A0A5K4F7E3_SCHMA Loading...

Egg protein CP391S-like protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F7E3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 341 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.3	Very low	49.2	Very low	244 Å²	244	135.2 Å²	135.2	100%	1.202	72%	0.723	S	S	*	*				0	67.1	0	-68.8	165.2	86.6	0	0	112
2	K	44.6	Very low	50.6	Low	203 Å²	203	132.3 Å²	132.3	88%	0.883	71%	0.706	S	S	*	*			trans	-126.6	-2.5	178.7	-96.4	-176.3	176.9	179	0	116.1
3	S	47.2	Very low	51.8	Low	103 Å²	103	129.5 Å²	129.5	72%	0.72	69%	0.691	S	S	*	*	S	Bend	trans	-81.5	-27.9	-178.9	177.8	0	0	0	0	114	C5	S3-C5 VanDerWaalsContact C-N 3.29Å; S3-C5 PolarHBondContact O-N 3.25Å
4	N	48	Very low	52.9	Low	137 Å²	137	131.9 Å²	131.9	73%	0.733	69%	0.687	S	S	*	*	H	α-helix	trans	-71.9	-12.4	-174.2	-79.4	-2	0	0	0	115.9
5	C	44.8	Very low	53.4	Low	103 Å²	103	129.7 Å²	129.7	70%	0.696	68%	0.676	S	S	*	*	H	α-helix	trans	-81.6	-33	-174.7	-144.2	0	0	0	0	112.8	S3 L9	S3-C5 VanDerWaalsContact C-N 3.29Å; S3-C5 PolarHBondContact O-N 3.25Å; C5-L9 PolarHBondContact O-N 2.96Å
6	S	48	Very low	54	Low	81 Å²	81	126.4 Å²	126.4	57%	0.566	66%	0.658	S	S	*	*	H	α-helix	trans	-73.6	-40.6	-175.2	-176.8	0	0	0	0	112.8	R8 L9 L10	S6-R8 PolarHBondContact O-N 3.18Å; S6-L9 PolarHBondContact O-N 3.29Å; S6-L10 PolarHBondContact O-N 3.39Å
7	C	49	Very low	54.3	Low	93 Å²	93	124.4 Å²	124.4	63%	0.628	65%	0.647	S	S	*	*	H	α-helix	trans	-62.2	-40.8	175.4	-89.4	0	0	0	0	112.6	L9 L10 T11	C7-L9 VanDerWaalsContact C-N 3.33Å; C7-L9 PolarHBondContact O-N 3.44Å; C7-L10 PolarHBondContact O-N 3.43Å; C7-T11 PolarHBondContact O-N 3.46Å; C7-T11 PolarHBondContact O-OG1 3.16Å
8	R	46.4	Very low	54.5	Low	197 Å²	197	120.1 Å²	120.1	74%	0.743	63%	0.628	S	S	*	*	H	α-helix	trans	-63.4	-38.5	-179.7	-77.1	-171.5	176.3	-165.5	-0.8	112.5	S6 T11 L12	S6-R8 PolarHBondContact O-N 3.18Å; R8-T11 WeakPolarHBondContact CA-OG1 3.3Å; R8-T11 PolarHBondContact O-OG1 3.02Å; R8-L12 WeakPolarHBondContact O-CB 3.46Å; R8-L12 PolarHBondContact O-N 2.92Å
9	L	53	Low	54.4	Low	126 Å²	126	119.2 Å²	119.2	66%	0.66	62%	0.623	S	S	*	*	H	α-helix	trans	-69.3	-40.9	179.7	-156.9	79.3	0	0	0	111.7	C5 S6 C7 L12 L13	C5-L9 PolarHBondContact O-N 2.96Å; S6-L9 PolarHBondContact O-N 3.29Å; C7-L9 VanDerWaalsContact C-N 3.33Å; C7-L9 PolarHBondContact O-N 3.44Å; L9-L12 PolarHBondContact O-N 3.41Å; L9-L13 WeakPolarHBondContact O-CB 3.29Å; L9-L13 PolarHBondContact O-N 2.91Å
10	L	57	Low	54.1	Low	117 Å²	117	118.1 Å²	118.1	61%	0.613	62%	0.617	S	S	*	*	H	α-helix	trans	-64.4	-43.2	175.3	-94	148.5	0	0	0	112.1	S6 C7 L12 L13 Y14	S6-L10 PolarHBondContact O-N 3.39Å; C7-L10 PolarHBondContact O-N 3.43Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 3.47Å; L10-L13 PolarHBondContact O-N 3.35Å; L10-Y14 WeakPolarHBondContact O-CB 3.36Å; L10-Y14 PolarHBondContact O-N 2.98Å
11	T	63.3	Low	53.9	Low	83 Å²	83	121.2 Å²	121.2	51%	0.509	62%	0.622	S	S	.	*	H	α-helix	trans	-64.2	-37.7	175	44.8	0	0	0	0	112.2	C7 R8 L15	C7-T11 PolarHBondContact O-N 3.46Å; C7-T11 PolarHBondContact O-OG1 3.16Å; R8-T11 WeakPolarHBondContact CA-OG1 3.3Å; R8-T11 PolarHBondContact O-OG1 3.02Å; T11-L15 WeakPolarHBondContact O-CB 3.33Å; T11-L15 WeakPolarHBondContact O-CD1 3.46Å; T11-L15 WeakPolarHBondContact O-CG 3.5Å; T11-L15 PolarHBondContact O-N 2.91Å
12	L	65.9	Low	54.1	Low	100 Å²	100	115.1 Å²	115.1	52%	0.524	59%	0.594	S	S	.	*	H	α-helix	trans	-67.5	-43	177	-167.4	79	0	0	0	111.2	R8 L9 L10 L15 I16	R8-L12 WeakPolarHBondContact O-CB 3.46Å; R8-L12 PolarHBondContact O-N 2.92Å; L9-L12 PolarHBondContact O-N 3.41Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 3.47Å; L12-L15 PolarHBondContact O-N 3.46Å; L12-I16 HydrophobicContact CD2-CD1 4.49Å; L12-I16 HydrophobicContact CG-CD1 4.17Å; L12-I16 VanDerWaalsContact O-CG1 3.28Å; L12-I16 WeakPolarHBondContact O-CG1 3.38Å; L12-I16 PolarHBondContact O-N 3.49Å
13	L	66.2	Low	54.2	Low	97 Å²	97	114.1 Å²	114.1	51%	0.508	59%	0.59	S	S	.	*	H	α-helix	trans	-63.8	-42.9	177.3	-157.5	88.6	0	0	0	111.2	L9 L10 I16 I17	L9-L13 WeakPolarHBondContact O-CB 3.29Å; L9-L13 PolarHBondContact O-N 2.91Å; L10-L13 PolarHBondContact O-N 3.35Å; L13-I16 PolarHBondContact O-N 3.26Å; L13-I17 HydrophobicContact CD2-CD1 4.2Å; L13-I17 HydrophobicContact CG-CD1 4.24Å; L13-I17 VanDerWaalsContact O-CG1 3.28Å; L13-I17 WeakPolarHBondContact O-CG1 3.33Å; L13-I17 PolarHBondContact O-N 2.89Å
14	Y	66.4	Low	54.2	Low	162 Å²	162	113.8 Å²	113.8	64%	0.635	58%	0.577	S	S	*	*	H	α-helix	trans	-63.8	-42.6	175.3	-172.6	-99	0	0	0	111.6	L10 I16 I17 V18	L10-Y14 WeakPolarHBondContact O-CB 3.36Å; L10-Y14 PolarHBondContact O-N 2.98Å; Y14-I16 VanDerWaalsContact C-N 3.35Å; Y14-I16 PolarHBondContact O-N 2.9Å; Y14-I17 PolarHBondContact O-N 3.33Å; Y14-V18 HydrophobicContact CD1-CG2 3.94Å; Y14-V18 HydrophobicContact CE1-CG2 3.61Å; Y14-V18 HydrophobicContact CE2-CG2 4.29Å; Y14-V18 HydrophobicContact CG-CG2 4.42Å; Y14-V18 WeakPolarHBondContact O-CB 3.27Å; Y14-V18 VanDerWaalsContact O-CG2 3.25Å; Y14-V18 WeakPolarHBondContact O-CG2 3.31Å; Y14-V18 PolarHBondContact O-N 3.27Å
15	L	60.1	Low	54.3	Low	99 Å²	99	114.5 Å²	114.5	52%	0.518	57%	0.571	S	S	.	*	H	α-helix	trans	-59.8	-43.2	173.2	-86.3	158	0	0	0	111.8	T11 L12 V18 L19	T11-L15 WeakPolarHBondContact O-CB 3.33Å; T11-L15 WeakPolarHBondContact O-CD1 3.46Å; T11-L15 WeakPolarHBondContact O-CG 3.5Å; T11-L15 PolarHBondContact O-N 2.91Å; L12-L15 PolarHBondContact O-N 3.46Å; L15-V18 PolarHBondContact O-N 2.94Å; L15-L19 WeakPolarHBondContact O-CB 3.49Å; L15-L19 WeakPolarHBondContact O-CD1 3.4Å; L15-L19 WeakPolarHBondContact O-CG 3.26Å; L15-L19 PolarHBondContact O-N 2.91Å
16	I	63.6	Low	55	Low	77 Å²	77	112 Å²	112	40%	0.395	55%	0.553	S	S	.	*	H	α-helix	trans	-65.6	-44.7	176.7	-68.5	164.3	0	0	0	110.7	L12 L13 Y14 L19 L20	L12-I16 HydrophobicContact CD2-CD1 4.49Å; L12-I16 HydrophobicContact CG-CD1 4.17Å; L12-I16 VanDerWaalsContact O-CG1 3.28Å; L12-I16 WeakPolarHBondContact O-CG1 3.38Å; L12-I16 PolarHBondContact O-N 3.49Å; L13-I16 PolarHBondContact O-N 3.26Å; Y14-I16 VanDerWaalsContact C-N 3.35Å; Y14-I16 PolarHBondContact O-N 2.9Å; I16-L19 PolarHBondContact O-N 3.42Å; I16-L20 HydrophobicContact CG2-CD1 3.69Å; I16-L20 HydrophobicContact CG2-CG 4.15Å; I16-L20 VanDerWaalsContact O-CB 3.31Å; I16-L20 WeakPolarHBondContact O-CB 3.41Å; I16-L20 WeakPolarHBondContact O-CG 3.2Å; I16-L20 PolarHBondContact O-N 3.27Å
17	I	59.9	Low	56	Low	92 Å²	92	109 Å²	109	47%	0.472	53%	0.531	S	S	.	.	H	α-helix	trans	-62.8	-45	177.8	-68.8	165.5	0	0	0	110.3	L13 Y14 L20 Y21	L13-I17 HydrophobicContact CD2-CD1 4.2Å; L13-I17 HydrophobicContact CG-CD1 4.24Å; L13-I17 VanDerWaalsContact O-CG1 3.28Å; L13-I17 WeakPolarHBondContact O-CG1 3.33Å; L13-I17 PolarHBondContact O-N 2.89Å; Y14-I17 PolarHBondContact O-N 3.33Å; I17-L20 PolarHBondContact O-N 2.95Å; I17-Y21 WeakPolarHBondContact O-CB 3.27Å; I17-Y21 PolarHBondContact O-N 3.27Å
18	V	56.3	Low	57.2	Low	48 Å²	48	110.6 Å²	110.6	29%	0.291	52%	0.524	S	S	.	.	H	α-helix	trans	-64.8	-40.1	176.3	171.3	0	0	0	0	111.1	Y14 L15 Y21 N22	Y14-V18 HydrophobicContact CD1-CG2 3.94Å; Y14-V18 HydrophobicContact CE1-CG2 3.61Å; Y14-V18 HydrophobicContact CE2-CG2 4.29Å; Y14-V18 HydrophobicContact CG-CG2 4.42Å; Y14-V18 WeakPolarHBondContact O-CB 3.27Å; Y14-V18 VanDerWaalsContact O-CG2 3.25Å; Y14-V18 WeakPolarHBondContact O-CG2 3.31Å; Y14-V18 PolarHBondContact O-N 3.27Å; L15-V18 PolarHBondContact O-N 2.94Å; V18-Y21 PolarHBondContact O-N 3.18Å; V18-N22 WeakPolarHBondContact O-CB 3.31Å; V18-N22 PolarHBondContact O-N 3.41Å; V18-N22 PolarHBondContact O-ND2 2.93Å
19	L	52.5	Low	58.9	Low	103 Å²	103	101.2 Å²	101.2	54%	0.539	49%	0.489	S	S	.	.	H	α-helix	trans	-63.3	-46.4	174.7	-79.4	164.8	0	0	0	111.2	L15 I16 N22 F23	L15-L19 WeakPolarHBondContact O-CB 3.49Å; L15-L19 WeakPolarHBondContact O-CD1 3.4Å; L15-L19 WeakPolarHBondContact O-CG 3.26Å; L15-L19 PolarHBondContact O-N 2.91Å; I16-L19 PolarHBondContact O-N 3.42Å; L19-N22 PolarHBondContact O-N 3.49Å; L19-F23 WeakPolarHBondContact O-CB 3.41Å; L19-F23 PolarHBondContact O-N 3.46Å
20	L	49.6	Very low	60.2	Low	97 Å²	97	96.6 Å²	96.6	51%	0.508	47%	0.467	S	S	.	.	H	α-helix	trans	-64.6	-40.6	176.7	-71.9	171.4	0	0	0	111.3	I16 I17 F23 H24	I16-L20 HydrophobicContact CG2-CD1 3.69Å; I16-L20 HydrophobicContact CG2-CG 4.15Å; I16-L20 VanDerWaalsContact O-CB 3.31Å; I16-L20 WeakPolarHBondContact O-CB 3.41Å; I16-L20 WeakPolarHBondContact O-CG 3.2Å; I16-L20 PolarHBondContact O-N 3.27Å; I17-L20 PolarHBondContact O-N 2.95Å; L20-F23 PolarHBondContact O-N 2.88Å; L20-H24 WeakPolarHBondContact O-CB 3.47Å; L20-H24 PolarHBondContact O-CD2 3.26Å; L20-H24 VanDerWaalsContact O-CD2 3.3Å; L20-H24 PolarHBondContact O-N 3.39Å
21	Y	50.5	Low	61.3	Low	184 Å²	184	95 Å²	95	72%	0.722	46%	0.456	S	S	*	.	H	α-helix	trans	-68.2	-40.2	177.9	-154.2	-92.3	0	0	0	111.5	I17 V18 H24	I17-Y21 WeakPolarHBondContact O-CB 3.27Å; I17-Y21 PolarHBondContact O-N 3.27Å; V18-Y21 PolarHBondContact O-N 3.18Å; Y21-H24 PolarHBondContact O-N 3.44Å
22	N	44.6	Very low	62.1	Low	116 Å²	116	92.2 Å²	92.2	62%	0.62	44%	0.437	S	S	*	.	H	α-helix	trans	-69.2	-33.2	174.2	-75.6	-19.7	0	0	0	112.2	V18 L19 H24	V18-N22 WeakPolarHBondContact O-CB 3.31Å; V18-N22 PolarHBondContact O-N 3.41Å; V18-N22 PolarHBondContact O-ND2 2.93Å; L19-N22 PolarHBondContact O-N 3.49Å; N22-H24 VanDerWaalsContact C-N 3.29Å
23	F	45.4	Very low	62.7	Low	181 Å²	181	91.4 Å²	91.4	79%	0.794	43%	0.433	S	S	*	.	H	α-helix	trans	-69.5	-28.5	173.7	-124.7	-92	0	0	0	112.2	L19 L20	L19-F23 WeakPolarHBondContact O-CB 3.41Å; L19-F23 PolarHBondContact O-N 3.46Å; L20-F23 PolarHBondContact O-N 2.88Å
24	H	47.7	Very low	63.3	Low	97 Å²	97	91.3 Å²	91.3	45%	0.449	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	9.1	-176.5	-88	-59.5	0	0	0	115.6	L20 Y21 N22 C26 Y311	L20-H24 WeakPolarHBondContact O-CB 3.47Å; L20-H24 PolarHBondContact O-CD2 3.26Å; L20-H24 VanDerWaalsContact O-CD2 3.3Å; L20-H24 PolarHBondContact O-N 3.39Å; Y21-H24 PolarHBondContact O-N 3.44Å; N22-H24 VanDerWaalsContact C-N 3.29Å; H24-C26 PolarHBondContact O-N 3.25Å; H24-Y311 AromaticContact NE2-CE1 3.86Å
25	Y	50.4	Low	64	Low	152 Å²	152	84.7 Å²	84.7	60%	0.596	41%	0.405	S	S	*	.			trans	-73.6	65.3	164.7	-155.5	-89.5	0	0	0	109.8	Q27	Y25-Q27 HydrophobicContact CD1-CG 4.35Å; Y25-Q27 PolarHBondContact O-N 3.42Å
26	C	59.3	Low	64.9	Low	49 Å²	49	82.1 Å²	82.1	33%	0.331	39%	0.391	S	S	.	.			trans	-59.6	112	164.6	-79	0	0	0	0	106.9	H24 Y28	H24-C26 PolarHBondContact O-N 3.25Å; C26-Y28 PolarHBondContact O-N 3.42Å
27	Q	69.2	Low	65.9	Low	20 Å²	20	85 Å²	85	9%	0.093	41%	0.407	C	S	.	.			trans	-59.2	138.8	178.4	-63.7	179.5	-55.3	0	0	108.6	Y25 I29 C30 F193 Q194	Y25-Q27 HydrophobicContact CD1-CG 4.35Å; Y25-Q27 PolarHBondContact O-N 3.42Å; Q27-I29 HydrophobicContact CB-CG2 4.17Å; Q27-I29 PolarHBondContact O-N 3.35Å; Q27-I29 VanDerWaalsContact O-N 3.11Å; Q27-C30 WeakPolarHBondContact O-CA 3.47Å; Q27-C30 WeakPolarHBondContact O-CB 3.24Å; Q27-C30 PolarHBondContact O-N 3.26Å; Q27-F193 HydrophobicContact CB-CD1 4.36Å; Q27-F193 HydrophobicContact CG-CD1 4.49Å; Q27-Q194 VanDerWaalsContact OE1-N 3.15Å
28	Y	74.6	Confident	67.1	Low	126 Å²	126	83.4 Å²	83.4	49%	0.494	40%	0.395	S	S	.	.	H	α-helix	trans	-55.8	-36.2	-171	-178.2	-102	0	0	0	113.1	C26 C30 E31 H32 L35 Y54	C26-Y28 PolarHBondContact O-N 3.42Å; Y28-C30 VanDerWaalsContact C-N 3.27Å; Y28-C30 PolarHBondContact O-N 2.88Å; Y28-E31 PolarHBondContact O-N 2.96Å; Y28-H32 AromaticContact CD2-CE1 3.97Å; Y28-H32 AromaticContact CD2-ND1 3.86Å; Y28-H32 AromaticContact CE1-ND1 3.97Å; Y28-H32 AromaticContact CE2-CE1 3.42Å; Y28-H32 VanDerWaalsContact CE2-CE1 3.42Å; Y28-H32 WeakPolarHBondContact CE2-CE1 3.41Å; Y28-H32 AromaticContact CE2-ND1 3.6Å; Y28-H32 AromaticContact CZ-CE1 3.69Å; Y28-H32 AromaticContact CZ-ND1 3.65Å; Y28-H32 PolarHBondContact O-N 3.45Å; Y28-H32 PolarHBondContact O-ND1 2.84Å; Y28-H32 VanDerWaalsContact O-ND1 3.08Å; Y28-L35 HydrophobicContact CD1-CD1 3.47Å; Y28-L35 VanDerWaalsContact CD1-CD1 3.47Å; Y28-L35 HydrophobicContact CE1-CD1 3.35Å; Y28-Y54 HydrophobicContact CD1-CE2 4.08Å
29	I	80.6	Confident	68.7	Low	0 Å²	0	85 Å²	85	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-61.6	-28	173.6	-167.6	166.2	0	0	0	113.9	Q27 E31 H32 L35 Y54 F193 I200 H202	Q27-I29 HydrophobicContact CB-CG2 4.17Å; Q27-I29 PolarHBondContact O-N 3.35Å; Q27-I29 VanDerWaalsContact O-N 3.11Å; I29-E31 VanDerWaalsContact C-N 3.29Å; I29-E31 PolarHBondContact O-N 2.92Å; I29-H32 CarbonylContact O-C 3.58Å; I29-H32 PolarHBondContact O-N 3.02Å; I29-L35 HydrophobicContact CD1-CB 4.5Å; I29-L35 HydrophobicContact CG1-CB 4.05Å; I29-Y54 HydrophobicContact CB-CE1 3.87Å; I29-Y54 HydrophobicContact CB-CE2 4.39Å; I29-Y54 HydrophobicContact CD1-CD1 3.79Å; I29-Y54 HydrophobicContact CD1-CE1 3.89Å; I29-Y54 HydrophobicContact CD1-CG 4.35Å; I29-Y54 HydrophobicContact CG1-CE1 4.41Å; I29-Y54 HydrophobicContact CG2-CE1 4.25Å; I29-F193 HydrophobicContact CD1-CD2 4Å; I29-F193 HydrophobicContact CD1-CE2 4.17Å; I29-F193 HydrophobicContact CG2-CB 3.68Å; I29-F193 HydrophobicContact CG2-CD1 3.7Å; I29-F193 HydrophobicContact CG2-CD2 4.01Å; I29-F193 HydrophobicContact CG2-CE1 4.39Å; I29-F193 HydrophobicContact CG2-CG 3.51Å; I29-I200 HydrophobicContact CD1-CG2 3.81Å; I29-I200 HydrophobicContact CG1-CD1 4.36Å; I29-I200 HydrophobicContact CG1-CG2 4.08Å; I29-H202 HydrophobicContact CD1-CB 4.05Å
30	C	81.3	Confident	70.4	Confident	28 Å²	28	83.9 Å²	83.9	19%	0.189	39%	0.393	C	S	.	.	H	α-helix	trans	-69.2	-27.5	176.8	-63.8	0	0	0	0	112.7	Q27 Y28 C195	Q27-C30 WeakPolarHBondContact O-CA 3.47Å; Q27-C30 WeakPolarHBondContact O-CB 3.24Å; Q27-C30 PolarHBondContact O-N 3.26Å; Y28-C30 VanDerWaalsContact C-N 3.27Å; Y28-C30 PolarHBondContact O-N 2.88Å; C30-C195 WeakPolarHBondContact CA-SG 2.94Å; C30-C195 HydrophobicContact CB-CB 3.71Å; C30-C195 WeakPolarHBondContact CB-SG 3.41Å; C30-C195 WeakPolarHBondContact SG-CA 3.25Å; C30-C195 WeakPolarHBondContact SG-CB 3.36Å; C30-C195 CovalentContact SG-SG 2.04Å; C30-C195 PolarHBondContact SG-SG 3.29Å
31	E	80.6	Confident	72.4	Confident	85 Å²	85	82.1 Å²	82.1	40%	0.397	39%	0.386	S	S	.	.	H	α-helix	trans	-88	-19.7	175.7	-66.2	-177.4	-176.8	0	0	112.5	Y28 I29 K304	Y28-E31 PolarHBondContact O-N 2.96Å; I29-E31 VanDerWaalsContact C-N 3.29Å; I29-E31 PolarHBondContact O-N 2.92Å; E31-K304 VanDerWaalsContact CD-NZ 3.34Å; E31-K304 IonicContact OE1-NZ 2.6Å; E31-K304 PolarHBondContact OE1-NZ 3.47Å; E31-K304 VanDerWaalsContact OE1-NZ 3.17Å; E31-K304 IonicContact OE2-NZ 2.57Å; E31-K304 PolarHBondContact OE2-NZ 2.78Å
32	H	78.7	Confident	74.2	Confident	24 Å²	24	73.8 Å²	73.8	11%	0.111	35%	0.354	C	S	.	.			trans	-129.8	75.8	-172	-60.5	86.3	0	0	0	110	Y28 I29 E34 L35	Y28-H32 AromaticContact CD2-CE1 3.97Å; Y28-H32 AromaticContact CD2-ND1 3.86Å; Y28-H32 AromaticContact CE1-ND1 3.97Å; Y28-H32 AromaticContact CE2-CE1 3.42Å; Y28-H32 VanDerWaalsContact CE2-CE1 3.42Å; Y28-H32 WeakPolarHBondContact CE2-CE1 3.41Å; Y28-H32 AromaticContact CE2-ND1 3.6Å; Y28-H32 AromaticContact CZ-CE1 3.69Å; Y28-H32 AromaticContact CZ-ND1 3.65Å; Y28-H32 PolarHBondContact O-N 3.45Å; Y28-H32 PolarHBondContact O-ND1 2.84Å; Y28-H32 VanDerWaalsContact O-ND1 3.08Å; I29-H32 CarbonylContact O-C 3.58Å; I29-H32 PolarHBondContact O-N 3.02Å; H32-E34 WeakPolarHBondContact CA-OE2 3.45Å; H32-E34 WeakPolarHBondContact CB-OE1 3.34Å; H32-E34 IonicContact CD2-OE1 2.74Å; H32-E34 PolarHBondContact CD2-OE1 3.34Å; H32-E34 IonicContact CG-OE1 3.17Å; H32-E34 PolarHBondContact O-N 2.99Å; H32-E34 VanDerWaalsContact O-N 3.13Å; H32-L35 HydrophobicContact CB-CD1 3.61Å; H32-L35 HydrophobicContact CB-CG 3.9Å; H32-L35 VanDerWaalsContact O-CB 3.26Å; H32-L35 WeakPolarHBondContact O-CB 3.33Å; H32-L35 WeakPolarHBondContact O-CG 3.43Å; H32-L35 PolarHBondContact O-N 3Å
33	L	78.7	Confident	76.3	Confident	82 Å²	82	70.2 Å²	70.2	43%	0.429	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-62.2	-21.6	-173.9	-60.7	-174.1	0	0	0	113.5	L35 E36 R198 I200	L33-L35 PolarHBondContact O-N 2.93Å; L33-L35 VanDerWaalsContact O-N 3.15Å; L33-E36 WeakPolarHBondContact O-CB 3.28Å; L33-E36 PolarHBondContact O-N 3.39Å; L33-E36 VanDerWaalsContact O-N 3.1Å; L33-R198 VanDerWaalsContact CD2-NH2 3.26Å; L33-I200 HydrophobicContact CD2-CD1 3.38Å; L33-I200 HydrophobicContact CD2-CG1 4.45Å
34	E	79.9	Confident	78.5	Confident	96 Å²	96	66 Å²	66	45%	0.449	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-58.8	-19.8	170.8	66.7	-84.5	-163.6	0	0	113.3	H32 E36 L293	H32-E34 WeakPolarHBondContact CA-OE2 3.45Å; H32-E34 WeakPolarHBondContact CB-OE1 3.34Å; H32-E34 IonicContact CD2-OE1 2.74Å; H32-E34 PolarHBondContact CD2-OE1 3.34Å; H32-E34 IonicContact CG-OE1 3.17Å; H32-E34 PolarHBondContact O-N 2.99Å; H32-E34 VanDerWaalsContact O-N 3.13Å; E34-E36 VanDerWaalsContact C-N 3.33Å; E34-L293 HydrophobicContact CG-CD1 4.3Å
35	L	79.4	Confident	80.7	Confident	22 Å²	22	64.7 Å²	64.7	12%	0.115	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-77.3	-17	177.1	-60.2	176.8	0	0	0	113.7	Y28 I29 H32 L33 N37 Y38 Y54 H202	Y28-L35 HydrophobicContact CD1-CD1 3.47Å; Y28-L35 VanDerWaalsContact CD1-CD1 3.47Å; Y28-L35 HydrophobicContact CE1-CD1 3.35Å; I29-L35 HydrophobicContact CD1-CB 4.5Å; I29-L35 HydrophobicContact CG1-CB 4.05Å; H32-L35 HydrophobicContact CB-CD1 3.61Å; H32-L35 HydrophobicContact CB-CG 3.9Å; H32-L35 VanDerWaalsContact O-CB 3.26Å; H32-L35 WeakPolarHBondContact O-CB 3.33Å; H32-L35 WeakPolarHBondContact O-CG 3.43Å; H32-L35 PolarHBondContact O-N 3Å; L33-L35 PolarHBondContact O-N 2.93Å; L33-L35 VanDerWaalsContact O-N 3.15Å; L35-N37 PolarHBondContact O-N 2.93Å; L35-Y38 HydrophobicContact CD2-CD2 3.97Å; L35-Y38 HydrophobicContact CD2-CG 4.01Å; L35-Y38 PolarHBondContact O-N 2.9Å; L35-Y54 HydrophobicContact CB-CD2 4.13Å; L35-Y54 HydrophobicContact CB-CG 4.46Å; L35-Y54 HydrophobicContact CD1-CD2 3.92Å; L35-Y54 HydrophobicContact CD1-CE2 3.95Å; L35-Y54 HydrophobicContact CG-CD2 4.45Å; L35-H202 PolarHBondContact O-ND1 3.27Å
36	E	80.8	Confident	82.8	Confident	45 Å²	45	63.4 Å²	63.4	21%	0.21	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-40	179.2	-179.8	170.3	-178.3	0	0	112.1	L33 E34 R198 I200 H202	L33-E36 WeakPolarHBondContact O-CB 3.28Å; L33-E36 PolarHBondContact O-N 3.39Å; L33-E36 VanDerWaalsContact O-N 3.1Å; E34-E36 VanDerWaalsContact C-N 3.33Å; E36-R198 IonicContact OE2-CZ 2.67Å; E36-R198 IonicContact OE2-NH1 3.33Å; E36-R198 IonicContact OE2-NH2 2.94Å; E36-R198 PolarHBondContact OE2-NH2 3.38Å; E36-I200 HydrophobicContact CB-CG2 3.93Å; E36-I200 HydrophobicContact CG-CG2 3.69Å; E36-H202 PolarHBondContact O-ND1 3.09Å
37	N	83.4	Confident	84.5	Confident	138 Å²	138	63.6 Å²	63.6	74%	0.738	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	26.2	178.3	-63.8	-64.7	0	0	0	112.2	L35 N39	L35-N37 PolarHBondContact O-N 2.93Å; N37-N39 PolarHBondContact O-N 3.46Å
38	Y	84.9	Confident	85.7	Confident	58 Å²	58	64 Å²	64	23%	0.227	32%	0.324	C	S	.	.			trans	-70.1	119.6	-175.9	-178.3	-86.2	0	0	0	111.5	L35 L52 H53 I253	L35-Y38 HydrophobicContact CD2-CD2 3.97Å; L35-Y38 HydrophobicContact CD2-CG 4.01Å; L35-Y38 PolarHBondContact O-N 2.9Å; Y38-L52 HydrophobicContact CE1-CB 4.46Å; Y38-L52 HydrophobicContact CE1-CD2 3.94Å; Y38-L52 HydrophobicContact CE1-CG 3.99Å; Y38-H53 WeakPolarHBondContact O-CA 3.19Å; Y38-I253 WeakPolarHBondContact OH-CD1 3.29Å
39	N	89.6	Confident	86.7	Confident	83 Å²	83	58.8 Å²	58.8	44%	0.444	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	124.9	176.8	169.9	13.6	0	0	0	108.2	N37 L52 H53	N37-N39 PolarHBondContact O-N 3.46Å; N39-L52 CarbonylContact C-O 3.57Å; N39-L52 WeakPolarHBondContact CA-O 3.14Å; N39-H53 PolarHBondContact OD1-CE1 3.48Å; N39-H53 VanDerWaalsContact OD1-CE1 3.3Å
40	K	89.7	Confident	87.3	Confident	79 Å²	79	58.9 Å²	58.9	34%	0.343	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	111.8	175.3	-167.1	167.6	-177	-177.7	0	109.9	I42 S51 L52 I251	K40-I42 PolarHBondContact O-N 3.31Å; K40-S51 CarbonylContact O-C 3.58Å; K40-S51 WeakPolarHBondContact O-CA 3.4Å; K40-L52 PolarHBondContact N-O 2.84Å; K40-L52 PolarHBondContact O-N 3.44Å; K40-I251 HydrophobicContact CD-CB 3.76Å; K40-I251 HydrophobicContact CD-CG2 3.47Å; K40-I251 VanDerWaalsContact CD-CG2 3.47Å; K40-I251 VanDerWaalsContact CE-CG2 3.45Å; K40-I251 HydrophobicContact CG-CG2 3.79Å; K40-I251 VanDerWaalsContact NZ-CA 3.31Å; K40-I251 PolarHBondContact NZ-O 3.35Å
41	V	90.7	Very high	87.9	Confident	59 Å²	59	57.5 Å²	57.5	36%	0.358	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	122.8	172.9	-178.4	0	0	0	0	108.8	E44	V41-E44 HydrophobicContact CG1-CB 3.91Å
42	I	88.9	Confident	88.4	Confident	9 Å²	9	54 Å²	54	5%	0.046	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-50.5	178.9	-59.6	-177.2	0	0	0	109	K40 D50 L52 L57 I250 I251 D269	K40-I42 PolarHBondContact O-N 3.31Å; I42-D50 HydrophobicContact CB-CB 4.45Å; I42-D50 PolarHBondContact N-O 3.47Å; I42-L52 HydrophobicContact CD1-CB 4.22Å; I42-L52 HydrophobicContact CG1-CB 4.49Å; I42-L57 HydrophobicContact CD1-CD1 3.6Å; I42-I250 HydrophobicContact CG2-CB 4.48Å; I42-I250 HydrophobicContact CG2-CD1 3.76Å; I42-I250 WeakPolarHBondContact O-CD1 3.5Å; I42-I251 HydrophobicContact CD1-CD1 4.18Å; I42-I251 HydrophobicContact CG1-CD1 4.44Å; I42-I251 HydrophobicContact CG1-CG2 4.04Å; I42-D269 WeakPolarHBondContact CG2-O 3.41Å
43	H	88.4	Confident	89.1	Confident	41 Å²	41	53.3 Å²	53.3	19%	0.19	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	142.7	179.3	-175.3	66.1	0	0	0	110.1	N45 Y48 R49 D50	H43-N45 PolarHBondContact NE2-ND2 3.36Å; H43-Y48 AromaticContact CD2-CD1 3.67Å; H43-Y48 AromaticContact CD2-CE1 3.98Å; H43-R49 CarbonylContact O-C 3.52Å; H43-R49 WeakPolarHBondContact O-CA 3.25Å; H43-D50 PolarHBondContact N-O 2.86Å; H43-D50 PolarHBondContact O-N 3.32Å
44	E	92.5	Very high	89.5	Confident	94 Å²	94	50.1 Å²	50.1	44%	0.439	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	134.2	175.8	-168.7	174.9	119.6	0	0	110.2	V41 Y48 R49 W210	V41-E44 HydrophobicContact CG1-CB 3.91Å; E44-Y48 CarbonylContact C-O 3.58Å; E44-Y48 WeakPolarHBondContact CA-O 3.21Å; E44-R49 HydrophobicContact CB-CG 4.35Å; E44-R49 HydrophobicContact CG-CB 4.13Å; E44-R49 HydrophobicContact CG-CG 4Å; E44-R49 WeakPolarHBondContact OE2-CD 3.39Å; E44-R49 IonicContact OE2-NE 2.7Å; E44-R49 PolarHBondContact OE2-NE 2.82Å; E44-W210 HydrophobicContact CG-CZ2 4.01Å
45	N	93.4	Very high	89.9	Confident	68 Å²	68	46.7 Å²	46.7	36%	0.364	24%	0.242	S	C	.	.			trans	-141.2	-168.1	169.4	68.2	51.2	0	0	0	109.7	H43 S47 Y48 W210	H43-N45 PolarHBondContact NE2-ND2 3.36Å; N45-S47 PolarHBondContact O-N 3.46Å; N45-S47 PolarHBondContact OD1-N 3.29Å; N45-S47 PolarHBondContact OD1-OG 2.83Å; N45-Y48 PolarHBondContact N-O 2.9Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.28Å; N45-Y48 PolarHBondContact OD1-N 2.88Å; N45-W210 VanDerWaalsContact O-CH2 3.22Å; N45-W210 WeakPolarHBondContact O-CH2 3.28Å
46	T	93.7	Very high	90.6	Very high	126 Å²	126	45.6 Å²	45.6	77%	0.773	24%	0.236	S	C	*	.	S	Bend	trans	-68.9	-17	-175.2	52.9	0	0	0	0	115.1	L62	T46-L62 WeakPolarHBondContact O-CD1 3.2Å
47	S	95	Very high	91.1	Very high	52 Å²	52	43.6 Å²	43.6	36%	0.364	23%	0.227	S	C	.	.	S	Bend	trans	-130.5	-3.8	-173.1	65.3	0	0	0	0	114.2	N45 L62	N45-S47 PolarHBondContact O-N 3.46Å; N45-S47 PolarHBondContact OD1-N 3.29Å; N45-S47 PolarHBondContact OD1-OG 2.83Å; S47-L62 PolarHBondContact O-N 2.96Å
48	Y	95.5	Very high	91.7	Very high	30 Å²	30	37 Å²	37	12%	0.118	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	137.9	-173.1	-175	-87	0	0	0	111.4	H43 E44 N45 D50 R59 I60 R61 W210 M265 D269	H43-Y48 AromaticContact CD2-CD1 3.67Å; H43-Y48 AromaticContact CD2-CE1 3.98Å; E44-Y48 CarbonylContact C-O 3.58Å; E44-Y48 WeakPolarHBondContact CA-O 3.21Å; N45-Y48 PolarHBondContact N-O 2.9Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.28Å; N45-Y48 PolarHBondContact OD1-N 2.88Å; Y48-D50 HydrophobicContact CE1-CB 3.84Å; Y48-R59 HydrophobicContact CE2-CG 3.86Å; Y48-R59 WeakPolarHBondContact OH-CD 3.33Å; Y48-R59 PolarHBondContact OH-NE 3.43Å; Y48-I60 CarbonylContact C-O 3.46Å; Y48-I60 VanDerWaalsContact CA-O 3.31Å; Y48-I60 WeakPolarHBondContact CA-O 3.47Å; Y48-R61 HydrophobicContact CD2-CG 3.74Å; Y48-R61 HydrophobicContact CE2-CG 3.83Å; Y48-W210 VanDerWaalsContact C-CH2 3.41Å; Y48-W210 WeakPolarHBondContact O-CH2 3.14Å; Y48-M265 HydrophobicContact CE2-CE 4.33Å; Y48-D269 WeakPolarHBondContact CE1-OD1 3.44Å; Y48-D269 PolarHBondContact OH-OD1 3.33Å; Y48-D269 PolarHBondContact OH-OD2 2.83Å
49	R	95.5	Very high	92.2	Very high	16 Å²	16	34.6 Å²	34.6	6%	0.06	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	135	173.5	-178.5	175.1	-177.6	-92.5	-1.5	110.4	H43 E44 S51 R59 I60 W210	H43-R49 CarbonylContact O-C 3.52Å; H43-R49 WeakPolarHBondContact O-CA 3.25Å; E44-R49 HydrophobicContact CB-CG 4.35Å; E44-R49 HydrophobicContact CG-CB 4.13Å; E44-R49 HydrophobicContact CG-CG 4Å; E44-R49 WeakPolarHBondContact OE2-CD 3.39Å; E44-R49 IonicContact OE2-NE 2.7Å; E44-R49 PolarHBondContact OE2-NE 2.82Å; R49-S51 PolarHBondContact NH1-OG 3.35Å; R49-R59 CarbonylContact O-C 3.59Å; R49-R59 WeakPolarHBondContact O-CA 3.45Å; R49-I60 HydrophobicContact CB-CB 4.21Å; R49-I60 PolarHBondContact N-O 3.3Å; R49-I60 PolarHBondContact O-N 2.79Å; R49-W210 HydrophobicContact CB-CH2 3.77Å; R49-W210 HydrophobicContact CB-CZ2 3.6Å; R49-W210 HydrophobicContact CB-CZ3 4.31Å; R49-W210 HydrophobicContact CG-CZ2 4.39Å
50	D	93.9	Very high	92.6	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	129.4	175.3	-164.4	42.7	0	0	0	109	I42 H43 Y48 L57 Q58 R59 D269	I42-D50 HydrophobicContact CB-CB 4.45Å; I42-D50 PolarHBondContact N-O 3.47Å; H43-D50 PolarHBondContact N-O 2.86Å; H43-D50 PolarHBondContact O-N 3.32Å; Y48-D50 HydrophobicContact CE1-CB 3.84Å; D50-L57 WeakPolarHBondContact OD1-CD2 3.1Å; D50-L57 WeakPolarHBondContact OD1-CG 2.84Å; D50-Q58 CarbonylContact C-O 3.57Å; D50-Q58 WeakPolarHBondContact CA-O 3.23Å; D50-R59 IonicContact OD1-NE 2.73Å; D50-R59 IonicContact OD1-NH2 3.53Å; D50-D269 WeakPolarHBondContact OD2-CB 3.19Å
51	S	93.6	Very high	93	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	135.8	-175	56.3	0	0	0	0	112	K40 R49 H53 Q58	K40-S51 CarbonylContact O-C 3.58Å; K40-S51 WeakPolarHBondContact O-CA 3.4Å; R49-S51 PolarHBondContact NH1-OG 3.35Å; S51-H53 PolarHBondContact O-CD2 3.3Å; S51-H53 PolarHBondContact OG-NE2 2.83Å; S51-Q58 PolarHBondContact N-O 3.09Å; S51-Q58 PolarHBondContact O-N 3.37Å; S51-Q58 PolarHBondContact OG-O 3.5Å; S51-Q58 PolarHBondContact OG-OE1 3Å
52	L	91.2	Very high	93.3	Very high	10 Å²	10	27.8 Å²	27.8	5%	0.052	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	130.2	176.1	-174.5	68.8	0	0	0	110.6	Y38 N39 K40 I42 L57 V222 I251 I253	Y38-L52 HydrophobicContact CE1-CB 4.46Å; Y38-L52 HydrophobicContact CE1-CD2 3.94Å; Y38-L52 HydrophobicContact CE1-CG 3.99Å; N39-L52 CarbonylContact C-O 3.57Å; N39-L52 WeakPolarHBondContact CA-O 3.14Å; K40-L52 PolarHBondContact N-O 2.84Å; K40-L52 PolarHBondContact O-N 3.44Å; I42-L52 HydrophobicContact CD1-CB 4.22Å; I42-L52 HydrophobicContact CG1-CB 4.49Å; L52-L57 HydrophobicContact CD1-CD1 4.45Å; L52-V222 HydrophobicContact CD1-CG2 4.25Å; L52-I251 HydrophobicContact CB-CD1 4.27Å; L52-I251 HydrophobicContact CD2-CD1 3.43Å; L52-I251 VanDerWaalsContact CD2-CD1 3.43Å; L52-I251 HydrophobicContact CG-CD1 4.43Å; L52-I253 HydrophobicContact CD2-CD1 4.13Å
53	H	92.1	Very high	93.7	Very high	11 Å²	11	33.9 Å²	33.9	5%	0.051	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	177.5	174.5	-58.3	-92	0	0	0	109.7	Y38 N39 S51 N55 Y56 I204	Y38-H53 WeakPolarHBondContact O-CA 3.19Å; N39-H53 PolarHBondContact OD1-CE1 3.48Å; N39-H53 VanDerWaalsContact OD1-CE1 3.3Å; S51-H53 PolarHBondContact O-CD2 3.3Å; S51-H53 PolarHBondContact OG-NE2 2.83Å; H53-N55 PolarHBondContact O-N 3.24Å; H53-Y56 CarbonylContact C-O 3.36Å; H53-Y56 WeakPolarHBondContact CA-O 3.21Å; H53-Y56 PolarHBondContact N-O 2.78Å; H53-Y56 PolarHBondContact O-N 2.88Å; H53-I204 HydrophobicContact CB-CD1 3.48Å; H53-I204 VanDerWaalsContact CB-CD1 3.48Å; H53-I204 HydrophobicContact CB-CG1 3.75Å; H53-I204 HydrophobicContact CB-CG2 4.32Å
54	Y	87.8	Confident	94.1	Very high	14 Å²	14	34.7 Å²	34.7	6%	0.055	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	121.6	174.3	178.9	-113.2	0	0	0	110.5	Y28 I29 L35 Y56 Y93 F193 H202	Y28-Y54 HydrophobicContact CD1-CE2 4.08Å; I29-Y54 HydrophobicContact CB-CE1 3.87Å; I29-Y54 HydrophobicContact CB-CE2 4.39Å; I29-Y54 HydrophobicContact CD1-CD1 3.79Å; I29-Y54 HydrophobicContact CD1-CE1 3.89Å; I29-Y54 HydrophobicContact CD1-CG 4.35Å; I29-Y54 HydrophobicContact CG1-CE1 4.41Å; I29-Y54 HydrophobicContact CG2-CE1 4.25Å; L35-Y54 HydrophobicContact CB-CD2 4.13Å; L35-Y54 HydrophobicContact CB-CG 4.46Å; L35-Y54 HydrophobicContact CD1-CD2 3.92Å; L35-Y54 HydrophobicContact CD1-CE2 3.95Å; L35-Y54 HydrophobicContact CG-CD2 4.45Å; Y54-Y56 PolarHBondContact O-N 3.49Å; Y54-Y56 VanDerWaalsContact O-N 3.1Å; Y54-Y93 HydrophobicContact CD1-CD1 4.35Å; Y54-Y93 HydrophobicContact CD1-CE1 4.41Å; Y54-Y93 WeakPolarHBondContact O-CE1 3.48Å; Y54-F193 HydrophobicContact CD1-CE2 4.43Å; Y54-F193 HydrophobicContact CD1-CZ 4.17Å; Y54-F193 AromaticContact CE1-CE1 3.97Å; Y54-F193 HydrophobicContact CE1-CE1 3.97Å; Y54-F193 HydrophobicContact CE1-CE2 4.23Å; Y54-F193 AromaticContact CE1-CZ 3.7Å; Y54-F193 HydrophobicContact CE1-CZ 3.7Å; Y54-H202 PolarHBondContact N-NE2 3.07Å
55	N	88.9	Confident	94.2	Very high	24 Å²	24	34.8 Å²	34.8	13%	0.128	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	4.7	-176.2	-69.2	-17.6	0	0	0	116.7	H53 Y93 A221 V222	H53-N55 PolarHBondContact O-N 3.24Å; N55-Y93 HydrophobicContact CB-CD1 3.74Å; N55-Y93 HydrophobicContact CB-CE1 4.42Å; N55-A221 CarbonylContact O-C 3.53Å; N55-A221 WeakPolarHBondContact O-CA 3.25Å; N55-V222 PolarHBondContact O-N 2.89Å
56	Y	92.4	Very high	94.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	143.6	-179	-76.5	-85.4	0	0	0	113.2	H53 Y54 Y92 Y93 I189 I204 F219 E220 A221	H53-Y56 CarbonylContact C-O 3.36Å; H53-Y56 WeakPolarHBondContact CA-O 3.21Å; H53-Y56 PolarHBondContact N-O 2.78Å; H53-Y56 PolarHBondContact O-N 2.88Å; Y54-Y56 PolarHBondContact O-N 3.49Å; Y54-Y56 VanDerWaalsContact O-N 3.1Å; Y56-Y92 WeakPolarHBondContact OH-CD2 3.31Å; Y56-Y93 HydrophobicContact CD2-CD1 4.02Å; Y56-Y93 AromaticContact CD2-CE1 3.72Å; Y56-Y93 HydrophobicContact CD2-CE1 3.72Å; Y56-Y93 HydrophobicContact CD2-CE2 4.29Å; Y56-Y93 HydrophobicContact CD2-CG 4.39Å; Y56-Y93 AromaticContact CD2-CZ 3.88Å; Y56-Y93 AromaticContact CE2-CD1 3.7Å; Y56-Y93 HydrophobicContact CE2-CD1 3.7Å; Y56-Y93 AromaticContact CE2-CD2 3.57Å; Y56-Y93 HydrophobicContact CE2-CD2 3.57Å; Y56-Y93 AromaticContact CE2-CE1 3.69Å; Y56-Y93 HydrophobicContact CE2-CE1 3.69Å; Y56-Y93 AromaticContact CE2-CE2 3.57Å; Y56-Y93 HydrophobicContact CE2-CE2 3.57Å; Y56-Y93 AromaticContact CE2-CG 3.61Å; Y56-Y93 HydrophobicContact CE2-CG 3.61Å; Y56-Y93 AromaticContact CE2-CZ 3.63Å; Y56-Y93 PolarHBondContact OH-N 2.67Å; Y56-I189 HydrophobicContact CD1-CD1 4.11Å; Y56-I189 HydrophobicContact CD2-CD1 3.9Å; Y56-I189 HydrophobicContact CE1-CD1 4.14Å; Y56-I189 HydrophobicContact CE2-CD1 3.91Å; Y56-I189 HydrophobicContact CG-CD1 3.98Å; Y56-I204 HydrophobicContact CD2-CD1 3.92Å; Y56-I204 HydrophobicContact CG-CD1 4.09Å; Y56-F219 HydrophobicContact CD1-CB 3.8Å; Y56-F219 HydrophobicContact CE1-CB 4.21Å; Y56-E220 WeakPolarHBondContact CA-O 3.16Å; Y56-A221 HydrophobicContact CD1-CB 4.44Å; Y56-A221 HydrophobicContact CE1-CB 4.05Å
57	L	92.6	Very high	94.1	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	124.8	160.1	-173.5	73.7	0	0	0	107.9	I42 D50 L52 F219 E220 V222 K266	I42-L57 HydrophobicContact CD1-CD1 3.6Å; D50-L57 WeakPolarHBondContact OD1-CD2 3.1Å; D50-L57 WeakPolarHBondContact OD1-CG 2.84Å; L52-L57 HydrophobicContact CD1-CD1 4.45Å; L57-F219 CarbonylContact O-C 3.5Å; L57-F219 WeakPolarHBondContact O-CA 3.12Å; L57-E220 PolarHBondContact N-O 3.29Å; L57-E220 PolarHBondContact O-N 3.37Å; L57-V222 HydrophobicContact CB-CG2 3.87Å; L57-K266 HydrophobicContact CD2-CD 4.46Å; L57-K266 HydrophobicContact CD2-CG 3.99Å
58	Q	96.2	Very high	93.8	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	117.2	172.2	177.6	-169.3	79	0	0	109.4	D50 S51 I60 I204 L205 V217 D218 F219	D50-Q58 CarbonylContact C-O 3.57Å; D50-Q58 WeakPolarHBondContact CA-O 3.23Å; S51-Q58 PolarHBondContact N-O 3.09Å; S51-Q58 PolarHBondContact O-N 3.37Å; S51-Q58 PolarHBondContact OG-O 3.5Å; S51-Q58 PolarHBondContact OG-OE1 3Å; Q58-I60 HydrophobicContact CG-CD1 4.49Å; Q58-I60 HydrophobicContact CG-CG1 4.13Å; Q58-I204 HydrophobicContact CB-CG2 4.45Å; Q58-L205 PolarHBondContact NE2-O 3.44Å; Q58-V217 HydrophobicContact CG-CG1 4.02Å; Q58-D218 CarbonylContact C-O 3.55Å; Q58-D218 WeakPolarHBondContact CA-O 3.36Å; Q58-F219 HydrophobicContact CB-CD1 4.14Å; Q58-F219 HydrophobicContact CB-CE1 4.26Å; Q58-F219 HydrophobicContact CG-CD1 4.21Å; Q58-F219 HydrophobicContact CG-CE1 3.95Å; Q58-F219 VanDerWaalsContact NE2-CE1 3.27Å
59	R	95.8	Very high	92.5	Very high	6 Å²	6	33.1 Å²	33.1	2%	0.023	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.9	173.7	-178	174	-68.8	136.6	6.4	110.2	Y48 R49 D50 R61 V217 D218 D269	Y48-R59 HydrophobicContact CE2-CG 3.86Å; Y48-R59 WeakPolarHBondContact OH-CD 3.33Å; Y48-R59 PolarHBondContact OH-NE 3.43Å; R49-R59 CarbonylContact O-C 3.59Å; R49-R59 WeakPolarHBondContact O-CA 3.45Å; D50-R59 IonicContact OD1-NE 2.73Å; D50-R59 IonicContact OD1-NH2 3.53Å; R59-R61 HydrophobicContact CG-CG 4.16Å; R59-V217 CarbonylContact O-C 3.55Å; R59-V217 WeakPolarHBondContact O-CA 3.44Å; R59-D218 HydrophobicContact CB-CB 4.49Å; R59-D218 PolarHBondContact N-O 3.23Å; R59-D218 PolarHBondContact O-N 3.33Å; R59-D269 IonicContact CZ-OD2 3.81Å; R59-D269 VanDerWaalsContact CZ-OD2 3.31Å; R59-D269 IonicContact NE-OD2 2.67Å; R59-D269 PolarHBondContact NE-OD2 3.24Å; R59-D269 IonicContact NH2-OD2 3.84Å; R59-D269 PolarHBondContact NH2-OD2 3.11Å
60	I	98	Very high	91.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130	178.8	-50.1	-176.7	0	0	0	108.5	Y48 R49 Q58 V206 P207 W210 T215 L216 V217	Y48-I60 CarbonylContact C-O 3.46Å; Y48-I60 VanDerWaalsContact CA-O 3.31Å; Y48-I60 WeakPolarHBondContact CA-O 3.47Å; R49-I60 HydrophobicContact CB-CB 4.21Å; R49-I60 PolarHBondContact N-O 3.3Å; R49-I60 PolarHBondContact O-N 2.79Å; Q58-I60 HydrophobicContact CG-CD1 4.49Å; Q58-I60 HydrophobicContact CG-CG1 4.13Å; I60-V206 HydrophobicContact CD1-CG1 4.27Å; I60-P207 HydrophobicContact CD1-CG 4.5Å; I60-W210 HydrophobicContact CB-CD2 4.39Å; I60-W210 HydrophobicContact CB-CE3 4.09Å; I60-W210 HydrophobicContact CD1-CB 4.14Å; I60-W210 HydrophobicContact CD1-CD2 4.37Å; I60-W210 HydrophobicContact CD1-CG 4Å; I60-W210 HydrophobicContact CG2-CB 3.88Å; I60-W210 HydrophobicContact CG2-CD2 3.83Å; I60-W210 HydrophobicContact CG2-CE3 3.39Å; I60-W210 HydrophobicContact CG2-CG 4.04Å; I60-W210 HydrophobicContact CG2-CZ3 4.19Å; I60-T215 HydrophobicContact CG2-CG2 3.72Å; I60-L216 WeakPolarHBondContact CA-O 3.2Å; I60-V217 HydrophobicContact CG1-CG1 4.16Å; I60-V217 HydrophobicContact CG1-CG2 4.14Å; I60-V217 HydrophobicContact CG2-CG2 4.08Å
61	R	97.6	Very high	89.7	Confident	51 Å²	51	41.8 Å²	41.8	19%	0.192	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	127.2	-178.7	-61.1	-179.4	-78.5	168.4	-7.1	109.7	Y48 R59 Q64 T215 L216 D218	Y48-R61 HydrophobicContact CD2-CG 3.74Å; Y48-R61 HydrophobicContact CE2-CG 3.83Å; R59-R61 HydrophobicContact CG-CG 4.16Å; R61-Q64 HydrophobicContact CB-CG 3.57Å; R61-T215 WeakPolarHBondContact O-CA 3.11Å; R61-L216 PolarHBondContact N-O 2.95Å; R61-L216 VanDerWaalsContact NH2-CD2 3.26Å; R61-L216 PolarHBondContact O-N 3.41Å; R61-D218 IonicContact CZ-OD2 3.37Å; R61-D218 IonicContact NE-OD2 3.89Å; R61-D218 IonicContact NH2-OD2 2.93Å; R61-D218 PolarHBondContact NH2-OD2 2.77Å
62	L	97.2	Very high	89.2	Confident	27 Å²	27	44.4 Å²	44.4	14%	0.141	26%	0.264	C	S	.	.	S	Bend	trans	-87	164.5	173.2	-57.4	-171.5	0	0	0	111.4	T46 S47 Q64 W210 G214 T215	T46-L62 WeakPolarHBondContact O-CD1 3.2Å; S47-L62 PolarHBondContact O-N 2.96Å; L62-Q64 PolarHBondContact O-N 3.37Å; L62-Q64 PolarHBondContact O-NE2 3.33Å; L62-W210 HydrophobicContact CD1-CE3 4.34Å; L62-W210 HydrophobicContact CD1-CZ3 4.21Å; L62-W210 HydrophobicContact CD2-CE3 3.79Å; L62-W210 HydrophobicContact CD2-CZ3 4.25Å; L62-W210 HydrophobicContact CG-CE3 3.95Å; L62-W210 HydrophobicContact CG-CZ3 3.89Å; L62-G214 CarbonylContact C-O 3.6Å; L62-T215 HydrophobicContact CD2-CG2 4.09Å; L62-T215 WeakPolarHBondContact CD2-OG1 3.33Å
63	N	96.2	Very high	89.3	Confident	138 Å²	138	45.1 Å²	45.1	74%	0.738	27%	0.266	S	S	*	.	S	Bend	trans	55.8	33.5	175.7	-51.6	-44.4	0	0	0	114	G214	N63-G214 PolarHBondContact N-O 3.11Å
64	Q	96.7	Very high	89.3	Confident	57 Å²	57	49.1 Å²	49.1	27%	0.266	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-87.2	145.5	176.7	-59.2	-54.8	-70.7	0	0	110.3	R61 L62 Y172 G214 L216	R61-Q64 HydrophobicContact CB-CG 3.57Å; L62-Q64 PolarHBondContact O-N 3.37Å; L62-Q64 PolarHBondContact O-NE2 3.33Å; Q64-Y172 WeakPolarHBondContact O-CE2 3.39Å; Q64-Y172 PolarHBondContact O-OH 3.41Å; Q64-G214 PolarHBondContact N-O 3.31Å; Q64-L216 HydrophobicContact CB-CB 3.9Å; Q64-L216 HydrophobicContact CB-CD2 4.49Å; Q64-L216 HydrophobicContact CG-CB 3.85Å; Q64-L216 HydrophobicContact CG-CD2 4.49Å
65	P	94.8	Very high	89.6	Confident	97 Å²	97	55.7 Å²	55.7	63%	0.63	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-68.3	163.4	167.4	31.6	-35	0	0	0	110.5	Y172	P65-Y172 WeakPolarHBondContact O-CE2 3.37Å
66	H	93.7	Very high	89.7	Confident	32 Å²	32	55.6 Å²	55.6	15%	0.148	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-60.1	128.6	173.1	-171.5	-78.6	0	0	0	109.4	V68 T160 Y172 E174	H66-V68 PolarHBondContact ND1-N 2.82Å; H66-V68 VanDerWaalsContact ND1-N 3.12Å; H66-V68 PolarHBondContact ND1-O 3.43Å; H66-V68 PolarHBondContact O-N 3.35Å; H66-T160 PolarHBondContact NE2-OG1 3.29Å; H66-Y172 HydrophobicContact CB-CD1 4.31Å; H66-Y172 HydrophobicContact CB-CE1 3.75Å; H66-Y172 AromaticContact CD2-CD1 3.29Å; H66-Y172 WeakPolarHBondContact CD2-CD1 3.29Å; H66-Y172 AromaticContact CD2-CE1 3.41Å; H66-Y172 VanDerWaalsContact CD2-CE1 3.41Å; H66-Y172 WeakPolarHBondContact CD2-CE1 3.46Å; H66-Y172 AromaticContact CG-CD1 3.98Å; H66-Y172 AromaticContact CG-CE1 3.88Å; H66-Y172 PolarHBondContact N-OH 3.48Å; H66-E174 IonicContact CD2-OE2 3.45Å
67	P	91.2	Very high	89.6	Confident	46 Å²	46	59 Å²	59	30%	0.299	34%	0.343	S	S	.	.	S	Bend	trans	-67.6	-20.4	-171.8	24.1	-34.2	0	0	0	114	L162 Y172 L216	P67-L162 HydrophobicContact CB-CD2 4.02Å; P67-L162 HydrophobicContact CG-CD1 3.65Å; P67-L162 HydrophobicContact CG-CD2 3.7Å; P67-L162 HydrophobicContact CG-CG 4.37Å; P67-Y172 HydrophobicContact CG-CG 4.39Å; P67-L216 HydrophobicContact CG-CD1 4.24Å
68	V	89.2	Confident	89.4	Confident	26 Å²	26	61.5 Å²	61.5	16%	0.158	36%	0.357	C	S	.	.			trans	-109.3	109.3	173	-169.1	0	0	0	0	109.2	H66 F73 L134 L139 L162	H66-V68 PolarHBondContact ND1-N 2.82Å; H66-V68 VanDerWaalsContact ND1-N 3.12Å; H66-V68 PolarHBondContact ND1-O 3.43Å; H66-V68 PolarHBondContact O-N 3.35Å; V68-F73 HydrophobicContact CB-CE2 3.98Å; V68-F73 HydrophobicContact CG1-CE2 3.92Å; V68-F73 HydrophobicContact CG2-CE2 4.2Å; V68-F73 HydrophobicContact CG2-CZ 4.34Å; V68-L134 HydrophobicContact CG1-CD2 4.19Å; V68-L139 HydrophobicContact CG2-CD2 4.03Å; V68-L162 HydrophobicContact CG2-CD2 3.59Å
69	V	68.2	Low	88.9	Confident	136 Å²	136	65 Å²	65	82%	0.824	38%	0.382	S	S	*	.	S	Bend	trans	-90.5	-30.9	-171.8	-176.9	0	0	0	0	112.8
70	D	66.6	Low	88.4	Confident	164 Å²	164	69.7 Å²	69.7	88%	0.877	41%	0.407	S	S	*	.	S	Bend	trans	-123.1	39.3	-172.1	-154.5	13.9	0	0	0	112.5	G72	D70-G72 PolarHBondContact O-N 3.29Å
71	G	64.2	Low	87.8	Confident	36 Å²	36	70 Å²	70	37%	0.371	41%	0.408	S	S	.	.			trans	-69.3	118.4	-155.5	0	0	0	0	0	114.7	F73	G71-F73 PolarHBondContact O-N 3.36Å
72	G	81.7	Confident	87.4	Confident	55 Å²	55	73.6 Å²	73.6	57%	0.567	43%	0.427	S	S	*	.			trans	-66.9	35.3	164.1	0	0	0	0	0	113.8	D70 T74	D70-G72 PolarHBondContact O-N 3.29Å; G72-T74 PolarHBondContact O-N 3.02Å
73	F	93.5	Very high	87.2	Confident	25 Å²	25	77.6 Å²	77.6	11%	0.11	44%	0.444	C	S	.	.			trans	-61.5	128.9	171.8	-78.9	-79.3	0	0	0	108.9	V68 G71 E132 V133 L134 A141 K143 T160	V68-F73 HydrophobicContact CB-CE2 3.98Å; V68-F73 HydrophobicContact CG1-CE2 3.92Å; V68-F73 HydrophobicContact CG2-CE2 4.2Å; V68-F73 HydrophobicContact CG2-CZ 4.34Å; G71-F73 PolarHBondContact O-N 3.36Å; F73-E132 HydrophobicContact CB-CB 3.96Å; F73-E132 HydrophobicContact CD1-CB 4.12Å; F73-E132 HydrophobicContact CG-CB 4.4Å; F73-V133 WeakPolarHBondContact CA-O 3.32Å; F73-L134 HydrophobicContact CD1-CB 3.77Å; F73-L134 HydrophobicContact CE1-CB 3.79Å; F73-L134 HydrophobicContact CE2-CD2 4.43Å; F73-L134 HydrophobicContact CG-CB 4.19Å; F73-L134 HydrophobicContact CZ-CB 4.22Å; F73-L134 HydrophobicContact CZ-CD2 4.47Å; F73-A141 HydrophobicContact CE1-CB 3.78Å; F73-A141 HydrophobicContact CZ-CB 3.76Å; F73-K143 HydrophobicContact CD1-CB 4.27Å; F73-K143 HydrophobicContact CE1-CB 4.07Å; F73-T160 HydrophobicContact CZ-CG2 4.06Å
74	T	93	Very high	87	Confident	94 Å²	94	71.7 Å²	71.7	58%	0.577	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	135.5	173.3	52.8	0	0	0	0	109.1	G72 S76 E132 V133	G72-T74 PolarHBondContact O-N 3.02Å; T74-S76 PolarHBondContact O-N 3.42Å; T74-E132 CarbonylContact O-C 3.6Å; T74-E132 WeakPolarHBondContact O-CA 3.46Å; T74-V133 PolarHBondContact N-O 2.84Å; T74-V133 PolarHBondContact O-N 3.3Å; T74-V133 PolarHBondContact OG1-O 2.83Å
75	K	93.8	Very high	86.7	Confident	152 Å²	152	75 Å²	75	66%	0.661	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.7	130	171.1	-63.4	-169.2	-177.4	-157.6	0	109	E130 F131 E132	K75-E130 WeakPolarHBondContact CD-OE2 3.15Å; K75-E130 WeakPolarHBondContact CE-OE2 3.45Å; K75-E130 IonicContact NZ-OE2 2.9Å; K75-E130 PolarHBondContact NZ-OE2 3.47Å; K75-F131 WeakPolarHBondContact CA-O 3.49Å; K75-E132 HydrophobicContact CG-CG 4.38Å
76	S	91.7	Very high	86.4	Confident	22 Å²	22	71.5 Å²	71.5	15%	0.154	40%	0.403	C	S	.	.			trans	-127.6	128	-177.6	-165.5	0	0	0	0	109.6	T74 F131	T74-S76 PolarHBondContact O-N 3.42Å; S76-F131 PolarHBondContact N-O 3.11Å
77	P	90.5	Very high	86.3	Confident	71 Å²	71	75.8 Å²	75.8	46%	0.461	42%	0.422	S	S	.	.			trans	-66.1	150.8	170.7	31	-33.8	0	0	0	109.8	S79 D80	P77-S79 PolarHBondContact O-N 2.94Å; P77-S79 VanDerWaalsContact O-N 3.15Å; P77-D80 WeakPolarHBondContact CD-OD2 3.39Å; P77-D80 HydrophobicContact CG-CB 4.25Å; P77-D80 WeakPolarHBondContact CG-OD2 3.24Å; P77-D80 PolarHBondContact O-N 3.05Å
78	L	87	Confident	86.3	Confident	57 Å²	57	74.3 Å²	74.3	30%	0.298	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-58.4	-31.3	-179	-178.2	66.5	0	0	0	112.8	D80 L81 E82 I102 F131	L78-D80 PolarHBondContact O-N 3.43Å; L78-L81 CarbonylContact O-C 3.53Å; L78-L81 WeakPolarHBondContact O-CA 3.49Å; L78-L81 PolarHBondContact O-N 2.91Å; L78-E82 PolarHBondContact O-N 2.77Å; L78-I102 HydrophobicContact CD1-CG2 4.39Å; L78-F131 HydrophobicContact CD1-CE2 4.08Å; L78-F131 HydrophobicContact CD1-CZ 4.08Å
79	S	85.8	Confident	86.2	Confident	74 Å²	74	77.9 Å²	77.9	52%	0.517	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-54.8	-34.8	176.8	54.2	0	0	0	0	113	P77 L81	P77-S79 PolarHBondContact O-N 2.94Å; P77-S79 VanDerWaalsContact O-N 3.15Å; S79-L81 PolarHBondContact O-N 2.57Å
80	D	84.9	Confident	87.3	Confident	104 Å²	104	71.4 Å²	71.4	56%	0.556	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-81.1	-9	-177.8	-62.8	2.3	0	0	0	111.4	P77 L78	P77-D80 WeakPolarHBondContact CD-OD2 3.39Å; P77-D80 HydrophobicContact CG-CB 4.25Å; P77-D80 WeakPolarHBondContact CG-OD2 3.24Å; P77-D80 PolarHBondContact O-N 3.05Å; L78-D80 PolarHBondContact O-N 3.43Å
81	L	86.6	Confident	88.4	Confident	5 Å²	5	69.8 Å²	69.8	3%	0.026	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-110.3	-2.4	-177.2	-50.2	-179	0	0	0	112.9	L78 S79 K83 V84 I102 F131 V133	L78-L81 CarbonylContact O-C 3.53Å; L78-L81 WeakPolarHBondContact O-CA 3.49Å; L78-L81 PolarHBondContact O-N 2.91Å; S79-L81 PolarHBondContact O-N 2.57Å; L81-K83 PolarHBondContact O-N 2.75Å; L81-V84 HydrophobicContact CD2-CG2 4.27Å; L81-I102 HydrophobicContact CB-CB 3.8Å; L81-I102 HydrophobicContact CB-CD1 4.41Å; L81-I102 HydrophobicContact CB-CG1 4.17Å; L81-I102 HydrophobicContact CB-CG2 4.26Å; L81-I102 HydrophobicContact CD1-CG2 4.49Å; L81-I102 WeakPolarHBondContact O-CB 3.46Å; L81-I102 WeakPolarHBondContact O-CD1 3.23Å; L81-I102 PolarHBondContact O-N 3.06Å; L81-F131 HydrophobicContact CD1-CB 3.84Å; L81-F131 HydrophobicContact CD1-CD1 4.2Å; L81-F131 HydrophobicContact CD1-CG 4.07Å; L81-V133 HydrophobicContact CD1-CG2 3.82Å; L81-V133 HydrophobicContact CD2-CB 4.43Å; L81-V133 HydrophobicContact CD2-CG2 3.57Å; L81-V133 HydrophobicContact CG-CG2 4.35Å
82	E	88.8	Confident	89.8	Confident	127 Å²	127	68 Å²	68	59%	0.593	36%	0.362	S	S	*	.	S	Bend	trans	-57.7	-34	179.6	-69.1	-174.5	167.3	0	0	112	L78 N101	L78-E82 PolarHBondContact O-N 2.77Å; E82-N101 VanDerWaalsContact O-CA 3.32Å; E82-N101 WeakPolarHBondContact O-CA 3.48Å; E82-N101 WeakPolarHBondContact O-CB 2.95Å; E82-N101 PolarHBondContact O-OD1 2.99Å
83	K	93	Very high	90.3	Very high	112 Å²	112	65.9 Å²	65.9	49%	0.487	34%	0.337	S	S	.	.	S	Bend	trans	-144.6	116.3	171.2	-173	-177.2	174.3	-145.6	0	110.6	L81 E85 H99 F100	L81-K83 PolarHBondContact O-N 2.75Å; K83-E85 WeakPolarHBondContact CE-OE1 3.45Å; K83-E85 IonicContact NZ-OE1 3.87Å; K83-E85 PolarHBondContact NZ-OE1 3.13Å; K83-H99 HydrophobicContact CG-CB 4.43Å; K83-F100 CarbonylContact C-O 3.57Å; K83-F100 WeakPolarHBondContact CA-O 3.4Å
84	V	91.5	Very high	89.8	Confident	14 Å²	14	67.2 Å²	67.2	9%	0.085	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-112.5	119.6	178	177.3	0	0	0	0	110.1	L81 H99 F100 I102 F140	L81-V84 HydrophobicContact CD2-CG2 4.27Å; V84-H99 WeakPolarHBondContact O-CA 3.38Å; V84-H99 WeakPolarHBondContact O-CB 3.47Å; V84-F100 HydrophobicContact CB-CB 4.49Å; V84-F100 PolarHBondContact N-O 2.04Å; V84-F100 PolarHBondContact O-N 3.11Å; V84-I102 HydrophobicContact CB-CD1 4.05Å; V84-I102 HydrophobicContact CG2-CD1 3.56Å; V84-F140 HydrophobicContact CB-CZ 4.4Å; V84-F140 HydrophobicContact CG1-CD2 4.3Å; V84-F140 HydrophobicContact CG1-CE2 3.58Å; V84-F140 HydrophobicContact CG1-CZ 3.8Å; V84-F140 HydrophobicContact CG2-CZ 4.41Å
85	E	90.7	Very high	89.6	Confident	127 Å²	127	63.4 Å²	63.4	59%	0.593	32%	0.322	S	S	*	.			trans	-96.1	104.6	168.2	-67.1	-176.8	-177.6	0	0	108	K83 H99	K83-E85 WeakPolarHBondContact CE-OE1 3.45Å; K83-E85 IonicContact NZ-OE1 3.87Å; K83-E85 PolarHBondContact NZ-OE1 3.13Å; E85-H99 HydrophobicContact CG-CB 4.05Å
86	Q	88.9	Confident	89.5	Confident	22 Å²	22	61.3 Å²	61.3	10%	0.103	32%	0.318	C	S	.	.			trans	-66.9	147.1	-175.5	74.8	-67.8	-20.6	0	0	111.6	F88 F90 I97 F100	Q86-F88 HydrophobicContact CB-CE1 4.48Å; Q86-F88 HydrophobicContact CB-CZ 4.48Å; Q86-F88 HydrophobicContact CG-CD2 4.3Å; Q86-F88 HydrophobicContact CG-CE2 4.28Å; Q86-F88 HydrophobicContact CG-CZ 4.5Å; Q86-F88 VanDerWaalsContact CG-O 3.23Å; Q86-F88 WeakPolarHBondContact CG-O 3.48Å; Q86-F88 PolarHBondContact NE2-O 3.04Å; Q86-F88 PolarHBondContact O-N 3.18Å; Q86-F90 HydrophobicContact CG-CB 4.2Å; Q86-I97 PolarHBondContact NE2-O 3.45Å; Q86-F100 HydrophobicContact CB-CD2 4.37Å; Q86-F100 HydrophobicContact CB-CE2 3.87Å; Q86-F100 HydrophobicContact CG-CE2 4Å
87	K	90.5	Very high	89.6	Confident	123 Å²	123	60.6 Å²	60.6	54%	0.535	31%	0.312	S	S	.	.	S	Bend	trans	-77.1	11.1	-173.1	-68	171.5	-178.2	152.3	0	115.3	D135 K137	K87-D135 WeakPolarHBondContact CD-OD2 3.45Å; K87-D135 WeakPolarHBondContact CE-OD2 3.37Å; K87-D135 PolarHBondContact NZ-O 3.47Å; K87-D135 IonicContact NZ-OD2 3.46Å; K87-D135 PolarHBondContact NZ-OD2 2.74Å; K87-K137 HydrophobicContact CB-CG 4.42Å
88	F	92.2	Very high	89.8	Confident	15 Å²	15	62.9 Å²	62.9	7%	0.066	32%	0.315	C	S	.	.	S	Bend	trans	-145.8	155.1	-177.4	53.4	-96.6	0	0	0	111.8	Q86 F90 K137 F140 I163 P165	Q86-F88 HydrophobicContact CB-CE1 4.48Å; Q86-F88 HydrophobicContact CB-CZ 4.48Å; Q86-F88 HydrophobicContact CG-CD2 4.3Å; Q86-F88 HydrophobicContact CG-CE2 4.28Å; Q86-F88 HydrophobicContact CG-CZ 4.5Å; Q86-F88 VanDerWaalsContact CG-O 3.23Å; Q86-F88 WeakPolarHBondContact CG-O 3.48Å; Q86-F88 PolarHBondContact NE2-O 3.04Å; Q86-F88 PolarHBondContact O-N 3.18Å; F88-F90 HydrophobicContact CD2-CB 4.06Å; F88-F90 HydrophobicContact CE2-CB 3.84Å; F88-F90 HydrophobicContact CE2-CD2 4.21Å; F88-F90 HydrophobicContact CE2-CG 4.33Å; F88-F90 PolarHBondContact O-N 2.89Å; F88-K137 WeakPolarHBondContact CD1-O 3.39Å; F88-F140 HydrophobicContact CE1-CB 3.84Å; F88-F140 HydrophobicContact CZ-CB 3.79Å; F88-I163 HydrophobicContact CE2-CG2 4.38Å; F88-I163 HydrophobicContact CZ-CG2 4.3Å; F88-I163 WeakPolarHBondContact CZ-O 3.35Å; F88-P165 HydrophobicContact CB-CB 4.29Å; F88-P165 HydrophobicContact CB-CG 4.13Å; F88-P165 HydrophobicContact CD1-CG 4.14Å; F88-P165 HydrophobicContact CD2-CB 3.89Å; F88-P165 HydrophobicContact CD2-CG 3.83Å; F88-P165 HydrophobicContact CE2-CB 4.46Å; F88-P165 HydrophobicContact CE2-CG 4.22Å; F88-P165 HydrophobicContact CG-CB 4.17Å; F88-P165 HydrophobicContact CG-CG 3.78Å
89	P	87.8	Confident	90.2	Very high	100 Å²	100	61.8 Å²	61.8	65%	0.649	31%	0.308	S	S	*	.			trans	-66.5	117.3	170	27.7	-32.8	0	0	0	109.4	L96	P89-L96 HydrophobicContact CB-CD1 3.98Å
90	F	91.6	Very high	90.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.1	178.7	175.6	-117.3	0	0	0	110.6	Q86 F88 Y92 I97 F100 I163 Y164 I169	Q86-F90 HydrophobicContact CG-CB 4.2Å; F88-F90 HydrophobicContact CD2-CB 4.06Å; F88-F90 HydrophobicContact CE2-CB 3.84Å; F88-F90 HydrophobicContact CE2-CD2 4.21Å; F88-F90 HydrophobicContact CE2-CG 4.33Å; F88-F90 PolarHBondContact O-N 2.89Å; F90-Y92 HydrophobicContact CE1-CD2 4.28Å; F90-Y92 HydrophobicContact CE1-CG 4.35Å; F90-Y92 HydrophobicContact CZ-CD2 4.26Å; F90-I97 HydrophobicContact CD1-CB 3.85Å; F90-I97 HydrophobicContact CD1-CG1 3.74Å; F90-I97 HydrophobicContact CD1-CG2 4.3Å; F90-I97 HydrophobicContact CE1-CG1 4.13Å; F90-I97 PolarHBondContact O-N 2.84Å; F90-F100 AromaticContact CD1-CE1 3.8Å; F90-F100 HydrophobicContact CD1-CE1 3.8Å; F90-F100 HydrophobicContact CD1-CE2 4.49Å; F90-F100 AromaticContact CD1-CZ 3.35Å; F90-F100 HydrophobicContact CD1-CZ 3.35Å; F90-F100 AromaticContact CE1-CE1 3.8Å; F90-F100 HydrophobicContact CE1-CE1 3.8Å; F90-F100 AromaticContact CE1-CZ 3.65Å; F90-F100 HydrophobicContact CE1-CZ 3.65Å; F90-F100 HydrophobicContact CG-CZ 4.13Å; F90-I163 HydrophobicContact CD1-CG2 4.23Å; F90-I163 HydrophobicContact CD2-CG2 3.53Å; F90-I163 HydrophobicContact CE1-CG2 4.01Å; F90-I163 HydrophobicContact CE2-CG2 3.3Å; F90-I163 HydrophobicContact CG-CG2 4Å; F90-I163 HydrophobicContact CZ-CG2 3.56Å; F90-Y164 WeakPolarHBondContact CD2-O 3.48Å; F90-I169 HydrophobicContact CE2-CG1 4.42Å; F90-I169 HydrophobicContact CZ-CD1 4.06Å; F90-I169 HydrophobicContact CZ-CG1 3.95Å
91	K	89.8	Confident	91.1	Very high	130 Å²	130	55.1 Å²	55.1	57%	0.565	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	128.1	171	-70.1	-177	-179.1	176.4	0	109.8	S95 L96 G167	K91-S95 WeakPolarHBondContact CA-O 3.39Å; K91-L96 HydrophobicContact CG-CD1 4.44Å; K91-G167 WeakPolarHBondContact O-CA 3.47Å
92	Y	93.4	Very high	91.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	121.9	171.3	-176	-119.3	0	0	0	107.7	Y56 F90 D94 S95 I97 V110 F116 L118 I119 I169 I189 A190 A191	Y56-Y92 WeakPolarHBondContact OH-CD2 3.31Å; F90-Y92 HydrophobicContact CE1-CD2 4.28Å; F90-Y92 HydrophobicContact CE1-CG 4.35Å; F90-Y92 HydrophobicContact CZ-CD2 4.26Å; Y92-D94 PolarHBondContact O-N 2.78Å; Y92-S95 PolarHBondContact N-O 3.29Å; Y92-S95 PolarHBondContact O-N 2.71Å; Y92-S95 VanDerWaalsContact O-N 3.11Å; Y92-I97 VanDerWaalsContact CB-CG1 3.42Å; Y92-V110 HydrophobicContact CD1-CB 4.2Å; Y92-V110 HydrophobicContact CD1-CG1 3.7Å; Y92-V110 HydrophobicContact CD1-CG2 4.35Å; Y92-V110 HydrophobicContact CE1-CB 4.3Å; Y92-V110 HydrophobicContact CE1-CG1 4.3Å; Y92-V110 HydrophobicContact CE1-CG2 4.22Å; Y92-V110 HydrophobicContact CG-CG1 4.09Å; Y92-F116 AromaticContact CD1-CD1 3.8Å; Y92-F116 HydrophobicContact CD1-CD1 3.8Å; Y92-F116 AromaticContact CD1-CE1 3.78Å; Y92-F116 HydrophobicContact CD1-CE1 3.78Å; Y92-F116 HydrophobicContact CE1-CD1 4.48Å; Y92-F116 WeakPolarHBondContact O-CE1 3.2Å; Y92-L118 PolarHBondContact OH-O 3.06Å; Y92-I119 HydrophobicContact CE2-CD1 4.31Å; Y92-I119 HydrophobicContact CE2-CG1 3.99Å; Y92-I169 HydrophobicContact CD2-CD1 3.65Å; Y92-I169 HydrophobicContact CE2-CD1 3.57Å; Y92-I189 HydrophobicContact CE2-CB 4.31Å; Y92-I189 WeakPolarHBondContact OH-CB 3.33Å; Y92-A190 WeakPolarHBondContact CE1-O 3.21Å; Y92-A190 VanDerWaalsContact OH-C 3.32Å; Y92-A190 PolarHBondContact OH-N 3.48Å; Y92-A190 PolarHBondContact OH-O 3.17Å; Y92-A191 HydrophobicContact CE1-CB 4.13Å
93	Y	91	Very high	91.7	Very high	10 Å²	10	52.8 Å²	52.8	4%	0.039	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	-133.6	-163	-67.7	-98.7	0	0	0	108.9	Y54 N55 Y56 S95 A191 F193 H202	Y54-Y93 HydrophobicContact CD1-CD1 4.35Å; Y54-Y93 HydrophobicContact CD1-CE1 4.41Å; Y54-Y93 WeakPolarHBondContact O-CE1 3.48Å; N55-Y93 HydrophobicContact CB-CD1 3.74Å; N55-Y93 HydrophobicContact CB-CE1 4.42Å; Y56-Y93 HydrophobicContact CD2-CD1 4.02Å; Y56-Y93 AromaticContact CD2-CE1 3.72Å; Y56-Y93 HydrophobicContact CD2-CE1 3.72Å; Y56-Y93 HydrophobicContact CD2-CE2 4.29Å; Y56-Y93 HydrophobicContact CD2-CG 4.39Å; Y56-Y93 AromaticContact CD2-CZ 3.88Å; Y56-Y93 AromaticContact CE2-CD1 3.7Å; Y56-Y93 HydrophobicContact CE2-CD1 3.7Å; Y56-Y93 AromaticContact CE2-CD2 3.57Å; Y56-Y93 HydrophobicContact CE2-CD2 3.57Å; Y56-Y93 AromaticContact CE2-CE1 3.69Å; Y56-Y93 HydrophobicContact CE2-CE1 3.69Å; Y56-Y93 AromaticContact CE2-CE2 3.57Å; Y56-Y93 HydrophobicContact CE2-CE2 3.57Å; Y56-Y93 AromaticContact CE2-CG 3.61Å; Y56-Y93 HydrophobicContact CE2-CG 3.61Å; Y56-Y93 AromaticContact CE2-CZ 3.63Å; Y56-Y93 PolarHBondContact OH-N 2.67Å; Y93-S95 VanDerWaalsContact C-N 3.29Å; Y93-S95 PolarHBondContact O-N 2.8Å; Y93-A191 HydrophobicContact CD1-CB 4.37Å; Y93-A191 HydrophobicContact CD2-CB 3.44Å; Y93-A191 VanDerWaalsContact CD2-CB 3.44Å; Y93-A191 HydrophobicContact CE1-CB 4.31Å; Y93-A191 HydrophobicContact CE2-CB 3.32Å; Y93-A191 HydrophobicContact CG-CB 4.01Å; Y93-F193 AromaticContact CD1-CZ 3.72Å; Y93-F193 HydrophobicContact CD1-CZ 3.72Å; Y93-F193 HydrophobicContact CE1-CZ 4.23Å; Y93-F193 HydrophobicContact CG-CZ 4.08Å; Y93-H202 AromaticContact CE1-CD2 3.77Å
94	D	84.1	Confident	91.6	Very high	53 Å²	53	51 Å²	51	28%	0.283	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	18	179.3	44.2	3.2	0	0	0	113	Y92	Y92-D94 PolarHBondContact O-N 2.78Å
95	S	88.8	Confident	91.5	Very high	14 Å²	14	53.3 Å²	53.3	10%	0.098	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133.8	-169.4	-69.4	0	0	0	0	113.7	K91 Y92 Y93 K112 F116	K91-S95 WeakPolarHBondContact CA-O 3.39Å; Y92-S95 PolarHBondContact N-O 3.29Å; Y92-S95 PolarHBondContact O-N 2.71Å; Y92-S95 VanDerWaalsContact O-N 3.11Å; Y93-S95 VanDerWaalsContact C-N 3.29Å; Y93-S95 PolarHBondContact O-N 2.8Å; S95-K112 WeakPolarHBondContact OG-CE 3.5Å; S95-K112 PolarHBondContact OG-NZ 2.9Å; S95-F116 VanDerWaalsContact CB-CE1 3.49Å; S95-F116 WeakPolarHBondContact OG-CZ 3.32Å
96	L	91.1	Very high	91.4	Very high	108 Å²	108	47.2 Å²	47.2	57%	0.565	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74	127.7	171.6	-173.3	71.5	0	0	0	110.2	P89 K91	P89-L96 HydrophobicContact CB-CD1 3.98Å; K91-L96 HydrophobicContact CG-CD1 4.44Å
97	I	94.5	Very high	91.6	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.031	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	136.5	-176.6	-60.6	-45.3	0	0	0	111	Q86 F90 Y92 H99 F100 V110 F111 K112 F116	Q86-I97 PolarHBondContact NE2-O 3.45Å; F90-I97 HydrophobicContact CD1-CB 3.85Å; F90-I97 HydrophobicContact CD1-CG1 3.74Å; F90-I97 HydrophobicContact CD1-CG2 4.3Å; F90-I97 HydrophobicContact CE1-CG1 4.13Å; F90-I97 PolarHBondContact O-N 2.84Å; Y92-I97 VanDerWaalsContact CB-CG1 3.42Å; I97-H99 WeakPolarHBondContact CG2-O 3.05Å; I97-F100 HydrophobicContact CG2-CD1 4.18Å; I97-F100 HydrophobicContact CG2-CE1 3.76Å; I97-F100 HydrophobicContact CG2-CZ 4.21Å; I97-V110 HydrophobicContact CB-CG1 4.33Å; I97-V110 HydrophobicContact CD1-CG1 3.38Å; I97-V110 HydrophobicContact CG1-CG1 3.59Å; I97-V110 HydrophobicContact CG2-CG1 3.75Å; I97-F111 WeakPolarHBondContact CG2-O 3.36Å; I97-K112 HydrophobicContact CD1-CG 4.2Å; I97-F116 HydrophobicContact CD1-CD1 3.9Å; I97-F116 HydrophobicContact CD1-CE1 4.46Å
98	K	95	Very high	91.9	Very high	120 Å²	120	41.8 Å²	41.8	52%	0.522	22%	0.218	S	C	.	.			trans	-86.5	-47	177.7	-70.1	-163	175.2	-178.5	0	112.2	F111 K112 D113	K98-F111 PolarHBondContact N-O 3.41Å; K98-K112 WeakPolarHBondContact CD-O 3.31Å; K98-D113 VanDerWaalsContact CE-OD1 3.24Å; K98-D113 WeakPolarHBondContact CE-OD1 3.43Å; K98-D113 IonicContact NZ-OD1 3.81Å; K98-D113 PolarHBondContact NZ-OD1 3.45Å
99	H	95	Very high	92.1	Very high	33 Å²	33	41.5 Å²	41.5	15%	0.153	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	168.8	-177.6	64.1	-84.5	0	0	0	111.1	K83 V84 E85 I97 N101 F111	K83-H99 HydrophobicContact CG-CB 4.43Å; V84-H99 WeakPolarHBondContact O-CA 3.38Å; V84-H99 WeakPolarHBondContact O-CB 3.47Å; E85-H99 HydrophobicContact CG-CB 4.05Å; I97-H99 WeakPolarHBondContact CG2-O 3.05Å; H99-N101 PolarHBondContact CD2-OD1 3.27Å; H99-F111 AromaticContact CD2-CD2 3.93Å; H99-F111 WeakPolarHBondContact CE1-CB 3.46Å; H99-F111 AromaticContact CE1-CG 3.83Å; H99-F111 AromaticContact NE2-CD2 3.63Å; H99-F111 AromaticContact NE2-CG 3.48Å; H99-F111 WeakPolarHBondContact NE2-CG 3.01Å; H99-F111 PolarHBondContact O-N 3.06Å; H99-F111 VanDerWaalsContact O-N 3.09Å
100	F	95	Very high	92.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	150.7	172.4	-54.6	-63.4	0	0	0	110.5	K83 V84 Q86 F90 I97 I102 I108 S109 V110 F140 I163	K83-F100 CarbonylContact C-O 3.57Å; K83-F100 WeakPolarHBondContact CA-O 3.4Å; V84-F100 HydrophobicContact CB-CB 4.49Å; V84-F100 PolarHBondContact N-O 2.04Å; V84-F100 PolarHBondContact O-N 3.11Å; Q86-F100 HydrophobicContact CB-CD2 4.37Å; Q86-F100 HydrophobicContact CB-CE2 3.87Å; Q86-F100 HydrophobicContact CG-CE2 4Å; F90-F100 AromaticContact CD1-CE1 3.8Å; F90-F100 HydrophobicContact CD1-CE1 3.8Å; F90-F100 HydrophobicContact CD1-CE2 4.49Å; F90-F100 AromaticContact CD1-CZ 3.35Å; F90-F100 HydrophobicContact CD1-CZ 3.35Å; F90-F100 AromaticContact CE1-CE1 3.8Å; F90-F100 HydrophobicContact CE1-CE1 3.8Å; F90-F100 AromaticContact CE1-CZ 3.65Å; F90-F100 HydrophobicContact CE1-CZ 3.65Å; F90-F100 HydrophobicContact CG-CZ 4.13Å; I97-F100 HydrophobicContact CG2-CD1 4.18Å; I97-F100 HydrophobicContact CG2-CE1 3.76Å; I97-F100 HydrophobicContact CG2-CZ 4.21Å; F100-I102 HydrophobicContact CB-CD1 4.15Å; F100-I108 HydrophobicContact CB-CG2 3.65Å; F100-I108 HydrophobicContact CD1-CG2 3.92Å; F100-I108 HydrophobicContact CG-CG2 4Å; F100-S109 CarbonylContact C-O 3.6Å; F100-S109 VanDerWaalsContact CA-O 3.31Å; F100-S109 WeakPolarHBondContact CA-O 3.26Å; F100-V110 HydrophobicContact CD1-CG1 4.39Å; F100-V110 HydrophobicContact CD1-CG2 4.12Å; F100-V110 HydrophobicContact CE1-CG1 4.21Å; F100-V110 HydrophobicContact CE1-CG2 4.23Å; F100-F140 HydrophobicContact CD2-CE1 4.35Å; F100-F140 HydrophobicContact CE2-CD1 4.39Å; F100-I163 HydrophobicContact CE1-CD1 4.29Å; F100-I163 HydrophobicContact CE2-CD1 4.27Å; F100-I163 HydrophobicContact CZ-CD1 3.92Å; F100-I163 HydrophobicContact CZ-CG2 4.28Å
101	N	94.6	Very high	92.7	Very high	39 Å²	39	38.6 Å²	38.6	21%	0.209	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.5	164.6	-66.5	4.4	0	0	0	108.8	E82 H99 I108 S109 F111	E82-N101 VanDerWaalsContact O-CA 3.32Å; E82-N101 WeakPolarHBondContact O-CA 3.48Å; E82-N101 WeakPolarHBondContact O-CB 2.95Å; E82-N101 PolarHBondContact O-OD1 2.99Å; H99-N101 PolarHBondContact CD2-OD1 3.27Å; N101-I108 CarbonylContact O-C 3.57Å; N101-I108 WeakPolarHBondContact O-CA 3.34Å; N101-S109 PolarHBondContact N-O 3.05Å; N101-S109 PolarHBondContact O-N 3.22Å; N101-F111 HydrophobicContact CB-CE2 4.03Å
102	I	94.3	Very high	92.9	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.031	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	128	177.9	-62	65.6	0	0	0	108	L78 L81 V84 F100 I108 F131 I142	L78-I102 HydrophobicContact CD1-CG2 4.39Å; L81-I102 HydrophobicContact CB-CB 3.8Å; L81-I102 HydrophobicContact CB-CD1 4.41Å; L81-I102 HydrophobicContact CB-CG1 4.17Å; L81-I102 HydrophobicContact CB-CG2 4.26Å; L81-I102 HydrophobicContact CD1-CG2 4.49Å; L81-I102 WeakPolarHBondContact O-CB 3.46Å; L81-I102 WeakPolarHBondContact O-CD1 3.23Å; L81-I102 PolarHBondContact O-N 3.06Å; V84-I102 HydrophobicContact CB-CD1 4.05Å; V84-I102 HydrophobicContact CG2-CD1 3.56Å; F100-I102 HydrophobicContact CB-CD1 4.15Å; I102-I108 HydrophobicContact CG1-CG1 4.27Å; I102-F131 HydrophobicContact CG2-CE1 4.15Å; I102-I142 HydrophobicContact CD1-CD1 4.08Å; I102-I142 HydrophobicContact CG1-CD1 3.42Å; I102-I142 VanDerWaalsContact CG1-CD1 3.42Å; I102-I142 HydrophobicContact CG2-CD1 4.47Å
103	H	92.8	Very high	92.7	Very high	77 Å²	77	41.4 Å²	41.4	36%	0.356	21%	0.214	S	C	.	.			trans	-96.5	159.9	-179.5	-64.2	-88.5	0	0	0	111.1	N105 G106 L107 S109	H103-N105 VanDerWaalsContact CB-OD1 3.3Å; H103-N105 WeakPolarHBondContact CB-OD1 3.34Å; H103-N105 PolarHBondContact O-N 3.23Å; H103-N105 VanDerWaalsContact O-N 3.11Å; H103-G106 PolarHBondContact O-N 3.42Å; H103-L107 HydrophobicContact CB-CB 4.42Å; H103-L107 PolarHBondContact CD2-O 3.33Å; H103-L107 VanDerWaalsContact CD2-O 3.31Å; H103-L107 PolarHBondContact N-O 3.04Å; H103-S109 PolarHBondContact NE2-OG 3.18Å
104	S	91	Very high	92.7	Very high	73 Å²	73	48 Å²	48	51%	0.51	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.5	-179.3	57.1	0	0	0	0	114.3	G106 P128	S104-G106 VanDerWaalsContact C-N 3.29Å; S104-P128 VanDerWaalsContact O-CD 3.31Å; S104-P128 WeakPolarHBondContact O-CD 3.45Å
105	N	90.2	Very high	93.2	Very high	63 Å²	63	49.5 Å²	49.5	34%	0.337	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	1.2	175.8	66.7	-4.3	0	0	0	113.6	H103 L107	H103-N105 VanDerWaalsContact CB-OD1 3.3Å; H103-N105 WeakPolarHBondContact CB-OD1 3.34Å; H103-N105 PolarHBondContact O-N 3.23Å; H103-N105 VanDerWaalsContact O-N 3.11Å; N105-L107 VanDerWaalsContact OD1-CB 3.25Å; N105-L107 WeakPolarHBondContact OD1-CB 3.23Å; N105-L107 PolarHBondContact OD1-N 3.16Å
106	G	88.4	Confident	93.5	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	87.3	-0.6	-178.5	0	0	0	0	0	115.2	H103 S104 M144 Y161	H103-G106 PolarHBondContact O-N 3.42Å; S104-G106 VanDerWaalsContact C-N 3.29Å; G106-M144 WeakPolarHBondContact CA-SD 3.42Å; G106-Y161 WeakPolarHBondContact O-CE2 3.37Å; G106-Y161 PolarHBondContact O-OH 3.14Å
107	L	93.5	Very high	93.7	Very high	30 Å²	30	44 Å²	44	16%	0.157	21%	0.211	C	C	.	.			trans	-69.1	140.2	173.6	-175.9	149.1	0	0	0	110.1	H103 N105 S109 L118 A120	H103-L107 HydrophobicContact CB-CB 4.42Å; H103-L107 PolarHBondContact CD2-O 3.33Å; H103-L107 VanDerWaalsContact CD2-O 3.31Å; H103-L107 PolarHBondContact N-O 3.04Å; N105-L107 VanDerWaalsContact OD1-CB 3.25Å; N105-L107 WeakPolarHBondContact OD1-CB 3.23Å; N105-L107 PolarHBondContact OD1-N 3.16Å; L107-S109 WeakPolarHBondContact CD2-OG 3.36Å; L107-L118 HydrophobicContact CD1-CB 4.36Å; L107-L118 HydrophobicContact CD1-CD2 4.2Å; L107-L118 HydrophobicContact CD2-CB 4.04Å; L107-L118 HydrophobicContact CG-CB 4.26Å; L107-A120 HydrophobicContact CD1-CB 4.3Å; L107-A120 HydrophobicContact CG-CB 4.35Å
108	I	95.4	Very high	93.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	115.2	171.1	-50.3	-175.7	0	0	0	108.3	F100 N101 I102 L118 I119 I142 Y161	F100-I108 HydrophobicContact CB-CG2 3.65Å; F100-I108 HydrophobicContact CD1-CG2 3.92Å; F100-I108 HydrophobicContact CG-CG2 4Å; N101-I108 CarbonylContact O-C 3.57Å; N101-I108 WeakPolarHBondContact O-CA 3.34Å; I102-I108 HydrophobicContact CG1-CG1 4.27Å; I108-L118 CarbonylContact O-C 3.57Å; I108-L118 WeakPolarHBondContact O-CA 3.43Å; I108-I119 HydrophobicContact CB-CB 4.18Å; I108-I119 PolarHBondContact N-O 2.92Å; I108-I119 PolarHBondContact O-N 3.05Å; I108-I142 HydrophobicContact CD1-CD1 3.9Å; I108-Y161 HydrophobicContact CD1-CD2 3.64Å; I108-Y161 HydrophobicContact CD1-CE2 3.93Å; I108-Y161 HydrophobicContact CD1-CG 4.1Å; I108-Y161 HydrophobicContact CG1-CD2 4.22Å; I108-Y161 HydrophobicContact CG1-CE2 3.99Å
109	S	96.6	Very high	93.9	Very high	10 Å²	10	38.7 Å²	38.7	7%	0.07	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	135.6	168.3	-68.5	0	0	0	0	110	F100 N101 H103 L107 F111	F100-S109 CarbonylContact C-O 3.6Å; F100-S109 VanDerWaalsContact CA-O 3.31Å; F100-S109 WeakPolarHBondContact CA-O 3.26Å; N101-S109 PolarHBondContact N-O 3.05Å; N101-S109 PolarHBondContact O-N 3.22Å; H103-S109 PolarHBondContact NE2-OG 3.18Å; L107-S109 WeakPolarHBondContact CD2-OG 3.36Å; S109-F111 VanDerWaalsContact CB-CE2 3.43Å
110	V	97	Very high	93.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.4	-174.9	-176.5	0	0	0	0	109.4	Y92 I97 F100 F116 G117 I119	Y92-V110 HydrophobicContact CD1-CB 4.2Å; Y92-V110 HydrophobicContact CD1-CG1 3.7Å; Y92-V110 HydrophobicContact CD1-CG2 4.35Å; Y92-V110 HydrophobicContact CE1-CB 4.3Å; Y92-V110 HydrophobicContact CE1-CG1 4.3Å; Y92-V110 HydrophobicContact CE1-CG2 4.22Å; Y92-V110 HydrophobicContact CG-CG1 4.09Å; I97-V110 HydrophobicContact CB-CG1 4.33Å; I97-V110 HydrophobicContact CD1-CG1 3.38Å; I97-V110 HydrophobicContact CG1-CG1 3.59Å; I97-V110 HydrophobicContact CG2-CG1 3.75Å; F100-V110 HydrophobicContact CD1-CG1 4.39Å; F100-V110 HydrophobicContact CD1-CG2 4.12Å; F100-V110 HydrophobicContact CE1-CG1 4.21Å; F100-V110 HydrophobicContact CE1-CG2 4.23Å; V110-F116 PolarHBondContact O-N 3.39Å; V110-G117 PolarHBondContact N-O 2.79Å; V110-G117 PolarHBondContact O-N 3.24Å; V110-I119 HydrophobicContact CG2-CD1 4.03Å; V110-I119 HydrophobicContact CG2-CG1 3.96Å
111	F	95.9	Very high	93.8	Very high	39 Å²	39	37.1 Å²	37.1	17%	0.171	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	134.4	-174	-70.3	-95	0	0	0	113.4	I97 K98 H99 N101 S109 Y115	I97-F111 WeakPolarHBondContact CG2-O 3.36Å; K98-F111 PolarHBondContact N-O 3.41Å; H99-F111 AromaticContact CD2-CD2 3.93Å; H99-F111 WeakPolarHBondContact CE1-CB 3.46Å; H99-F111 AromaticContact CE1-CG 3.83Å; H99-F111 AromaticContact NE2-CD2 3.63Å; H99-F111 AromaticContact NE2-CG 3.48Å; H99-F111 WeakPolarHBondContact NE2-CG 3.01Å; H99-F111 PolarHBondContact O-N 3.06Å; H99-F111 VanDerWaalsContact O-N 3.09Å; N101-F111 HydrophobicContact CB-CE2 4.03Å; S109-F111 VanDerWaalsContact CB-CE2 3.43Å; F111-Y115 HydrophobicContact CE1-CD2 4.19Å; F111-Y115 HydrophobicContact CE2-CD2 4.47Å; F111-Y115 AromaticContact CZ-CD2 3.97Å; F111-Y115 HydrophobicContact CZ-CD2 3.97Å
112	K	92.4	Very high	93.5	Very high	51 Å²	51	38 Å²	38	22%	0.222	18%	0.182	C	C	.	.	S	Bend	trans	-90.8	-119.3	156.9	-69.4	-176.8	-108.3	-170.2	0	107.9	S95 I97 K98 R114 F116	S95-K112 WeakPolarHBondContact OG-CE 3.5Å; S95-K112 PolarHBondContact OG-NZ 2.9Å; I97-K112 HydrophobicContact CD1-CG 4.2Å; K98-K112 WeakPolarHBondContact CD-O 3.31Å; K112-R114 VanDerWaalsContact C-N 3.34Å; K112-R114 PolarHBondContact N-O 2.86Å; K112-F116 HydrophobicContact CD-CD1 4.48Å; K112-F116 HydrophobicContact CD-CD2 4.48Å; K112-F116 HydrophobicContact CD-CG 4.29Å; K112-F116 VanDerWaalsContact CE-CD1 3.49Å; K112-F116 HydrophobicContact CG-CB 4.26Å; K112-F116 HydrophobicContact CG-CD1 4.34Å; K112-F116 HydrophobicContact CG-CG 4.26Å; K112-F116 VanDerWaalsContact NZ-CD2 3.27Å
113	D	89.4	Confident	93.2	Very high	138 Å²	138	38 Å²	38	74%	0.738	18%	0.182	S	C	*	.	S	Bend	trans	-76.6	-24.7	163.8	-62.3	-51.7	0	0	0	112.7	K98	K98-D113 VanDerWaalsContact CE-OD1 3.24Å; K98-D113 WeakPolarHBondContact CE-OD1 3.43Å; K98-D113 IonicContact NZ-OD1 3.81Å; K98-D113 PolarHBondContact NZ-OD1 3.45Å
114	R	91.2	Very high	93	Very high	149 Å²	149	35.6 Å²	35.6	56%	0.562	17%	0.174	S	C	*	.	S	Bend	trans	-135.4	170.8	176.3	59.8	178.7	173.9	166.3	-1	109.3	K112 F116	K112-R114 VanDerWaalsContact C-N 3.34Å; K112-R114 PolarHBondContact N-O 2.86Å; R114-F116 PolarHBondContact O-N 3.11Å
115	Y	94.3	Very high	92.7	Very high	84 Å²	84	40 Å²	40	33%	0.329	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.8	128.2	171.2	179.7	-98.4	0	0	0	110	F111 G117 I192	F111-Y115 HydrophobicContact CE1-CD2 4.19Å; F111-Y115 HydrophobicContact CE2-CD2 4.47Å; F111-Y115 AromaticContact CZ-CD2 3.97Å; F111-Y115 HydrophobicContact CZ-CD2 3.97Å; Y115-G117 WeakPolarHBondContact CE2-O 3.15Å; Y115-G117 PolarHBondContact OH-O 2.89Å; Y115-I192 HydrophobicContact CD1-CD1 4.11Å; Y115-I192 HydrophobicContact CE1-CD1 3.61Å; Y115-I192 HydrophobicContact CE1-CG1 4.26Å
116	F	95.1	Very high	92.8	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.018	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	-25.8	-177	-179.5	-128.2	0	0	0	113	Y92 S95 I97 V110 K112 R114 A191 I192 F193	Y92-F116 AromaticContact CD1-CD1 3.8Å; Y92-F116 HydrophobicContact CD1-CD1 3.8Å; Y92-F116 AromaticContact CD1-CE1 3.78Å; Y92-F116 HydrophobicContact CD1-CE1 3.78Å; Y92-F116 HydrophobicContact CE1-CD1 4.48Å; Y92-F116 WeakPolarHBondContact O-CE1 3.2Å; S95-F116 VanDerWaalsContact CB-CE1 3.49Å; S95-F116 WeakPolarHBondContact OG-CZ 3.32Å; I97-F116 HydrophobicContact CD1-CD1 3.9Å; I97-F116 HydrophobicContact CD1-CE1 4.46Å; V110-F116 PolarHBondContact O-N 3.39Å; K112-F116 HydrophobicContact CD-CD1 4.48Å; K112-F116 HydrophobicContact CD-CD2 4.48Å; K112-F116 HydrophobicContact CD-CG 4.29Å; K112-F116 VanDerWaalsContact CE-CD1 3.49Å; K112-F116 HydrophobicContact CG-CB 4.26Å; K112-F116 HydrophobicContact CG-CD1 4.34Å; K112-F116 HydrophobicContact CG-CG 4.26Å; K112-F116 VanDerWaalsContact NZ-CD2 3.27Å; R114-F116 PolarHBondContact O-N 3.11Å; F116-A191 HydrophobicContact CE1-CB 4.44Å; F116-A191 HydrophobicContact CE2-CB 4.41Å; F116-A191 HydrophobicContact CZ-CB 4.18Å; F116-A191 CarbonylContact O-C 3.51Å; F116-A191 WeakPolarHBondContact O-CA 3.44Å; F116-I192 WeakPolarHBondContact CD2-O 3.19Å; F116-I192 WeakPolarHBondContact CE2-O 3.46Å; F116-I192 PolarHBondContact O-N 3.15Å; F116-F193 HydrophobicContact CE2-CE1 4.4Å; F116-F193 HydrophobicContact CZ-CE1 4.29Å
117	G	96.7	Very high	93	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.8	-164.6	179.5	0	0	0	0	0	112.4	V110 Y115 A190	V110-G117 PolarHBondContact N-O 2.79Å; V110-G117 PolarHBondContact O-N 3.24Å; Y115-G117 WeakPolarHBondContact CE2-O 3.15Å; Y115-G117 PolarHBondContact OH-O 2.89Å; G117-A190 CarbonylContact C-O 3.55Å; G117-A190 WeakPolarHBondContact CA-O 3.4Å
118	L	96.8	Very high	93	Very high	16 Å²	16	41.7 Å²	41.7	8%	0.084	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	152.2	-179	60.4	87.2	0	0	0	111.6	Y92 L107 I108 A120 K188 A190	Y92-L118 PolarHBondContact OH-O 3.06Å; L107-L118 HydrophobicContact CD1-CB 4.36Å; L107-L118 HydrophobicContact CD1-CD2 4.2Å; L107-L118 HydrophobicContact CD2-CB 4.04Å; L107-L118 HydrophobicContact CG-CB 4.26Å; I108-L118 CarbonylContact O-C 3.57Å; I108-L118 WeakPolarHBondContact O-CA 3.43Å; L118-A120 HydrophobicContact CD1-CB 3.72Å; L118-K188 HydrophobicContact CD1-CD 4.31Å; L118-K188 HydrophobicContact CD1-CG 3.94Å; L118-A190 HydrophobicContact CD1-CB 4.06Å; L118-A190 HydrophobicContact CG-CB 4.07Å; L118-A190 PolarHBondContact N-O 3.2Å; L118-A190 PolarHBondContact O-N 3.09Å
119	I	97.2	Very high	93	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.8	164.9	-58.5	167.4	0	0	0	105	Y92 I108 V110 Y161 I163 I169 F171 I189	Y92-I119 HydrophobicContact CE2-CD1 4.31Å; Y92-I119 HydrophobicContact CE2-CG1 3.99Å; I108-I119 HydrophobicContact CB-CB 4.18Å; I108-I119 PolarHBondContact N-O 2.92Å; I108-I119 PolarHBondContact O-N 3.05Å; V110-I119 HydrophobicContact CG2-CD1 4.03Å; V110-I119 HydrophobicContact CG2-CG1 3.96Å; I119-Y161 HydrophobicContact CG2-CD1 4.11Å; I119-Y161 HydrophobicContact CG2-CE1 4.07Å; I119-I163 HydrophobicContact CD1-CD1 3.7Å; I119-I169 HydrophobicContact CD1-CD1 3.74Å; I119-I169 HydrophobicContact CD1-CG1 4.38Å; I119-I169 HydrophobicContact CG1-CD1 4.16Å; I119-I169 HydrophobicContact CG2-CG2 4.19Å; I119-F171 HydrophobicContact CG2-CE1 3.44Å; I119-F171 VanDerWaalsContact CG2-CE1 3.44Å; I119-F171 HydrophobicContact CG2-CZ 3.6Å; I119-I189 HydrophobicContact CB-CG2 4.48Å; I119-I189 HydrophobicContact CG1-CG2 4.22Å; I119-I189 HydrophobicContact CG2-CG2 4.16Å
120	A	94.8	Very high	93	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	137.4	-171.7	0	0	0	0	0	111.4	L107 L118 Y122 F171 S187 K188	L107-A120 HydrophobicContact CD1-CB 4.3Å; L107-A120 HydrophobicContact CG-CB 4.35Å; L118-A120 HydrophobicContact CD1-CB 3.72Å; A120-Y122 HydrophobicContact CB-CD1 4.17Å; A120-F171 WeakPolarHBondContact O-CE2 3.15Å; A120-S187 CarbonylContact O-C 3.5Å; A120-S187 WeakPolarHBondContact O-CA 3.25Å; A120-K188 HydrophobicContact CB-CG 4.1Å; A120-K188 PolarHBondContact N-O 3.41Å; A120-K188 PolarHBondContact O-N 2.81Å; A120-K188 VanDerWaalsContact O-O 3.1Å
121	N	92	Very high	92.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	88	171.2	-177.8	-24.3	0	0	0	104.4	M144 T159 Y161 Y173 W185 S187	N121-M144 WeakPolarHBondContact O-CE 3.5Å; N121-T159 WeakPolarHBondContact ND2-CB 3.35Å; N121-Y161 WeakPolarHBondContact CA-OH 3.49Å; N121-Y161 HydrophobicContact CB-CD1 4.27Å; N121-Y161 HydrophobicContact CB-CE1 3.25Å; N121-Y161 WeakPolarHBondContact CB-OH 3.45Å; N121-Y161 PolarHBondContact N-OH 2.94Å; N121-Y161 PolarHBondContact O-OH 2.9Å; N121-Y173 WeakPolarHBondContact ND2-CE1 3.46Å; N121-W185 PolarHBondContact OD1-NE1 2.83Å; N121-S187 VanDerWaalsContact CG-OG 3.25Å; N121-S187 PolarHBondContact OD1-OG 3.11Å
122	Y	87.9	Confident	92.8	Very high	56 Å²	56	49.1 Å²	49.1	22%	0.22	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	154	-172	76	-83	0	0	0	110.9	A120 K186	A120-Y122 HydrophobicContact CB-CD1 4.17Å; Y122-K186 HydrophobicContact CD1-CB 4.21Å; Y122-K186 WeakPolarHBondContact CD1-O 3.1Å; Y122-K186 HydrophobicContact CE1-CB 3.61Å; Y122-K186 PolarHBondContact N-O 2.8Å; Y122-K186 PolarHBondContact O-N 3.08Å; Y122-K186 WeakPolarHBondContact OH-CD 3.29Å
123	L	89.5	Confident	92.9	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.042	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	119.4	172.5	-171.9	62.8	0	0	0	108.4	D125 T126 F146 I148 I180 K184 W185	L123-D125 PolarHBondContact O-N 3.32Å; L123-T126 HydrophobicContact CD2-CG2 3.84Å; L123-T126 PolarHBondContact O-N 3.21Å; L123-T126 VanDerWaalsContact O-N 3.12Å; L123-F146 HydrophobicContact CB-CD1 4.05Å; L123-F146 HydrophobicContact CB-CE1 4.2Å; L123-I148 HydrophobicContact CD2-CD1 3.49Å; L123-I148 VanDerWaalsContact CD2-CD1 3.49Å; L123-I148 HydrophobicContact CD2-CG1 3.61Å; L123-I180 HydrophobicContact CD1-CD1 4.09Å; L123-K184 HydrophobicContact CD1-CB 3.65Å; L123-W185 HydrophobicContact CD1-CB 4.27Å; L123-W185 HydrophobicContact CD1-CD2 4.15Å; L123-W185 HydrophobicContact CD1-CE3 3.82Å; L123-W185 HydrophobicContact CD1-CG 4.43Å; L123-W185 HydrophobicContact CD1-CZ3 4.36Å; L123-W185 HydrophobicContact CD2-CZ3 4.43Å
124	S	87.8	Confident	93.1	Very high	26 Å²	26	42 Å²	42	18%	0.182	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	133.3	-179.2	-56.8	0	0	0	0	110	T126 K184	S124-T126 PolarHBondContact O-N 3.36Å; S124-K184 WeakPolarHBondContact CB-O 3.3Å; S124-K184 PolarHBondContact N-O 2.85Å; S124-K184 PolarHBondContact OG-O 3.02Å
125	D	85.8	Confident	93.2	Very high	165 Å²	165	36.9 Å²	36.9	88%	0.882	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	11.4	-178.9	-48.2	-46.4	0	0	0	115.8	L123	L123-D125 PolarHBondContact O-N 3.32Å
126	T	91.5	Very high	93.1	Very high	38 Å²	38	35.3 Å²	35.3	23%	0.233	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-133.9	87.8	179.7	-50.3	0	0	0	0	109.7	L123 S124 F146 K147	L123-T126 HydrophobicContact CD2-CG2 3.84Å; L123-T126 PolarHBondContact O-N 3.21Å; L123-T126 VanDerWaalsContact O-N 3.12Å; S124-T126 PolarHBondContact O-N 3.36Å; T126-F146 WeakPolarHBondContact O-CD1 3.04Å; T126-K147 WeakPolarHBondContact CG2-O 3.46Å
127	P	92.5	Very high	92.9	Very high	80 Å²	80	42.7 Å²	42.7	52%	0.519	22%	0.219	S	C	.	.			trans	-65.6	151.3	175.7	28.8	-34	0	0	0	110.6
128	P	94.5	Very high	92.6	Very high	11 Å²	11	48.7 Å²	48.7	7%	0.071	25%	0.251	C	S	.	.			trans	-60.2	142.2	169.6	28.5	-36.7	0	0	0	110.7	S104 F131 M144 S145 F146	S104-P128 VanDerWaalsContact O-CD 3.31Å; S104-P128 WeakPolarHBondContact O-CD 3.45Å; P128-F131 HydrophobicContact CB-CE1 4.4Å; P128-F131 HydrophobicContact CB-CE2 4.45Å; P128-F131 HydrophobicContact CB-CZ 4.15Å; P128-F131 HydrophobicContact CG-CE1 3.69Å; P128-F131 HydrophobicContact CG-CE2 3.87Å; P128-F131 HydrophobicContact CG-CZ 3.24Å; P128-M144 HydrophobicContact CB-CB 3.97Å; P128-M144 HydrophobicContact CG-SD 4.43Å; P128-S145 CarbonylContact C-O 3.53Å; P128-S145 VanDerWaalsContact CA-O 3.23Å; P128-S145 WeakPolarHBondContact CA-O 3.46Å; P128-F146 HydrophobicContact CB-CD1 4.26Å; P128-F146 HydrophobicContact CB-CE1 3.92Å; P128-F146 HydrophobicContact CB-CE2 4.43Å; P128-F146 HydrophobicContact CB-CZ 4.01Å; P128-F146 HydrophobicContact CG-CE1 4.25Å; P128-F146 HydrophobicContact CG-CZ 4.4Å
129	F	94.8	Very high	92.5	Very high	113 Å²	113	49 Å²	49	50%	0.496	25%	0.253	S	S	.	.	S	Bend	trans	-97.2	-12.3	178.3	69.5	-96.6	0	0	0	113	S145 K147 T156	F129-S145 WeakPolarHBondContact CD1-O 3.16Å; F129-S145 WeakPolarHBondContact CE1-O 3.37Å; F129-S145 VanDerWaalsContact CZ-CB 3.45Å; F129-S145 PolarHBondContact N-O 2.78Å; F129-K147 HydrophobicContact CD1-CB 4.03Å; F129-K147 HydrophobicContact CE1-CB 4.12Å; F129-T156 HydrophobicContact CE1-CG2 4.17Å; F129-T156 HydrophobicContact CZ-CG2 3.86Å
130	E	95.2	Very high	92.3	Very high	46 Å²	46	49 Å²	49	22%	0.215	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	137.6	179.1	-176	172.2	70.4	0	0	109.9	K75 E132 M144 S145	K75-E130 WeakPolarHBondContact CD-OE2 3.15Å; K75-E130 WeakPolarHBondContact CE-OE2 3.45Å; K75-E130 IonicContact NZ-OE2 2.9Å; K75-E130 PolarHBondContact NZ-OE2 3.47Å; E130-E132 HydrophobicContact CG-CG 4.5Å; E130-M144 WeakPolarHBondContact O-CA 3.36Å; E130-S145 PolarHBondContact O-N 3.46Å
131	F	95.5	Very high	92.3	Very high	16 Å²	16	49 Å²	49	7%	0.07	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.2	171.8	-63.1	-92.7	0	0	0	108.9	K75 S76 L78 L81 I102 P128 I142 K143 M144	K75-F131 WeakPolarHBondContact CA-O 3.49Å; S76-F131 PolarHBondContact N-O 3.11Å; L78-F131 HydrophobicContact CD1-CE2 4.08Å; L78-F131 HydrophobicContact CD1-CZ 4.08Å; L81-F131 HydrophobicContact CD1-CB 3.84Å; L81-F131 HydrophobicContact CD1-CD1 4.2Å; L81-F131 HydrophobicContact CD1-CG 4.07Å; I102-F131 HydrophobicContact CG2-CE1 4.15Å; P128-F131 HydrophobicContact CB-CE1 4.4Å; P128-F131 HydrophobicContact CB-CE2 4.45Å; P128-F131 HydrophobicContact CB-CZ 4.15Å; P128-F131 HydrophobicContact CG-CE1 3.69Å; P128-F131 HydrophobicContact CG-CE2 3.87Å; P128-F131 HydrophobicContact CG-CZ 3.24Å; F131-I142 HydrophobicContact CD1-CG2 4.1Å; F131-K143 WeakPolarHBondContact CA-O 3.19Å; F131-M144 HydrophobicContact CD1-CG 3.78Å; F131-M144 HydrophobicContact CD1-SD 4.34Å; F131-M144 HydrophobicContact CE1-CG 3.89Å; F131-M144 HydrophobicContact CE1-SD 3.89Å
132	E	94.8	Very high	92.5	Very high	29 Å²	29	49 Å²	49	14%	0.136	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	134.7	168	-47.7	170.5	-122.3	0	0	108.4	F73 T74 K75 E130 I142 K143	F73-E132 HydrophobicContact CB-CB 3.96Å; F73-E132 HydrophobicContact CD1-CB 4.12Å; F73-E132 HydrophobicContact CG-CB 4.4Å; T74-E132 CarbonylContact O-C 3.6Å; T74-E132 WeakPolarHBondContact O-CA 3.46Å; K75-E132 HydrophobicContact CG-CG 4.38Å; E130-E132 HydrophobicContact CG-CG 4.5Å; E132-I142 CarbonylContact O-C 3.54Å; E132-I142 WeakPolarHBondContact O-CA 3.39Å; E132-K143 HydrophobicContact CB-CB 4.26Å; E132-K143 PolarHBondContact N-O 3.28Å; E132-K143 PolarHBondContact O-N 2.81Å; E132-K143 WeakPolarHBondContact OE1-CD 3.36Å; E132-K143 IonicContact OE2-NZ 2.66Å
133	V	94.2	Very high	92.8	Very high	14 Å²	14	47.7 Å²	47.7	9%	0.085	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	141.9	-174.9	177.5	0	0	0	0	111	F73 T74 L81 D135 F140 A141 I142	F73-V133 WeakPolarHBondContact CA-O 3.32Å; T74-V133 PolarHBondContact N-O 2.84Å; T74-V133 PolarHBondContact O-N 3.3Å; T74-V133 PolarHBondContact OG1-O 2.83Å; L81-V133 HydrophobicContact CD1-CG2 3.82Å; L81-V133 HydrophobicContact CD2-CB 4.43Å; L81-V133 HydrophobicContact CD2-CG2 3.57Å; L81-V133 HydrophobicContact CG-CG2 4.35Å; V133-D135 HydrophobicContact CG1-CB 4.29Å; V133-F140 HydrophobicContact CG1-CE2 3.94Å; V133-A141 WeakPolarHBondContact CA-O 3.16Å; V133-I142 HydrophobicContact CG2-CG1 4.15Å; V133-I142 HydrophobicContact CG2-CG2 4.33Å
134	L	93.6	Very high	93.1	Very high	25 Å²	25	47.3 Å²	47.3	13%	0.131	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	111.1	169.7	172.5	65.4	0	0	0	107.1	V68 F73 T136 L139 F140 A141	V68-L134 HydrophobicContact CG1-CD2 4.19Å; F73-L134 HydrophobicContact CD1-CB 3.77Å; F73-L134 HydrophobicContact CE1-CB 3.79Å; F73-L134 HydrophobicContact CE2-CD2 4.43Å; F73-L134 HydrophobicContact CG-CB 4.19Å; F73-L134 HydrophobicContact CZ-CB 4.22Å; F73-L134 HydrophobicContact CZ-CD2 4.47Å; L134-T136 HydrophobicContact CD1-CG2 3.66Å; L134-T136 HydrophobicContact CG-CG2 4.18Å; L134-L139 HydrophobicContact CD2-CD2 3.91Å; L134-F140 CarbonylContact O-C 3.43Å; L134-F140 WeakPolarHBondContact O-CA 3.44Å; L134-A141 HydrophobicContact CB-CB 4.31Å; L134-A141 PolarHBondContact N-O 2.87Å; L134-A141 PolarHBondContact O-N 3.18Å
135	D	92	Very high	93.5	Very high	42 Å²	42	46.1 Å²	46.1	23%	0.225	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	98	-178.3	172.7	37.4	0	0	0	110.1	K87 V133 F140	K87-D135 WeakPolarHBondContact CD-OD2 3.45Å; K87-D135 WeakPolarHBondContact CE-OD2 3.37Å; K87-D135 PolarHBondContact NZ-O 3.47Å; K87-D135 IonicContact NZ-OD2 3.46Å; K87-D135 PolarHBondContact NZ-OD2 2.74Å; V133-D135 HydrophobicContact CG1-CB 4.29Å; D135-F140 HydrophobicContact CB-CD2 3.86Å; D135-F140 HydrophobicContact CB-CE2 4.21Å
136	T	92.1	Very high	94	Very high	51 Å²	51	38.3 Å²	38.3	31%	0.313	20%	0.196	S	C	.	.			trans	-119.5	178.1	179.2	78.4	0	0	0	0	110.2	L134 D138 L139	L134-T136 HydrophobicContact CD1-CG2 3.66Å; L134-T136 HydrophobicContact CG-CG2 4.18Å; T136-D138 PolarHBondContact O-N 3.2Å; T136-D138 PolarHBondContact OG1-N 3.22Å; T136-L139 PolarHBondContact N-O 3.31Å; T136-L139 PolarHBondContact OG1-N 3.01Å; T136-L139 VanDerWaalsContact OG1-N 3.1Å; T136-L139 PolarHBondContact OG1-O 3.34Å
137	K	92	Very high	94.1	Very high	160 Å²	160	42.9 Å²	42.9	70%	0.696	21%	0.213	S	C	*	.	S	Bend	trans	-70.6	-19	175.1	-66.5	-177.4	179.3	-179.7	0	113.1	K87 F88	K87-K137 HydrophobicContact CB-CG 4.42Å; F88-K137 WeakPolarHBondContact CD1-O 3.39Å
138	D	91	Very high	94.1	Very high	126 Å²	126	39.6 Å²	39.6	67%	0.674	19%	0.191	S	C	*	.	S	Bend	trans	-109.5	-16.2	-171.8	-53.1	-52.5	0	0	0	112.5	T136 P165	T136-D138 PolarHBondContact O-N 3.2Å; T136-D138 PolarHBondContact OG1-N 3.22Å; D138-P165 WeakPolarHBondContact O-CD 3.4Å
139	L	93.2	Very high	93.9	Very high	22 Å²	22	43.7 Å²	43.7	12%	0.115	22%	0.215	C	C	.	.			trans	-157.7	132.1	-177.1	178.7	62.3	0	0	0	110.8	V68 L134 T136 A141 L162 Y164	V68-L139 HydrophobicContact CG2-CD2 4.03Å; L134-L139 HydrophobicContact CD2-CD2 3.91Å; T136-L139 PolarHBondContact N-O 3.31Å; T136-L139 PolarHBondContact OG1-N 3.01Å; T136-L139 VanDerWaalsContact OG1-N 3.1Å; T136-L139 PolarHBondContact OG1-O 3.34Å; L139-A141 HydrophobicContact CD1-CB 4.44Å; L139-A141 HydrophobicContact CD2-CB 4.3Å; L139-A141 HydrophobicContact CG-CB 4.17Å; L139-L162 HydrophobicContact CD1-CB 3.99Å; L139-L162 HydrophobicContact CD1-CD2 4.27Å; L139-L162 HydrophobicContact CD2-CD2 4.35Å; L139-Y164 HydrophobicContact CD1-CD1 3.97Å; L139-Y164 HydrophobicContact CD1-CE1 3.76Å; L139-Y164 HydrophobicContact CD1-CE2 4.41Å; L139-Y164 HydrophobicContact CD1-CG 4.39Å
140	F	94.3	Very high	93.7	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.7	160.5	178.1	-104.5	0	0	0	108.8	V84 F88 F100 V133 L134 D135 I142 L162 I163	V84-F140 HydrophobicContact CB-CZ 4.4Å; V84-F140 HydrophobicContact CG1-CD2 4.3Å; V84-F140 HydrophobicContact CG1-CE2 3.58Å; V84-F140 HydrophobicContact CG1-CZ 3.8Å; V84-F140 HydrophobicContact CG2-CZ 4.41Å; F88-F140 HydrophobicContact CE1-CB 3.84Å; F88-F140 HydrophobicContact CZ-CB 3.79Å; F100-F140 HydrophobicContact CD2-CE1 4.35Å; F100-F140 HydrophobicContact CE2-CD1 4.39Å; V133-F140 HydrophobicContact CG1-CE2 3.94Å; L134-F140 CarbonylContact O-C 3.43Å; L134-F140 WeakPolarHBondContact O-CA 3.44Å; D135-F140 HydrophobicContact CB-CD2 3.86Å; D135-F140 HydrophobicContact CB-CE2 4.21Å; F140-I142 HydrophobicContact CE1-CD1 3.72Å; F140-I142 HydrophobicContact CE1-CG1 3.76Å; F140-I142 HydrophobicContact CE2-CG1 4.5Å; F140-I142 HydrophobicContact CZ-CD1 3.66Å; F140-I142 HydrophobicContact CZ-CG1 3.66Å; F140-L162 CarbonylContact O-C 3.5Å; F140-I163 HydrophobicContact CB-CB 4.31Å; F140-I163 HydrophobicContact CD1-CB 4.31Å; F140-I163 HydrophobicContact CD1-CD1 4.04Å; F140-I163 HydrophobicContact CD1-CG1 4.37Å; F140-I163 PolarHBondContact N-O 2.93Å; F140-I163 PolarHBondContact O-N 2.76Å
141	A	94.9	Very high	93.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	144.1	-179.8	0	0	0	0	0	111.9	F73 V133 L134 L139 Y161 L162	F73-A141 HydrophobicContact CE1-CB 3.78Å; F73-A141 HydrophobicContact CZ-CB 3.76Å; V133-A141 WeakPolarHBondContact CA-O 3.16Å; L134-A141 HydrophobicContact CB-CB 4.31Å; L134-A141 PolarHBondContact N-O 2.87Å; L134-A141 PolarHBondContact O-N 3.18Å; L139-A141 HydrophobicContact CD1-CB 4.44Å; L139-A141 HydrophobicContact CD2-CB 4.3Å; L139-A141 HydrophobicContact CG-CB 4.17Å; A141-Y161 CarbonylContact C-O 3.52Å; A141-Y161 WeakPolarHBondContact CA-O 3.39Å; A141-Y161 VanDerWaalsContact CB-O 3.25Å; A141-Y161 WeakPolarHBondContact CB-O 3.46Å; A141-L162 HydrophobicContact CB-CG 4.36Å
142	I	94.9	Very high	93.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	123.3	175.7	-53.8	178.7	0	0	0	107.3	I102 I108 F131 E132 V133 F140 M144 T160 Y161	I102-I142 HydrophobicContact CD1-CD1 4.08Å; I102-I142 HydrophobicContact CG1-CD1 3.42Å; I102-I142 VanDerWaalsContact CG1-CD1 3.42Å; I102-I142 HydrophobicContact CG2-CD1 4.47Å; I108-I142 HydrophobicContact CD1-CD1 3.9Å; F131-I142 HydrophobicContact CD1-CG2 4.1Å; E132-I142 CarbonylContact O-C 3.54Å; E132-I142 WeakPolarHBondContact O-CA 3.39Å; V133-I142 HydrophobicContact CG2-CG1 4.15Å; V133-I142 HydrophobicContact CG2-CG2 4.33Å; F140-I142 HydrophobicContact CE1-CD1 3.72Å; F140-I142 HydrophobicContact CE1-CG1 3.76Å; F140-I142 HydrophobicContact CE2-CG1 4.5Å; F140-I142 HydrophobicContact CZ-CD1 3.66Å; F140-I142 HydrophobicContact CZ-CG1 3.66Å; I142-M144 HydrophobicContact CG2-CG 3.92Å; I142-T160 CarbonylContact O-C 3.59Å; I142-T160 VanDerWaalsContact O-CA 3.29Å; I142-T160 WeakPolarHBondContact O-CA 3.4Å; I142-Y161 HydrophobicContact CB-CD2 4.1Å; I142-Y161 PolarHBondContact N-O 2.92Å; I142-Y161 PolarHBondContact O-N 2.87Å
143	K	95.3	Very high	93	Very high	29 Å²	29	53.2 Å²	53.2	13%	0.126	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	131.5	170.3	-171.7	-173.4	-57.2	164.8	0	108.8	F73 F131 E132 K158 T159 T160	F73-K143 HydrophobicContact CD1-CB 4.27Å; F73-K143 HydrophobicContact CE1-CB 4.07Å; F131-K143 WeakPolarHBondContact CA-O 3.19Å; E132-K143 HydrophobicContact CB-CB 4.26Å; E132-K143 PolarHBondContact N-O 3.28Å; E132-K143 PolarHBondContact O-N 2.81Å; E132-K143 WeakPolarHBondContact OE1-CD 3.36Å; E132-K143 IonicContact OE2-NZ 2.66Å; K143-K158 HydrophobicContact CD-CD 4.15Å; K143-K158 HydrophobicContact CG-CB 4.49Å; K143-T159 CarbonylContact C-O 3.56Å; K143-T159 WeakPolarHBondContact CA-O 3.36Å; K143-T160 HydrophobicContact CB-CG2 4.46Å
144	M	95.7	Very high	92.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	129.6	-176.8	-62.6	-178.2	-60.6	0	0	109.1	G106 N121 P128 E130 F131 I142 F146 K158 T159 Y161	G106-M144 WeakPolarHBondContact CA-SD 3.42Å; N121-M144 WeakPolarHBondContact O-CE 3.5Å; P128-M144 HydrophobicContact CB-CB 3.97Å; P128-M144 HydrophobicContact CG-SD 4.43Å; E130-M144 WeakPolarHBondContact O-CA 3.36Å; F131-M144 HydrophobicContact CD1-CG 3.78Å; F131-M144 HydrophobicContact CD1-SD 4.34Å; F131-M144 HydrophobicContact CE1-CG 3.89Å; F131-M144 HydrophobicContact CE1-SD 3.89Å; I142-M144 HydrophobicContact CG2-CG 3.92Å; M144-F146 HydrophobicContact CB-CE2 3.63Å; M144-F146 HydrophobicContact CB-CZ 4.01Å; M144-F146 HydrophobicContact CE-CE2 4.32Å; M144-F146 HydrophobicContact CE-CZ 4.11Å; M144-F146 HydrophobicContact SD-CZ 4.46Å; M144-K158 CarbonylContact O-C 3.59Å; M144-K158 WeakPolarHBondContact O-CA 3.11Å; M144-T159 WeakPolarHBondContact CE-OG1 3.4Å; M144-T159 PolarHBondContact N-O 2.82Å; M144-T159 PolarHBondContact O-N 2.03Å; M144-Y161 HydrophobicContact CE-CD2 3.89Å; M144-Y161 HydrophobicContact CE-CE1 4.37Å; M144-Y161 HydrophobicContact CE-CE2 3.14Å; M144-Y161 VanDerWaalsContact CE-CZ 3.44Å; M144-Y161 HydrophobicContact SD-CD2 4.38Å; M144-Y161 HydrophobicContact SD-CE2 3.66Å
145	S	96.2	Very high	92.9	Very high	1 Å²	1	57 Å²	57	1%	0.007	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	131.2	176.8	-61.4	0	0	0	0	110.8	P128 F129 E130	P128-S145 CarbonylContact C-O 3.53Å; P128-S145 VanDerWaalsContact CA-O 3.23Å; P128-S145 WeakPolarHBondContact CA-O 3.46Å; F129-S145 WeakPolarHBondContact CD1-O 3.16Å; F129-S145 WeakPolarHBondContact CE1-O 3.37Å; F129-S145 VanDerWaalsContact CZ-CB 3.45Å; F129-S145 PolarHBondContact N-O 2.78Å; E130-S145 PolarHBondContact O-N 3.46Å
146	F	95.2	Very high	93.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.5	-179.5	-59.6	-96.2	0	0	0	110	L123 T126 P128 M144 I148 T156 S157 T159 W185	L123-F146 HydrophobicContact CB-CD1 4.05Å; L123-F146 HydrophobicContact CB-CE1 4.2Å; T126-F146 WeakPolarHBondContact O-CD1 3.04Å; P128-F146 HydrophobicContact CB-CD1 4.26Å; P128-F146 HydrophobicContact CB-CE1 3.92Å; P128-F146 HydrophobicContact CB-CE2 4.43Å; P128-F146 HydrophobicContact CB-CZ 4.01Å; P128-F146 HydrophobicContact CG-CE1 4.25Å; P128-F146 HydrophobicContact CG-CZ 4.4Å; M144-F146 HydrophobicContact CB-CE2 3.63Å; M144-F146 HydrophobicContact CB-CZ 4.01Å; M144-F146 HydrophobicContact CE-CE2 4.32Å; M144-F146 HydrophobicContact CE-CZ 4.11Å; M144-F146 HydrophobicContact SD-CZ 4.46Å; F146-I148 HydrophobicContact CB-CD1 4.34Å; F146-I148 HydrophobicContact CB-CG1 4.07Å; F146-T156 WeakPolarHBondContact O-CA 3.44Å; F146-S157 PolarHBondContact N-O 3.32Å; F146-S157 PolarHBondContact O-N 3.44Å; F146-T159 HydrophobicContact CE2-CG2 4.46Å; F146-T159 WeakPolarHBondContact CE2-OG1 3.02Å; F146-W185 HydrophobicContact CD2-CH2 4.32Å; F146-W185 HydrophobicContact CD2-CZ2 4.45Å; F146-W185 HydrophobicContact CE2-CZ2 4.44Å
147	K	94.8	Very high	93.3	Very high	135 Å²	135	55.9 Å²	55.9	59%	0.587	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	108.1	172.5	-165.1	170.4	-164.8	174.5	0	108.8	T126 F129 S154	T126-K147 WeakPolarHBondContact CG2-O 3.46Å; F129-K147 HydrophobicContact CD1-CB 4.03Å; F129-K147 HydrophobicContact CE1-CB 4.12Å; K147-S154 WeakPolarHBondContact CE-OG 3.38Å
148	I	92	Very high	93.5	Very high	10 Å²	10	50.8 Å²	50.8	5%	0.051	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136	-173.4	-50.3	-173.6	0	0	0	108.6	L123 F146 V150 S154 F155 S157 P177 I180 W185	L123-I148 HydrophobicContact CD2-CD1 3.49Å; L123-I148 VanDerWaalsContact CD2-CD1 3.49Å; L123-I148 HydrophobicContact CD2-CG1 3.61Å; F146-I148 HydrophobicContact CB-CD1 4.34Å; F146-I148 HydrophobicContact CB-CG1 4.07Å; I148-V150 HydrophobicContact CG2-CG2 3.86Å; I148-S154 CarbonylContact O-C 3.6Å; I148-S154 WeakPolarHBondContact O-CA 3.41Å; I148-F155 PolarHBondContact N-O 3.21Å; I148-F155 PolarHBondContact O-N 3.46Å; I148-S157 WeakPolarHBondContact CD1-OG 3Å; I148-P177 HydrophobicContact CG2-CG 4.47Å; I148-I180 HydrophobicContact CD1-CD1 3.85Å; I148-I180 HydrophobicContact CG2-CD1 4.04Å; I148-W185 HydrophobicContact CD1-CE3 4.36Å; I148-W185 HydrophobicContact CD1-CH2 3.99Å; I148-W185 HydrophobicContact CD1-CZ3 3.4Å
149	T	91	Very high	93.7	Very high	97 Å²	97	44.8 Å²	44.8	60%	0.595	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	121	173.2	-58.7	0	0	0	0	109.5	K153	T149-K153 CarbonylContact C-O 3.58Å; T149-K153 VanDerWaalsContact CA-O 3.32Å; T149-K153 WeakPolarHBondContact CA-O 3.45Å
150	V	89.4	Confident	93.8	Very high	17 Å²	17	43.8 Å²	43.8	10%	0.103	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.4	177.6	-176.5	0	0	0	0	107.8	I148 S152 K153 F155 P177 D179	I148-V150 HydrophobicContact CG2-CG2 3.86Å; V150-S152 VanDerWaalsContact C-N 3.25Å; V150-S152 PolarHBondContact O-N 2.9Å; V150-K153 PolarHBondContact N-O 3.05Å; V150-K153 PolarHBondContact O-N 3.39Å; V150-F155 HydrophobicContact CB-CE2 4.1Å; V150-P177 HydrophobicContact CG2-CB 4.06Å; V150-P177 HydrophobicContact CG2-CG 4.2Å; V150-D179 HydrophobicContact CG1-CB 3.8Å; V150-D179 WeakPolarHBondContact CG1-O 3.3Å
151	N	89.9	Confident	93.9	Very high	126 Å²	126	43.8 Å²	43.8	67%	0.674	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.1	45.3	-179.7	-59.9	-29.5	0	0	0	113	K153 D179	N151-K153 PolarHBondContact O-N 3.14Å; N151-K153 VanDerWaalsContact O-N 3.07Å; N151-D179 PolarHBondContact ND2-OD2 2.85Å
152	S	88.1	Confident	93.9	Very high	126 Å²	126	43.8 Å²	43.8	88%	0.881	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	7.2	-177	-54.4	0	0	0	0	116.1	V150	V150-S152 VanDerWaalsContact C-N 3.25Å; V150-S152 PolarHBondContact O-N 2.9Å
153	K	92.9	Very high	94	Very high	136 Å²	136	43.8 Å²	43.8	59%	0.591	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	132	173.7	-174.1	172.6	174.4	-175.7	0	110.1	T149 V150 N151 F155	T149-K153 CarbonylContact C-O 3.58Å; T149-K153 VanDerWaalsContact CA-O 3.32Å; T149-K153 WeakPolarHBondContact CA-O 3.45Å; V150-K153 PolarHBondContact N-O 3.05Å; V150-K153 PolarHBondContact O-N 3.39Å; N151-K153 PolarHBondContact O-N 3.14Å; N151-K153 VanDerWaalsContact O-N 3.07Å; K153-F155 HydrophobicContact CB-CE2 3.78Å; K153-F155 HydrophobicContact CB-CZ 4.09Å; K153-F155 HydrophobicContact CD-CE1 4.04Å; K153-F155 HydrophobicContact CD-CE2 4.1Å; K153-F155 HydrophobicContact CD-CZ 3.54Å; K153-F155 HydrophobicContact CG-CD2 4.43Å; K153-F155 HydrophobicContact CG-CE1 4.37Å; K153-F155 HydrophobicContact CG-CE2 3.77Å; K153-F155 HydrophobicContact CG-CZ 3.75Å; K153-F155 VanDerWaalsContact O-CD2 3.3Å; K153-F155 WeakPolarHBondContact O-CD2 3.01Å; K153-F155 WeakPolarHBondContact O-CE2 3.41Å
154	S	92.9	Very high	93.9	Very high	60 Å²	60	44.2 Å²	44.2	42%	0.42	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	137.8	176.3	-168.1	0	0	0	0	110.8	K147 I148	K147-S154 WeakPolarHBondContact CE-OG 3.38Å; I148-S154 CarbonylContact O-C 3.6Å; I148-S154 WeakPolarHBondContact O-CA 3.41Å
155	F	94.1	Very high	93.6	Very high	58 Å²	58	46.6 Å²	46.6	25%	0.254	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	146.8	179.7	-59.2	-96.4	0	0	0	109.2	I148 V150 K153 P177	I148-F155 PolarHBondContact N-O 3.21Å; I148-F155 PolarHBondContact O-N 3.46Å; V150-F155 HydrophobicContact CB-CE2 4.1Å; K153-F155 HydrophobicContact CB-CE2 3.78Å; K153-F155 HydrophobicContact CB-CZ 4.09Å; K153-F155 HydrophobicContact CD-CE1 4.04Å; K153-F155 HydrophobicContact CD-CE2 4.1Å; K153-F155 HydrophobicContact CD-CZ 3.54Å; K153-F155 HydrophobicContact CG-CD2 4.43Å; K153-F155 HydrophobicContact CG-CE1 4.37Å; K153-F155 HydrophobicContact CG-CE2 3.77Å; K153-F155 HydrophobicContact CG-CZ 3.75Å; K153-F155 VanDerWaalsContact O-CD2 3.3Å; K153-F155 WeakPolarHBondContact O-CD2 3.01Å; K153-F155 WeakPolarHBondContact O-CE2 3.41Å; F155-P177 HydrophobicContact CB-CG 3.94Å; F155-P177 HydrophobicContact CD1-CG 4.15Å; F155-P177 HydrophobicContact CD2-CB 4.3Å; F155-P177 HydrophobicContact CD2-CG 3.78Å; F155-P177 HydrophobicContact CE2-CB 4.3Å; F155-P177 HydrophobicContact CE2-CG 4.27Å; F155-P177 HydrophobicContact CG-CB 4.45Å; F155-P177 HydrophobicContact CG-CG 3.7Å; F155-P177 HydrophobicContact CZ-CB 4.43Å
156	T	96.2	Very high	93.1	Very high	70 Å²	70	50.1 Å²	50.1	43%	0.429	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	104.6	165	-59.8	0	0	0	0	107.7	F129 F146	F129-T156 HydrophobicContact CE1-CG2 4.17Å; F129-T156 HydrophobicContact CZ-CG2 3.86Å; F146-T156 WeakPolarHBondContact O-CA 3.44Å
157	S	95.5	Very high	92.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	145.6	176.1	-59	0	0	0	0	109.1	F146 I148 N175 P177	F146-S157 PolarHBondContact N-O 3.32Å; F146-S157 PolarHBondContact O-N 3.44Å; I148-S157 WeakPolarHBondContact CD1-OG 3Å; S157-N175 WeakPolarHBondContact CB-O 3.42Å; S157-N175 PolarHBondContact OG-O 3.39Å; S157-P177 WeakPolarHBondContact OG-CD 3.22Å
158	K	95.6	Very high	92.7	Very high	53 Å²	53	44.8 Å²	44.8	23%	0.23	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	144.8	177.4	-50.8	-178.5	-179.5	178.9	0	110.3	K143 M144 E174	K143-K158 HydrophobicContact CD-CD 4.15Å; K143-K158 HydrophobicContact CG-CB 4.49Å; M144-K158 CarbonylContact O-C 3.59Å; M144-K158 WeakPolarHBondContact O-CA 3.11Å; K158-E174 HydrophobicContact CB-CB 4.14Å; K158-E174 PolarHBondContact N-O 2.93Å; K158-E174 PolarHBondContact O-N 3.35Å
159	T	96	Very high	93	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.8	165.9	61.4	0	0	0	0	110.8	N121 K143 M144 F146 Y172 Y173 I176 W185	N121-T159 WeakPolarHBondContact ND2-CB 3.35Å; K143-T159 CarbonylContact C-O 3.56Å; K143-T159 WeakPolarHBondContact CA-O 3.36Å; M144-T159 WeakPolarHBondContact CE-OG1 3.4Å; M144-T159 PolarHBondContact N-O 2.82Å; M144-T159 PolarHBondContact O-N 2.03Å; F146-T159 HydrophobicContact CE2-CG2 4.46Å; F146-T159 WeakPolarHBondContact CE2-OG1 3.02Å; T159-Y172 CarbonylContact C-O 3.55Å; T159-Y172 VanDerWaalsContact CA-O 3.25Å; T159-Y172 WeakPolarHBondContact CA-O 3.44Å; T159-Y173 HydrophobicContact CG2-CD1 3.56Å; T159-Y173 HydrophobicContact CG2-CE1 4.08Å; T159-Y173 HydrophobicContact CG2-CG 4.44Å; T159-I176 HydrophobicContact CG2-CD1 4.48Å; T159-W185 HydrophobicContact CG2-CH2 3.97Å; T159-W185 HydrophobicContact CG2-CZ2 3.29Å
160	T	96	Very high	93.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.6	-179.2	-51.1	0	0	0	0	109.3	H66 F73 I142 K143 L162 F171 Y172	H66-T160 PolarHBondContact NE2-OG1 3.29Å; F73-T160 HydrophobicContact CZ-CG2 4.06Å; I142-T160 CarbonylContact O-C 3.59Å; I142-T160 VanDerWaalsContact O-CA 3.29Å; I142-T160 WeakPolarHBondContact O-CA 3.4Å; K143-T160 HydrophobicContact CB-CG2 4.46Å; T160-L162 HydrophobicContact CG2-CD1 3.84Å; T160-L162 HydrophobicContact CG2-CG 4.13Å; T160-F171 WeakPolarHBondContact O-CA 3.47Å; T160-Y172 PolarHBondContact N-O 2.92Å; T160-Y172 PolarHBondContact O-N 3.16Å
161	Y	95.9	Very high	93.6	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	137.8	160.3	-57.5	-59.8	0	0	0	109.3	G106 I108 I119 N121 A141 I142 M144 S170 F171	G106-Y161 WeakPolarHBondContact O-CE2 3.37Å; G106-Y161 PolarHBondContact O-OH 3.14Å; I108-Y161 HydrophobicContact CD1-CD2 3.64Å; I108-Y161 HydrophobicContact CD1-CE2 3.93Å; I108-Y161 HydrophobicContact CD1-CG 4.1Å; I108-Y161 HydrophobicContact CG1-CD2 4.22Å; I108-Y161 HydrophobicContact CG1-CE2 3.99Å; I119-Y161 HydrophobicContact CG2-CD1 4.11Å; I119-Y161 HydrophobicContact CG2-CE1 4.07Å; N121-Y161 WeakPolarHBondContact CA-OH 3.49Å; N121-Y161 HydrophobicContact CB-CD1 4.27Å; N121-Y161 HydrophobicContact CB-CE1 3.25Å; N121-Y161 WeakPolarHBondContact CB-OH 3.45Å; N121-Y161 PolarHBondContact N-OH 2.94Å; N121-Y161 PolarHBondContact O-OH 2.9Å; A141-Y161 CarbonylContact C-O 3.52Å; A141-Y161 WeakPolarHBondContact CA-O 3.39Å; A141-Y161 VanDerWaalsContact CB-O 3.25Å; A141-Y161 WeakPolarHBondContact CB-O 3.46Å; I142-Y161 HydrophobicContact CB-CD2 4.1Å; I142-Y161 PolarHBondContact N-O 2.92Å; I142-Y161 PolarHBondContact O-N 2.87Å; M144-Y161 HydrophobicContact CE-CD2 3.89Å; M144-Y161 HydrophobicContact CE-CE1 4.37Å; M144-Y161 HydrophobicContact CE-CE2 3.14Å; M144-Y161 VanDerWaalsContact CE-CZ 3.44Å; M144-Y161 HydrophobicContact SD-CD2 4.38Å; M144-Y161 HydrophobicContact SD-CE2 3.66Å; Y161-S170 CarbonylContact C-O 3.58Å; Y161-S170 WeakPolarHBondContact CA-O 3.39Å; Y161-F171 AromaticContact CD1-CD1 3.53Å; Y161-F171 HydrophobicContact CD1-CD1 3.53Å; Y161-F171 AromaticContact CD1-CE1 3.45Å; Y161-F171 HydrophobicContact CD1-CE1 3.45Å; Y161-F171 VanDerWaalsContact CD1-CE1 3.45Å; Y161-F171 HydrophobicContact CD1-CZ 4.38Å; Y161-F171 HydrophobicContact CE1-CD1 4.01Å; Y161-F171 AromaticContact CE1-CE1 3.71Å; Y161-F171 HydrophobicContact CE1-CE1 3.71Å; Y161-F171 HydrophobicContact CE1-CZ 4.21Å
162	L	95.5	Very high	94	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127.1	169	-59.1	97.3	0	0	0	108.2	P67 V68 L139 F140 A141 T160 Y164 I169 S170	P67-L162 HydrophobicContact CB-CD2 4.02Å; P67-L162 HydrophobicContact CG-CD1 3.65Å; P67-L162 HydrophobicContact CG-CD2 3.7Å; P67-L162 HydrophobicContact CG-CG 4.37Å; V68-L162 HydrophobicContact CG2-CD2 3.59Å; L139-L162 HydrophobicContact CD1-CB 3.99Å; L139-L162 HydrophobicContact CD1-CD2 4.27Å; L139-L162 HydrophobicContact CD2-CD2 4.35Å; F140-L162 CarbonylContact O-C 3.5Å; A141-L162 HydrophobicContact CB-CG 4.36Å; T160-L162 HydrophobicContact CG2-CD1 3.84Å; T160-L162 HydrophobicContact CG2-CG 4.13Å; L162-Y164 HydrophobicContact CB-CE2 3.69Å; L162-Y164 WeakPolarHBondContact CD2-OH 3.43Å; L162-I169 CarbonylContact O-C 3.6Å; L162-I169 VanDerWaalsContact O-CA 3.27Å; L162-I169 WeakPolarHBondContact O-CA 3.17Å; L162-S170 PolarHBondContact N-O 2.77Å; L162-S170 PolarHBondContact O-N 3.41Å
163	I	95.7	Very high	94.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	121.3	179.9	-59.3	-174.4	0	0	0	107.4	F88 F90 F100 I119 F140	F88-I163 HydrophobicContact CE2-CG2 4.38Å; F88-I163 HydrophobicContact CZ-CG2 4.3Å; F88-I163 WeakPolarHBondContact CZ-O 3.35Å; F90-I163 HydrophobicContact CD1-CG2 4.23Å; F90-I163 HydrophobicContact CD2-CG2 3.53Å; F90-I163 HydrophobicContact CE1-CG2 4.01Å; F90-I163 HydrophobicContact CE2-CG2 3.3Å; F90-I163 HydrophobicContact CG-CG2 4Å; F90-I163 HydrophobicContact CZ-CG2 3.56Å; F100-I163 HydrophobicContact CE1-CD1 4.29Å; F100-I163 HydrophobicContact CE2-CD1 4.27Å; F100-I163 HydrophobicContact CZ-CD1 3.92Å; F100-I163 HydrophobicContact CZ-CG2 4.28Å; I119-I163 HydrophobicContact CD1-CD1 3.7Å; F140-I163 HydrophobicContact CB-CB 4.31Å; F140-I163 HydrophobicContact CD1-CB 4.31Å; F140-I163 HydrophobicContact CD1-CD1 4.04Å; F140-I163 HydrophobicContact CD1-CG1 4.37Å; F140-I163 PolarHBondContact N-O 2.93Å; F140-I163 PolarHBondContact O-N 2.76Å
164	Y	93.2	Very high	94.6	Very high	39 Å²	39	23.4 Å²	23.4	15%	0.153	12%	0.123	C	C	.	.			trans	-107.1	152.1	-174.7	-60.7	-93.5	0	0	0	111.3	F90 L139 L162 N166 G167 R168	F90-Y164 WeakPolarHBondContact CD2-O 3.48Å; L139-Y164 HydrophobicContact CD1-CD1 3.97Å; L139-Y164 HydrophobicContact CD1-CE1 3.76Å; L139-Y164 HydrophobicContact CD1-CE2 4.41Å; L139-Y164 HydrophobicContact CD1-CG 4.39Å; L162-Y164 HydrophobicContact CB-CE2 3.69Å; L162-Y164 WeakPolarHBondContact CD2-OH 3.43Å; Y164-N166 VanDerWaalsContact CB-OD1 3.25Å; Y164-N166 WeakPolarHBondContact CB-OD1 3.26Å; Y164-N166 PolarHBondContact O-N 2.9Å; Y164-N166 VanDerWaalsContact O-N 3.13Å; Y164-G167 PolarHBondContact O-N 3.03Å; Y164-R168 HydrophobicContact CD2-CB 3.85Å; Y164-R168 HydrophobicContact CD2-CG 3.92Å; Y164-R168 WeakPolarHBondContact CD2-O 3.34Å; Y164-R168 VanDerWaalsContact CE1-NH2 3.3Å; Y164-R168 HydrophobicContact CE2-CG 4.31Å; Y164-R168 HydrophobicContact CG-CB 4.31Å; Y164-R168 PolarHBondContact N-O 3.48Å
165	P	90.1	Very high	94.7	Very high	50 Å²	50	24.6 Å²	24.6	33%	0.325	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.7	177.3	-26.2	32.7	0	0	0	114.7	F88 D138 G167	F88-P165 HydrophobicContact CB-CB 4.29Å; F88-P165 HydrophobicContact CB-CG 4.13Å; F88-P165 HydrophobicContact CD1-CG 4.14Å; F88-P165 HydrophobicContact CD2-CB 3.89Å; F88-P165 HydrophobicContact CD2-CG 3.83Å; F88-P165 HydrophobicContact CE2-CB 4.46Å; F88-P165 HydrophobicContact CE2-CG 4.22Å; F88-P165 HydrophobicContact CG-CB 4.17Å; F88-P165 HydrophobicContact CG-CG 3.78Å; D138-P165 WeakPolarHBondContact O-CD 3.4Å; P165-G167 PolarHBondContact O-N 3.13Å
166	N	85.6	Confident	94.7	Very high	75 Å²	75	22.3 Å²	22.3	40%	0.401	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-0.3	179	70.2	-7.2	0	0	0	114.1	Y164 R168 D259	Y164-N166 VanDerWaalsContact CB-OD1 3.25Å; Y164-N166 WeakPolarHBondContact CB-OD1 3.26Å; Y164-N166 PolarHBondContact O-N 2.9Å; Y164-N166 VanDerWaalsContact O-N 3.13Å; N166-R168 WeakPolarHBondContact OD1-CB 3.32Å; N166-R168 PolarHBondContact OD1-N 3.25Å; N166-D259 PolarHBondContact ND2-OD2 3.07Å
167	G	89.5	Confident	94.5	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.01	10%	0.098	C	C	.	.	S	Bend	trans	92.1	-2.3	-178.4	0	0	0	0	0	114.2	K91 Y164 P165	K91-G167 WeakPolarHBondContact O-CA 3.47Å; Y164-G167 PolarHBondContact O-N 3.03Å; P165-G167 PolarHBondContact O-N 3.13Å
168	R	92.3	Very high	94.2	Very high	22 Å²	22	25.8 Å²	25.8	8%	0.083	14%	0.137	C	C	.	.			trans	-67.3	136.6	173.7	-175.8	173.5	67	-167.7	8.6	109.8	Y164 N166 F219 D259 E261	Y164-R168 HydrophobicContact CD2-CB 3.85Å; Y164-R168 HydrophobicContact CD2-CG 3.92Å; Y164-R168 WeakPolarHBondContact CD2-O 3.34Å; Y164-R168 VanDerWaalsContact CE1-NH2 3.3Å; Y164-R168 HydrophobicContact CE2-CG 4.31Å; Y164-R168 HydrophobicContact CG-CB 4.31Å; Y164-R168 PolarHBondContact N-O 3.48Å; N166-R168 WeakPolarHBondContact OD1-CB 3.32Å; N166-R168 PolarHBondContact OD1-N 3.25Å; R168-F219 WeakPolarHBondContact CA-O 3.17Å; R168-D259 IonicContact CZ-OD2 2.62Å; R168-D259 IonicContact NE-OD2 3.39Å; R168-D259 IonicContact NH1-OD1 2.98Å; R168-D259 IonicContact NH1-OD2 2.67Å; R168-D259 PolarHBondContact NH1-OD2 2.9Å; R168-E261 IonicContact CZ-OE2 3.53Å; R168-E261 IonicContact NH1-OE2 3.31Å; R168-E261 PolarHBondContact NH1-OE2 3.46Å; R168-E261 IonicContact NH2-OE2 3.6Å; R168-E261 PolarHBondContact NH2-OE2 3.39Å
169	I	96.8	Very high	93.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.5	170.8	-59.1	163.2	0	0	0	107.3	F90 Y92 I119 L162 F171 I189 D218 F219	F90-I169 HydrophobicContact CE2-CG1 4.42Å; F90-I169 HydrophobicContact CZ-CD1 4.06Å; F90-I169 HydrophobicContact CZ-CG1 3.95Å; Y92-I169 HydrophobicContact CD2-CD1 3.65Å; Y92-I169 HydrophobicContact CE2-CD1 3.57Å; I119-I169 HydrophobicContact CD1-CD1 3.74Å; I119-I169 HydrophobicContact CD1-CG1 4.38Å; I119-I169 HydrophobicContact CG1-CD1 4.16Å; I119-I169 HydrophobicContact CG2-CG2 4.19Å; L162-I169 CarbonylContact O-C 3.6Å; L162-I169 VanDerWaalsContact O-CA 3.27Å; L162-I169 WeakPolarHBondContact O-CA 3.17Å; I169-F171 HydrophobicContact CG2-CD1 4.3Å; I169-F171 HydrophobicContact CG2-CE1 3.73Å; I169-I189 HydrophobicContact CD1-CG2 4.26Å; I169-D218 CarbonylContact O-C 3.48Å; I169-F219 HydrophobicContact CB-CB 4.32Å; I169-F219 HydrophobicContact CB-CD2 4.42Å; I169-F219 HydrophobicContact CG2-CD2 4.44Å; I169-F219 PolarHBondContact N-O 3.3Å; I169-F219 PolarHBondContact O-N 3.39Å
170	S	97	Very high	93.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	141.9	175.7	-44.1	0	0	0	0	112	Y161 L162 V217 D218	Y161-S170 CarbonylContact C-O 3.58Å; Y161-S170 WeakPolarHBondContact CA-O 3.39Å; L162-S170 PolarHBondContact N-O 2.77Å; L162-S170 PolarHBondContact O-N 3.41Å; S170-V217 CarbonylContact C-O 3.59Å; S170-V217 WeakPolarHBondContact CA-O 3.4Å; S170-V217 WeakPolarHBondContact CB-O 3.28Å; S170-D218 WeakPolarHBondContact CB-OD1 3.48Å; S170-D218 PolarHBondContact OG-OD1 2.81Å
171	F	97.9	Very high	92.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.1	168.5	-56.6	-18.4	0	0	0	109.1	I119 A120 T160 Y161 I169 Y173 I189 V206 L216 V217 F219	I119-F171 HydrophobicContact CG2-CE1 3.44Å; I119-F171 VanDerWaalsContact CG2-CE1 3.44Å; I119-F171 HydrophobicContact CG2-CZ 3.6Å; A120-F171 WeakPolarHBondContact O-CE2 3.15Å; T160-F171 WeakPolarHBondContact O-CA 3.47Å; Y161-F171 AromaticContact CD1-CD1 3.53Å; Y161-F171 HydrophobicContact CD1-CD1 3.53Å; Y161-F171 AromaticContact CD1-CE1 3.45Å; Y161-F171 HydrophobicContact CD1-CE1 3.45Å; Y161-F171 VanDerWaalsContact CD1-CE1 3.45Å; Y161-F171 HydrophobicContact CD1-CZ 4.38Å; Y161-F171 HydrophobicContact CE1-CD1 4.01Å; Y161-F171 AromaticContact CE1-CE1 3.71Å; Y161-F171 HydrophobicContact CE1-CE1 3.71Å; Y161-F171 HydrophobicContact CE1-CZ 4.21Å; I169-F171 HydrophobicContact CG2-CD1 4.3Å; I169-F171 HydrophobicContact CG2-CE1 3.73Å; F171-Y173 HydrophobicContact CB-CE2 4.02Å; F171-I189 HydrophobicContact CZ-CG2 3.84Å; F171-V206 HydrophobicContact CD2-CG2 3.97Å; F171-V206 HydrophobicContact CE2-CG2 4.24Å; F171-L216 WeakPolarHBondContact O-CA 3.4Å; F171-V217 HydrophobicContact CB-CB 4.27Å; F171-V217 PolarHBondContact N-O 3.01Å; F171-V217 PolarHBondContact O-N 2.95Å; F171-F219 AromaticContact CD2-CE2 3.78Å; F171-F219 HydrophobicContact CD2-CE2 3.78Å; F171-F219 HydrophobicContact CD2-CZ 4.4Å; F171-F219 HydrophobicContact CE1-CE2 4.39Å; F171-F219 AromaticContact CE2-CE2 3.56Å; F171-F219 HydrophobicContact CE2-CE2 3.56Å; F171-F219 HydrophobicContact CE2-CZ 4.02Å; F171-F219 HydrophobicContact CG-CE2 4.29Å; F171-F219 AromaticContact CZ-CE2 3.9Å; F171-F219 HydrophobicContact CZ-CE2 3.9Å
172	Y	97.7	Very high	92.2	Very high	17 Å²	17	38.2 Å²	38.2	7%	0.067	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	142.3	170.5	-176.4	-100.3	0	0	0	110.5	Q64 P65 H66 P67 T159 T160 E174 T215 L216	Q64-Y172 WeakPolarHBondContact O-CE2 3.39Å; Q64-Y172 PolarHBondContact O-OH 3.41Å; P65-Y172 WeakPolarHBondContact O-CE2 3.37Å; H66-Y172 HydrophobicContact CB-CD1 4.31Å; H66-Y172 HydrophobicContact CB-CE1 3.75Å; H66-Y172 AromaticContact CD2-CD1 3.29Å; H66-Y172 WeakPolarHBondContact CD2-CD1 3.29Å; H66-Y172 AromaticContact CD2-CE1 3.41Å; H66-Y172 VanDerWaalsContact CD2-CE1 3.41Å; H66-Y172 WeakPolarHBondContact CD2-CE1 3.46Å; H66-Y172 AromaticContact CG-CD1 3.98Å; H66-Y172 AromaticContact CG-CE1 3.88Å; H66-Y172 PolarHBondContact N-OH 3.48Å; P67-Y172 HydrophobicContact CG-CG 4.39Å; T159-Y172 CarbonylContact C-O 3.55Å; T159-Y172 VanDerWaalsContact CA-O 3.25Å; T159-Y172 WeakPolarHBondContact CA-O 3.44Å; T160-Y172 PolarHBondContact N-O 2.92Å; T160-Y172 PolarHBondContact O-N 3.16Å; Y172-E174 HydrophobicContact CD1-CB 4.4Å; Y172-E174 HydrophobicContact CE1-CB 3.9Å; Y172-E174 HydrophobicContact CE1-CG 4.34Å; Y172-T215 WeakPolarHBondContact CA-O 3.18Å; Y172-T215 WeakPolarHBondContact CD2-O 3.23Å; Y172-L216 HydrophobicContact CD2-CB 4.29Å; Y172-L216 HydrophobicContact CD2-CD1 4.35Å
173	Y	97	Very high	91.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.3	-177.5	-58.7	-89	0	0	0	110.4	N121 T159 F171 I176 W185 S187 I211 K212 G214 T215 V217	N121-Y173 WeakPolarHBondContact ND2-CE1 3.46Å; T159-Y173 HydrophobicContact CG2-CD1 3.56Å; T159-Y173 HydrophobicContact CG2-CE1 4.08Å; T159-Y173 HydrophobicContact CG2-CG 4.44Å; F171-Y173 HydrophobicContact CB-CE2 4.02Å; Y173-I176 HydrophobicContact CD1-CD1 4.42Å; Y173-I176 HydrophobicContact CD1-CG1 4.46Å; Y173-W185 AromaticContact CE1-NE1 3.82Å; Y173-S187 WeakPolarHBondContact OH-CB 3.21Å; Y173-S187 PolarHBondContact OH-OG 3.21Å; Y173-I211 HydrophobicContact CD1-CG2 3.71Å; Y173-I211 HydrophobicContact CE1-CG1 4.37Å; Y173-I211 HydrophobicContact CE1-CG2 3.6Å; Y173-I211 HydrophobicContact CG-CG2 4.36Å; Y173-K212 WeakPolarHBondContact CB-O 3.42Å; Y173-G214 PolarHBondContact O-N 3.38Å; Y173-T215 HydrophobicContact CD2-CG2 4.05Å; Y173-T215 WeakPolarHBondContact CD2-O 3.36Å; Y173-T215 HydrophobicContact CE2-CG2 4.31Å; Y173-T215 PolarHBondContact N-O 2.01Å; Y173-T215 VanDerWaalsContact N-O 3.07Å; Y173-V217 HydrophobicContact CE2-CG2 3.93Å
174	E	95.7	Very high	91.2	Very high	45 Å²	45	47.4 Å²	47.4	21%	0.21	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.7	-176.1	-165.5	-171.4	138.4	0	0	110.4	H66 K158 Y172 I176	H66-E174 IonicContact CD2-OE2 3.45Å; K158-E174 HydrophobicContact CB-CB 4.14Å; K158-E174 PolarHBondContact N-O 2.93Å; K158-E174 PolarHBondContact O-N 3.35Å; Y172-E174 HydrophobicContact CD1-CB 4.4Å; Y172-E174 HydrophobicContact CE1-CB 3.9Å; Y172-E174 HydrophobicContact CE1-CG 4.34Å; E174-I176 VanDerWaalsContact C-N 3.27Å; E174-I176 PolarHBondContact O-N 3.4Å
175	N	95.3	Very high	91.1	Very high	86 Å²	86	45.8 Å²	45.8	46%	0.46	24%	0.244	S	C	.	.	S	Bend	trans	54.9	39.8	176.9	-59.1	-34.8	0	0	0	113.4	S157 P177 S213	S157-N175 WeakPolarHBondContact CB-O 3.42Å; S157-N175 PolarHBondContact OG-O 3.39Å; N175-P177 WeakPolarHBondContact O-CD 3.43Å; N175-S213 PolarHBondContact N-OG 3.03Å
176	I	94	Very high	91.2	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.051	25%	0.251	C	S	.	.			trans	-74.1	122.9	172.1	-49.3	-48.3	0	0	0	109	T159 Y173 E174 I180 W185	T159-I176 HydrophobicContact CG2-CD1 4.48Å; Y173-I176 HydrophobicContact CD1-CD1 4.42Å; Y173-I176 HydrophobicContact CD1-CG1 4.46Å; E174-I176 VanDerWaalsContact C-N 3.27Å; E174-I176 PolarHBondContact O-N 3.4Å; I176-I180 HydrophobicContact CG2-CG2 4.19Å; I176-W185 HydrophobicContact CD1-CH2 3.57Å; I176-W185 HydrophobicContact CD1-CZ2 4.24Å; I176-W185 HydrophobicContact CD1-CZ3 3.7Å; I176-W185 HydrophobicContact CG2-CE3 4.36Å; I176-W185 HydrophobicContact CG2-CZ3 4.26Å
177	P	92.7	Very high	91.6	Very high	11 Å²	11	45 Å²	45	7%	0.071	23%	0.232	C	C	.	.			trans	-62.2	142.6	176	-19.8	32.4	0	0	0	111.1	I148 V150 F155 S157 N175 D179 I180	I148-P177 HydrophobicContact CG2-CG 4.47Å; V150-P177 HydrophobicContact CG2-CB 4.06Å; V150-P177 HydrophobicContact CG2-CG 4.2Å; F155-P177 HydrophobicContact CB-CG 3.94Å; F155-P177 HydrophobicContact CD1-CG 4.15Å; F155-P177 HydrophobicContact CD2-CB 4.3Å; F155-P177 HydrophobicContact CD2-CG 3.78Å; F155-P177 HydrophobicContact CE2-CB 4.3Å; F155-P177 HydrophobicContact CE2-CG 4.27Å; F155-P177 HydrophobicContact CG-CB 4.45Å; F155-P177 HydrophobicContact CG-CG 3.7Å; F155-P177 HydrophobicContact CZ-CB 4.43Å; S157-P177 WeakPolarHBondContact OG-CD 3.22Å; N175-P177 WeakPolarHBondContact O-CD 3.43Å; P177-D179 VanDerWaalsContact C-N 3.33Å; P177-D179 PolarHBondContact O-N 2.71Å; P177-I180 VanDerWaalsContact O-CG2 3.3Å; P177-I180 WeakPolarHBondContact O-CG2 3.39Å
178	T	88.9	Confident	92	Very high	132 Å²	132	46.8 Å²	46.8	81%	0.81	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-33.8	-179.6	51.6	0	0	0	0	113.2	I180	T178-I180 VanDerWaalsContact C-N 3.3Å; T178-I180 PolarHBondContact O-N 3.04Å
179	D	86.8	Confident	92.2	Very high	102 Å²	102	45.7 Å²	45.7	55%	0.545	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	22.5	-173.5	-49.5	-20.9	0	0	0	111.9	V150 N151 P177	V150-D179 HydrophobicContact CG1-CB 3.8Å; V150-D179 WeakPolarHBondContact CG1-O 3.3Å; N151-D179 PolarHBondContact ND2-OD2 2.85Å; P177-D179 VanDerWaalsContact C-N 3.33Å; P177-D179 PolarHBondContact O-N 2.71Å
180	I	86.8	Confident	92.2	Very high	23 Å²	23	45.7 Å²	45.7	12%	0.118	24%	0.236	C	C	.	.			trans	-65.8	140	176.5	-171.8	154.5	0	0	0	110.2	L123 I148 I176 P177 T178 E182 W185	L123-I180 HydrophobicContact CD1-CD1 4.09Å; I148-I180 HydrophobicContact CD1-CD1 3.85Å; I148-I180 HydrophobicContact CG2-CD1 4.04Å; I176-I180 HydrophobicContact CG2-CG2 4.19Å; P177-I180 VanDerWaalsContact O-CG2 3.3Å; P177-I180 WeakPolarHBondContact O-CG2 3.39Å; T178-I180 VanDerWaalsContact C-N 3.3Å; T178-I180 PolarHBondContact O-N 3.04Å; I180-E182 PolarHBondContact O-N 3.04Å; I180-W185 HydrophobicContact CD1-CE3 3.53Å; I180-W185 HydrophobicContact CD1-CZ3 3.85Å
181	D	86.3	Confident	92.1	Very high	77 Å²	77	45.7 Å²	45.7	41%	0.412	24%	0.236	S	C	.	.			trans	-62.8	106.1	170.6	178.2	-2.2	0	0	0	109.5	T183 K184	D181-T183 PolarHBondContact O-N 3.45Å; D181-T183 VanDerWaalsContact O-N 3.09Å; D181-T183 WeakPolarHBondContact OD1-CB 3.42Å; D181-T183 PolarHBondContact OD1-N 3.21Å; D181-T183 PolarHBondContact OD1-OG1 3.15Å; D181-T183 PolarHBondContact OD2-OG1 3.23Å; D181-K184 HydrophobicContact CB-CD 3.99Å; D181-K184 HydrophobicContact CB-CG 3.96Å; D181-K184 WeakPolarHBondContact O-CB 3.44Å; D181-K184 PolarHBondContact O-N 3.37Å; D181-K184 VanDerWaalsContact OD2-CE 3.32Å; D181-K184 WeakPolarHBondContact OD2-CE 3.5Å
182	E	81.9	Confident	91.8	Very high	113 Å²	113	47.9 Å²	47.9	53%	0.528	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-32.1	-179.9	-71.2	-174.2	177.8	0	0	111.9	I180 K184 W185 V208	I180-E182 PolarHBondContact O-N 3.04Å; E182-K184 PolarHBondContact O-N 3.07Å; E182-K184 VanDerWaalsContact O-N 3.15Å; E182-W185 PolarHBondContact O-N 2.81Å; E182-V208 HydrophobicContact CB-CB 4.43Å; E182-V208 HydrophobicContact CB-CG1 4.06Å; E182-V208 HydrophobicContact CB-CG2 3.53Å; E182-V208 HydrophobicContact CG-CG1 4.38Å; E182-V208 HydrophobicContact CG-CG2 3.92Å; E182-V208 VanDerWaalsContact O-CG2 3.26Å; E182-V208 WeakPolarHBondContact O-CG2 3.44Å
183	T	82	Confident	91.4	Very high	99 Å²	99	47.1 Å²	47.1	61%	0.607	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-19	-179.1	69.8	0	0	0	0	113.6	D181 K186	D181-T183 PolarHBondContact O-N 3.45Å; D181-T183 VanDerWaalsContact O-N 3.09Å; D181-T183 WeakPolarHBondContact OD1-CB 3.42Å; D181-T183 PolarHBondContact OD1-N 3.21Å; D181-T183 PolarHBondContact OD1-OG1 3.15Å; D181-T183 PolarHBondContact OD2-OG1 3.23Å; T183-K186 WeakPolarHBondContact O-CE 3.46Å
184	K	87.5	Confident	90.9	Very high	93 Å²	93	50.5 Å²	50.5	40%	0.404	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-36.1	-176.6	-62.4	-172	179.4	-175.5	0	112.7	L123 S124 D181 E182	L123-K184 HydrophobicContact CD1-CB 3.65Å; S124-K184 WeakPolarHBondContact CB-O 3.3Å; S124-K184 PolarHBondContact N-O 2.85Å; S124-K184 PolarHBondContact OG-O 3.02Å; D181-K184 HydrophobicContact CB-CD 3.99Å; D181-K184 HydrophobicContact CB-CG 3.96Å; D181-K184 WeakPolarHBondContact O-CB 3.44Å; D181-K184 PolarHBondContact O-N 3.37Å; D181-K184 VanDerWaalsContact OD2-CE 3.32Å; D181-K184 WeakPolarHBondContact OD2-CE 3.5Å; E182-K184 PolarHBondContact O-N 3.07Å; E182-K184 VanDerWaalsContact O-N 3.15Å
185	W	90.2	Very high	90.3	Very high	6 Å²	6	49 Å²	49	2%	0.023	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	122.1	-176.5	-149	-56.4	0	0	0	110.8	N121 L123 F146 I148 T159 Y173 I176 I180 E182 I211	N121-W185 PolarHBondContact OD1-NE1 2.83Å; L123-W185 HydrophobicContact CD1-CB 4.27Å; L123-W185 HydrophobicContact CD1-CD2 4.15Å; L123-W185 HydrophobicContact CD1-CE3 3.82Å; L123-W185 HydrophobicContact CD1-CG 4.43Å; L123-W185 HydrophobicContact CD1-CZ3 4.36Å; L123-W185 HydrophobicContact CD2-CZ3 4.43Å; F146-W185 HydrophobicContact CD2-CH2 4.32Å; F146-W185 HydrophobicContact CD2-CZ2 4.45Å; F146-W185 HydrophobicContact CE2-CZ2 4.44Å; I148-W185 HydrophobicContact CD1-CE3 4.36Å; I148-W185 HydrophobicContact CD1-CH2 3.99Å; I148-W185 HydrophobicContact CD1-CZ3 3.4Å; T159-W185 HydrophobicContact CG2-CH2 3.97Å; T159-W185 HydrophobicContact CG2-CZ2 3.29Å; Y173-W185 AromaticContact CE1-NE1 3.82Å; I176-W185 HydrophobicContact CD1-CH2 3.57Å; I176-W185 HydrophobicContact CD1-CZ2 4.24Å; I176-W185 HydrophobicContact CD1-CZ3 3.7Å; I176-W185 HydrophobicContact CG2-CE3 4.36Å; I176-W185 HydrophobicContact CG2-CZ3 4.26Å; I180-W185 HydrophobicContact CD1-CE3 3.53Å; I180-W185 HydrophobicContact CD1-CZ3 3.85Å; E182-W185 PolarHBondContact O-N 2.81Å; W185-I211 HydrophobicContact CB-CD1 4.44Å; W185-I211 HydrophobicContact CB-CG2 4.39Å; W185-I211 HydrophobicContact CD2-CG2 4.04Å; W185-I211 HydrophobicContact CG-CD1 4.33Å; W185-I211 HydrophobicContact CG-CG2 3.84Å
186	K	92.4	Very high	89.6	Confident	106 Å²	106	53 Å²	53	46%	0.461	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	123.8	177	-65.2	-176.5	-174.9	176.1	0	110.3	Y122 T183	Y122-K186 HydrophobicContact CD1-CB 4.21Å; Y122-K186 WeakPolarHBondContact CD1-O 3.1Å; Y122-K186 HydrophobicContact CE1-CB 3.61Å; Y122-K186 PolarHBondContact N-O 2.8Å; Y122-K186 PolarHBondContact O-N 3.08Å; Y122-K186 WeakPolarHBondContact OH-CD 3.29Å; T183-K186 WeakPolarHBondContact O-CE 3.46Å
187	S	95.7	Very high	89	Confident	3 Å²	3	62.1 Å²	62.1	2%	0.021	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	130	175	-59.7	0	0	0	0	110.1	A120 N121 Y173 V206	A120-S187 CarbonylContact O-C 3.5Å; A120-S187 WeakPolarHBondContact O-CA 3.25Å; N121-S187 VanDerWaalsContact CG-OG 3.25Å; N121-S187 PolarHBondContact OD1-OG 3.11Å; Y173-S187 WeakPolarHBondContact OH-CB 3.21Å; Y173-S187 PolarHBondContact OH-OG 3.21Å; S187-V206 PolarHBondContact O-N 2.93Å
188	K	96.3	Very high	88.6	Confident	37 Å²	37	66.6 Å²	66.6	16%	0.161	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	158	-178.6	65.9	176.2	176.5	172.2	0	112.8	L118 A120 E203 I204 L205	L118-K188 HydrophobicContact CD1-CD 4.31Å; L118-K188 HydrophobicContact CD1-CG 3.94Å; A120-K188 HydrophobicContact CB-CG 4.1Å; A120-K188 PolarHBondContact N-O 3.41Å; A120-K188 PolarHBondContact O-N 2.81Å; A120-K188 VanDerWaalsContact O-O 3.1Å; K188-E203 IonicContact NZ-OE1 2.68Å; K188-E203 PolarHBondContact NZ-OE1 3.33Å; K188-E203 IonicContact NZ-OE2 3.9Å; K188-E203 PolarHBondContact NZ-OE2 3.25Å; K188-I204 WeakPolarHBondContact CA-O 3.25Å; K188-I204 WeakPolarHBondContact CB-O 3.36Å; K188-L205 HydrophobicContact CB-CD2 3.61Å; K188-L205 HydrophobicContact CD-CD2 3.71Å; K188-L205 HydrophobicContact CG-CD2 4.26Å
189	I	97.5	Very high	88.5	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	140.8	156.6	62.7	170.2	0	0	0	108.2	Y56 Y92 I119 I169 F171 I204 F219	Y56-I189 HydrophobicContact CD1-CD1 4.11Å; Y56-I189 HydrophobicContact CD2-CD1 3.9Å; Y56-I189 HydrophobicContact CE1-CD1 4.14Å; Y56-I189 HydrophobicContact CE2-CD1 3.91Å; Y56-I189 HydrophobicContact CG-CD1 3.98Å; Y92-I189 HydrophobicContact CE2-CB 4.31Å; Y92-I189 WeakPolarHBondContact OH-CB 3.33Å; I119-I189 HydrophobicContact CB-CG2 4.48Å; I119-I189 HydrophobicContact CG1-CG2 4.22Å; I119-I189 HydrophobicContact CG2-CG2 4.16Å; I169-I189 HydrophobicContact CD1-CG2 4.26Å; F171-I189 HydrophobicContact CZ-CG2 3.84Å; I189-I204 HydrophobicContact CD1-CD1 3.92Å; I189-I204 HydrophobicContact CG1-CB 3.82Å; I189-I204 HydrophobicContact CG1-CD1 4.04Å; I189-I204 HydrophobicContact CG1-CG1 4.26Å; I189-I204 PolarHBondContact N-O 3Å; I189-I204 PolarHBondContact O-N 2.95Å; I189-F219 HydrophobicContact CD1-CB 3.83Å; I189-F219 HydrophobicContact CD1-CD1 3.47Å; I189-F219 VanDerWaalsContact CD1-CD1 3.47Å; I189-F219 HydrophobicContact CD1-CD2 4.45Å; I189-F219 HydrophobicContact CD1-CE1 4.07Å; I189-F219 HydrophobicContact CD1-CG 3.68Å; I189-F219 HydrophobicContact CG1-CD1 3.8Å; I189-F219 HydrophobicContact CG1-CE1 3.85Å; I189-F219 HydrophobicContact CG1-CG 4.26Å; I189-F219 HydrophobicContact CG1-CZ 4.38Å; I189-F219 HydrophobicContact CG2-CD2 4.23Å; I189-F219 HydrophobicContact CG2-CE2 4.2Å; I189-F219 HydrophobicContact CG2-CG 4.48Å; I189-F219 HydrophobicContact CG2-CZ 4.39Å
190	A	96.5	Very high	88.6	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	149.3	177.1	0	0	0	0	0	111.9	Y92 G117 L118 H202 E203	Y92-A190 WeakPolarHBondContact CE1-O 3.21Å; Y92-A190 VanDerWaalsContact OH-C 3.32Å; Y92-A190 PolarHBondContact OH-N 3.48Å; Y92-A190 PolarHBondContact OH-O 3.17Å; G117-A190 CarbonylContact C-O 3.55Å; G117-A190 WeakPolarHBondContact CA-O 3.4Å; L118-A190 HydrophobicContact CD1-CB 4.06Å; L118-A190 HydrophobicContact CG-CB 4.07Å; L118-A190 PolarHBondContact N-O 3.2Å; L118-A190 PolarHBondContact O-N 3.09Å; A190-H202 VanDerWaalsContact CA-O 3.23Å; A190-H202 WeakPolarHBondContact CA-O 3.15Å; A190-E203 HydrophobicContact CB-CB 4.2Å; A190-E203 HydrophobicContact CB-CG 3.8Å
191	A	95.3	Very high	88.8	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	147.1	173.9	0	0	0	0	0	111.7	Y92 Y93 F116 F193 E201 H202	Y92-A191 HydrophobicContact CE1-CB 4.13Å; Y93-A191 HydrophobicContact CD1-CB 4.37Å; Y93-A191 HydrophobicContact CD2-CB 3.44Å; Y93-A191 VanDerWaalsContact CD2-CB 3.44Å; Y93-A191 HydrophobicContact CE1-CB 4.31Å; Y93-A191 HydrophobicContact CE2-CB 3.32Å; Y93-A191 HydrophobicContact CG-CB 4.01Å; F116-A191 HydrophobicContact CE1-CB 4.44Å; F116-A191 HydrophobicContact CE2-CB 4.41Å; F116-A191 HydrophobicContact CZ-CB 4.18Å; F116-A191 CarbonylContact O-C 3.51Å; F116-A191 WeakPolarHBondContact O-CA 3.44Å; A191-F193 HydrophobicContact CB-CE2 3.68Å; A191-F193 HydrophobicContact CB-CZ 3.76Å; A191-E201 WeakPolarHBondContact O-CA 3.48Å; A191-H202 PolarHBondContact N-O 3.1Å; A191-H202 PolarHBondContact O-N 2.88Å
192	I	92.2	Very high	89.1	Confident	46 Å²	46	60.1 Å²	60.1	24%	0.236	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	123.2	176.7	-56.9	-172.7	0	0	0	109.4	Y115 F116 H199 I200 E201	Y115-I192 HydrophobicContact CD1-CD1 4.11Å; Y115-I192 HydrophobicContact CE1-CD1 3.61Å; Y115-I192 HydrophobicContact CE1-CG1 4.26Å; F116-I192 WeakPolarHBondContact CD2-O 3.19Å; F116-I192 WeakPolarHBondContact CE2-O 3.46Å; F116-I192 PolarHBondContact O-N 3.15Å; I192-H199 HydrophobicContact CG2-CB 4Å; I192-I200 CarbonylContact C-O 3.56Å; I192-I200 WeakPolarHBondContact CA-O 3.31Å; I192-E201 HydrophobicContact CG1-CB 4.49Å; I192-E201 HydrophobicContact CG1-CG 4.34Å
193	F	89.2	Confident	89.7	Confident	0 Å²	0	58 Å²	58	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.2	179.2	-59.7	-87.8	0	0	0	108.9	Q27 I29 Y54 Y93 F116 A191 C195 H199 I200 H202	Q27-F193 HydrophobicContact CB-CD1 4.36Å; Q27-F193 HydrophobicContact CG-CD1 4.49Å; I29-F193 HydrophobicContact CD1-CD2 4Å; I29-F193 HydrophobicContact CD1-CE2 4.17Å; I29-F193 HydrophobicContact CG2-CB 3.68Å; I29-F193 HydrophobicContact CG2-CD1 3.7Å; I29-F193 HydrophobicContact CG2-CD2 4.01Å; I29-F193 HydrophobicContact CG2-CE1 4.39Å; I29-F193 HydrophobicContact CG2-CG 3.51Å; Y54-F193 HydrophobicContact CD1-CE2 4.43Å; Y54-F193 HydrophobicContact CD1-CZ 4.17Å; Y54-F193 AromaticContact CE1-CE1 3.97Å; Y54-F193 HydrophobicContact CE1-CE1 3.97Å; Y54-F193 HydrophobicContact CE1-CE2 4.23Å; Y54-F193 AromaticContact CE1-CZ 3.7Å; Y54-F193 HydrophobicContact CE1-CZ 3.7Å; Y93-F193 AromaticContact CD1-CZ 3.72Å; Y93-F193 HydrophobicContact CD1-CZ 3.72Å; Y93-F193 HydrophobicContact CE1-CZ 4.23Å; Y93-F193 HydrophobicContact CG-CZ 4.08Å; F116-F193 HydrophobicContact CE2-CE1 4.4Å; F116-F193 HydrophobicContact CZ-CE1 4.29Å; A191-F193 HydrophobicContact CB-CE2 3.68Å; A191-F193 HydrophobicContact CB-CZ 3.76Å; F193-C195 PolarHBondContact O-N 3.13Å; F193-H199 WeakPolarHBondContact O-CA 3.43Å; F193-I200 HydrophobicContact CB-CB 4.32Å; F193-I200 PolarHBondContact N-O 2.92Å; F193-I200 PolarHBondContact O-N 3.23Å; F193-H202 HydrophobicContact CE2-CB 3.97Å
194	Q	85.7	Confident	90.4	Very high	72 Å²	72	53.2 Å²	53.2	34%	0.336	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	109.8	177.6	178.1	79.3	60	0	0	108.6	Q27 H199	Q27-Q194 VanDerWaalsContact OE1-N 3.15Å; Q194-H199 PolarHBondContact NE2-CD2 2.83Å; Q194-H199 PolarHBondContact NE2-NE2 2.73Å; Q194-H199 PolarHBondContact OE1-NE2 3.36Å
195	C	83.6	Confident	90.8	Very high	14 Å²	14	53.6 Å²	53.6	10%	0.095	25%	0.246	C	C	.	.			trans	-102.5	165.3	169.6	-48.3	0	0	0	0	110	C30 F193 K197 R198 I200	C30-C195 WeakPolarHBondContact CA-SG 2.94Å; C30-C195 HydrophobicContact CB-CB 3.71Å; C30-C195 WeakPolarHBondContact CB-SG 3.41Å; C30-C195 WeakPolarHBondContact SG-CA 3.25Å; C30-C195 WeakPolarHBondContact SG-CB 3.36Å; C30-C195 CovalentContact SG-SG 2.04Å; C30-C195 PolarHBondContact SG-SG 3.29Å; F193-C195 PolarHBondContact O-N 3.13Å; C195-K197 VanDerWaalsContact C-N 3.26Å; C195-K197 PolarHBondContact O-N 3.03Å; C195-R198 CarbonylContact C-O 3.56Å; C195-R198 WeakPolarHBondContact CA-O 3.36Å; C195-R198 VanDerWaalsContact CB-O 3.26Å; C195-R198 WeakPolarHBondContact CB-O 3.46Å; C195-R198 PolarHBondContact N-O 2.65Å; C195-R198 VanDerWaalsContact O-O 3.13Å; C195-I200 WeakPolarHBondContact SG-CD1 3Å
196	E	80.7	Confident	91.1	Very high	168 Å²	168	53.7 Å²	53.7	79%	0.785	25%	0.247	S	C	*	.	S	Bend	trans	-56.3	-38.4	-175.7	-65.7	-177.4	165.3	0	0	113.4
197	K	80.5	Confident	91.2	Very high	203 Å²	203	49.9 Å²	49.9	88%	0.883	23%	0.233	S	C	*	.	S	Bend	trans	-107.8	-17.2	-171.8	-63	-177.3	-178.1	177.1	0	114.6	C195	C195-K197 VanDerWaalsContact C-N 3.26Å; C195-K197 PolarHBondContact O-N 3.03Å
198	R	84.9	Confident	91.1	Very high	104 Å²	104	51.9 Å²	51.9	39%	0.392	25%	0.245	S	C	.	.			trans	-161.4	164.5	-175.9	68	-179	-171.4	144.4	9.6	111.2	L33 E36 C195 I200	L33-R198 VanDerWaalsContact CD2-NH2 3.26Å; E36-R198 IonicContact OE2-CZ 2.67Å; E36-R198 IonicContact OE2-NH1 3.33Å; E36-R198 IonicContact OE2-NH2 2.94Å; E36-R198 PolarHBondContact OE2-NH2 3.38Å; C195-R198 CarbonylContact C-O 3.56Å; C195-R198 WeakPolarHBondContact CA-O 3.36Å; C195-R198 VanDerWaalsContact CB-O 3.26Å; C195-R198 WeakPolarHBondContact CB-O 3.46Å; C195-R198 PolarHBondContact N-O 2.65Å; C195-R198 VanDerWaalsContact O-O 3.13Å; R198-I200 HydrophobicContact CG-CG1 4.41Å
199	H	86.6	Confident	90.9	Very high	115 Å²	115	54.3 Å²	54.3	53%	0.532	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	140.1	165.4	-57.6	176.7	0	0	0	107.9	I192 F193 Q194	I192-H199 HydrophobicContact CG2-CB 4Å; F193-H199 WeakPolarHBondContact O-CA 3.43Å; Q194-H199 PolarHBondContact NE2-CD2 2.83Å; Q194-H199 PolarHBondContact NE2-NE2 2.73Å; Q194-H199 PolarHBondContact OE1-NE2 3.36Å
200	I	88.3	Confident	90.8	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124.4	171.1	-61.2	176.9	0	0	0	106.7	I29 L33 E36 I192 F193 C195 R198	I29-I200 HydrophobicContact CD1-CG2 3.81Å; I29-I200 HydrophobicContact CG1-CD1 4.36Å; I29-I200 HydrophobicContact CG1-CG2 4.08Å; L33-I200 HydrophobicContact CD2-CD1 3.38Å; L33-I200 HydrophobicContact CD2-CG1 4.45Å; E36-I200 HydrophobicContact CB-CG2 3.93Å; E36-I200 HydrophobicContact CG-CG2 3.69Å; I192-I200 CarbonylContact C-O 3.56Å; I192-I200 WeakPolarHBondContact CA-O 3.31Å; F193-I200 HydrophobicContact CB-CB 4.32Å; F193-I200 PolarHBondContact N-O 2.92Å; F193-I200 PolarHBondContact O-N 3.23Å; C195-I200 WeakPolarHBondContact SG-CD1 3Å; R198-I200 HydrophobicContact CG-CG1 4.41Å
201	E	90.9	Very high	90.7	Very high	81 Å²	81	55.4 Å²	55.4	38%	0.379	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.7	170.4	-176.3	164.6	-153.2	0	0	108	A191 I192 E203	A191-E201 WeakPolarHBondContact O-CA 3.48Å; I192-E201 HydrophobicContact CG1-CB 4.49Å; I192-E201 HydrophobicContact CG1-CG 4.34Å; E201-E203 HydrophobicContact CG-CG 3.98Å
202	H	93.1	Very high	90.7	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.009	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.9	172.3	179	67.6	0	0	0	108.4	I29 L35 E36 Y54 Y93 A190 A191 F193 I204	I29-H202 HydrophobicContact CD1-CB 4.05Å; L35-H202 PolarHBondContact O-ND1 3.27Å; E36-H202 PolarHBondContact O-ND1 3.09Å; Y54-H202 PolarHBondContact N-NE2 3.07Å; Y93-H202 AromaticContact CE1-CD2 3.77Å; A190-H202 VanDerWaalsContact CA-O 3.23Å; A190-H202 WeakPolarHBondContact CA-O 3.15Å; A191-H202 PolarHBondContact N-O 3.1Å; A191-H202 PolarHBondContact O-N 2.88Å; F193-H202 HydrophobicContact CE2-CB 3.97Å; H202-I204 WeakPolarHBondContact NE2-CG1 3.43Å
203	E	95	Very high	90.8	Very high	68 Å²	68	61 Å²	61	32%	0.318	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	138.1	-179.3	-49.7	-160.3	148.4	0	0	110.9	K188 A190 E201	K188-E203 IonicContact NZ-OE1 2.68Å; K188-E203 PolarHBondContact NZ-OE1 3.33Å; K188-E203 IonicContact NZ-OE2 3.9Å; K188-E203 PolarHBondContact NZ-OE2 3.25Å; A190-E203 HydrophobicContact CB-CB 4.2Å; A190-E203 HydrophobicContact CB-CG 3.8Å; E201-E203 HydrophobicContact CG-CG 3.98Å
204	I	96.6	Very high	91.2	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	102	172.3	-51.8	172	0	0	0	107.3	H53 Y56 Q58 K188 I189 H202 F219	H53-I204 HydrophobicContact CB-CD1 3.48Å; H53-I204 VanDerWaalsContact CB-CD1 3.48Å; H53-I204 HydrophobicContact CB-CG1 3.75Å; H53-I204 HydrophobicContact CB-CG2 4.32Å; Y56-I204 HydrophobicContact CD2-CD1 3.92Å; Y56-I204 HydrophobicContact CG-CD1 4.09Å; Q58-I204 HydrophobicContact CB-CG2 4.45Å; K188-I204 WeakPolarHBondContact CA-O 3.25Å; K188-I204 WeakPolarHBondContact CB-O 3.36Å; I189-I204 HydrophobicContact CD1-CD1 3.92Å; I189-I204 HydrophobicContact CG1-CB 3.82Å; I189-I204 HydrophobicContact CG1-CD1 4.04Å; I189-I204 HydrophobicContact CG1-CG1 4.26Å; I189-I204 PolarHBondContact N-O 3Å; I189-I204 PolarHBondContact O-N 2.95Å; H202-I204 WeakPolarHBondContact NE2-CG1 3.43Å; I204-F219 HydrophobicContact CB-CE1 4.11Å; I204-F219 HydrophobicContact CG2-CD1 4.09Å; I204-F219 HydrophobicContact CG2-CE1 3.6Å
205	L	95.8	Very high	91.8	Very high	101 Å²	101	58 Å²	58	53%	0.529	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	143.1	178	-57.7	179.3	0	0	0	110.6	Q58 K188	Q58-L205 PolarHBondContact NE2-O 3.44Å; K188-L205 HydrophobicContact CB-CD2 3.61Å; K188-L205 HydrophobicContact CD-CD2 3.71Å; K188-L205 HydrophobicContact CG-CD2 4.26Å
206	V	96.6	Very high	92.5	Very high	8 Å²	8	57.8 Å²	57.8	5%	0.048	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-80.2	119.6	158.3	-176.1	0	0	0	0	106.7	I60 F171 S187 V208 I211 V217 F219	I60-V206 HydrophobicContact CD1-CG1 4.27Å; F171-V206 HydrophobicContact CD2-CG2 3.97Å; F171-V206 HydrophobicContact CE2-CG2 4.24Å; S187-V206 PolarHBondContact O-N 2.93Å; V206-V208 PolarHBondContact O-N 3.1Å; V206-I211 HydrophobicContact CB-CD1 4.47Å; V206-I211 HydrophobicContact CB-CG1 4.5Å; V206-I211 HydrophobicContact CG1-CD1 4.36Å; V206-I211 HydrophobicContact CG1-CG1 3.87Å; V206-V217 HydrophobicContact CG1-CG2 3.77Å; V206-V217 HydrophobicContact CG2-CB 4.49Å; V206-V217 HydrophobicContact CG2-CG1 4Å; V206-V217 HydrophobicContact CG2-CG2 4.18Å; V206-F219 HydrophobicContact CG2-CE2 4.39Å; V206-F219 HydrophobicContact CG2-CZ 3.79Å
207	P	94.7	Very high	93.3	Very high	25 Å²	25	49.8 Å²	49.8	16%	0.162	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-63.4	135.7	177.9	-11.2	24.1	0	0	0	109.8	I60 E209 W210	I60-P207 HydrophobicContact CD1-CG 4.5Å; P207-E209 VanDerWaalsContact C-N 3.27Å; P207-E209 VanDerWaalsContact CB-CD 3.49Å; P207-E209 VanDerWaalsContact CB-OE1 3.26Å; P207-E209 WeakPolarHBondContact CB-OE1 3.37Å; P207-E209 VanDerWaalsContact CB-OE2 3.3Å; P207-E209 WeakPolarHBondContact CB-OE2 3.36Å; P207-E209 PolarHBondContact O-N 3Å; P207-W210 WeakPolarHBondContact O-CB 3.46Å; P207-W210 PolarHBondContact O-N 2.7Å
208	V	92.7	Very high	94.1	Very high	45 Å²	45	40.7 Å²	40.7	27%	0.273	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-65.2	-31.9	-164.7	66.8	0	0	0	0	113	E182 V206 W210 I211	E182-V208 HydrophobicContact CB-CB 4.43Å; E182-V208 HydrophobicContact CB-CG1 4.06Å; E182-V208 HydrophobicContact CB-CG2 3.53Å; E182-V208 HydrophobicContact CG-CG1 4.38Å; E182-V208 HydrophobicContact CG-CG2 3.92Å; E182-V208 VanDerWaalsContact O-CG2 3.26Å; E182-V208 WeakPolarHBondContact O-CG2 3.44Å; V206-V208 PolarHBondContact O-N 3.1Å; V208-W210 PolarHBondContact O-N 3.41Å; V208-I211 WeakPolarHBondContact O-CB 3.42Å; V208-I211 PolarHBondContact O-N 3.38Å
209	E	92.2	Very high	94.6	Very high	88 Å²	88	35.8 Å²	35.8	41%	0.411	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-63.2	-13.9	177.5	67.7	-83.3	-164.6	0	0	113.2	P207 K212	P207-E209 VanDerWaalsContact C-N 3.27Å; P207-E209 VanDerWaalsContact CB-CD 3.49Å; P207-E209 VanDerWaalsContact CB-OE1 3.26Å; P207-E209 WeakPolarHBondContact CB-OE1 3.37Å; P207-E209 VanDerWaalsContact CB-OE2 3.3Å; P207-E209 WeakPolarHBondContact CB-OE2 3.36Å; P207-E209 PolarHBondContact O-N 3Å; E209-K212 WeakPolarHBondContact O-CE 3.25Å; E209-K212 PolarHBondContact O-NZ 2.6Å
210	W	95.1	Very high	94.9	Very high	14 Å²	14	30.8 Å²	30.8	5%	0.053	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-96.3	-12.7	174.4	-66.7	84.7	0	0	0	113.8	E44 N45 Y48 R49 I60 L62 P207 V208 K212 T215	E44-W210 HydrophobicContact CG-CZ2 4.01Å; N45-W210 VanDerWaalsContact O-CH2 3.22Å; N45-W210 WeakPolarHBondContact O-CH2 3.28Å; Y48-W210 VanDerWaalsContact C-CH2 3.41Å; Y48-W210 WeakPolarHBondContact O-CH2 3.14Å; R49-W210 HydrophobicContact CB-CH2 3.77Å; R49-W210 HydrophobicContact CB-CZ2 3.6Å; R49-W210 HydrophobicContact CB-CZ3 4.31Å; R49-W210 HydrophobicContact CG-CZ2 4.39Å; I60-W210 HydrophobicContact CB-CD2 4.39Å; I60-W210 HydrophobicContact CB-CE3 4.09Å; I60-W210 HydrophobicContact CD1-CB 4.14Å; I60-W210 HydrophobicContact CD1-CD2 4.37Å; I60-W210 HydrophobicContact CD1-CG 4Å; I60-W210 HydrophobicContact CG2-CB 3.88Å; I60-W210 HydrophobicContact CG2-CD2 3.83Å; I60-W210 HydrophobicContact CG2-CE3 3.39Å; I60-W210 HydrophobicContact CG2-CG 4.04Å; I60-W210 HydrophobicContact CG2-CZ3 4.19Å; L62-W210 HydrophobicContact CD1-CE3 4.34Å; L62-W210 HydrophobicContact CD1-CZ3 4.21Å; L62-W210 HydrophobicContact CD2-CE3 3.79Å; L62-W210 HydrophobicContact CD2-CZ3 4.25Å; L62-W210 HydrophobicContact CG-CE3 3.95Å; L62-W210 HydrophobicContact CG-CZ3 3.89Å; P207-W210 WeakPolarHBondContact O-CB 3.46Å; P207-W210 PolarHBondContact O-N 2.7Å; V208-W210 PolarHBondContact O-N 3.41Å; W210-K212 VanDerWaalsContact C-N 3.33Å; W210-K212 PolarHBondContact O-N 3.03Å; W210-T215 WeakPolarHBondContact O-CB 3.42Å; W210-T215 WeakPolarHBondContact O-CG2 3.48Å; W210-T215 PolarHBondContact O-OG1 2.86Å
211	I	94.6	Very high	94.8	Very high	9 Å²	9	31.7 Å²	31.7	5%	0.046	17%	0.167	C	C	.	.			trans	-77.6	84.8	179.8	-59.4	179.3	0	0	0	108.9	Y173 W185 V206 V208	Y173-I211 HydrophobicContact CD1-CG2 3.71Å; Y173-I211 HydrophobicContact CE1-CG1 4.37Å; Y173-I211 HydrophobicContact CE1-CG2 3.6Å; Y173-I211 HydrophobicContact CG-CG2 4.36Å; W185-I211 HydrophobicContact CB-CD1 4.44Å; W185-I211 HydrophobicContact CB-CG2 4.39Å; W185-I211 HydrophobicContact CD2-CG2 4.04Å; W185-I211 HydrophobicContact CG-CD1 4.33Å; W185-I211 HydrophobicContact CG-CG2 3.84Å; V206-I211 HydrophobicContact CB-CD1 4.47Å; V206-I211 HydrophobicContact CB-CG1 4.5Å; V206-I211 HydrophobicContact CG1-CD1 4.36Å; V206-I211 HydrophobicContact CG1-CG1 3.87Å; V208-I211 WeakPolarHBondContact O-CB 3.42Å; V208-I211 PolarHBondContact O-N 3.38Å
212	K	94.6	Very high	94.3	Very high	108 Å²	108	28.5 Å²	28.5	47%	0.47	15%	0.153	S	C	.	.			trans	-133.9	161.5	-175.7	-69.8	170.2	174.9	152.2	0	109.9	Y173 E209 W210 G214 T215	Y173-K212 WeakPolarHBondContact CB-O 3.42Å; E209-K212 WeakPolarHBondContact O-CE 3.25Å; E209-K212 PolarHBondContact O-NZ 2.6Å; W210-K212 VanDerWaalsContact C-N 3.33Å; W210-K212 PolarHBondContact O-N 3.03Å; K212-G214 PolarHBondContact O-N 2.78Å; K212-T215 PolarHBondContact N-OG1 3.43Å; K212-T215 VanDerWaalsContact O-CB 3.3Å; K212-T215 WeakPolarHBondContact O-CB 3.27Å; K212-T215 PolarHBondContact O-N 2.91Å; K212-T215 VanDerWaalsContact O-N 3.1Å; K212-T215 PolarHBondContact O-OG1 2.94Å
213	S	96.1	Very high	93.3	Very high	56 Å²	56	29.6 Å²	29.6	39%	0.392	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	132.3	174.9	-169.3	0	0	0	0	110.5	N175 T215	N175-S213 PolarHBondContact N-OG 3.03Å; S213-T215 VanDerWaalsContact C-N 3.34Å
214	G	96.8	Very high	92.2	Very high	8 Å²	8	30.6 Å²	30.6	8%	0.082	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	11.5	-176.1	0	0	0	0	0	114.2	L62 N63 Q64 Y173 K212	L62-G214 CarbonylContact C-O 3.6Å; N63-G214 PolarHBondContact N-O 3.11Å; Q64-G214 PolarHBondContact N-O 3.31Å; Y173-G214 PolarHBondContact O-N 3.38Å; K212-G214 PolarHBondContact O-N 2.78Å
215	T	97.9	Very high	91	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	131.7	171	-60.7	0	0	0	0	110.4	I60 R61 L62 Y172 Y173 W210 K212 S213 V217	I60-T215 HydrophobicContact CG2-CG2 3.72Å; R61-T215 WeakPolarHBondContact O-CA 3.11Å; L62-T215 HydrophobicContact CD2-CG2 4.09Å; L62-T215 WeakPolarHBondContact CD2-OG1 3.33Å; Y172-T215 WeakPolarHBondContact CA-O 3.18Å; Y172-T215 WeakPolarHBondContact CD2-O 3.23Å; Y173-T215 HydrophobicContact CD2-CG2 4.05Å; Y173-T215 WeakPolarHBondContact CD2-O 3.36Å; Y173-T215 HydrophobicContact CE2-CG2 4.31Å; Y173-T215 PolarHBondContact N-O 2.01Å; Y173-T215 VanDerWaalsContact N-O 3.07Å; W210-T215 WeakPolarHBondContact O-CB 3.42Å; W210-T215 WeakPolarHBondContact O-CG2 3.48Å; W210-T215 PolarHBondContact O-OG1 2.86Å; K212-T215 PolarHBondContact N-OG1 3.43Å; K212-T215 VanDerWaalsContact O-CB 3.3Å; K212-T215 WeakPolarHBondContact O-CB 3.27Å; K212-T215 PolarHBondContact O-N 2.91Å; K212-T215 VanDerWaalsContact O-N 3.1Å; K212-T215 PolarHBondContact O-OG1 2.94Å; S213-T215 VanDerWaalsContact C-N 3.34Å; T215-V217 HydrophobicContact CG2-CG2 3.96Å
216	L	98	Very high	90.4	Very high	11 Å²	11	28.8 Å²	28.8	6%	0.058	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123.9	165.3	-179.4	61	0	0	0	109.2	I60 R61 Q64 P67 F171 Y172	I60-L216 WeakPolarHBondContact CA-O 3.2Å; R61-L216 PolarHBondContact N-O 2.95Å; R61-L216 VanDerWaalsContact NH2-CD2 3.26Å; R61-L216 PolarHBondContact O-N 3.41Å; Q64-L216 HydrophobicContact CB-CB 3.9Å; Q64-L216 HydrophobicContact CB-CD2 4.49Å; Q64-L216 HydrophobicContact CG-CB 3.85Å; Q64-L216 HydrophobicContact CG-CD2 4.49Å; P67-L216 HydrophobicContact CG-CD1 4.24Å; F171-L216 WeakPolarHBondContact O-CA 3.4Å; Y172-L216 HydrophobicContact CD2-CB 4.29Å; Y172-L216 HydrophobicContact CD2-CD1 4.35Å
217	V	98.2	Very high	89.5	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	126.3	173.1	-178	0	0	0	0	108	Q58 R59 I60 S170 F171 Y173 V206 T215 F219	Q58-V217 HydrophobicContact CG-CG1 4.02Å; R59-V217 CarbonylContact O-C 3.55Å; R59-V217 WeakPolarHBondContact O-CA 3.44Å; I60-V217 HydrophobicContact CG1-CG1 4.16Å; I60-V217 HydrophobicContact CG1-CG2 4.14Å; I60-V217 HydrophobicContact CG2-CG2 4.08Å; S170-V217 CarbonylContact C-O 3.59Å; S170-V217 WeakPolarHBondContact CA-O 3.4Å; S170-V217 WeakPolarHBondContact CB-O 3.28Å; F171-V217 HydrophobicContact CB-CB 4.27Å; F171-V217 PolarHBondContact N-O 3.01Å; F171-V217 PolarHBondContact O-N 2.95Å; Y173-V217 HydrophobicContact CE2-CG2 3.93Å; V206-V217 HydrophobicContact CG1-CG2 3.77Å; V206-V217 HydrophobicContact CG2-CB 4.49Å; V206-V217 HydrophobicContact CG2-CG1 4Å; V206-V217 HydrophobicContact CG2-CG2 4.18Å; T215-V217 HydrophobicContact CG2-CG2 3.96Å; V217-F219 HydrophobicContact CG1-CD2 4.2Å; V217-F219 HydrophobicContact CG1-CE2 3.62Å; V217-F219 HydrophobicContact CG1-CZ 3.81Å
218	D	96.8	Very high	88.7	Confident	12 Å²	12	37 Å²	37	6%	0.064	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.7	174.1	-62	-61.5	0	0	0	109.6	Q58 R59 R61 I169 S170	Q58-D218 CarbonylContact C-O 3.55Å; Q58-D218 WeakPolarHBondContact CA-O 3.36Å; R59-D218 HydrophobicContact CB-CB 4.49Å; R59-D218 PolarHBondContact N-O 3.23Å; R59-D218 PolarHBondContact O-N 3.33Å; R61-D218 IonicContact CZ-OD2 3.37Å; R61-D218 IonicContact NE-OD2 3.89Å; R61-D218 IonicContact NH2-OD2 2.93Å; R61-D218 PolarHBondContact NH2-OD2 2.77Å; I169-D218 CarbonylContact O-C 3.48Å; S170-D218 WeakPolarHBondContact CB-OD1 3.48Å; S170-D218 PolarHBondContact OG-OD1 2.81Å
219	F	96.3	Very high	88.2	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	106.1	166.6	-56.4	-91.7	0	0	0	107.2	Y56 L57 Q58 R168 I169 F171 I189 I204 V206 V217	Y56-F219 HydrophobicContact CD1-CB 3.8Å; Y56-F219 HydrophobicContact CE1-CB 4.21Å; L57-F219 CarbonylContact O-C 3.5Å; L57-F219 WeakPolarHBondContact O-CA 3.12Å; Q58-F219 HydrophobicContact CB-CD1 4.14Å; Q58-F219 HydrophobicContact CB-CE1 4.26Å; Q58-F219 HydrophobicContact CG-CD1 4.21Å; Q58-F219 HydrophobicContact CG-CE1 3.95Å; Q58-F219 VanDerWaalsContact NE2-CE1 3.27Å; R168-F219 WeakPolarHBondContact CA-O 3.17Å; I169-F219 HydrophobicContact CB-CB 4.32Å; I169-F219 HydrophobicContact CB-CD2 4.42Å; I169-F219 HydrophobicContact CG2-CD2 4.44Å; I169-F219 PolarHBondContact N-O 3.3Å; I169-F219 PolarHBondContact O-N 3.39Å; F171-F219 AromaticContact CD2-CE2 3.78Å; F171-F219 HydrophobicContact CD2-CE2 3.78Å; F171-F219 HydrophobicContact CD2-CZ 4.4Å; F171-F219 HydrophobicContact CE1-CE2 4.39Å; F171-F219 AromaticContact CE2-CE2 3.56Å; F171-F219 HydrophobicContact CE2-CE2 3.56Å; F171-F219 HydrophobicContact CE2-CZ 4.02Å; F171-F219 HydrophobicContact CG-CE2 4.29Å; F171-F219 AromaticContact CZ-CE2 3.9Å; F171-F219 HydrophobicContact CZ-CE2 3.9Å; I189-F219 HydrophobicContact CD1-CB 3.83Å; I189-F219 HydrophobicContact CD1-CD1 3.47Å; I189-F219 VanDerWaalsContact CD1-CD1 3.47Å; I189-F219 HydrophobicContact CD1-CD2 4.45Å; I189-F219 HydrophobicContact CD1-CE1 4.07Å; I189-F219 HydrophobicContact CD1-CG 3.68Å; I189-F219 HydrophobicContact CG1-CD1 3.8Å; I189-F219 HydrophobicContact CG1-CE1 3.85Å; I189-F219 HydrophobicContact CG1-CG 4.26Å; I189-F219 HydrophobicContact CG1-CZ 4.38Å; I189-F219 HydrophobicContact CG2-CD2 4.23Å; I189-F219 HydrophobicContact CG2-CE2 4.2Å; I189-F219 HydrophobicContact CG2-CG 4.48Å; I189-F219 HydrophobicContact CG2-CZ 4.39Å; I204-F219 HydrophobicContact CB-CE1 4.11Å; I204-F219 HydrophobicContact CG2-CD1 4.09Å; I204-F219 HydrophobicContact CG2-CE1 3.6Å; V206-F219 HydrophobicContact CG2-CE2 4.39Å; V206-F219 HydrophobicContact CG2-CZ 3.79Å; V217-F219 HydrophobicContact CG1-CD2 4.2Å; V217-F219 HydrophobicContact CG1-CE2 3.62Å; V217-F219 HydrophobicContact CG1-CZ 3.81Å
220	E	92.2	Very high	87.8	Confident	10 Å²	10	39.7 Å²	39.7	5%	0.047	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	123.6	177.2	-164.1	-175.5	146.6	0	0	109.8	Y56 L57 V222 D259 T262 K266	Y56-E220 WeakPolarHBondContact CA-O 3.16Å; L57-E220 PolarHBondContact N-O 3.29Å; L57-E220 PolarHBondContact O-N 3.37Å; E220-V222 PolarHBondContact O-N 3.03Å; E220-D259 VanDerWaalsContact OE1-CB 3.25Å; E220-D259 WeakPolarHBondContact OE1-CB 3.36Å; E220-T262 VanDerWaalsContact CD-OG1 3.29Å; E220-T262 PolarHBondContact OE1-OG1 2.86Å; E220-T262 WeakPolarHBondContact OE2-CB 3.44Å; E220-T262 PolarHBondContact OE2-OG1 3.38Å; E220-K266 VanDerWaalsContact OE1-CE 3.31Å; E220-K266 WeakPolarHBondContact OE1-CE 3.31Å; E220-K266 IonicContact OE1-NZ 2.79Å; E220-K266 PolarHBondContact OE1-NZ 2.94Å; E220-K266 WeakPolarHBondContact OE2-CE 3.43Å; E220-K266 IonicContact OE2-NZ 3.85Å; E220-K266 PolarHBondContact OE2-NZ 2.8Å
221	A	87.1	Confident	87.4	Confident	19 Å²	19	44.9 Å²	44.9	16%	0.157	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	123.1	177.5	0	0	0	0	0	110.2	N55 Y56	N55-A221 CarbonylContact O-C 3.53Å; N55-A221 WeakPolarHBondContact O-CA 3.25Å; Y56-A221 HydrophobicContact CD1-CB 4.44Å; Y56-A221 HydrophobicContact CE1-CB 4.05Å
222	V	80.4	Confident	87.1	Confident	15 Å²	15	48.4 Å²	48.4	9%	0.091	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-100.5	116.6	173	-176.2	0	0	0	0	106.9	L52 N55 L57 E220 I255 D256	L52-V222 HydrophobicContact CD1-CG2 4.25Å; N55-V222 PolarHBondContact O-N 2.89Å; L57-V222 HydrophobicContact CB-CG2 3.87Å; E220-V222 PolarHBondContact O-N 3.03Å; V222-I255 HydrophobicContact CG1-CB 4.18Å; V222-I255 HydrophobicContact CG1-CG2 4.43Å; V222-D256 HydrophobicContact CG1-CB 4.49Å
223	G	72.1	Confident	86.8	Confident	25 Å²	25	49.1 Å²	49.1	26%	0.258	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-72.8	173.3	174.2	0	0	0	0	0	111.8	D256	G223-D256 VanDerWaalsContact C-CG 3.43Å; G223-D256 WeakPolarHBondContact CA-OD2 3.42Å; G223-D256 PolarHBondContact N-OD2 2.77Å; G223-D256 VanDerWaalsContact O-CG 3.31Å
224	N	70.8	Confident	86.5	Confident	89 Å²	89	48.3 Å²	48.3	48%	0.476	26%	0.256	S	S	.	.	S	Bend	trans	-104.7	16.2	179.6	64	-0.9	0	0	0	112.4
225	I	72.6	Confident	86.1	Confident	63 Å²	63	48 Å²	48	32%	0.323	25%	0.252	S	S	.	.	S	Bend	trans	-79.5	-50.8	-171.6	-67.7	172	0	0	0	109.4	P240 I243 D256	I225-P240 HydrophobicContact CG2-CB 3.5Å; I225-P240 HydrophobicContact CG2-CG 3.42Å; I225-P240 VanDerWaalsContact CG2-CG 3.42Å; I225-I243 HydrophobicContact CB-CD1 4.4Å; I225-I243 HydrophobicContact CD1-CD1 3.28Å; I225-I243 HydrophobicContact CG1-CD1 4.37Å; I225-I243 HydrophobicContact CG2-CD1 4.49Å; I225-D256 PolarHBondContact N-OD1 2.74Å; I225-D256 PolarHBondContact N-OD2 2.93Å
226	C	82.1	Confident	85.6	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-74.2	-32.1	177.5	-59.7	0	0	0	0	111.9	K228 N229 C245 C254 D256	C226-K228 PolarHBondContact O-N 2.87Å; C226-N229 WeakPolarHBondContact O-CB 2.92Å; C226-N229 PolarHBondContact O-N 2.9Å; C226-N229 PolarHBondContact O-ND2 3.5Å; C226-N229 VanDerWaalsContact O-ND2 3.16Å; C226-C245 HydrophobicContact CB-CB 3.63Å; C226-C245 WeakPolarHBondContact CB-SG 3.12Å; C226-C245 WeakPolarHBondContact SG-CA 3.43Å; C226-C245 WeakPolarHBondContact SG-CB 3.47Å; C226-C245 CovalentContact SG-SG 2.03Å; C226-C245 PolarHBondContact SG-SG 3.1Å; C226-C254 VanDerWaalsContact CB-SG 3.55Å; C226-C254 WeakPolarHBondContact O-CB 3.33Å; C226-C254 PolarHBondContact O-SG 2.8Å; C226-D256 WeakPolarHBondContact CA-OD1 3.5Å; C226-D256 WeakPolarHBondContact CB-OD1 3.39Å; C226-D256 PolarHBondContact N-OD1 2.77Å; C226-D256 PolarHBondContact SG-OD1 3.42Å; C226-D256 VanDerWaalsContact SG-OD1 3.35Å
227	A	78.1	Confident	85	Confident	51 Å²	51	60.6 Å²	60.6	42%	0.421	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-57.1	-15.4	-179.4	0	0	0	0	0	114.8	N229 C254	A227-N229 PolarHBondContact O-N 3.45Å; A227-C254 WeakPolarHBondContact CA-O 3.41Å; A227-C254 PolarHBondContact N-O 2.94Å
228	K	78.4	Confident	84.3	Confident	154 Å²	154	61.6 Å²	61.6	67%	0.67	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-65.3	-26.3	171.7	-63.4	175.2	-174	174.1	0	112.8	C226 K230	C226-K228 PolarHBondContact O-N 2.87Å; K228-K230 PolarHBondContact O-N 2.82Å
229	N	82.2	Confident	83.3	Confident	42 Å²	42	70.1 Å²	70.1	23%	0.225	35%	0.353	C	S	.	.			trans	-83.2	107.5	179.4	-61.2	-68.3	0	0	0	110.1	C226 A227 M231 A234 C235 A238 C254	C226-N229 WeakPolarHBondContact O-CB 2.92Å; C226-N229 PolarHBondContact O-N 2.9Å; C226-N229 PolarHBondContact O-ND2 3.5Å; C226-N229 VanDerWaalsContact O-ND2 3.16Å; A227-N229 PolarHBondContact O-N 3.45Å; N229-M231 VanDerWaalsContact C-N 3.32Å; N229-A234 HydrophobicContact CB-CB 4.12Å; N229-C235 HydrophobicContact CB-CB 4.18Å; N229-A238 WeakPolarHBondContact ND2-CB 3.09Å; N229-C254 HydrophobicContact CB-CB 4.29Å; N229-C254 WeakPolarHBondContact O-CB 3.5Å
230	K	82.6	Confident	82.2	Confident	147 Å²	147	71.9 Å²	71.9	64%	0.639	37%	0.365	S	S	*	.			trans	-84.7	-2.7	-179	-59.3	-177.8	-178.6	173.4	0	114.1	K228	K228-K230 PolarHBondContact O-N 2.82Å
231	M	87.1	Confident	81	Confident	123 Å²	123	76.7 Å²	76.7	61%	0.606	40%	0.4	S	S	*	.	S	Bend	trans	-127.2	139.5	-176.5	-63.5	-179.6	69.3	0	0	110	N229 E233 A234 C235	N229-M231 VanDerWaalsContact C-N 3.32Å; M231-E233 VanDerWaalsContact C-N 3.34Å; M231-E233 PolarHBondContact O-N 2.82Å; M231-A234 HydrophobicContact CB-CB 4.32Å; M231-A234 PolarHBondContact O-N 3.31Å; M231-A234 VanDerWaalsContact O-N 3.09Å; M231-C235 PolarHBondContact O-N 2.81Å
232	K	89	Confident	80.3	Confident	83 Å²	83	84.2 Å²	84.2	36%	0.361	44%	0.437	S	S	.	.	H	α-helix	trans	-47.9	-53.8	178.2	178.1	173.9	178.1	176.9	0	112.8	A234 C235 E236 W247 E249	K232-A234 VanDerWaalsContact C-N 3.26Å; K232-A234 PolarHBondContact O-N 3.02Å; K232-C235 WeakPolarHBondContact O-CA 3.45Å; K232-C235 VanDerWaalsContact O-CB 3.3Å; K232-C235 WeakPolarHBondContact O-CB 3.4Å; K232-C235 PolarHBondContact O-N 3.16Å; K232-C235 VanDerWaalsContact O-N 3.07Å; K232-E236 WeakPolarHBondContact CE-OE1 2.97Å; K232-E236 HydrophobicContact CG-CG 4.3Å; K232-E236 WeakPolarHBondContact O-CG 3.35Å; K232-E236 PolarHBondContact O-N 3.06Å; K232-W247 VanDerWaalsContact CA-CD2 3.48Å; K232-W247 HydrophobicContact CB-CD2 3.77Å; K232-W247 HydrophobicContact CB-CE3 4.43Å; K232-W247 HydrophobicContact CB-CG 3.85Å; K232-W247 HydrophobicContact CB-CZ2 4.24Å; K232-W247 HydrophobicContact CD-CG 4.36Å; K232-W247 HydrophobicContact CG-CB 4.17Å; K232-W247 HydrophobicContact CG-CD2 4.19Å; K232-W247 HydrophobicContact CG-CG 3.7Å; K232-E249 WeakPolarHBondContact CD-OE1 3.21Å; K232-E249 WeakPolarHBondContact CE-OE1 3.07Å; K232-E249 IonicContact NZ-OE1 3.52Å; K232-E249 PolarHBondContact NZ-OE1 3.09Å
233	E	88	Confident	80.3	Confident	123 Å²	123	85 Å²	85	58%	0.575	44%	0.441	S	S	*	.	H	α-helix	trans	-61.2	-35.9	-177.2	-63.5	162	-167.2	0	0	112.6	M231 K237	M231-E233 VanDerWaalsContact C-N 3.34Å; M231-E233 PolarHBondContact O-N 2.82Å; E233-K237 WeakPolarHBondContact O-CB 3.37Å; E233-K237 WeakPolarHBondContact O-CD 3.46Å; E233-K237 WeakPolarHBondContact O-CG 3.36Å; E233-K237 PolarHBondContact O-N 2.78Å
234	A	89	Confident	80.8	Confident	40 Å²	40	85.7 Å²	85.7	33%	0.331	44%	0.444	S	S	.	.	H	α-helix	trans	-71.9	-40.1	176.4	0	0	0	0	0	111	N229 M231 K232 K237 A238	N229-A234 HydrophobicContact CB-CB 4.12Å; M231-A234 HydrophobicContact CB-CB 4.32Å; M231-A234 PolarHBondContact O-N 3.31Å; M231-A234 VanDerWaalsContact O-N 3.09Å; K232-A234 VanDerWaalsContact C-N 3.26Å; K232-A234 PolarHBondContact O-N 3.02Å; A234-K237 PolarHBondContact O-N 2.65Å; A234-A238 WeakPolarHBondContact O-CB 3.48Å; A234-A238 PolarHBondContact O-N 3.19Å
235	C	90.3	Very high	81.7	Confident	0 Å²	0	82.5 Å²	82.5	0%	0	43%	0.428	C	S	.	.	H	α-helix	trans	-61.1	-49.1	175.4	-176.2	0	0	0	0	112.1	N229 M231 K232 K237 A238 C245 I246 W247 C254	N229-C235 HydrophobicContact CB-CB 4.18Å; M231-C235 PolarHBondContact O-N 2.81Å; K232-C235 WeakPolarHBondContact O-CA 3.45Å; K232-C235 VanDerWaalsContact O-CB 3.3Å; K232-C235 WeakPolarHBondContact O-CB 3.4Å; K232-C235 PolarHBondContact O-N 3.16Å; K232-C235 VanDerWaalsContact O-N 3.07Å; C235-K237 VanDerWaalsContact C-N 3.27Å; C235-K237 PolarHBondContact O-N 2.92Å; C235-A238 WeakPolarHBondContact O-CB 3.37Å; C235-A238 PolarHBondContact O-N 3.24Å; C235-A238 VanDerWaalsContact O-N 3.14Å; C235-C245 WeakPolarHBondContact O-CB 3.5Å; C235-I246 VanDerWaalsContact SG-C 3.53Å; C235-W247 HydrophobicContact CB-CB 4.22Å; C235-W247 HydrophobicContact CB-CD2 4.47Å; C235-W247 HydrophobicContact CB-CE3 3.67Å; C235-W247 HydrophobicContact CB-CZ3 4.44Å; C235-W247 PolarHBondContact SG-N 2.8Å; C235-W247 VanDerWaalsContact SG-N 3.43Å; C235-C254 VanDerWaalsContact CA-SG 3.51Å; C235-C254 HydrophobicContact CB-CB 3.62Å; C235-C254 WeakPolarHBondContact CB-SG 3.35Å; C235-C254 VanDerWaalsContact SG-CA 3.53Å; C235-C254 WeakPolarHBondContact SG-CB 3.34Å; C235-C254 CovalentContact SG-SG 2.01Å; C235-C254 PolarHBondContact SG-SG 2.98Å
236	E	86.4	Confident	82.4	Confident	112 Å²	112	80.1 Å²	80.1	52%	0.523	42%	0.416	S	S	.	.	H	α-helix	trans	-67.7	-27.4	-178.3	-69.6	176.9	159.6	0	0	112.9	K232 W247	K232-E236 WeakPolarHBondContact CE-OE1 2.97Å; K232-E236 HydrophobicContact CG-CG 4.3Å; K232-E236 WeakPolarHBondContact O-CG 3.35Å; K232-E236 PolarHBondContact O-N 3.06Å; E236-W247 HydrophobicContact CG-CB 4.46Å
237	K	85.4	Confident	82.8	Confident	164 Å²	164	81.3 Å²	81.3	71%	0.713	42%	0.421	S	S	*	.	H	α-helix	trans	-87.2	-12.5	175.4	-69.2	172	-173.4	169.8	0	113.1	E233 A234 C235 K239	E233-K237 WeakPolarHBondContact O-CB 3.37Å; E233-K237 WeakPolarHBondContact O-CD 3.46Å; E233-K237 WeakPolarHBondContact O-CG 3.36Å; E233-K237 PolarHBondContact O-N 2.78Å; A234-K237 PolarHBondContact O-N 2.65Å; C235-K237 VanDerWaalsContact C-N 3.27Å; C235-K237 PolarHBondContact O-N 2.92Å; K237-K239 PolarHBondContact O-N 3.37Å
238	A	83.2	Confident	83.1	Confident	21 Å²	21	78.9 Å²	78.9	17%	0.174	40%	0.401	C	S	.	.			trans	-70.4	125.7	-176.8	0	0	0	0	0	110.5	N229 A234 C235 C245	N229-A238 WeakPolarHBondContact ND2-CB 3.09Å; A234-A238 WeakPolarHBondContact O-CB 3.48Å; A234-A238 PolarHBondContact O-N 3.19Å; C235-A238 WeakPolarHBondContact O-CB 3.37Å; C235-A238 PolarHBondContact O-N 3.24Å; C235-A238 VanDerWaalsContact O-N 3.14Å; A238-C245 HydrophobicContact CB-CB 4.29Å
239	K	76.6	Confident	83.5	Confident	192 Å²	192	75.6 Å²	75.6	84%	0.835	39%	0.387	S	S	*	.			trans	-128.7	62.4	171.1	-65.7	-174.5	178.8	-176.1	0	111.2	K237 S241	K237-K239 PolarHBondContact O-N 3.37Å; K239-S241 PolarHBondContact O-N 2.79Å
240	P	72.4	Confident	83.4	Confident	36 Å²	36	75.9 Å²	75.9	23%	0.234	39%	0.389	C	S	.	.			trans	-75.9	115.7	179	30.1	-30.1	0	0	0	110.1	I225 D242 I243	I225-P240 HydrophobicContact CG2-CB 3.5Å; I225-P240 HydrophobicContact CG2-CG 3.42Å; I225-P240 VanDerWaalsContact CG2-CG 3.42Å; P240-D242 PolarHBondContact O-N 3.11Å; P240-D242 VanDerWaalsContact O-N 3.14Å; P240-I243 WeakPolarHBondContact O-CB 3.33Å; P240-I243 PolarHBondContact O-N 3.49Å
241	S	67.7	Low	83.3	Confident	112 Å²	112	69.2 Å²	69.2	78%	0.783	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	39.7	60.6	161.1	-45.9	0	0	0	0	114.4	K239 I243	K239-S241 PolarHBondContact O-N 2.79Å; S241-I243 PolarHBondContact O-N 2.88Å; S241-I243 VanDerWaalsContact O-N 3.16Å
242	D	72.8	Confident	83.2	Confident	176 Å²	176	68.3 Å²	68.3	94%	0.941	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	7.9	176.6	-50.7	-39.8	0	0	0	117	P240	P240-D242 PolarHBondContact O-N 3.11Å; P240-D242 VanDerWaalsContact O-N 3.14Å
243	I	79	Confident	83	Confident	32 Å²	32	66.8 Å²	66.8	16%	0.164	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-94.6	123.7	175.3	-65.4	169.4	0	0	0	109.9	I225 P240 S241 D256 N258	I225-I243 HydrophobicContact CB-CD1 4.4Å; I225-I243 HydrophobicContact CD1-CD1 3.28Å; I225-I243 HydrophobicContact CG1-CD1 4.37Å; I225-I243 HydrophobicContact CG2-CD1 4.49Å; P240-I243 WeakPolarHBondContact O-CB 3.33Å; P240-I243 PolarHBondContact O-N 3.49Å; S241-I243 PolarHBondContact O-N 2.88Å; S241-I243 VanDerWaalsContact O-N 3.16Å; I243-D256 HydrophobicContact CG2-CB 4.08Å; I243-N258 WeakPolarHBondContact CG2-OD1 3.16Å
244	A	84	Confident	83	Confident	40 Å²	40	61 Å²	61	33%	0.331	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	132.6	171.2	0	0	0	0	0	110.1	S257	A244-S257 WeakPolarHBondContact O-CA 3.39Å; A244-S257 WeakPolarHBondContact O-CB 3.42Å; A244-S257 PolarHBondContact O-N 3.21Å
245	C	88	Confident	82.9	Confident	22 Å²	22	59.3 Å²	59.3	15%	0.149	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	135.6	175.8	-60.6	0	0	0	0	110.6	C226 C235 A238	C226-C245 HydrophobicContact CB-CB 3.63Å; C226-C245 WeakPolarHBondContact CB-SG 3.12Å; C226-C245 WeakPolarHBondContact SG-CA 3.43Å; C226-C245 WeakPolarHBondContact SG-CB 3.47Å; C226-C245 CovalentContact SG-SG 2.03Å; C226-C245 PolarHBondContact SG-SG 3.1Å; C235-C245 WeakPolarHBondContact O-CB 3.5Å; A238-C245 HydrophobicContact CB-CB 4.29Å
246	I	87.6	Confident	82.6	Confident	12 Å²	12	59.3 Å²	59.3	6%	0.062	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.3	176.9	-59.3	170.7	0	0	0	108.4	C235 I255 K266 V267 C270	C235-I246 VanDerWaalsContact SG-C 3.53Å; I246-I255 HydrophobicContact CB-CG1 3.95Å; I246-I255 HydrophobicContact CG2-CG1 4.5Å; I246-I255 PolarHBondContact N-O 2.79Å; I246-I255 WeakPolarHBondContact O-CG1 3.43Å; I246-I255 PolarHBondContact O-N 2.94Å; I246-K266 HydrophobicContact CD1-CB 3.64Å; I246-K266 HydrophobicContact CD1-CD 4.45Å; I246-V267 HydrophobicContact CD1-CG2 3.57Å; I246-V267 HydrophobicContact CG1-CG2 3.93Å; I246-V267 HydrophobicContact CG2-CG2 4.33Å; I246-C270 HydrophobicContact CG2-CB 4.17Å
247	W	90.4	Very high	82.5	Confident	26 Å²	26	54.3 Å²	54.3	10%	0.098	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	125.2	168.1	-176.6	-102.7	0	0	0	109.9	K232 C235 E236 N252 C254	K232-W247 VanDerWaalsContact CA-CD2 3.48Å; K232-W247 HydrophobicContact CB-CD2 3.77Å; K232-W247 HydrophobicContact CB-CE3 4.43Å; K232-W247 HydrophobicContact CB-CG 3.85Å; K232-W247 HydrophobicContact CB-CZ2 4.24Å; K232-W247 HydrophobicContact CD-CG 4.36Å; K232-W247 HydrophobicContact CG-CB 4.17Å; K232-W247 HydrophobicContact CG-CD2 4.19Å; K232-W247 HydrophobicContact CG-CG 3.7Å; C235-W247 HydrophobicContact CB-CB 4.22Å; C235-W247 HydrophobicContact CB-CD2 4.47Å; C235-W247 HydrophobicContact CB-CE3 3.67Å; C235-W247 HydrophobicContact CB-CZ3 4.44Å; C235-W247 PolarHBondContact SG-N 2.8Å; C235-W247 VanDerWaalsContact SG-N 3.43Å; E236-W247 HydrophobicContact CG-CB 4.46Å; W247-N252 HydrophobicContact CZ2-CB 4.29Å; W247-C254 HydrophobicContact CE3-CB 3.94Å; W247-C254 HydrophobicContact CZ3-CB 4.17Å
248	C	85.8	Confident	81.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	101.3	178.9	-151	0	0	0	0	111	I250 I251 N252 I253 C270	C248-I250 VanDerWaalsContact C-N 3.31Å; C248-I250 PolarHBondContact O-N 2.9Å; C248-I251 HydrophobicContact CB-CD1 4.08Å; C248-I251 HydrophobicContact CB-CG1 3.6Å; C248-I251 PolarHBondContact O-N 3.44Å; C248-N252 WeakPolarHBondContact O-CA 3.44Å; C248-N252 PolarHBondContact O-N 2.82Å; C248-I253 WeakPolarHBondContact CB-O 3.36Å; C248-I253 PolarHBondContact N-O 2.62Å; C248-I253 PolarHBondContact O-N 3.26Å; C248-C270 HydrophobicContact CB-CB 3.78Å; C248-C270 WeakPolarHBondContact CB-SG 3.29Å; C248-C270 WeakPolarHBondContact SG-CA 3.46Å; C248-C270 WeakPolarHBondContact SG-CB 3.41Å; C248-C270 CovalentContact SG-SG 2.05Å; C248-C270 PolarHBondContact SG-SG 2.97Å
249	E	86.1	Confident	81.5	Confident	84 Å²	84	49.6 Å²	49.6	39%	0.393	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-39.5	-175.1	-68.4	-78.5	-171.4	0	0	112	K232 I251 N252 C270	K232-E249 WeakPolarHBondContact CD-OE1 3.21Å; K232-E249 WeakPolarHBondContact CE-OE1 3.07Å; K232-E249 IonicContact NZ-OE1 3.52Å; K232-E249 PolarHBondContact NZ-OE1 3.09Å; E249-I251 PolarHBondContact O-N 3.46Å; E249-N252 PolarHBondContact O-OD1 2.67Å; E249-C270 PolarHBondContact N-O 2.74Å
250	I	79.6	Confident	81.5	Confident	49 Å²	49	47.5 Å²	47.5	25%	0.251	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-37.2	-177.3	-58.1	175.9	0	0	0	111.3	I42 C248 D269 I272	I42-I250 HydrophobicContact CG2-CB 4.48Å; I42-I250 HydrophobicContact CG2-CD1 3.76Å; I42-I250 WeakPolarHBondContact O-CD1 3.5Å; C248-I250 VanDerWaalsContact C-N 3.31Å; C248-I250 PolarHBondContact O-N 2.9Å; I250-D269 WeakPolarHBondContact CD1-O 3.17Å; I250-I272 WeakPolarHBondContact CD1-O 3.43Å
251	I	80.8	Confident	81.9	Confident	6 Å²	6	52.6 Å²	52.6	3%	0.031	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-5.7	-173.1	66.7	172.5	0	0	0	114.6	K40 I42 L52 C248 E249 I253	K40-I251 HydrophobicContact CD-CB 3.76Å; K40-I251 HydrophobicContact CD-CG2 3.47Å; K40-I251 VanDerWaalsContact CD-CG2 3.47Å; K40-I251 VanDerWaalsContact CE-CG2 3.45Å; K40-I251 HydrophobicContact CG-CG2 3.79Å; K40-I251 VanDerWaalsContact NZ-CA 3.31Å; K40-I251 PolarHBondContact NZ-O 3.35Å; I42-I251 HydrophobicContact CD1-CD1 4.18Å; I42-I251 HydrophobicContact CG1-CD1 4.44Å; I42-I251 HydrophobicContact CG1-CG2 4.04Å; L52-I251 HydrophobicContact CB-CD1 4.27Å; L52-I251 HydrophobicContact CD2-CD1 3.43Å; L52-I251 VanDerWaalsContact CD2-CD1 3.43Å; L52-I251 HydrophobicContact CG-CD1 4.43Å; C248-I251 HydrophobicContact CB-CD1 4.08Å; C248-I251 HydrophobicContact CB-CG1 3.6Å; C248-I251 PolarHBondContact O-N 3.44Å; E249-I251 PolarHBondContact O-N 3.46Å; I251-I253 HydrophobicContact CD1-CB 4.12Å; I251-I253 HydrophobicContact CD1-CD1 4.36Å; I251-I253 HydrophobicContact CG1-CB 4.09Å; I251-I253 HydrophobicContact CG1-CG1 4.46Å
252	N	84.8	Confident	82.5	Confident	105 Å²	105	47.8 Å²	47.8	56%	0.561	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	42	-176.5	-66	-49.9	0	0	0	114	W247 C248 E249	W247-N252 HydrophobicContact CZ2-CB 4.29Å; C248-N252 WeakPolarHBondContact O-CA 3.44Å; C248-N252 PolarHBondContact O-N 2.82Å; E249-N252 PolarHBondContact O-OD1 2.67Å
253	I	85.2	Confident	83	Confident	51 Å²	51	41.7 Å²	41.7	26%	0.262	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	142	-179.6	-65.9	174.6	0	0	0	109.8	Y38 L52 C248 I251 I255	Y38-I253 WeakPolarHBondContact OH-CD1 3.29Å; L52-I253 HydrophobicContact CD2-CD1 4.13Å; C248-I253 WeakPolarHBondContact CB-O 3.36Å; C248-I253 PolarHBondContact N-O 2.62Å; C248-I253 PolarHBondContact O-N 3.26Å; I251-I253 HydrophobicContact CD1-CB 4.12Å; I251-I253 HydrophobicContact CD1-CD1 4.36Å; I251-I253 HydrophobicContact CG1-CB 4.09Å; I251-I253 HydrophobicContact CG1-CG1 4.46Å; I253-I255 HydrophobicContact CG2-CG2 3.96Å
254	C	87.3	Confident	83.2	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.014	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	118.6	168.6	-169.3	0	0	0	0	109.7	C226 A227 N229 C235 W247	C226-C254 VanDerWaalsContact CB-SG 3.55Å; C226-C254 WeakPolarHBondContact O-CB 3.33Å; C226-C254 PolarHBondContact O-SG 2.8Å; A227-C254 WeakPolarHBondContact CA-O 3.41Å; A227-C254 PolarHBondContact N-O 2.94Å; N229-C254 HydrophobicContact CB-CB 4.29Å; N229-C254 WeakPolarHBondContact O-CB 3.5Å; C235-C254 VanDerWaalsContact CA-SG 3.51Å; C235-C254 HydrophobicContact CB-CB 3.62Å; C235-C254 WeakPolarHBondContact CB-SG 3.35Å; C235-C254 VanDerWaalsContact SG-CA 3.53Å; C235-C254 WeakPolarHBondContact SG-CB 3.34Å; C235-C254 CovalentContact SG-SG 2.01Å; C235-C254 PolarHBondContact SG-SG 2.98Å; W247-C254 HydrophobicContact CE3-CB 3.94Å; W247-C254 HydrophobicContact CZ3-CB 4.17Å
255	I	87.7	Confident	83.1	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.015	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	149.9	-177.1	63.4	172.1	0	0	0	111.8	V222 I246 I253	V222-I255 HydrophobicContact CG1-CB 4.18Å; V222-I255 HydrophobicContact CG1-CG2 4.43Å; I246-I255 HydrophobicContact CB-CG1 3.95Å; I246-I255 HydrophobicContact CG2-CG1 4.5Å; I246-I255 PolarHBondContact N-O 2.79Å; I246-I255 WeakPolarHBondContact O-CG1 3.43Å; I246-I255 PolarHBondContact O-N 2.94Å; I253-I255 HydrophobicContact CG2-CG2 3.96Å
256	D	85.1	Confident	82.8	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	137.7	173.5	-62.5	19.9	0	0	0	110	V222 G223 I225 C226 I243 K266	V222-D256 HydrophobicContact CG1-CB 4.49Å; G223-D256 VanDerWaalsContact C-CG 3.43Å; G223-D256 WeakPolarHBondContact CA-OD2 3.42Å; G223-D256 PolarHBondContact N-OD2 2.77Å; G223-D256 VanDerWaalsContact O-CG 3.31Å; I225-D256 PolarHBondContact N-OD1 2.74Å; I225-D256 PolarHBondContact N-OD2 2.93Å; C226-D256 WeakPolarHBondContact CA-OD1 3.5Å; C226-D256 WeakPolarHBondContact CB-OD1 3.39Å; C226-D256 PolarHBondContact N-OD1 2.77Å; C226-D256 PolarHBondContact SG-OD1 3.42Å; C226-D256 VanDerWaalsContact SG-OD1 3.35Å; I243-D256 HydrophobicContact CG2-CB 4.08Å; D256-K266 PolarHBondContact O-NZ 2.64Å; D256-K266 VanDerWaalsContact O-NZ 3.11Å
257	S	82.4	Confident	82.7	Confident	8 Å²	8	45.9 Å²	45.9	6%	0.056	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	87.4	171.7	-172.4	0	0	0	0	109.4	A244 H263	A244-S257 WeakPolarHBondContact O-CA 3.39Å; A244-S257 WeakPolarHBondContact O-CB 3.42Å; A244-S257 PolarHBondContact O-N 3.21Å; S257-H263 WeakPolarHBondContact CB-ND1 3.23Å; S257-H263 PolarHBondContact OG-ND1 2.74Å
258	N	72.4	Confident	82.3	Confident	77 Å²	77	49 Å²	49	41%	0.412	25%	0.253	S	S	.	.			trans	-92.6	-19.9	-175.3	-60.5	-19.9	0	0	0	112.8	I243	I243-N258 WeakPolarHBondContact CG2-OD1 3.16Å
259	D	75.2	Confident	82.2	Confident	9 Å²	9	49.5 Å²	49.5	5%	0.048	26%	0.255	C	S	.	.			trans	-101.8	115.7	179.6	-169.6	-21.3	0	0	0	110.3	N166 R168 E220 E261 T262 H263	N166-D259 PolarHBondContact ND2-OD2 3.07Å; R168-D259 IonicContact CZ-OD2 2.62Å; R168-D259 IonicContact NE-OD2 3.39Å; R168-D259 IonicContact NH1-OD1 2.98Å; R168-D259 IonicContact NH1-OD2 2.67Å; R168-D259 PolarHBondContact NH1-OD2 2.9Å; E220-D259 VanDerWaalsContact OE1-CB 3.25Å; E220-D259 WeakPolarHBondContact OE1-CB 3.36Å; D259-E261 VanDerWaalsContact C-N 3.27Å; D259-E261 PolarHBondContact O-N 2.54Å; D259-E261 VanDerWaalsContact OD1-CB 3.29Å; D259-E261 WeakPolarHBondContact OD1-CB 3.2Å; D259-E261 PolarHBondContact OD1-N 2.05Å; D259-T262 HydrophobicContact CB-CG2 4.49Å; D259-T262 WeakPolarHBondContact CB-OG1 3.42Å; D259-T262 PolarHBondContact O-N 3.33Å; D259-T262 PolarHBondContact O-OG1 2.96Å; D259-H263 PolarHBondContact O-N 2.91Å
260	N	77.5	Confident	82	Confident	147 Å²	147	45.5 Å²	45.5	79%	0.786	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-27.6	180	-168.6	42.8	0	0	0	112	T262	N260-T262 VanDerWaalsContact C-N 3.28Å; N260-T262 PolarHBondContact O-N 2.79Å
261	E	79.8	Confident	82.1	Confident	143 Å²	143	51.3 Å²	51.3	67%	0.668	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-32.4	178.5	-59.4	-177.9	159.7	0	0	111.4	R168 D259	R168-E261 IonicContact CZ-OE2 3.53Å; R168-E261 IonicContact NH1-OE2 3.31Å; R168-E261 PolarHBondContact NH1-OE2 3.46Å; R168-E261 IonicContact NH2-OE2 3.6Å; R168-E261 PolarHBondContact NH2-OE2 3.39Å; D259-E261 VanDerWaalsContact C-N 3.27Å; D259-E261 PolarHBondContact O-N 2.54Å; D259-E261 VanDerWaalsContact OD1-CB 3.29Å; D259-E261 WeakPolarHBondContact OD1-CB 3.2Å; D259-E261 PolarHBondContact OD1-N 2.05Å
262	T	80.6	Confident	81.3	Confident	11 Å²	11	53.7 Å²	53.7	7%	0.067	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-6.9	-176.4	70.4	0	0	0	0	113.4	E220 D259 N260 N264 M265 K266	E220-T262 VanDerWaalsContact CD-OG1 3.29Å; E220-T262 PolarHBondContact OE1-OG1 2.86Å; E220-T262 WeakPolarHBondContact OE2-CB 3.44Å; E220-T262 PolarHBondContact OE2-OG1 3.38Å; D259-T262 HydrophobicContact CB-CG2 4.49Å; D259-T262 WeakPolarHBondContact CB-OG1 3.42Å; D259-T262 PolarHBondContact O-N 3.33Å; D259-T262 PolarHBondContact O-OG1 2.96Å; N260-T262 VanDerWaalsContact C-N 3.28Å; N260-T262 PolarHBondContact O-N 2.79Å; T262-N264 PolarHBondContact O-N 2.82Å; T262-M265 WeakPolarHBondContact O-CB 3.48Å; T262-M265 PolarHBondContact O-N 2.82Å; T262-M265 VanDerWaalsContact O-N 3.07Å; T262-K266 PolarHBondContact O-N 3.29Å
263	H	83.6	Confident	79.8	Confident	49 Å²	49	53.7 Å²	53.7	23%	0.227	27%	0.273	C	S	.	.	H	α-helix	trans	-50.8	-55.4	-175.8	178.6	72.7	0	0	0	113	S257 D259 M265 K266 V267	S257-H263 WeakPolarHBondContact CB-ND1 3.23Å; S257-H263 PolarHBondContact OG-ND1 2.74Å; D259-H263 PolarHBondContact O-N 2.91Å; H263-M265 VanDerWaalsContact C-N 3.27Å; H263-M265 PolarHBondContact O-N 2.84Å; H263-K266 WeakPolarHBondContact O-CB 3.32Å; H263-K266 PolarHBondContact O-N 2.92Å; H263-V267 WeakPolarHBondContact O-CG2 3.49Å; H263-V267 PolarHBondContact O-N 2.79Å
264	N	83	Confident	78.1	Confident	116 Å²	116	55 Å²	55	62%	0.62	29%	0.291	S	S	*	.	H	α-helix	trans	-63.5	-35.2	-178.5	-71	-29	0	0	0	112	T262 V267 N268	T262-N264 PolarHBondContact O-N 2.82Å; N264-V267 PolarHBondContact O-N 2.8Å; N264-N268 VanDerWaalsContact O-CG 3.24Å; N264-N268 PolarHBondContact O-N 3.41Å; N264-N268 VanDerWaalsContact O-N 3.1Å; N264-N268 PolarHBondContact O-ND2 2.81Å
265	M	81.4	Confident	75.9	Confident	60 Å²	60	61.6 Å²	61.6	30%	0.296	33%	0.325	S	S	.	.	H	α-helix	trans	-64.6	-48.2	175.7	-64.3	-179.2	67.5	0	0	110.7	Y48 T262 H263 V267 N268 D269	Y48-M265 HydrophobicContact CE2-CE 4.33Å; T262-M265 WeakPolarHBondContact O-CB 3.48Å; T262-M265 PolarHBondContact O-N 2.82Å; T262-M265 VanDerWaalsContact O-N 3.07Å; H263-M265 VanDerWaalsContact C-N 3.27Å; H263-M265 PolarHBondContact O-N 2.84Å; M265-V267 VanDerWaalsContact C-N 3.33Å; M265-V267 PolarHBondContact O-N 3.24Å; M265-N268 WeakPolarHBondContact O-CB 3.42Å; M265-N268 PolarHBondContact O-N 2.86Å; M265-N268 VanDerWaalsContact O-N 3.08Å; M265-D269 VanDerWaalsContact O-CG 3.27Å; M265-D269 PolarHBondContact O-N 2.8Å; M265-D269 VanDerWaalsContact O-OD2 3.11Å
266	K	83.4	Confident	73.3	Confident	1 Å²	1	70 Å²	70	0%	0.004	36%	0.364	C	S	.	.	H	α-helix	trans	-56.8	-44.5	175.6	-75	178	153.7	-177.7	0	112.6	L57 E220 I246 D256 T262 H263 N268 D269 C270	L57-K266 HydrophobicContact CD2-CD 4.46Å; L57-K266 HydrophobicContact CD2-CG 3.99Å; E220-K266 VanDerWaalsContact OE1-CE 3.31Å; E220-K266 WeakPolarHBondContact OE1-CE 3.31Å; E220-K266 IonicContact OE1-NZ 2.79Å; E220-K266 PolarHBondContact OE1-NZ 2.94Å; E220-K266 WeakPolarHBondContact OE2-CE 3.43Å; E220-K266 IonicContact OE2-NZ 3.85Å; E220-K266 PolarHBondContact OE2-NZ 2.8Å; I246-K266 HydrophobicContact CD1-CB 3.64Å; I246-K266 HydrophobicContact CD1-CD 4.45Å; D256-K266 PolarHBondContact O-NZ 2.64Å; D256-K266 VanDerWaalsContact O-NZ 3.11Å; T262-K266 PolarHBondContact O-N 3.29Å; H263-K266 WeakPolarHBondContact O-CB 3.32Å; H263-K266 PolarHBondContact O-N 2.92Å; K266-N268 VanDerWaalsContact C-N 3.27Å; K266-N268 PolarHBondContact O-N 2.91Å; K266-D269 PolarHBondContact O-N 3.3Å; K266-C270 WeakPolarHBondContact O-CB 3.06Å; K266-C270 PolarHBondContact O-N 2.99Å
267	V	84.2	Confident	70.8	Confident	17 Å²	17	75.5 Å²	75.5	10%	0.103	40%	0.398	C	S	.	.	H	α-helix	trans	-58.3	-43.3	176.7	171.5	0	0	0	0	110.7	I246 H263 N264 M265 R271	I246-V267 HydrophobicContact CD1-CG2 3.57Å; I246-V267 HydrophobicContact CG1-CG2 3.93Å; I246-V267 HydrophobicContact CG2-CG2 4.33Å; H263-V267 WeakPolarHBondContact O-CG2 3.49Å; H263-V267 PolarHBondContact O-N 2.79Å; N264-V267 PolarHBondContact O-N 2.8Å; M265-V267 VanDerWaalsContact C-N 3.33Å; M265-V267 PolarHBondContact O-N 3.24Å; V267-R271 WeakPolarHBondContact O-CB 3.33Å; V267-R271 VanDerWaalsContact O-CG 3.23Å; V267-R271 WeakPolarHBondContact O-CG 3.32Å; V267-R271 PolarHBondContact O-N 2.82Å
268	N	82.9	Confident	68.4	Low	92 Å²	92	84.2 Å²	84.2	49%	0.492	44%	0.438	S	S	.	.	H	α-helix	trans	-68.3	-47.8	179.2	-68.5	-22.8	0	0	0	111.7	N264 M265 K266 C270 R271 I272	N264-N268 VanDerWaalsContact O-CG 3.24Å; N264-N268 PolarHBondContact O-N 3.41Å; N264-N268 VanDerWaalsContact O-N 3.1Å; N264-N268 PolarHBondContact O-ND2 2.81Å; M265-N268 WeakPolarHBondContact O-CB 3.42Å; M265-N268 PolarHBondContact O-N 2.86Å; M265-N268 VanDerWaalsContact O-N 3.08Å; K266-N268 VanDerWaalsContact C-N 3.27Å; K266-N268 PolarHBondContact O-N 2.91Å; N268-C270 PolarHBondContact O-N 3.25Å; N268-R271 PolarHBondContact O-N 2.77Å; N268-I272 VanDerWaalsContact O-CG1 3.28Å; N268-I272 WeakPolarHBondContact O-CG1 3.45Å; N268-I272 PolarHBondContact O-N 2.95Å; N268-I272 VanDerWaalsContact O-N 3.14Å
269	D	83.1	Confident	66.3	Low	9 Å²	9	90.4 Å²	90.4	5%	0.048	46%	0.456	C	S	.	.	H	α-helix	trans	-55.2	-38.9	178.3	-66	-38.8	0	0	0	111.7	I42 Y48 D50 R59 I250 M265 K266	I42-D269 WeakPolarHBondContact CG2-O 3.41Å; Y48-D269 WeakPolarHBondContact CE1-OD1 3.44Å; Y48-D269 PolarHBondContact OH-OD1 3.33Å; Y48-D269 PolarHBondContact OH-OD2 2.83Å; D50-D269 WeakPolarHBondContact OD2-CB 3.19Å; R59-D269 IonicContact CZ-OD2 3.81Å; R59-D269 VanDerWaalsContact CZ-OD2 3.31Å; R59-D269 IonicContact NE-OD2 2.67Å; R59-D269 PolarHBondContact NE-OD2 3.24Å; R59-D269 IonicContact NH2-OD2 3.84Å; R59-D269 PolarHBondContact NH2-OD2 3.11Å; I250-D269 WeakPolarHBondContact CD1-O 3.17Å; M265-D269 VanDerWaalsContact O-CG 3.27Å; M265-D269 PolarHBondContact O-N 2.8Å; M265-D269 VanDerWaalsContact O-OD2 3.11Å; K266-D269 PolarHBondContact O-N 3.3Å
270	C	83	Confident	64.1	Low	1 Å²	1	98.1 Å²	98.1	1%	0.007	50%	0.497	C	S	.	.	H	α-helix	trans	-79.2	-14	-179.2	-84.4	0	0	0	0	115.5	I246 C248 E249 K266 N268	I246-C270 HydrophobicContact CG2-CB 4.17Å; C248-C270 HydrophobicContact CB-CB 3.78Å; C248-C270 WeakPolarHBondContact CB-SG 3.29Å; C248-C270 WeakPolarHBondContact SG-CA 3.46Å; C248-C270 WeakPolarHBondContact SG-CB 3.41Å; C248-C270 CovalentContact SG-SG 2.05Å; C248-C270 PolarHBondContact SG-SG 2.97Å; E249-C270 PolarHBondContact N-O 2.74Å; K266-C270 WeakPolarHBondContact O-CB 3.06Å; K266-C270 PolarHBondContact O-N 2.99Å; N268-C270 PolarHBondContact O-N 3.25Å
271	R	80.1	Confident	61.8	Low	170 Å²	170	97.1 Å²	97.1	64%	0.642	50%	0.496	S	S	*	.	H	α-helix	trans	-104.8	-20.4	-177.1	-75.7	177.5	179.1	174.7	2.7	113.8	V267 N268 P273	V267-R271 WeakPolarHBondContact O-CB 3.33Å; V267-R271 VanDerWaalsContact O-CG 3.23Å; V267-R271 WeakPolarHBondContact O-CG 3.32Å; V267-R271 PolarHBondContact O-N 2.82Å; N268-R271 PolarHBondContact O-N 2.77Å; R271-P273 WeakPolarHBondContact O-CD 3.46Å
272	I	65.1	Low	59.2	Low	57 Å²	57	99.1 Å²	99.1	29%	0.292	50%	0.502	S	S	.	.	S	Bend	trans	-66.3	115.1	-178.6	-68.3	160.3	0	0	0	108.7	I250 N268 A274	I250-I272 WeakPolarHBondContact CD1-O 3.43Å; N268-I272 VanDerWaalsContact O-CG1 3.28Å; N268-I272 WeakPolarHBondContact O-CG1 3.45Å; N268-I272 PolarHBondContact O-N 2.95Å; N268-I272 VanDerWaalsContact O-N 3.14Å; I272-A274 PolarHBondContact O-N 2.85Å
273	P	53.8	Low	56.8	Low	105 Å²	105	106.8 Å²	106.8	68%	0.682	54%	0.539	S	S	*	.			trans	-59.9	130.7	168.8	-14.2	28.5	0	0	0	107.3	R271 I275	R271-P273 WeakPolarHBondContact O-CD 3.46Å; P273-I275 VanDerWaalsContact C-N 3.34Å; P273-I275 PolarHBondContact O-N 2.8Å
274	A	48.8	Very low	54.1	Low	77 Å²	77	109.4 Å²	109.4	64%	0.636	56%	0.559	S	S	*	*			trans	-52.2	100.5	174.9	0	0	0	0	0	108.7	I272 Q276	I272-A274 PolarHBondContact O-N 2.85Å; A274-Q276 PolarHBondContact O-N 2.74Å
275	I	40.8	Very low	51.5	Low	142 Å²	142	108.8 Å²	108.8	73%	0.728	56%	0.559	S	S	*	*			trans	-61.4	117.2	172.2	-65.4	174.8	0	0	0	104	P273 T277	P273-I275 VanDerWaalsContact C-N 3.34Å; P273-I275 PolarHBondContact O-N 2.8Å; I275-T277 PolarHBondContact O-N 3.4Å; I275-T277 PolarHBondContact O-OG1 3.1Å
276	Q	32.7	Very low	49.1	Very low	179 Å²	179	111.9 Å²	111.9	84%	0.836	58%	0.576	S	S	*	*			trans	-62.9	86.5	177.4	-66.3	-153.9	-1.3	0	0	108.4	A274 E278	A274-Q276 PolarHBondContact O-N 2.74Å; Q276-E278 VanDerWaalsContact C-N 3.28Å; Q276-E278 PolarHBondContact O-N 3.26Å
277	T	32.3	Very low	46.4	Very low	116 Å²	116	122 Å²	122	71%	0.712	61%	0.614	S	S	*	*			trans	-70	97.2	163.9	-5.7	0	0	0	0	105.8	I275 R279	I275-T277 PolarHBondContact O-N 3.4Å; I275-T277 PolarHBondContact O-OG1 3.1Å; T277-R279 PolarHBondContact O-N 3.48Å
278	E	31.8	Very low	44	Very low	191 Å²	191	126.9 Å²	126.9	89%	0.893	64%	0.644	S	S	*	*			trans	-50.2	90.3	166.9	-71.1	176.8	156.3	0	0	109.4	Q276	Q276-E278 VanDerWaalsContact C-N 3.28Å; Q276-E278 PolarHBondContact O-N 3.26Å
279	R	29.2	Very low	41.6	Very low	207 Å²	207	126 Å²	126	78%	0.781	64%	0.642	S	S	*	*			trans	-137.1	118.9	156.1	-147	-179.5	-68.4	171.4	-0.1	104.9	T277 V281	T277-R279 PolarHBondContact O-N 3.48Å; R279-V281 PolarHBondContact O-N 2.88Å
280	N	28.1	Very low	39.7	Very low	171 Å²	171	132.7 Å²	132.7	91%	0.914	67%	0.673	S	S	*	*			trans	-54.4	58.2	-175.8	-74.2	-50.8	0	0	0	114.2	K282	N280-K282 PolarHBondContact O-N 3.08Å
281	V	30.7	Very low	37.4	Very low	125 Å²	125	140.5 Å²	140.5	76%	0.758	71%	0.707	S	S	*	*			trans	-79.4	91.1	162.2	-175.8	0	0	0	0	104	R279 M283	R279-V281 PolarHBondContact O-N 2.88Å; V281-M283 VanDerWaalsContact C-N 3.28Å; V281-M283 PolarHBondContact O-N 3.38Å
282	K	25.6	Very low	35.4	Very low	185 Å²	185	135.7 Å²	135.7	80%	0.804	70%	0.696	S	S	*	*			trans	-21.5	94.5	158.9	-140.2	174.6	-173.4	179.1	0	108.4	N280 T284	N280-K282 PolarHBondContact O-N 3.08Å; K282-T284 PolarHBondContact O-N 3.2Å; K282-T284 PolarHBondContact O-OG1 3.4Å
283	M	28.8	Very low	34	Very low	172 Å²	172	137.3 Å²	137.3	85%	0.847	71%	0.705	S	S	*	*			trans	-70.8	81.9	177.9	-169.6	178.6	-67.9	0	0	103.7	V281 T285	V281-M283 VanDerWaalsContact C-N 3.28Å; V281-M283 PolarHBondContact O-N 3.38Å; M283-T285 VanDerWaalsContact C-N 3.28Å; M283-T285 PolarHBondContact O-N 3.05Å; M283-T285 PolarHBondContact O-OG1 3.4Å
284	T	28	Very low	33.2	Very low	104 Å²	104	135.8 Å²	135.8	64%	0.638	69%	0.694	S	S	*	*			trans	-61	106.2	175.8	-41.1	0	0	0	0	102.9	K282 I286	K282-T284 PolarHBondContact O-N 3.2Å; K282-T284 PolarHBondContact O-OG1 3.4Å; T284-I286 HydrophobicContact CG2-CG1 4.32Å; T284-I286 PolarHBondContact O-N 3.29Å
285	T	28.8	Very low	32.6	Very low	103 Å²	103	136.3 Å²	136.3	63%	0.632	69%	0.689	S	S	*	*			trans	-69.3	68.6	-170.7	-17.5	0	0	0	0	108.1	M283 W287	M283-T285 VanDerWaalsContact C-N 3.28Å; M283-T285 PolarHBondContact O-N 3.05Å; M283-T285 PolarHBondContact O-OG1 3.4Å; T285-W287 HydrophobicContact CG2-CG 4.46Å; T285-W287 PolarHBondContact O-N 3.04Å
286	I	29.1	Very low	32.4	Very low	126 Å²	126	136 Å²	136	65%	0.646	68%	0.683	S	S	*	*			trans	-82.1	71.1	168.8	-59.8	-178.6	0	0	0	103.9	T284 V288	T284-I286 HydrophobicContact CG2-CG1 4.32Å; T284-I286 PolarHBondContact O-N 3.29Å; I286-V288 HydrophobicContact CG2-CB 3.9Å; I286-V288 HydrophobicContact CG2-CG2 3.17Å; I286-V288 PolarHBondContact O-N 2.81Å
287	W	28.4	Very low	32.8	Very low	213 Å²	213	129.8 Å²	129.8	81%	0.807	66%	0.657	S	S	*	*			trans	-64.7	71.7	150	-64.2	93.7	0	0	0	105.8	T285 T289	T285-W287 HydrophobicContact CG2-CG 4.46Å; T285-W287 PolarHBondContact O-N 3.04Å; W287-T289 PolarHBondContact O-N 3.12Å; W287-T289 PolarHBondContact O-OG1 3.26Å
288	V	33	Very low	33	Very low	119 Å²	119	131.6 Å²	131.6	72%	0.721	66%	0.655	S	S	*	*			trans	-68.9	75.5	156.1	165.9	0	0	0	0	104.9	I286 E290	I286-V288 HydrophobicContact CG2-CB 3.9Å; I286-V288 HydrophobicContact CG2-CG2 3.17Å; I286-V288 PolarHBondContact O-N 2.81Å; V288-E290 PolarHBondContact O-N 2.66Å; V288-E290 VanDerWaalsContact O-N 3.11Å
289	T	33.3	Very low	33.6	Very low	73 Å²	73	128.7 Å²	128.7	45%	0.448	64%	0.641	S	S	.	*			trans	24.7	79.1	145.4	-26.8	0	0	0	0	113.4	W287 K291 T292	W287-T289 PolarHBondContact O-N 3.12Å; W287-T289 PolarHBondContact O-OG1 3.26Å; T289-K291 HydrophobicContact CG2-CB 3.83Å; T289-K291 PolarHBondContact O-N 2.82Å; T289-K291 VanDerWaalsContact O-N 3.09Å; T289-T292 WeakPolarHBondContact CB-OG1 3.33Å; T289-T292 WeakPolarHBondContact CG2-OG1 3.48Å; T289-T292 WeakPolarHBondContact O-CB 3.46Å; T289-T292 PolarHBondContact O-N 3.21Å; T289-T292 PolarHBondContact O-OG1 2.68Å
290	E	42.3	Very low	34.2	Very low	151 Å²	151	121.9 Å²	121.9	71%	0.706	62%	0.622	S	S	*	*	H	α-helix	trans	-52.8	-23.4	162	-167.8	170	-165.8	0	0	111.6	V288 T292 T294	V288-E290 PolarHBondContact O-N 2.66Å; V288-E290 VanDerWaalsContact O-N 3.11Å; E290-T292 PolarHBondContact O-N 3.37Å; E290-T294 PolarHBondContact O-N 2.83Å; E290-T294 PolarHBondContact O-OG1 2.71Å
291	K	35.2	Very low	34.8	Very low	165 Å²	165	119.1 Å²	119.1	72%	0.717	60%	0.604	S	S	*	*	H	α-helix	trans	-62.8	-33.1	167.8	-82.9	-173.4	177.8	179.3	0	114	T289 T294 T295	T289-K291 HydrophobicContact CG2-CB 3.83Å; T289-K291 PolarHBondContact O-N 2.82Å; T289-K291 VanDerWaalsContact O-N 3.09Å; K291-T294 VanDerWaalsContact CA-OG1 3.28Å; K291-T294 WeakPolarHBondContact CA-OG1 3.36Å; K291-T294 PolarHBondContact O-OG1 2.77Å; K291-T295 WeakPolarHBondContact O-CB 3.42Å; K291-T295 PolarHBondContact O-N 2.86Å; K291-T295 PolarHBondContact O-OG1 2.74Å
292	T	37.8	Very low	35.1	Very low	68 Å²	68	121.2 Å²	121.2	42%	0.417	60%	0.603	S	S	.	*	H	α-helix	trans	-76	-35.5	-179.8	-42.9	0	0	0	0	111	T289 E290 K296	T289-T292 WeakPolarHBondContact CB-OG1 3.33Å; T289-T292 WeakPolarHBondContact CG2-OG1 3.48Å; T289-T292 WeakPolarHBondContact O-CB 3.46Å; T289-T292 PolarHBondContact O-N 3.21Å; T289-T292 PolarHBondContact O-OG1 2.68Å; E290-T292 PolarHBondContact O-N 3.37Å; T292-K296 WeakPolarHBondContact O-CB 3.25Å; T292-K296 PolarHBondContact O-N 2.74Å
293	L	35.1	Very low	35.9	Very low	91 Å²	91	117.9 Å²	117.9	48%	0.476	59%	0.59	S	S	.	*	H	α-helix	trans	-68.5	-46.1	173.8	-158.2	76.9	0	0	0	111.1	E34 T295 K296 V297	E34-L293 HydrophobicContact CG-CD1 4.3Å; L293-T295 VanDerWaalsContact C-N 3.32Å; L293-T295 PolarHBondContact O-N 3.27Å; L293-K296 PolarHBondContact O-N 3.04Å; L293-V297 HydrophobicContact CG-CG2 4.34Å; L293-V297 VanDerWaalsContact O-CB 3.32Å; L293-V297 WeakPolarHBondContact O-CB 3.49Å; L293-V297 WeakPolarHBondContact O-CG2 3.21Å; L293-V297 PolarHBondContact O-N 2.86Å
294	T	37.1	Very low	36.3	Very low	74 Å²	74	114.7 Å²	114.7	45%	0.454	57%	0.572	S	S	.	*	H	α-helix	trans	-64.6	-32.8	177.7	43.6	0	0	0	0	113.6	E290 K291 K298	E290-T294 PolarHBondContact O-N 2.83Å; E290-T294 PolarHBondContact O-OG1 2.71Å; K291-T294 VanDerWaalsContact CA-OG1 3.28Å; K291-T294 WeakPolarHBondContact CA-OG1 3.36Å; K291-T294 PolarHBondContact O-OG1 2.77Å; T294-K298 WeakPolarHBondContact O-CB 3Å; T294-K298 WeakPolarHBondContact O-CG 3.47Å; T294-K298 PolarHBondContact O-N 2.8Å
295	T	37.2	Very low	37	Very low	88 Å²	88	117.5 Å²	117.5	54%	0.54	58%	0.575	S	S	.	*	H	α-helix	trans	-75.2	-46.6	177.2	-46.4	0	0	0	0	111	K291 L293 V297 K298 E299	K291-T295 WeakPolarHBondContact O-CB 3.42Å; K291-T295 PolarHBondContact O-N 2.86Å; K291-T295 PolarHBondContact O-OG1 2.74Å; L293-T295 VanDerWaalsContact C-N 3.32Å; L293-T295 PolarHBondContact O-N 3.27Å; T295-V297 PolarHBondContact O-N 2.79Å; T295-K298 PolarHBondContact O-N 3.24Å; T295-E299 WeakPolarHBondContact O-CB 3.34Å; T295-E299 PolarHBondContact O-N 3.33Å
296	K	36.9	Very low	37.6	Very low	136 Å²	136	116.2 Å²	116.2	59%	0.591	57%	0.57	S	S	*	*	H	α-helix	trans	-64.9	-38.7	176.9	-75.9	-172.7	176.2	-176.2	0	112.4	T292 L293 E299 V300	T292-K296 WeakPolarHBondContact O-CB 3.25Å; T292-K296 PolarHBondContact O-N 2.74Å; L293-K296 PolarHBondContact O-N 3.04Å; K296-E299 PolarHBondContact O-N 3.38Å; K296-V300 VanDerWaalsContact O-CB 3.32Å; K296-V300 WeakPolarHBondContact O-CB 3.12Å; K296-V300 WeakPolarHBondContact O-CG2 3.22Å; K296-V300 PolarHBondContact O-N 2.67Å
297	V	39.6	Very low	38.4	Very low	47 Å²	47	113.3 Å²	113.3	29%	0.285	56%	0.556	S	S	.	*	H	α-helix	trans	-67.9	-38	177.6	174.4	0	0	0	0	111.5	L293 T295 E299 V300 E301	L293-V297 HydrophobicContact CG-CG2 4.34Å; L293-V297 VanDerWaalsContact O-CB 3.32Å; L293-V297 WeakPolarHBondContact O-CB 3.49Å; L293-V297 WeakPolarHBondContact O-CG2 3.21Å; L293-V297 PolarHBondContact O-N 2.86Å; T295-V297 PolarHBondContact O-N 2.79Å; V297-E299 VanDerWaalsContact C-N 3.35Å; V297-V300 PolarHBondContact O-N 2.93Å; V297-E301 VanDerWaalsContact O-CB 3.23Å; V297-E301 WeakPolarHBondContact O-CB 3.23Å; V297-E301 PolarHBondContact O-N 2.93Å
298	K	37.4	Very low	39.3	Very low	155 Å²	155	108.5 Å²	108.5	67%	0.674	55%	0.545	S	S	*	.	H	α-helix	trans	-65.8	-38.3	173.7	-79	-179.7	179.7	-179.7	0	112.3	T294 T295 K302	T294-K298 WeakPolarHBondContact O-CB 3Å; T294-K298 WeakPolarHBondContact O-CG 3.47Å; T294-K298 PolarHBondContact O-N 2.8Å; T295-K298 PolarHBondContact O-N 3.24Å; K298-K302 WeakPolarHBondContact O-CB 3.38Å; K298-K302 PolarHBondContact O-N 2.75Å
299	E	43.1	Very low	40.2	Very low	129 Å²	129	106.3 Å²	106.3	60%	0.603	53%	0.534	S	S	*	.	H	α-helix	trans	-68.4	-43.2	177.3	-147.7	167.3	-156.2	0	0	110.8	T295 K296 V297 K302 Q303	T295-E299 WeakPolarHBondContact O-CB 3.34Å; T295-E299 PolarHBondContact O-N 3.33Å; K296-E299 PolarHBondContact O-N 3.38Å; V297-E299 VanDerWaalsContact C-N 3.35Å; E299-K302 PolarHBondContact O-N 3.36Å; E299-Q303 WeakPolarHBondContact O-CB 3.41Å; E299-Q303 PolarHBondContact O-N 3.44Å
300	V	43.5	Very low	40.9	Very low	64 Å²	64	107.4 Å²	107.4	39%	0.388	54%	0.537	S	S	.	.	H	α-helix	trans	-66.7	-40.3	175.2	172.9	0	0	0	0	111.8	K296 V297 Q303 K304	K296-V300 VanDerWaalsContact O-CB 3.32Å; K296-V300 WeakPolarHBondContact O-CB 3.12Å; K296-V300 WeakPolarHBondContact O-CG2 3.22Å; K296-V300 PolarHBondContact O-N 2.67Å; V297-V300 PolarHBondContact O-N 2.93Å; V300-Q303 CarbonylContact O-C 3.41Å; V300-Q303 PolarHBondContact O-N 2.84Å; V300-K304 WeakPolarHBondContact O-CB 3.45Å; V300-K304 PolarHBondContact O-N 2.79Å
301	E	39.7	Very low	41.4	Very low	113 Å²	113	107 Å²	107	53%	0.528	53%	0.53	S	S	.	.	H	α-helix	trans	-69.7	-36.2	179.1	-161.7	169	-147.7	0	0	111.3	V297 K305	V297-E301 VanDerWaalsContact O-CB 3.23Å; V297-E301 WeakPolarHBondContact O-CB 3.23Å; V297-E301 PolarHBondContact O-N 2.93Å; E301-K305 WeakPolarHBondContact O-CB 3.5Å; E301-K305 PolarHBondContact O-N 3.29Å
302	K	36.9	Very low	42.7	Very low	170 Å²	170	103.6 Å²	103.6	74%	0.739	52%	0.519	S	S	*	.	H	α-helix	trans	-67.8	-39.2	171.5	-163.4	176.9	-177.3	-175.6	0	111.5	K298 E299 S306	K298-K302 WeakPolarHBondContact O-CB 3.38Å; K298-K302 PolarHBondContact O-N 2.75Å; E299-K302 PolarHBondContact O-N 3.36Å; K302-S306 WeakPolarHBondContact O-CB 3.2Å; K302-S306 PolarHBondContact O-N 2.97Å; K302-S306 VanDerWaalsContact O-N 3.13Å
303	Q	42.2	Very low	43.9	Very low	114 Å²	114	105.8 Å²	105.8	53%	0.533	53%	0.527	S	S	.	.	H	α-helix	trans	-68.9	-42	175.9	-171.6	161.8	-6.3	0	0	111.6	E299 V300 K305 S306 D307	E299-Q303 WeakPolarHBondContact O-CB 3.41Å; E299-Q303 PolarHBondContact O-N 3.44Å; V300-Q303 CarbonylContact O-C 3.41Å; V300-Q303 PolarHBondContact O-N 2.84Å; Q303-K305 PolarHBondContact O-N 3.41Å; Q303-S306 CarbonylContact O-C 3.57Å; Q303-S306 WeakPolarHBondContact O-CA 3.28Å; Q303-S306 WeakPolarHBondContact O-CB 3.49Å; Q303-S306 PolarHBondContact O-N 2.66Å; Q303-S306 VanDerWaalsContact O-N 3.11Å; Q303-D307 WeakPolarHBondContact CG-OD2 3.46Å; Q303-D307 WeakPolarHBondContact O-CB 3.35Å; Q303-D307 VanDerWaalsContact O-CG 3.25Å; Q303-D307 PolarHBondContact O-N 3.38Å
304	K	38.2	Very low	45.5	Very low	106 Å²	106	106 Å²	106	46%	0.461	53%	0.528	S	S	.	.	H	α-helix	trans	-65.9	-37.4	178.4	-155.2	166.8	-163.8	162.9	0	111.9	E31 V300 S306 L308	E31-K304 VanDerWaalsContact CD-NZ 3.34Å; E31-K304 IonicContact OE1-NZ 2.6Å; E31-K304 PolarHBondContact OE1-NZ 3.47Å; E31-K304 VanDerWaalsContact OE1-NZ 3.17Å; E31-K304 IonicContact OE2-NZ 2.57Å; E31-K304 PolarHBondContact OE2-NZ 2.78Å; V300-K304 WeakPolarHBondContact O-CB 3.45Å; V300-K304 PolarHBondContact O-N 2.79Å; K304-S306 VanDerWaalsContact C-N 3.34Å; K304-L308 WeakPolarHBondContact O-CB 3.48Å; K304-L308 PolarHBondContact O-N 2.85Å
305	K	41.1	Very low	46.9	Very low	163 Å²	163	106 Å²	106	71%	0.709	53%	0.529	S	S	*	.	H	α-helix	trans	-69.2	-33.5	173.6	-148.9	175.2	-171.1	178.5	0	112	E301 Q303 C309	E301-K305 WeakPolarHBondContact O-CB 3.5Å; E301-K305 PolarHBondContact O-N 3.29Å; Q303-K305 PolarHBondContact O-N 3.41Å; K305-C309 WeakPolarHBondContact O-CB 3.45Å; K305-C309 PolarHBondContact O-N 2.99Å; K305-C309 PolarHBondContact O-SG 2.82Å; K305-C309 VanDerWaalsContact O-SG 3.37Å
306	S	43.2	Very low	48.6	Very low	76 Å²	76	107.1 Å²	107.1	53%	0.531	53%	0.531	S	S	.	.	H	α-helix	trans	-70.9	-47.3	174.1	-172.5	0	0	0	0	111.8	K302 Q303 K304 C309 L310	K302-S306 WeakPolarHBondContact O-CB 3.2Å; K302-S306 PolarHBondContact O-N 2.97Å; K302-S306 VanDerWaalsContact O-N 3.13Å; Q303-S306 CarbonylContact O-C 3.57Å; Q303-S306 WeakPolarHBondContact O-CA 3.28Å; Q303-S306 WeakPolarHBondContact O-CB 3.49Å; Q303-S306 PolarHBondContact O-N 2.66Å; Q303-S306 VanDerWaalsContact O-N 3.11Å; K304-S306 VanDerWaalsContact C-N 3.34Å; S306-C309 PolarHBondContact O-N 3.48Å; S306-L310 WeakPolarHBondContact O-CB 3.31Å; S306-L310 PolarHBondContact O-N 3.02Å
307	D	45.3	Very low	50.3	Low	65 Å²	65	102.1 Å²	102.1	35%	0.348	52%	0.518	S	S	.	.	H	α-helix	trans	-68.1	-41.7	-178.1	-68.5	-15.4	0	0	0	110.6	Q303 C309 L310 Y311	Q303-D307 WeakPolarHBondContact CG-OD2 3.46Å; Q303-D307 WeakPolarHBondContact O-CB 3.35Å; Q303-D307 VanDerWaalsContact O-CG 3.25Å; Q303-D307 PolarHBondContact O-N 3.38Å; D307-C309 VanDerWaalsContact C-N 3.34Å; D307-C309 PolarHBondContact O-N 2.96Å; D307-L310 WeakPolarHBondContact O-CB 3.39Å; D307-L310 PolarHBondContact O-N 3.14Å; D307-L310 VanDerWaalsContact O-N 3.11Å; D307-Y311 WeakPolarHBondContact O-CB 3.44Å; D307-Y311 VanDerWaalsContact O-CD2 3.29Å; D307-Y311 WeakPolarHBondContact O-CD2 3.42Å; D307-Y311 PolarHBondContact O-N 3.3Å
308	L	46.8	Very low	52.2	Low	112 Å²	112	103.4 Å²	103.4	59%	0.586	53%	0.526	S	S	*	.	H	α-helix	trans	-62.5	-39.8	175.4	-166.7	74.7	0	0	0	112.1	K304 Y311 I312	K304-L308 WeakPolarHBondContact O-CB 3.48Å; K304-L308 PolarHBondContact O-N 2.85Å; L308-Y311 PolarHBondContact O-N 3.12Å; L308-I312 HydrophobicContact CG-CD1 4.14Å; L308-I312 WeakPolarHBondContact O-CG1 3.32Å; L308-I312 PolarHBondContact O-N 3.2Å; L308-I312 VanDerWaalsContact O-N 3.09Å
309	C	51.8	Low	54.2	Low	72 Å²	72	98.8 Å²	98.8	49%	0.486	51%	0.513	S	S	.	.	H	α-helix	trans	-62.8	-43.3	172.4	-81.2	0	0	0	0	111.2	K305 S306 D307 I312 L313	K305-C309 WeakPolarHBondContact O-CB 3.45Å; K305-C309 PolarHBondContact O-N 2.99Å; K305-C309 PolarHBondContact O-SG 2.82Å; K305-C309 VanDerWaalsContact O-SG 3.37Å; S306-C309 PolarHBondContact O-N 3.48Å; D307-C309 VanDerWaalsContact C-N 3.34Å; D307-C309 PolarHBondContact O-N 2.96Å; C309-I312 PolarHBondContact O-N 2.89Å; C309-L313 VanDerWaalsContact O-CB 3.25Å; C309-L313 WeakPolarHBondContact O-CB 3.06Å; C309-L313 WeakPolarHBondContact O-CD1 3.43Å; C309-L313 WeakPolarHBondContact O-CG 3.18Å; C309-L313 PolarHBondContact O-N 2.86Å
310	L	49.3	Very low	55.8	Low	96 Å²	96	99.4 Å²	99.4	50%	0.503	51%	0.514	S	S	.	.	H	α-helix	trans	-63.7	-42.3	178.9	-160.9	75.7	0	0	0	111.6	S306 D307 I312 L313 I314	S306-L310 WeakPolarHBondContact O-CB 3.31Å; S306-L310 PolarHBondContact O-N 3.02Å; D307-L310 WeakPolarHBondContact O-CB 3.39Å; D307-L310 PolarHBondContact O-N 3.14Å; D307-L310 VanDerWaalsContact O-N 3.11Å; L310-I312 PolarHBondContact O-N 3.23Å; L310-L313 PolarHBondContact O-N 3.27Å; L310-I314 HydrophobicContact CD1-CD1 4.31Å; L310-I314 HydrophobicContact CD2-CD1 4.2Å; L310-I314 HydrophobicContact CG-CD1 3.73Å; L310-I314 HydrophobicContact CG-CG1 4.4Å; L310-I314 WeakPolarHBondContact O-CB 3.3Å; L310-I314 VanDerWaalsContact O-CG1 3.23Å; L310-I314 WeakPolarHBondContact O-CG1 3.34Å; L310-I314 PolarHBondContact O-N 3.27Å
311	Y	52.7	Low	57.6	Low	143 Å²	143	101 Å²	101	56%	0.561	52%	0.52	S	S	*	.	H	α-helix	trans	-73	-23.5	-179.6	-91.1	-79.9	0	0	0	114.5	H24 D307 L308 P315	H24-Y311 AromaticContact NE2-CE1 3.86Å; D307-Y311 WeakPolarHBondContact O-CB 3.44Å; D307-Y311 VanDerWaalsContact O-CD2 3.29Å; D307-Y311 WeakPolarHBondContact O-CD2 3.42Å; D307-Y311 PolarHBondContact O-N 3.3Å; L308-Y311 PolarHBondContact O-N 3.12Å; Y311-P315 WeakPolarHBondContact O-CD 3.14Å; Y311-P315 WeakPolarHBondContact O-CG 3.4Å
312	I	62.5	Low	59.7	Low	94 Å²	94	101 Å²	101	48%	0.482	52%	0.522	S	S	.	.	H	α-helix	trans	-85	-38.3	172.5	-65	169.3	0	0	0	110.2	L308 C309 L310 L316	L308-I312 HydrophobicContact CG-CD1 4.14Å; L308-I312 WeakPolarHBondContact O-CG1 3.32Å; L308-I312 PolarHBondContact O-N 3.2Å; L308-I312 VanDerWaalsContact O-N 3.09Å; C309-I312 PolarHBondContact O-N 2.89Å; L310-I312 PolarHBondContact O-N 3.23Å; I312-L316 HydrophobicContact CG2-CD1 3.74Å; I312-L316 WeakPolarHBondContact O-CB 3.43Å; I312-L316 WeakPolarHBondContact O-CD1 3.49Å; I312-L316 WeakPolarHBondContact O-CG 3.42Å; I312-L316 PolarHBondContact O-N 2.87Å
313	L	62.2	Low	61.8	Low	114 Å²	114	98.1 Å²	98.1	60%	0.597	51%	0.514	S	S	*	.	H	α-helix	trans	-73.4	-36.1	-177	-71.3	170.2	0	0	0	113.2	C309 L310 G317	C309-L313 VanDerWaalsContact O-CB 3.25Å; C309-L313 WeakPolarHBondContact O-CB 3.06Å; C309-L313 WeakPolarHBondContact O-CD1 3.43Å; C309-L313 WeakPolarHBondContact O-CG 3.18Å; C309-L313 PolarHBondContact O-N 2.86Å; L310-L313 PolarHBondContact O-N 3.27Å; L313-G317 PolarHBondContact O-N 3.06Å
314	I	68.2	Low	63.8	Low	96 Å²	96	95.1 Å²	95.1	49%	0.492	51%	0.505	S	S	.	.	H	α-helix	trans	-64.7	-51.4	179.9	-69.2	169	0	0	0	111.6	L310 L316 G317 V318	L310-I314 HydrophobicContact CD1-CD1 4.31Å; L310-I314 HydrophobicContact CD2-CD1 4.2Å; L310-I314 HydrophobicContact CG-CD1 3.73Å; L310-I314 HydrophobicContact CG-CG1 4.4Å; L310-I314 WeakPolarHBondContact O-CB 3.3Å; L310-I314 VanDerWaalsContact O-CG1 3.23Å; L310-I314 WeakPolarHBondContact O-CG1 3.34Å; L310-I314 PolarHBondContact O-N 3.27Å; I314-L316 PolarHBondContact O-N 3.07Å; I314-G317 PolarHBondContact O-N 2.9Å; I314-V318 HydrophobicContact CG2-CG2 4.26Å; I314-V318 WeakPolarHBondContact O-CB 3.45Å; I314-V318 VanDerWaalsContact O-CG2 3.28Å; I314-V318 WeakPolarHBondContact O-CG2 3.3Å; I314-V318 PolarHBondContact O-N 2.93Å
315	P	67.2	Low	66	Low	74 Å²	74	94.3 Å²	94.3	48%	0.481	51%	0.505	S	S	.	.	H	α-helix	trans	-64.2	-37.6	177.8	-22.5	34.4	0	0	0	112.9	Y311 V318 S319	Y311-P315 WeakPolarHBondContact O-CD 3.14Å; Y311-P315 WeakPolarHBondContact O-CG 3.4Å; P315-V318 PolarHBondContact O-N 2.82Å; P315-S319 WeakPolarHBondContact O-CB 3.26Å; P315-S319 PolarHBondContact O-N 3.37Å
316	L	71.8	Confident	68	Low	110 Å²	110	88.7 Å²	88.7	58%	0.576	49%	0.493	S	S	*	.	H	α-helix	trans	-63.1	-43.9	173.8	-78.4	170.2	0	0	0	111.3	I312 I314 S319 F320	I312-L316 HydrophobicContact CG2-CD1 3.74Å; I312-L316 WeakPolarHBondContact O-CB 3.43Å; I312-L316 WeakPolarHBondContact O-CD1 3.49Å; I312-L316 WeakPolarHBondContact O-CG 3.42Å; I312-L316 PolarHBondContact O-N 2.87Å; I314-L316 PolarHBondContact O-N 3.07Å; L316-S319 PolarHBondContact O-N 3.1Å; L316-F320 VanDerWaalsContact O-CB 3.31Å; L316-F320 WeakPolarHBondContact O-CB 3.38Å; L316-F320 PolarHBondContact O-N 2.9Å
317	G	74.3	Confident	69.8	Low	31 Å²	31	88.7 Å²	88.7	32%	0.32	49%	0.493	S	S	.	.	H	α-helix	trans	-63.4	-46	176.1	0	0	0	0	0	112.4	L313 I314 F320 I321	L313-G317 PolarHBondContact O-N 3.06Å; I314-G317 PolarHBondContact O-N 2.9Å; G317-F320 PolarHBondContact O-N 3.28Å; G317-I321 VanDerWaalsContact O-CG1 3.24Å; G317-I321 WeakPolarHBondContact O-CG1 3.4Å; G317-I321 PolarHBondContact O-N 3.37Å
318	V	78.7	Confident	71.6	Confident	75 Å²	75	91 Å²	91	46%	0.455	50%	0.504	S	S	.	.	H	α-helix	trans	-64.1	-43.1	176.9	172.9	0	0	0	0	110.9	I314 P315 F320 I321 I322	I314-V318 HydrophobicContact CG2-CG2 4.26Å; I314-V318 WeakPolarHBondContact O-CB 3.45Å; I314-V318 VanDerWaalsContact O-CG2 3.28Å; I314-V318 WeakPolarHBondContact O-CG2 3.3Å; I314-V318 PolarHBondContact O-N 2.93Å; P315-V318 PolarHBondContact O-N 2.82Å; V318-F320 VanDerWaalsContact C-N 3.34Å; V318-F320 PolarHBondContact O-N 3.03Å; V318-I321 PolarHBondContact O-N 2.83Å; V318-I322 HydrophobicContact CG1-CD1 3.83Å; V318-I322 HydrophobicContact CG1-CG1 4.46Å; V318-I322 VanDerWaalsContact O-CG1 3.26Å; V318-I322 WeakPolarHBondContact O-CG1 3.26Å; V318-I322 PolarHBondContact O-N 2.68Å
319	S	78.9	Confident	73.2	Confident	58 Å²	58	89.9 Å²	89.9	41%	0.406	50%	0.498	S	S	.	.	H	α-helix	trans	-60.9	-43	175.3	-176.1	0	0	0	0	111.7	P315 L316 I322 L323	P315-S319 WeakPolarHBondContact O-CB 3.26Å; P315-S319 PolarHBondContact O-N 3.37Å; L316-S319 PolarHBondContact O-N 3.1Å; S319-I322 PolarHBondContact O-N 2.96Å; S319-L323 WeakPolarHBondContact O-CB 3.39Å; S319-L323 PolarHBondContact O-N 2.93Å
320	F	76.6	Confident	74.5	Confident	141 Å²	141	88.3 Å²	88.3	62%	0.618	49%	0.493	S	S	*	.	H	α-helix	trans	-64.6	-41.6	176.4	-167.6	-97.4	0	0	0	112.1	L316 G317 V318 L323 C324	L316-F320 VanDerWaalsContact O-CB 3.31Å; L316-F320 WeakPolarHBondContact O-CB 3.38Å; L316-F320 PolarHBondContact O-N 2.9Å; G317-F320 PolarHBondContact O-N 3.28Å; V318-F320 VanDerWaalsContact C-N 3.34Å; V318-F320 PolarHBondContact O-N 3.03Å; F320-L323 PolarHBondContact O-N 2.9Å; F320-C324 VanDerWaalsContact CE1-SG 3.53Å; F320-C324 WeakPolarHBondContact O-CB 3.32Å; F320-C324 PolarHBondContact O-N 2.71Å; F320-C324 PolarHBondContact O-SG 3.05Å
321	I	82	Confident	75.8	Confident	99 Å²	99	88.5 Å²	88.5	51%	0.508	49%	0.494	S	S	.	.	H	α-helix	trans	-62.7	-44.9	175.4	-70.3	165.7	0	0	0	110.7	G317 V318 L323 C324 I325	G317-I321 VanDerWaalsContact O-CG1 3.24Å; G317-I321 WeakPolarHBondContact O-CG1 3.4Å; G317-I321 PolarHBondContact O-N 3.37Å; V318-I321 PolarHBondContact O-N 2.83Å; I321-L323 VanDerWaalsContact C-N 3.33Å; I321-L323 PolarHBondContact O-N 2.94Å; I321-C324 PolarHBondContact O-N 2.92Å; I321-I325 HydrophobicContact CG2-CD1 3.67Å; I321-I325 HydrophobicContact CG2-CG1 4.34Å; I321-I325 WeakPolarHBondContact O-CB 3.44Å; I321-I325 VanDerWaalsContact O-CG1 3.27Å; I321-I325 WeakPolarHBondContact O-CG1 3.22Å; I321-I325 PolarHBondContact O-N 3.27Å
322	I	84.1	Confident	77	Confident	111 Å²	111	88.9 Å²	88.9	57%	0.569	49%	0.494	S	S	*	.	H	α-helix	trans	-61.5	-43	177.5	-68.7	167	0	0	0	110.7	V318 S319 I325 G326	V318-I322 HydrophobicContact CG1-CD1 3.83Å; V318-I322 HydrophobicContact CG1-CG1 4.46Å; V318-I322 VanDerWaalsContact O-CG1 3.26Å; V318-I322 WeakPolarHBondContact O-CG1 3.26Å; V318-I322 PolarHBondContact O-N 2.68Å; S319-I322 PolarHBondContact O-N 2.96Å; I322-I325 PolarHBondContact O-N 2.71Å; I322-G326 PolarHBondContact O-N 3.31Å
323	L	81.4	Confident	77.6	Confident	111 Å²	111	88.8 Å²	88.8	58%	0.581	49%	0.494	S	S	*	.	H	α-helix	trans	-61.2	-46.3	174.5	-91.1	159.6	0	0	0	112	S319 F320 I321 G326 C327	S319-L323 WeakPolarHBondContact O-CB 3.39Å; S319-L323 PolarHBondContact O-N 2.93Å; F320-L323 PolarHBondContact O-N 2.9Å; I321-L323 VanDerWaalsContact C-N 3.33Å; I321-L323 PolarHBondContact O-N 2.94Å; L323-G326 PolarHBondContact O-N 2.99Å; L323-C327 PolarHBondContact O-N 2.85Å; L323-C327 PolarHBondContact O-SG 2.96Å; L323-C327 VanDerWaalsContact O-SG 3.41Å
324	C	82.7	Confident	78	Confident	51 Å²	51	90.4 Å²	90.4	35%	0.345	49%	0.493	S	S	.	.	H	α-helix	trans	-61.5	-44.8	177.7	-75.7	0	0	0	0	112.1	F320 I321 G326 C327 I328	F320-C324 VanDerWaalsContact CE1-SG 3.53Å; F320-C324 WeakPolarHBondContact O-CB 3.32Å; F320-C324 PolarHBondContact O-N 2.71Å; F320-C324 PolarHBondContact O-SG 3.05Å; I321-C324 PolarHBondContact O-N 2.92Å; C324-G326 VanDerWaalsContact C-N 3.34Å; C324-G326 PolarHBondContact O-N 3.04Å; C324-C327 PolarHBondContact O-N 3.15Å; C324-I328 VanDerWaalsContact O-CG1 3.31Å; C324-I328 WeakPolarHBondContact O-CG1 3.4Å; C324-I328 PolarHBondContact O-N 3.09Å
325	I	85.8	Confident	78.3	Confident	88 Å²	88	92.6 Å²	92.6	45%	0.451	50%	0.499	S	S	.	.	H	α-helix	trans	-62	-44	176	-68	168	0	0	0	110.1	I321 I322 C327 I328 I329	I321-I325 HydrophobicContact CG2-CD1 3.67Å; I321-I325 HydrophobicContact CG2-CG1 4.34Å; I321-I325 WeakPolarHBondContact O-CB 3.44Å; I321-I325 VanDerWaalsContact O-CG1 3.27Å; I321-I325 WeakPolarHBondContact O-CG1 3.22Å; I321-I325 PolarHBondContact O-N 3.27Å; I322-I325 PolarHBondContact O-N 2.71Å; I325-C327 VanDerWaalsContact C-N 3.34Å; I325-C327 PolarHBondContact O-N 2.99Å; I325-I328 PolarHBondContact O-N 3.27Å; I325-I329 HydrophobicContact CG2-CD1 3.63Å; I325-I329 HydrophobicContact CG2-CG1 4.33Å; I325-I329 VanDerWaalsContact O-CG1 3.27Å; I325-I329 WeakPolarHBondContact O-CG1 3.3Å; I325-I329 PolarHBondContact O-N 3.23Å
326	G	82.5	Confident	78.3	Confident	45 Å²	45	94.7 Å²	94.7	46%	0.464	50%	0.501	S	S	.	.	H	α-helix	trans	-57.9	-43.9	175.1	0	0	0	0	0	112.9	I322 L323 C324 G330	I322-G326 PolarHBondContact O-N 3.31Å; L323-G326 PolarHBondContact O-N 2.99Å; C324-G326 VanDerWaalsContact C-N 3.34Å; C324-G326 PolarHBondContact O-N 3.04Å; G326-G330 PolarHBondContact O-N 2.66Å
327	C	80.7	Confident	77.8	Confident	77 Å²	77	95 Å²	95	52%	0.52	51%	0.511	S	S	.	.	H	α-helix	trans	-63.8	-44.7	176	-74.5	0	0	0	0	112.3	L323 C324 I325 G330 I331	L323-C327 PolarHBondContact O-N 2.85Å; L323-C327 PolarHBondContact O-SG 2.96Å; L323-C327 VanDerWaalsContact O-SG 3.41Å; C324-C327 PolarHBondContact O-N 3.15Å; I325-C327 VanDerWaalsContact C-N 3.34Å; I325-C327 PolarHBondContact O-N 2.99Å; C327-G330 PolarHBondContact O-N 3Å; C327-I331 VanDerWaalsContact O-CG1 3.29Å; C327-I331 WeakPolarHBondContact O-CG1 3.49Å; C327-I331 PolarHBondContact O-N 2.97Å
328	I	83.5	Confident	76.9	Confident	113 Å²	113	100.5 Å²	100.5	58%	0.579	53%	0.526	S	S	*	.	H	α-helix	trans	-63	-45.6	179	-68.3	167.5	0	0	0	110.6	C324 I325 G330 I331 W332	C324-I328 VanDerWaalsContact O-CG1 3.31Å; C324-I328 WeakPolarHBondContact O-CG1 3.4Å; C324-I328 PolarHBondContact O-N 3.09Å; I325-I328 PolarHBondContact O-N 3.27Å; I328-G330 VanDerWaalsContact C-N 3.32Å; I328-G330 PolarHBondContact O-N 3.21Å; I328-I331 PolarHBondContact O-N 2.88Å; I328-W332 WeakPolarHBondContact O-CB 3.09Å; I328-W332 PolarHBondContact O-N 3.25Å
329	I	80.7	Confident	75.4	Confident	89 Å²	89	106.5 Å²	106.5	46%	0.456	54%	0.54	S	S	.	.	H	α-helix	trans	-62.3	-42.1	176.8	-66.2	168.9	0	0	0	110.3	I325 W332 L333	I325-I329 HydrophobicContact CG2-CD1 3.63Å; I325-I329 HydrophobicContact CG2-CG1 4.33Å; I325-I329 VanDerWaalsContact O-CG1 3.27Å; I325-I329 WeakPolarHBondContact O-CG1 3.3Å; I325-I329 PolarHBondContact O-N 3.23Å; I329-W332 PolarHBondContact O-N 3.36Å; I329-L333 HydrophobicContact CG2-CD1 3.93Å; I329-L333 HydrophobicContact CG2-CG 4.33Å; I329-L333 WeakPolarHBondContact O-CB 3.36Å; I329-L333 WeakPolarHBondContact O-CG 3.32Å; I329-L333 PolarHBondContact O-N 2.72Å
330	G	78	Confident	74.1	Confident	38 Å²	38	109.5 Å²	109.5	39%	0.392	56%	0.559	S	S	.	*	H	α-helix	trans	-60.1	-45.6	176	0	0	0	0	0	113	G326 C327 I328 W332 L333 Y334	G326-G330 PolarHBondContact O-N 2.66Å; C327-G330 PolarHBondContact O-N 3Å; I328-G330 VanDerWaalsContact C-N 3.32Å; I328-G330 PolarHBondContact O-N 3.21Å; G330-W332 VanDerWaalsContact C-N 3.34Å; G330-W332 PolarHBondContact O-N 2.74Å; G330-L333 PolarHBondContact O-N 3.05Å; G330-Y334 WeakPolarHBondContact O-CB 3.32Å; G330-Y334 PolarHBondContact O-N 2.77Å
331	I	77.2	Confident	72.7	Confident	100 Å²	100	114.7 Å²	114.7	51%	0.513	59%	0.591	S	S	.	*	H	α-helix	trans	-63.9	-40.7	176	-68	166	0	0	0	110.8	C327 I328 Y334 K335	C327-I331 VanDerWaalsContact O-CG1 3.29Å; C327-I331 WeakPolarHBondContact O-CG1 3.49Å; C327-I331 PolarHBondContact O-N 2.97Å; I328-I331 PolarHBondContact O-N 2.88Å; I331-Y334 PolarHBondContact O-N 2.62Å; I331-K335 HydrophobicContact CG2-CD 4.48Å; I331-K335 WeakPolarHBondContact O-CG 3.3Å; I331-K335 PolarHBondContact O-N 3.03Å
332	W	78.7	Confident	72.2	Confident	152 Å²	152	115.5 Å²	115.5	58%	0.576	60%	0.596	S	S	*	*	H	α-helix	trans	-66.5	-43.5	179.7	-165.8	78.1	0	0	0	112.1	I328 I329 G330 K335 K336	I328-W332 WeakPolarHBondContact O-CB 3.09Å; I328-W332 PolarHBondContact O-N 3.25Å; I329-W332 PolarHBondContact O-N 3.36Å; G330-W332 VanDerWaalsContact C-N 3.34Å; G330-W332 PolarHBondContact O-N 2.74Å; W332-K335 PolarHBondContact O-N 2.76Å; W332-K336 HydrophobicContact CE3-CD 4.42Å; W332-K336 HydrophobicContact CH2-CD 4.08Å; W332-K336 VanDerWaalsContact CH2-NZ 3.29Å; W332-K336 HydrophobicContact CZ2-CD 4.45Å; W332-K336 HydrophobicContact CZ3-CD 4.04Å; W332-K336 PolarHBondContact O-N 3.46Å
333	L	73.6	Confident	71.6	Confident	92 Å²	92	115.7 Å²	115.7	48%	0.482	60%	0.597	S	S	.	*	H	α-helix	trans	-63.7	-42.1	174	-71.6	173	0	0	0	111.7	I329 G330 K335 K336 C337	I329-L333 HydrophobicContact CG2-CD1 3.93Å; I329-L333 HydrophobicContact CG2-CG 4.33Å; I329-L333 WeakPolarHBondContact O-CB 3.36Å; I329-L333 WeakPolarHBondContact O-CG 3.32Å; I329-L333 PolarHBondContact O-N 2.72Å; G330-L333 PolarHBondContact O-N 3.05Å; L333-K335 VanDerWaalsContact C-N 3.34Å; L333-K335 PolarHBondContact O-N 2.93Å; L333-K336 PolarHBondContact O-N 3.46Å; L333-K336 VanDerWaalsContact O-N 3.16Å; L333-C337 PolarHBondContact O-N 2.98Å
334	Y	71.8	Confident	71.1	Confident	147 Å²	147	115.9 Å²	115.9	58%	0.576	60%	0.598	S	S	*	*	H	α-helix	trans	-59.5	-44	175.5	179.6	-106.3	0	0	0	111.9	G330 I331 K336 C337 K338	G330-Y334 WeakPolarHBondContact O-CB 3.32Å; G330-Y334 PolarHBondContact O-N 2.77Å; I331-Y334 PolarHBondContact O-N 2.62Å; Y334-K336 VanDerWaalsContact C-N 3.34Å; Y334-K336 PolarHBondContact O-N 2.74Å; Y334-C337 PolarHBondContact O-N 2.78Å; Y334-K338 HydrophobicContact CE1-CD 4.42Å; Y334-K338 PolarHBondContact O-N 3.19Å
335	K	74.9	Confident	70.4	Confident	143 Å²	143	119.8 Å²	119.8	62%	0.622	61%	0.613	S	S	*	*	H	α-helix	trans	-64.2	-36	175.4	-76	-177.8	178.1	-178.4	0	112.7	I331 W332 L333 K338	I331-K335 HydrophobicContact CG2-CD 4.48Å; I331-K335 WeakPolarHBondContact O-CG 3.3Å; I331-K335 PolarHBondContact O-N 3.03Å; W332-K335 PolarHBondContact O-N 2.76Å; L333-K335 VanDerWaalsContact C-N 3.34Å; L333-K335 PolarHBondContact O-N 2.93Å; K335-K338 PolarHBondContact O-N 2.9Å
336	K	66.6	Low	69.4	Low	118 Å²	118	121.8 Å²	121.8	51%	0.513	62%	0.623	S	S	.	*	H	α-helix	trans	-68.8	-42.2	176.6	-106.1	-172.9	174.9	-176.2	0	112.5	W332 L333 Y334 K338 R339	W332-K336 HydrophobicContact CE3-CD 4.42Å; W332-K336 HydrophobicContact CH2-CD 4.08Å; W332-K336 VanDerWaalsContact CH2-NZ 3.29Å; W332-K336 HydrophobicContact CZ2-CD 4.45Å; W332-K336 HydrophobicContact CZ3-CD 4.04Å; W332-K336 PolarHBondContact O-N 3.46Å; L333-K336 PolarHBondContact O-N 3.46Å; L333-K336 VanDerWaalsContact O-N 3.16Å; Y334-K336 VanDerWaalsContact C-N 3.34Å; Y334-K336 PolarHBondContact O-N 2.74Å; K336-K338 PolarHBondContact O-N 3.32Å; K336-R339 PolarHBondContact O-N 3.07Å
337	C	60.6	Low	68.5	Low	116 Å²	116	126.9 Å²	126.9	78%	0.784	63%	0.634	S	S	*	*	H	α-helix	trans	-66.7	-20.4	175.3	-72.6	0	0	0	0	113.2	L333 Y334	L333-C337 PolarHBondContact O-N 2.98Å; Y334-C337 PolarHBondContact O-N 2.78Å
338	K	55.3	Low	67.7	Low	147 Å²	147	130.4 Å²	130.4	64%	0.639	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-1.8	177.5	-132.2	-176.6	-173	-173.3	0	114.2	Y334 K335 K336 P340	Y334-K338 HydrophobicContact CE1-CD 4.42Å; Y334-K338 PolarHBondContact O-N 3.19Å; K335-K338 PolarHBondContact O-N 2.9Å; K336-K338 PolarHBondContact O-N 3.32Å; K338-P340 VanDerWaalsContact O-CD 3.3Å; K338-P340 WeakPolarHBondContact O-CD 3.32Å
339	R	48.4	Very low	66.5	Low	200 Å²	200	131.8 Å²	131.8	76%	0.755	65%	0.646	S	S	*	*	S	Bend	trans	-73.4	115.8	169.5	-75.6	-171.7	179.4	-176.8	-1.3	107.6	K336	K336-R339 PolarHBondContact O-N 3.07Å
340	P	51.6	Low	65.3	Low	122 Å²	122	135.3 Å²	135.3	79%	0.792	66%	0.662	S	S	*	*			trans	-60.4	144.9	176.3	26.9	-31.6	0	0	0	109	K338	K338-P340 VanDerWaalsContact O-CD 3.3Å; K338-P340 WeakPolarHBondContact O-CD 3.32Å
341	L	46.6	Very low	64.1	Low	249 Å²	249	144.2 Å²	144.2	100%	1.304	69%	0.687	S	S	*	*			trans	-52.6	0	173.8	-131.3	101.7	0	0	0	111.5

Retrieved 341 of 341 residues in 200.2 ms (Link to these results)

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