3
411	T	89.1	Confident	96.7	Very high	127 Å²	127	63.2 Å²	63.2	78%	0.779	35%	0.345	S	S	*	.	S	Bend	trans	-106.8	-13.8	-171.2	52.7	0	0	0	0	113.6	T409	T409-T411 PolarHBondContact O-N 3.42Å; T409-T411 PolarHBondContact OG1-N 3.23Å; T409-T411 PolarHBondContact OG1-OG1 3.15Å
412	R	93.9	Very high	96.7	Very high	48 Å²	48	65 Å²	65	18%	0.181	36%	0.357	C	S	.	.			trans	-144.7	142.2	-169	-164.2	165.8	-173	-176.6	-5.2	113	H134 D139 I140 S142 T409 Y414	H134-R412 PolarHBondContact CE1-NH1 3.28Å; D139-R412 IonicContact OD1-NH1 2.74Å; D139-R412 PolarHBondContact OD1-NH1 2.75Å; I140-R412 PolarHBondContact O-NH1 3.38Å; S142-R412 PolarHBondContact O-NH2 3.1Å; T409-R412 PolarHBondContact N-O 2.86Å; T409-R412 PolarHBondContact OG1-N 2.81Å; T409-R412 PolarHBondContact OG1-O 2.8Å; R412-Y414 HydrophobicContact CB-CE2 4.38Å; R412-Y414 HydrophobicContact CG-CD2 4.33Å; R412-Y414 HydrophobicContact CG-CE2 4.14Å
413	V	97.4	Very high	96.6	Very high	105 Å²	105	67.6 Å²	67.6	64%	0.636	37%	0.369	S	S	*	.	B	Isolated β-bridge	trans	-114.1	117.2	164.2	-177.9	0	0	0	0	105.9	K408	K408-V413 HydrophobicContact CD-CG2 4.27Å; K408-V413 HydrophobicContact CG-CG2 4.13Å
414	Y	98.5	Very high	96.6	Very high	3 Å²	3	66 Å²	66	1%	0.012	36%	0.364	C	S	.	.			trans	-76.6	149	174.9	-70.3	-93.9	0	0	0	109.5	E138 D139 I140 S142 F144 Y145 K407 T409 R412	E138-Y414 PolarHBondContact O-OH 2.81Å; D139-Y414 VanDerWaalsContact CA-OH 3.31Å; D139-Y414 WeakPolarHBondContact CA-OH 2.96Å; I140-Y414 HydrophobicContact CD1-CE1 4.41Å; I140-Y414 HydrophobicContact CG1-CE1 3.69Å; I140-Y414 PolarHBondContact N-OH 2.93Å; S142-Y414 WeakPolarHBondContact O-CE1 3.32Å; F144-Y414 WeakPolarHBondContact O-CD1 3.34Å; Y145-Y414 HydrophobicContact CD2-CD1 4.23Å; Y145-Y414 HydrophobicContact CD2-CD2 4.18Å; Y145-Y414 AromaticContact CD2-CE1 3.96Å; Y145-Y414 HydrophobicContact CD2-CE1 3.96Å; Y145-Y414 AromaticContact CD2-CE2 3.91Å; Y145-Y414 HydrophobicContact CD2-CE2 3.91Å; Y145-Y414 HydrophobicContact CD2-CG 4.32Å; Y145-Y414 AromaticContact CD2-CZ 3.78Å; Y145-Y414 HydrophobicContact CE2-CE2 4.49Å; K407-Y414 HydrophobicContact CB-CD2 3.85Å; K407-Y414 HydrophobicContact CB-CG 4.35Å; K407-Y414 HydrophobicContact CG-CD2 3.78Å; K407-Y414 HydrophobicContact CG-CE2 4.06Å; K407-Y414 PolarHBondContact O-N 2.81Å; T409-Y414 HydrophobicContact CG2-CE2 4.19Å; R412-Y414 HydrophobicContact CB-CE2 4.38Å; R412-Y414 HydrophobicContact CG-CD2 4.33Å; R412-Y414 HydrophobicContact CG-CE2 4.14Å
415	L	98.6	Very high	96.6	Very high	78 Å²	78	66.2 Å²	66.2	41%	0.408	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-68.7	152.9	166.7	-59.4	-179.1	0	0	0	109.2	S143 F144 I351	S143-L415 PolarHBondContact O-N 3.04Å; F144-L415 WeakPolarHBondContact CA-O 3.43Å; F144-L415 HydrophobicContact CD1-CB 3.68Å; F144-L415 WeakPolarHBondContact CD1-O 3.48Å; F144-L415 HydrophobicContact CD2-CB 4.37Å; F144-L415 HydrophobicContact CE1-CB 3.44Å; F144-L415 VanDerWaalsContact CE1-CB 3.44Å; F144-L415 HydrophobicContact CE2-CB 4.18Å; F144-L415 HydrophobicContact CE2-CD1 4.13Å; F144-L415 HydrophobicContact CG-CB 4.13Å; F144-L415 HydrophobicContact CZ-CB 3.7Å; F144-L415 HydrophobicContact CZ-CD1 3.98Å; I351-L415 HydrophobicContact CD1-CD1 3.73Å; I351-L415 HydrophobicContact CG2-CD1 4.12Å
416	D	98.3	Very high	96.7	Very high	48 Å²	48	63.4 Å²	63.4	26%	0.257	35%	0.351	S	S	.	.			trans	-145.1	-173.2	-179.5	61.5	47.2	0	0	0	110.6	P406 Q418	P406-D416 HydrophobicContact CB-CB 4.29Å; P406-D416 WeakPolarHBondContact CB-OD2 3.5Å; P406-D416 HydrophobicContact CG-CB 4.07Å; D416-Q418 WeakPolarHBondContact OD1-CB 3.36Å; D416-Q418 WeakPolarHBondContact OD1-CG 3.49Å; D416-Q418 PolarHBondContact OD1-N 2.91Å
417	Y	98.4	Very high	96.8	Very high	7 Å²	7	65.7 Å²	65.7	3%	0.027	36%	0.356	C	S	.	.			trans	-99.8	8.9	-175.2	-56.6	-15.6	0	0	0	113	F144 R366 Q400 E402 A404 H420 Y425	F144-Y417 HydrophobicContact CD1-CD1 4.22Å; F144-Y417 AromaticContact CD1-CE1 3.7Å; F144-Y417 HydrophobicContact CD1-CE1 3.7Å; F144-Y417 HydrophobicContact CE1-CD1 4.02Å; F144-Y417 AromaticContact CE1-CE1 3.72Å; F144-Y417 HydrophobicContact CE1-CE1 3.72Å; R366-Y417 PolarHBondContact NH1-OH 2.96Å; R366-Y417 VanDerWaalsContact NH1-OH 3.16Å; Q400-Y417 PolarHBondContact NE2-OH 3.37Å; Q400-Y417 VanDerWaalsContact NE2-OH 3.13Å; Q400-Y417 PolarHBondContact O-OH 3.01Å; E402-Y417 PolarHBondContact O-OH 3.42Å; A404-Y417 HydrophobicContact CB-CD1 4.23Å; A404-Y417 HydrophobicContact CB-CD2 4.08Å; A404-Y417 HydrophobicContact CB-CE1 3.68Å; A404-Y417 HydrophobicContact CB-CE2 3.54Å; A404-Y417 HydrophobicContact CB-CG 4.4Å; Y417-H420 WeakPolarHBondContact O-CA 3.38Å; Y417-H420 WeakPolarHBondContact O-CB 3.39Å; Y417-H420 PolarHBondContact O-N 3.27Å; Y417-Y425 AromaticContact CD1-CD2 3.97Å; Y417-Y425 HydrophobicContact CD1-CD2 3.97Å; Y417-Y425 AromaticContact CD1-CE2 3.47Å; Y417-Y425 HydrophobicContact CD1-CE2 3.47Å; Y417-Y425 VanDerWaalsContact CD1-CE2 3.47Å; Y417-Y425 AromaticContact CD2-CD2 3.7Å; Y417-Y425 HydrophobicContact CD2-CD2 3.7Å; Y417-Y425 AromaticContact CD2-CE2 3.97Å; Y417-Y425 HydrophobicContact CD2-CE2 3.97Å; Y417-Y425 AromaticContact CE1-CD2 3.93Å; Y417-Y425 HydrophobicContact CE1-CD2 3.93Å; Y417-Y425 AromaticContact CE1-CE2 3.72Å; Y417-Y425 HydrophobicContact CE1-CE2 3.72Å; Y417-Y425 AromaticContact CE2-CD2 3.62Å; Y417-Y425 HydrophobicContact CE2-CD2 3.62Å; Y417-Y425 HydrophobicContact CE2-CE2 4.15Å; Y417-Y425 AromaticContact CG-CD2 3.88Å; Y417-Y425 HydrophobicContact CG-CD2 3.88Å; Y417-Y425 AromaticContact CG-CE2 3.62Å; Y417-Y425 HydrophobicContact CG-CE2 3.62Å; Y417-Y425 AromaticContact CZ-CD2 3.74Å
418	Q	97	Very high	96.8	Very high	120 Å²	120	63.5 Å²	63.5	56%	0.561	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	145.8	-179.6	-68.6	-170	-20.5	0	0	111.7	P406 D416 H420	P406-Q418 HydrophobicContact CG-CG 4.14Å; D416-Q418 WeakPolarHBondContact OD1-CB 3.36Å; D416-Q418 WeakPolarHBondContact OD1-CG 3.49Å; D416-Q418 PolarHBondContact OD1-N 2.91Å; Q418-H420 VanDerWaalsContact C-N 3.32Å
419	P	97	Very high	96.9	Very high	106 Å²	106	55.8 Å²	55.8	69%	0.688	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	cis	-82.5	5.3	8.4	35.6	-37.6	0	0	0	114.9
420	H	97.4	Very high	97.1	Very high	81 Å²	81	59.7 Å²	59.7	38%	0.375	33%	0.325	S	S	.	.	S	Bend	trans	-84.4	170.1	177.2	-54.2	-79.2	0	0	0	111.9	Y417 Q418 H424	Y417-H420 WeakPolarHBondContact O-CA 3.38Å; Y417-H420 WeakPolarHBondContact O-CB 3.39Å; Y417-H420 PolarHBondContact O-N 3.27Å; Q418-H420 VanDerWaalsContact C-N 3.32Å; H420-H424 HydrophobicContact CB-CB 3.67Å; H420-H424 AromaticContact CD2-CD2 3.9Å; H420-H424 AromaticContact CD2-CE1 3.57Å; H420-H424 AromaticContact CD2-ND1 3.89Å; H420-H424 AromaticContact CD2-NE2 3.55Å; H420-H424 AromaticContact CE1-CE1 3.75Å; H420-H424 AromaticContact CG-CE1 3.57Å; H420-H424 AromaticContact CG-CG 3.74Å; H420-H424 AromaticContact CG-ND1 3.45Å; H420-H424 AromaticContact CG-NE2 3.91Å; H420-H424 AromaticContact ND1-CE1 3.68Å; H420-H424 AromaticContact ND1-ND1 3.64Å; H420-H424 AromaticContact NE2-CE1 3.71Å; H420-H424 AromaticContact NE2-NE2 3.91Å
421	G	96.2	Very high	97.5	Very high	42 Å²	42	58.8 Å²	58.8	43%	0.433	31%	0.305	S	S	.	.			trans	-82.8	174.6	175.5	0	0	0	0	0	113.4	E423 H424	G421-E423 PolarHBondContact O-N 2.99Å; G421-H424 WeakPolarHBondContact O-CB 3.45Å; G421-H424 PolarHBondContact O-N 3.06Å; G421-H424 VanDerWaalsContact O-N 3.17Å
422	P	97.6	Very high	97.9	Very high	38 Å²	38	54.4 Å²	54.4	25%	0.247	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-29.3	179.3	-25	34.9	0	0	0	114.2	R403 H424	R403-P422 HydrophobicContact CB-CB 3.8Å; R403-P422 HydrophobicContact CG-CB 3.97Å; P422-H424 VanDerWaalsContact C-N 3.28Å; P422-H424 PolarHBondContact O-N 3.31Å
423	E	97.8	Very high	98.1	Very high	55 Å²	55	52.3 Å²	52.3	26%	0.257	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-12.1	-179.7	-52.2	-60.9	156.6	0	0	114.9	R403 G421 Y425 L426 E427	R403-E423 WeakPolarHBondContact CD-OE1 3.49Å; R403-E423 IonicContact CZ-OE1 2.74Å; R403-E423 IonicContact CZ-OE2 3.53Å; R403-E423 IonicContact NE-OE1 3.32Å; R403-E423 PolarHBondContact NE-OE1 3.13Å; R403-E423 IonicContact NE-OE2 3.83Å; R403-E423 PolarHBondContact NE-OE2 3.24Å; R403-E423 IonicContact NH1-OE1 3.14Å; R403-E423 PolarHBondContact NH1-OE1 2.66Å; R403-E423 IonicContact NH2-OE1 2.82Å; R403-E423 PolarHBondContact NH2-OE1 2.84Å; R403-E423 IonicContact NH2-OE2 2.86Å; R403-E423 PolarHBondContact NH2-OE2 3.13Å; G421-E423 PolarHBondContact O-N 2.99Å; E423-Y425 VanDerWaalsContact C-N 3.25Å; E423-Y425 PolarHBondContact O-N 2.96Å; E423-L426 WeakPolarHBondContact O-CA 3.39Å; E423-L426 WeakPolarHBondContact O-CB 3.32Å; E423-L426 PolarHBondContact O-N 3.46Å; E423-L426 WeakPolarHBondContact OE2-CD1 3.21Å; E423-E427 HydrophobicContact CB-CG 4.11Å; E423-E427 PolarHBondContact O-N 3.13Å
424	H	98.6	Very high	98.1	Very high	16 Å²	16	51.9 Å²	51.9	7%	0.074	26%	0.258	C	S	.	.	H	α-helix	trans	-50.8	-42.5	-163.7	-179	59.1	0	0	0	114.1	N368 H420 G421 P422 L428	N368-H424 PolarHBondContact O-NE2 2.86Å; H420-H424 HydrophobicContact CB-CB 3.67Å; H420-H424 AromaticContact CD2-CD2 3.9Å; H420-H424 AromaticContact CD2-CE1 3.57Å; H420-H424 AromaticContact CD2-ND1 3.89Å; H420-H424 AromaticContact CD2-NE2 3.55Å; H420-H424 AromaticContact CE1-CE1 3.75Å; H420-H424 AromaticContact CG-CE1 3.57Å; H420-H424 AromaticContact CG-CG 3.74Å; H420-H424 AromaticContact CG-ND1 3.45Å; H420-H424 AromaticContact CG-NE2 3.91Å; H420-H424 AromaticContact ND1-CE1 3.68Å; H420-H424 AromaticContact ND1-ND1 3.64Å; H420-H424 AromaticContact NE2-CE1 3.71Å; H420-H424 AromaticContact NE2-NE2 3.91Å; G421-H424 WeakPolarHBondContact O-CB 3.45Å; G421-H424 PolarHBondContact O-N 3.06Å; G421-H424 VanDerWaalsContact O-N 3.17Å; P422-H424 VanDerWaalsContact C-N 3.28Å; P422-H424 PolarHBondContact O-N 3.31Å; H424-L428 WeakPolarHBondContact NE2-CD1 3.47Å; H424-L428 WeakPolarHBondContact O-CB 3.41Å; H424-L428 WeakPolarHBondContact O-CG 3.32Å; H424-L428 PolarHBondContact O-N 2.81Å
425	Y	98.9	Very high	98	Very high	5 Å²	5	55.1 Å²	55.1	2%	0.02	27%	0.273	C	S	.	.	H	α-helix	trans	-76.5	-32.2	-179.4	-68.9	-77.2	0	0	0	112.9	P348 R366 Y372 Y417 E423 L428 T429	P348-Y425 HydrophobicContact CB-CD1 3.49Å; P348-Y425 VanDerWaalsContact CB-CD1 3.49Å; P348-Y425 HydrophobicContact CB-CE1 3.59Å; P348-Y425 HydrophobicContact CB-CG 4.31Å; R366-Y425 HydrophobicContact CB-CE1 4.41Å; R366-Y425 WeakPolarHBondContact CB-OH 3.43Å; R366-Y425 WeakPolarHBondContact CD-OH 3.49Å; R366-Y425 VanDerWaalsContact NH1-CD2 3.34Å; R366-Y425 VanDerWaalsContact NH1-CE2 3.32Å; Y372-Y425 HydrophobicContact CD1-CD1 4.09Å; Y417-Y425 AromaticContact CD1-CD2 3.97Å; Y417-Y425 HydrophobicContact CD1-CD2 3.97Å; Y417-Y425 AromaticContact CD1-CE2 3.47Å; Y417-Y425 HydrophobicContact CD1-CE2 3.47Å; Y417-Y425 VanDerWaalsContact CD1-CE2 3.47Å; Y417-Y425 AromaticContact CD2-CD2 3.7Å; Y417-Y425 HydrophobicContact CD2-CD2 3.7Å; Y417-Y425 AromaticContact CD2-CE2 3.97Å; Y417-Y425 HydrophobicContact CD2-CE2 3.97Å; Y417-Y425 AromaticContact CE1-CD2 3.93Å; Y417-Y425 HydrophobicContact CE1-CD2 3.93Å; Y417-Y425 AromaticContact CE1-CE2 3.72Å; Y417-Y425 HydrophobicContact CE1-CE2 3.72Å; Y417-Y425 AromaticContact CE2-CD2 3.62Å; Y417-Y425 HydrophobicContact CE2-CD2 3.62Å; Y417-Y425 HydrophobicContact CE2-CE2 4.15Å; Y417-Y425 AromaticContact CG-CD2 3.88Å; Y417-Y425 HydrophobicContact CG-CD2 3.88Å; Y417-Y425 AromaticContact CG-CE2 3.62Å; Y417-Y425 HydrophobicContact CG-CE2 3.62Å; Y417-Y425 AromaticContact CZ-CD2 3.74Å; E423-Y425 VanDerWaalsContact C-N 3.25Å; E423-Y425 PolarHBondContact O-N 2.96Å; Y425-L428 HydrophobicContact CD1-CD1 4.22Å; Y425-L428 HydrophobicContact CE1-CD1 4.37Å; Y425-L428 PolarHBondContact O-N 3.44Å; Y425-T429 WeakPolarHBondContact O-CB 3.29Å; Y425-T429 PolarHBondContact O-N 3.26Å; Y425-T429 PolarHBondContact O-OG1 2.9Å
426	L	98.8	Very high	97.9	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-65.2	-44.8	172.6	-55	178.1	0	0	0	110.6	Q165 S169 I401 R403 E423 T429 R430	Q165-L426 HydrophobicContact CB-CD1 3.74Å; Q165-L426 HydrophobicContact CB-CD2 4.41Å; Q165-L426 HydrophobicContact CG-CD1 3.81Å; S169-L426 WeakPolarHBondContact CA-O 3.26Å; I401-L426 HydrophobicContact CB-CD2 4.38Å; I401-L426 HydrophobicContact CD1-CD2 3.84Å; I401-L426 HydrophobicContact CG1-CD2 3.89Å; I401-L426 WeakPolarHBondContact O-CD2 3.12Å; R403-L426 HydrophobicContact CG-CD1 4.07Å; E423-L426 WeakPolarHBondContact O-CA 3.39Å; E423-L426 WeakPolarHBondContact O-CB 3.32Å; E423-L426 PolarHBondContact O-N 3.46Å; E423-L426 WeakPolarHBondContact OE2-CD1 3.21Å; L426-T429 PolarHBondContact O-N 2.73Å; L426-R430 PolarHBondContact O-N 2.98Å
427	E	98.6	Very high	97.7	Very high	112 Å²	112	51.2 Å²	51.2	52%	0.523	25%	0.253	S	S	.	.	H	α-helix	trans	-64.8	-39.7	176.7	-68.3	178	172.2	0	0	112.4	E423 R430 R431	E423-E427 HydrophobicContact CB-CG 4.11Å; E423-E427 PolarHBondContact O-N 3.13Å; E427-R430 PolarHBondContact O-N 3.09Å; E427-R431 WeakPolarHBondContact O-CG 3.39Å; E427-R431 PolarHBondContact O-N 2.98Å; E427-R431 VanDerWaalsContact O-N 3.11Å
428	L	98.6	Very high	97.5	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-60.3	-49.1	172.2	-87.8	167.4	0	0	0	111.2	Y372 E373 H424 Y425 R430 R431 W432	Y372-L428 HydrophobicContact CD1-CB 4.18Å; Y372-L428 HydrophobicContact CE1-CB 4.38Å; E373-L428 HydrophobicContact CG-CD2 3.67Å; H424-L428 WeakPolarHBondContact NE2-CD1 3.47Å; H424-L428 WeakPolarHBondContact O-CB 3.41Å; H424-L428 WeakPolarHBondContact O-CG 3.32Å; H424-L428 PolarHBondContact O-N 2.81Å; Y425-L428 HydrophobicContact CD1-CD1 4.22Å; Y425-L428 HydrophobicContact CE1-CD1 4.37Å; Y425-L428 PolarHBondContact O-N 3.44Å; L428-R430 VanDerWaalsContact C-N 3.32Å; L428-R430 PolarHBondContact O-N 2.87Å; L428-R431 PolarHBondContact O-N 3.47Å; L428-W432 VanDerWaalsContact O-CD1 3.29Å; L428-W432 PolarHBondContact O-N 3.05Å; L428-W432 VanDerWaalsContact O-N 3.15Å
429	T	98.8	Very high	97.3	Very high	2 Å²	2	53 Å²	53	1%	0.012	26%	0.259	C	S	.	.	H	α-helix	trans	-57.3	-46.2	177.2	-60.6	0	0	0	0	111.2	S169 Y372 I389 I401 Y425 L426 R431 W432 A433	S169-T429 CarbonylContact O-C 3.53Å; S169-T429 WeakPolarHBondContact O-CG2 3.45Å; Y372-T429 WeakPolarHBondContact CE1-OG1 3.41Å; Y372-T429 PolarHBondContact OH-OG1 3.5Å; I389-T429 HydrophobicContact CD1-CG2 3.29Å; I401-T429 HydrophobicContact CD1-CG2 4.4Å; I401-T429 WeakPolarHBondContact CD1-OG1 3.36Å; Y425-T429 WeakPolarHBondContact O-CB 3.29Å; Y425-T429 PolarHBondContact O-N 3.26Å; Y425-T429 PolarHBondContact O-OG1 2.9Å; L426-T429 PolarHBondContact O-N 2.73Å; T429-R431 PolarHBondContact O-N 3.3Å; T429-W432 PolarHBondContact O-N 2.95Å; T429-A433 WeakPolarHBondContact O-CB 3.48Å; T429-A433 PolarHBondContact O-N 3.14Å
430	R	98.6	Very high	97.1	Very high	104 Å²	104	49 Å²	49	39%	0.392	23%	0.231	S	C	.	.	H	α-helix	trans	-55.7	-53	177.6	177.2	-176	-67.7	-149.8	-3.2	111.9	A168 S169 A170 L426 E427 L428 W432 A433 E434	A168-R430 VanDerWaalsContact O-CZ 3.23Å; A168-R430 PolarHBondContact O-NE 3.34Å; A168-R430 PolarHBondContact O-NH2 3.25Å; S169-R430 WeakPolarHBondContact O-CA 3.33Å; S169-R430 PolarHBondContact O-N 3.37Å; S169-R430 VanDerWaalsContact O-N 3.13Å; A170-R430 HydrophobicContact CB-CB 4.34Å; A170-R430 HydrophobicContact CB-CG 4.08Å; L426-R430 PolarHBondContact O-N 2.98Å; E427-R430 PolarHBondContact O-N 3.09Å; L428-R430 VanDerWaalsContact C-N 3.32Å; L428-R430 PolarHBondContact O-N 2.87Å; R430-W432 PolarHBondContact O-N 3.06Å; R430-A433 PolarHBondContact O-N 2.93Å; R430-A433 VanDerWaalsContact O-N 3.13Å; R430-E434 HydrophobicContact CG-CG 4.45Å; R430-E434 WeakPolarHBondContact CG-OE1 3.5Å; R430-E434 WeakPolarHBondContact O-CG 3.22Å; R430-E434 PolarHBondContact O-N 3.47Å
431	R	98.3	Very high	96.7	Very high	135 Å²	135	48.4 Å²	48.4	51%	0.509	23%	0.228	S	C	.	.	H	α-helix	trans	-56.6	-39.8	-178.9	-72.9	-170.4	-67.4	152.7	-3.5	112	E427 L428 T429 Q435	E427-R431 WeakPolarHBondContact O-CG 3.39Å; E427-R431 PolarHBondContact O-N 2.98Å; E427-R431 VanDerWaalsContact O-N 3.11Å; L428-R431 PolarHBondContact O-N 3.47Å; T429-R431 PolarHBondContact O-N 3.3Å; R431-Q435 WeakPolarHBondContact O-CB 3.06Å; R431-Q435 PolarHBondContact O-N 3.03Å; R431-Q435 VanDerWaalsContact O-N 3.1Å
432	W	98.4	Very high	96.3	Very high	35 Å²	35	51.5 Å²	51.5	13%	0.133	23%	0.231	C	C	.	.	H	α-helix	trans	-77.9	-31.7	178.9	-80.6	93.1	0	0	0	113.6	E373 L376 Q377 L380 L428 T429 R430 Q435 F436	E373-W432 HydrophobicContact CB-CZ2 3.98Å; E373-W432 HydrophobicContact CG-CZ2 4.42Å; L376-W432 HydrophobicContact CB-CB 4.37Å; L376-W432 HydrophobicContact CB-CD2 3.49Å; L376-W432 VanDerWaalsContact CB-CD2 3.49Å; L376-W432 HydrophobicContact CB-CE3 3.58Å; L376-W432 HydrophobicContact CB-CG 3.87Å; L376-W432 HydrophobicContact CB-CH2 4.46Å; L376-W432 HydrophobicContact CB-CZ2 4.38Å; L376-W432 HydrophobicContact CB-CZ3 4.08Å; L376-W432 HydrophobicContact CD1-CB 3.87Å; L376-W432 HydrophobicContact CD1-CD2 4.04Å; L376-W432 HydrophobicContact CD1-CG 3.53Å; L376-W432 HydrophobicContact CD2-CB 3.98Å; L376-W432 HydrophobicContact CD2-CG 4.33Å; L376-W432 HydrophobicContact CG-CB 4.31Å; L376-W432 HydrophobicContact CG-CD2 4.27Å; L376-W432 HydrophobicContact CG-CG 4.12Å; Q377-W432 HydrophobicContact CB-CH2 3.57Å; Q377-W432 HydrophobicContact CB-CZ2 4.47Å; Q377-W432 HydrophobicContact CB-CZ3 4.05Å; Q377-W432 HydrophobicContact CG-CH2 4.27Å; L380-W432 HydrophobicContact CD2-CE3 4.29Å; L380-W432 HydrophobicContact CD2-CZ3 3.77Å; L428-W432 VanDerWaalsContact O-CD1 3.29Å; L428-W432 PolarHBondContact O-N 3.05Å; L428-W432 VanDerWaalsContact O-N 3.15Å; T429-W432 PolarHBondContact O-N 2.95Å; R430-W432 PolarHBondContact O-N 3.06Å; W432-Q435 PolarHBondContact O-N 3.3Å; W432-F436 WeakPolarHBondContact O-CB 3.41Å; W432-F436 PolarHBondContact O-N 3.44Å
433	A	98	Very high	95.8	Very high	3 Å²	3	52.4 Å²	52.4	3%	0.025	23%	0.23	C	C	.	.	H	α-helix	trans	-65	-43	172.8	0	0	0	0	0	111.1	F90 V93 A170 T429 R430 F436 N437	F90-A433 HydrophobicContact CD2-CB 3.64Å; F90-A433 HydrophobicContact CE2-CB 4.1Å; V93-A433 HydrophobicContact CG2-CB 3.95Å; A170-A433 HydrophobicContact CB-CB 4.14Å; T429-A433 WeakPolarHBondContact O-CB 3.48Å; T429-A433 PolarHBondContact O-N 3.14Å; R430-A433 PolarHBondContact O-N 2.93Å; R430-A433 VanDerWaalsContact O-N 3.13Å; A433-F436 PolarHBondContact O-N 3.16Å; A433-N437 WeakPolarHBondContact O-CB 3.43Å; A433-N437 PolarHBondContact O-N 3.01Å
434	E	96.7	Very high	94.8	Very high	97 Å²	97	54.5 Å²	54.5	45%	0.453	24%	0.243	S	C	.	.	H	α-helix	trans	-60.9	-46.2	172.9	-70.3	171	179.6	0	0	111.7	F90 R430 N437 K438	F90-E434 HydrophobicContact CE2-CB 4.46Å; F90-E434 HydrophobicContact CE2-CG 3.9Å; F90-E434 HydrophobicContact CZ-CG 4.12Å; R430-E434 HydrophobicContact CG-CG 4.45Å; R430-E434 WeakPolarHBondContact CG-OE1 3.5Å; R430-E434 WeakPolarHBondContact O-CG 3.22Å; R430-E434 PolarHBondContact O-N 3.47Å; E434-N437 PolarHBondContact O-N 3.29Å; E434-K438 WeakPolarHBondContact O-CB 3.4Å; E434-K438 PolarHBondContact O-N 3.17Å
435	Q	96.8	Very high	93.1	Very high	71 Å²	71	63.3 Å²	63.3	33%	0.332	29%	0.286	S	S	.	.	H	α-helix	trans	-62.8	-45.3	176.5	-179	64	17.8	0	0	111.6	L380 R431 W432 K438 E439	L380-Q435 HydrophobicContact CD2-CG 3.98Å; R431-Q435 WeakPolarHBondContact O-CB 3.06Å; R431-Q435 PolarHBondContact O-N 3.03Å; R431-Q435 VanDerWaalsContact O-N 3.1Å; W432-Q435 PolarHBondContact O-N 3.3Å; Q435-K438 PolarHBondContact O-N 3.19Å; Q435-E439 PolarHBondContact NE2-OE1 2.95Å; Q435-E439 WeakPolarHBondContact O-CG 3.36Å; Q435-E439 PolarHBondContact O-N 3Å
436	F	96.1	Very high	92.8	Very high	10 Å²	10	66.2 Å²	66.2	4%	0.044	30%	0.299	C	S	.	.	H	α-helix	trans	-58.9	-48.6	177.4	173	-108.1	0	0	0	111.3	D92 V93 L380 P384 V387 W432 A433 K438 E439 K440 W443	D92-F436 HydrophobicContact CB-CE1 3.87Å; V93-F436 HydrophobicContact CG2-CD1 4.08Å; L380-F436 HydrophobicContact CD1-CB 4.19Å; L380-F436 HydrophobicContact CD1-CD2 3.78Å; L380-F436 HydrophobicContact CD1-CG 4.49Å; P384-F436 HydrophobicContact CG-CE2 3.98Å; P384-F436 HydrophobicContact CG-CZ 4.49Å; P384-F436 WeakPolarHBondContact O-CE2 3.47Å; P384-F436 WeakPolarHBondContact O-CZ 3.39Å; V387-F436 HydrophobicContact CG1-CD1 4.4Å; V387-F436 HydrophobicContact CG1-CE1 4.4Å; W432-F436 WeakPolarHBondContact O-CB 3.41Å; W432-F436 PolarHBondContact O-N 3.44Å; A433-F436 PolarHBondContact O-N 3.16Å; F436-K438 VanDerWaalsContact C-N 3.35Å; F436-K438 PolarHBondContact O-N 2.82Å; F436-E439 PolarHBondContact O-N 2.99Å; F436-K440 HydrophobicContact CE1-CD 4.23Å; F436-K440 HydrophobicContact CZ-CD 4.11Å; F436-K440 VanDerWaalsContact O-CB 3.25Å; F436-K440 WeakPolarHBondContact O-CB 3.37Å; F436-K440 PolarHBondContact O-N 3.41Å; F436-W443 HydrophobicContact CD2-CH2 4.28Å; F436-W443 HydrophobicContact CE2-CH2 4.19Å; F436-W443 HydrophobicContact CE2-CZ3 4.1Å
437	N	93.9	Very high	92.5	Very high	34 Å²	34	69.6 Å²	69.6	18%	0.182	31%	0.314	C	S	.	.	H	α-helix	trans	-61	-44.2	176.8	180	61.5	0	0	0	111.6	F90 A433 E434 E439 K440 Q441	F90-N437 HydrophobicContact CD1-CB 3.53Å; F90-N437 HydrophobicContact CE1-CB 3.45Å; F90-N437 VanDerWaalsContact CE1-CB 3.45Å; F90-N437 VanDerWaalsContact CE1-ND2 3.3Å; F90-N437 WeakPolarHBondContact CE1-ND2 3.13Å; F90-N437 HydrophobicContact CG-CB 4.24Å; F90-N437 HydrophobicContact CZ-CB 4.07Å; A433-N437 WeakPolarHBondContact O-CB 3.43Å; A433-N437 PolarHBondContact O-N 3.01Å; E434-N437 PolarHBondContact O-N 3.29Å; N437-E439 PolarHBondContact O-N 3.04Å; N437-K440 PolarHBondContact O-N 2.93Å; N437-Q441 WeakPolarHBondContact O-CG 3.05Å; N437-Q441 PolarHBondContact O-N 3.35Å
438	K	94.3	Very high	92.2	Very high	124 Å²	124	67.2 Å²	67.2	54%	0.539	30%	0.303	S	S	.	.	H	α-helix	trans	-59.6	-46.5	177.5	-179	-178	176.2	-176.6	0	112.4	E434 Q435 F436 Q442	E434-K438 WeakPolarHBondContact O-CB 3.4Å; E434-K438 PolarHBondContact O-N 3.17Å; Q435-K438 PolarHBondContact O-N 3.19Å; F436-K438 VanDerWaalsContact C-N 3.35Å; F436-K438 PolarHBondContact O-N 2.82Å; K438-Q442 WeakPolarHBondContact O-CG 3.43Å; K438-Q442 PolarHBondContact O-N 3.18Å
439	E	94.6	Very high	91.8	Very high	41 Å²	41	71.1 Å²	71.1	19%	0.192	32%	0.32	C	S	.	.	H	α-helix	trans	-68.3	-39.6	177.8	-69.5	-163.2	-166.9	0	0	111.9	L380 Q435 F436 N437 Q441 Q442 W443	L380-E439 HydrophobicContact CD1-CB 4.11Å; L380-E439 HydrophobicContact CD1-CG 4.32Å; L380-E439 WeakPolarHBondContact CD1-OE2 3.43Å; L380-E439 VanDerWaalsContact CD2-OE1 3.32Å; L380-E439 WeakPolarHBondContact CD2-OE1 3.45Å; L380-E439 VanDerWaalsContact CG-OE2 3.26Å; L380-E439 WeakPolarHBondContact CG-OE2 3.34Å; Q435-E439 PolarHBondContact NE2-OE1 2.95Å; Q435-E439 WeakPolarHBondContact O-CG 3.36Å; Q435-E439 PolarHBondContact O-N 3Å; F436-E439 PolarHBondContact O-N 2.99Å; N437-E439 PolarHBondContact O-N 3.04Å; E439-Q441 VanDerWaalsContact C-N 3.32Å; E439-Q441 PolarHBondContact O-N 3.39Å; E439-Q442 WeakPolarHBondContact O-CA 3.45Å; E439-Q442 WeakPolarHBondContact O-CB 3.5Å; E439-Q442 PolarHBondContact O-N 3.2Å; E439-W443 HydrophobicContact CB-CH2 4.19Å; E439-W443 HydrophobicContact CB-CZ2 3.47Å; E439-W443 VanDerWaalsContact CB-CZ2 3.47Å; E439-W443 VanDerWaalsContact O-CG 3.25Å; E439-W443 PolarHBondContact O-N 2.93Å; E439-W443 PolarHBondContact O-NE1 2.98Å; E439-W443 WeakPolarHBondContact OE2-CZ2 3.22Å
440	K	91.4	Very high	91.4	Very high	22 Å²	22	75.4 Å²	75.4	10%	0.096	34%	0.34	C	S	.	.	H	α-helix	trans	-59.1	-41.6	176.8	-170.9	176	178.3	-175.9	0	112.2	D92 E385 F436 N437 Q442 W443 L444	D92-K440 IonicContact OD1-NZ 2.61Å; D92-K440 PolarHBondContact OD1-NZ 3.3Å; D92-K440 IonicContact OD2-NZ 2.64Å; D92-K440 PolarHBondContact OD2-NZ 3.22Å; E385-K440 PolarHBondContact O-NZ 3.46Å; F436-K440 HydrophobicContact CE1-CD 4.23Å; F436-K440 HydrophobicContact CZ-CD 4.11Å; F436-K440 VanDerWaalsContact O-CB 3.25Å; F436-K440 WeakPolarHBondContact O-CB 3.37Å; F436-K440 PolarHBondContact O-N 3.41Å; N437-K440 PolarHBondContact O-N 2.93Å; K440-Q442 PolarHBondContact O-N 2.75Å; K440-W443 HydrophobicContact CB-CE3 4.05Å; K440-W443 HydrophobicContact CB-CZ3 4.05Å; K440-W443 HydrophobicContact CG-CE3 4.19Å; K440-W443 HydrophobicContact CG-CZ3 4.35Å; K440-W443 PolarHBondContact O-N 2.89Å; K440-L444 HydrophobicContact CG-CD1 4.13Å; K440-L444 WeakPolarHBondContact O-CG 3.4Å; K440-L444 PolarHBondContact O-N 3.2Å
441	Q	88.5	Confident	90.9	Very high	67 Å²	67	73.5 Å²	73.5	31%	0.313	34%	0.336	S	S	.	.	H	α-helix	trans	-60.7	-33.1	173.2	-65.6	-55.8	-32.7	0	0	112.5	N437 E439 M445	N437-Q441 WeakPolarHBondContact O-CG 3.05Å; N437-Q441 PolarHBondContact O-N 3.35Å; E439-Q441 VanDerWaalsContact C-N 3.32Å; E439-Q441 PolarHBondContact O-N 3.39Å; Q441-M445 WeakPolarHBondContact O-CG 3.5Å; Q441-M445 PolarHBondContact O-N 3.43Å
442	Q	89.8	Confident	90.4	Very high	107 Å²	107	69.1 Å²	69.1	50%	0.5	32%	0.324	S	S	.	.	H	α-helix	trans	-74.4	-30.8	176.4	-64.7	176.2	-1.5	0	0	113.2	K438 E439 K440 L444 M445	K438-Q442 WeakPolarHBondContact O-CG 3.43Å; K438-Q442 PolarHBondContact O-N 3.18Å; E439-Q442 WeakPolarHBondContact O-CA 3.45Å; E439-Q442 WeakPolarHBondContact O-CB 3.5Å; E439-Q442 PolarHBondContact O-N 3.2Å; K440-Q442 PolarHBondContact O-N 2.75Å; Q442-L444 VanDerWaalsContact C-N 3.33Å; Q442-M445 HydrophobicContact CB-CE 4.46Å; Q442-M445 HydrophobicContact CG-CE 4.24Å
443	W	87	Confident	89.7	Confident	57 Å²	57	71.8 Å²	71.8	22%	0.216	34%	0.338	C	S	.	.	H	α-helix	trans	-76.6	-22.9	178	-50.3	-26.3	0	0	0	113.3	L380 R383 F436 E439 K440	L380-W443 HydrophobicContact CD1-CH2 3.77Å; L380-W443 HydrophobicContact CD1-CZ2 3.9Å; L380-W443 HydrophobicContact CG-CZ2 4.47Å; R383-W443 VanDerWaalsContact CA-CZ3 3.47Å; R383-W443 HydrophobicContact CB-CD2 3.96Å; R383-W443 HydrophobicContact CB-CE3 3.71Å; R383-W443 HydrophobicContact CB-CH2 3.99Å; R383-W443 HydrophobicContact CB-CZ2 4.21Å; R383-W443 HydrophobicContact CB-CZ3 3.75Å; R383-W443 HydrophobicContact CG-CD2 3.84Å; R383-W443 HydrophobicContact CG-CE3 4.1Å; R383-W443 HydrophobicContact CG-CG 4.46Å; R383-W443 HydrophobicContact CG-CH2 4.05Å; R383-W443 HydrophobicContact CG-CZ2 3.76Å; R383-W443 HydrophobicContact CG-CZ3 4.22Å; F436-W443 HydrophobicContact CD2-CH2 4.28Å; F436-W443 HydrophobicContact CE2-CH2 4.19Å; F436-W443 HydrophobicContact CE2-CZ3 4.1Å; E439-W443 HydrophobicContact CB-CH2 4.19Å; E439-W443 HydrophobicContact CB-CZ2 3.47Å; E439-W443 VanDerWaalsContact CB-CZ2 3.47Å; E439-W443 VanDerWaalsContact O-CG 3.25Å; E439-W443 PolarHBondContact O-N 2.93Å; E439-W443 PolarHBondContact O-NE1 2.98Å; E439-W443 WeakPolarHBondContact OE2-CZ2 3.22Å; K440-W443 HydrophobicContact CB-CE3 4.05Å; K440-W443 HydrophobicContact CB-CZ3 4.05Å; K440-W443 HydrophobicContact CG-CE3 4.19Å; K440-W443 HydrophobicContact CG-CZ3 4.35Å; K440-W443 PolarHBondContact O-N 2.89Å
444	L	75.1	Confident	89	Confident	100 Å²	100	77.5 Å²	77.5	52%	0.524	37%	0.365	S	S	.	.	H	α-helix	trans	-91.7	-12.7	-178.3	-67.3	175.1	0	0	0	113.7	V79 K440 Q442	V79-L444 HydrophobicContact CG1-CD1 4.24Å; K440-L444 HydrophobicContact CG-CD1 4.13Å; K440-L444 WeakPolarHBondContact O-CG 3.4Å; K440-L444 PolarHBondContact O-N 3.2Å; Q442-L444 VanDerWaalsContact C-N 3.33Å
445	M	64.3	Low	88.3	Confident	200 Å²	200	75.7 Å²	75.7	99%	0.985	36%	0.357	S	S	*	.			trans	-79	0	165	-71.6	-171.8	-71.4	0	0	110.2	Q441 Q442	Q441-M445 WeakPolarHBondContact O-CG 3.5Å; Q441-M445 PolarHBondContact O-N 3.43Å; Q442-M445 HydrophobicContact CB-CE 4.46Å; Q442-M445 HydrophobicContact CG-CE 4.24Å

Retrieved 445 of 445 residues in 999.4 ms (Link to these results)

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