A0A077ZC81_TRITR Loading...

palmitoyl-protein hydrolase

AlphaFold DB , UniProt , Accession A0A077ZC81, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 299 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.6	Very low	36.8	Very low	244 Å²	244	137.4 Å²	137.4	100%	1.202	75%	0.754	S	S	*	*				0	124.2	0	-82.6	171.8	167.1	0	0	106.8
2	Q	30.2	Very low	38	Very low	191 Å²	191	131.8 Å²	131.8	89%	0.893	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-67.5	135.8	171.7	-81.7	172.2	-36.5	0	0	108.8
3	P	32.9	Very low	39	Very low	118 Å²	118	133 Å²	133	77%	0.766	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-63.9	142.6	175.3	26	-31	0	0	0	109.8	Q5	P3-Q5 PolarHBondContact O-N 2.96Å; P3-Q5 VanDerWaalsContact O-N 3.13Å
4	A	36.7	Very low	40	Very low	100 Å²	100	137.9 Å²	137.9	83%	0.826	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-55.9	117.8	-179.7	0	0	0	0	0	109.9	N6	A4-N6 PolarHBondContact O-N 3.33Å; A4-N6 VanDerWaalsContact O-N 3.11Å
5	Q	27.9	Very low	41	Very low	187 Å²	187	131.9 Å²	131.9	87%	0.874	70%	0.701	S	S	*	*			trans	-58.7	115.5	169.3	-73.4	-178.7	-29.5	0	0	108	P3	P3-Q5 PolarHBondContact O-N 2.96Å; P3-Q5 VanDerWaalsContact O-N 3.13Å
6	N	35.3	Very low	41.6	Very low	121 Å²	121	126.9 Å²	126.9	65%	0.647	67%	0.674	S	S	*	*			trans	-62.7	122.5	173.8	-130	-6.1	0	0	0	107.2	A4 S8	A4-N6 PolarHBondContact O-N 3.33Å; A4-N6 VanDerWaalsContact O-N 3.11Å; N6-S8 PolarHBondContact O-N 3.46Å; N6-S8 VanDerWaalsContact O-N 3.1Å
7	P	36.7	Very low	42	Very low	104 Å²	104	123.5 Å²	123.5	68%	0.675	66%	0.661	S	S	*	*			trans	-63.7	120	-179.6	24.7	-31	0	0	0	108.3	I9	P7-I9 PolarHBondContact O-N 3.17Å
8	S	34.1	Very low	42.6	Very low	101 Å²	101	119.1 Å²	119.1	71%	0.706	64%	0.641	S	S	*	*			trans	-44.7	110.4	169.5	50.1	0	0	0	0	109	N6 Q10	N6-S8 PolarHBondContact O-N 3.46Å; N6-S8 VanDerWaalsContact O-N 3.1Å; S8-Q10 PolarHBondContact O-N 3.35Å
9	I	45.4	Very low	42.9	Very low	116 Å²	116	116 Å²	116	60%	0.595	62%	0.624	S	S	*	*			trans	-66.8	97.6	-178	-62.2	173.8	0	0	0	107.4	P7 L11 L33	P7-I9 PolarHBondContact O-N 3.17Å; I9-L11 HydrophobicContact CG2-CD2 4.45Å; I9-L11 PolarHBondContact O-N 3.02Å; I9-L11 VanDerWaalsContact O-N 3.16Å; I9-L33 HydrophobicContact CG2-CD2 4.39Å
10	Q	37.8	Very low	43.3	Very low	168 Å²	168	115.7 Å²	115.7	79%	0.785	62%	0.617	S	S	*	*			trans	-76.5	99.4	170.8	-74.3	-174.3	-9.9	0	0	108.7	S8 T12	S8-Q10 PolarHBondContact O-N 3.35Å; Q10-T12 PolarHBondContact O-N 2.64Å
11	L	50.2	Low	43.6	Very low	61 Å²	61	114.6 Å²	114.6	32%	0.319	62%	0.618	S	S	.	*			trans	-63.5	123.9	170.6	-70.2	167	0	0	0	109.4	I9 D15 L33	I9-L11 HydrophobicContact CG2-CD2 4.45Å; I9-L11 PolarHBondContact O-N 3.02Å; I9-L11 VanDerWaalsContact O-N 3.16Å; L11-D15 HydrophobicContact CB-CB 4.5Å; L11-D15 HydrophobicContact CD2-CB 4.05Å; L11-L33 HydrophobicContact CD2-CD1 4.07Å
12	T	51.8	Low	43.8	Very low	71 Å²	71	106.6 Å²	106.6	44%	0.436	59%	0.585	S	S	.	*			trans	-77.6	159.2	177.7	67.8	0	0	0	0	111	Q10 R14 D15 L16	Q10-T12 PolarHBondContact O-N 2.64Å; T12-R14 PolarHBondContact O-N 3.22Å; T12-R14 VanDerWaalsContact O-N 3.07Å; T12-R14 PolarHBondContact OG1-N 2.93Å; T12-D15 WeakPolarHBondContact CB-OD2 3.26Å; T12-D15 PolarHBondContact N-OD2 3.35Å; T12-D15 WeakPolarHBondContact O-CA 3.5Å; T12-D15 WeakPolarHBondContact O-CB 3.28Å; T12-D15 PolarHBondContact O-N 3.42Å; T12-D15 PolarHBondContact OG1-N 3.49Å; T12-D15 VanDerWaalsContact OG1-N 3.15Å; T12-D15 PolarHBondContact OG1-OD2 3.22Å; T12-L16 PolarHBondContact O-N 2.78Å
13	L	50.6	Low	44.4	Very low	147 Å²	147	103.2 Å²	103.2	77%	0.77	58%	0.58	S	S	*	*	H	α-helix	trans	-53.2	-27.8	168.8	-91.7	157.9	0	0	0	112.6	C17	L13-C17 WeakPolarHBondContact O-CB 3.33Å; L13-C17 PolarHBondContact O-N 3.47Å
14	R	52.2	Low	45.1	Very low	202 Å²	202	103.3 Å²	103.3	76%	0.762	58%	0.58	S	S	*	*	H	α-helix	trans	-71.6	-42.1	174	-172.6	-178.9	-179.6	-179.5	0.9	111.6	T12 L16 C17 C18	T12-R14 PolarHBondContact O-N 3.22Å; T12-R14 VanDerWaalsContact O-N 3.07Å; T12-R14 PolarHBondContact OG1-N 2.93Å; R14-L16 VanDerWaalsContact C-N 3.3Å; R14-C17 PolarHBondContact O-N 3.47Å; R14-C18 WeakPolarHBondContact O-CB 3.38Å; R14-C18 PolarHBondContact O-N 2.94Å; R14-C18 PolarHBondContact O-SG 3.02Å
15	D	55.5	Low	45.6	Very low	48 Å²	48	101.2 Å²	101.2	26%	0.257	56%	0.557	S	S	.	*	H	α-helix	trans	-62.7	-40.7	174.5	-57.4	-47.2	0	0	0	110.7	L11 T12 C18 L19	L11-D15 HydrophobicContact CB-CB 4.5Å; L11-D15 HydrophobicContact CD2-CB 4.05Å; T12-D15 WeakPolarHBondContact CB-OD2 3.26Å; T12-D15 PolarHBondContact N-OD2 3.35Å; T12-D15 WeakPolarHBondContact O-CA 3.5Å; T12-D15 WeakPolarHBondContact O-CB 3.28Å; T12-D15 PolarHBondContact O-N 3.42Å; T12-D15 PolarHBondContact OG1-N 3.49Å; T12-D15 VanDerWaalsContact OG1-N 3.15Å; T12-D15 PolarHBondContact OG1-OD2 3.22Å; D15-C18 PolarHBondContact O-N 2.83Å; D15-L19 WeakPolarHBondContact O-CD1 3.32Å; D15-L19 WeakPolarHBondContact O-CG 3.44Å; D15-L19 PolarHBondContact O-N 2.76Å
16	L	51.1	Low	46.3	Very low	52 Å²	52	96.3 Å²	96.3	27%	0.272	54%	0.541	S	S	.	.	H	α-helix	trans	-65.2	-46.8	174	-66.7	168.2	0	0	0	112.2	T12 R14 C18 L19 F20 F212	T12-L16 PolarHBondContact O-N 2.78Å; R14-L16 VanDerWaalsContact C-N 3.3Å; L16-C18 VanDerWaalsContact C-N 3.28Å; L16-C18 PolarHBondContact O-N 3.24Å; L16-L19 WeakPolarHBondContact O-CB 3.47Å; L16-L19 PolarHBondContact O-N 2.95Å; L16-L19 VanDerWaalsContact O-N 3.08Å; L16-F20 HydrophobicContact CB-CD2 4.48Å; L16-F20 HydrophobicContact CD2-CE2 3.97Å; L16-F20 WeakPolarHBondContact O-CD2 3.48Å; L16-F20 PolarHBondContact O-N 2.65Å; L16-F212 HydrophobicContact CD2-CE1 3.78Å; L16-F212 HydrophobicContact CD2-CZ 3.71Å
17	C	48.3	Very low	47.1	Very low	68 Å²	68	95.1 Å²	95.1	46%	0.459	54%	0.542	S	S	.	.	H	α-helix	trans	-61.4	-36.1	175.2	-96.2	0	0	0	0	112.5	L13 R14 L19 F20 C21	L13-C17 WeakPolarHBondContact O-CB 3.33Å; L13-C17 PolarHBondContact O-N 3.47Å; R14-C17 PolarHBondContact O-N 3.47Å; C17-L19 VanDerWaalsContact C-N 3.34Å; C17-F20 PolarHBondContact O-N 3.2Å; C17-C21 WeakPolarHBondContact O-CB 3.47Å; C17-C21 PolarHBondContact O-N 3.02Å
18	C	51.8	Low	47.9	Very low	44 Å²	44	93 Å²	93	30%	0.297	53%	0.53	S	S	.	.	H	α-helix	trans	-68.8	-29.8	173.9	-73.1	0	0	0	0	113.1	R14 D15 L16 V25 I29	R14-C18 WeakPolarHBondContact O-CB 3.38Å; R14-C18 PolarHBondContact O-N 2.94Å; R14-C18 PolarHBondContact O-SG 3.02Å; D15-C18 PolarHBondContact O-N 2.83Å; L16-C18 VanDerWaalsContact C-N 3.28Å; L16-C18 PolarHBondContact O-N 3.24Å; C18-V25 WeakPolarHBondContact O-CG2 3.48Å; C18-I29 HydrophobicContact CB-CD1 4.18Å
19	L	49	Very low	48.8	Very low	61 Å²	61	91 Å²	91	32%	0.319	51%	0.511	S	S	.	.	H	α-helix	trans	-73.1	-35.3	173.4	-83	154.2	0	0	0	112.9	D15 L16 C17 F212	D15-L19 WeakPolarHBondContact O-CD1 3.32Å; D15-L19 WeakPolarHBondContact O-CG 3.44Å; D15-L19 PolarHBondContact O-N 2.76Å; L16-L19 WeakPolarHBondContact O-CB 3.47Å; L16-L19 PolarHBondContact O-N 2.95Å; L16-L19 VanDerWaalsContact O-N 3.08Å; C17-L19 VanDerWaalsContact C-N 3.34Å; L19-F212 HydrophobicContact CD1-CE2 4.43Å; L19-F212 HydrophobicContact CD1-CZ 4.26Å
20	F	50.7	Low	49.3	Very low	109 Å²	109	88 Å²	88	48%	0.478	50%	0.498	S	S	.	.	H	α-helix	trans	-117.6	-26.4	-164.1	-65.1	-64.9	0	0	0	116.8	L16 C17 F212	L16-F20 HydrophobicContact CB-CD2 4.48Å; L16-F20 HydrophobicContact CD2-CE2 3.97Å; L16-F20 WeakPolarHBondContact O-CD2 3.48Å; L16-F20 PolarHBondContact O-N 2.65Å; C17-F20 PolarHBondContact O-N 3.2Å; F20-F212 AromaticContact CE2-CE1 3.88Å; F20-F212 HydrophobicContact CE2-CE1 3.88Å; F20-F212 HydrophobicContact CE2-CE2 4.04Å; F20-F212 AromaticContact CE2-CZ 3.41Å; F20-F212 HydrophobicContact CE2-CZ 3.41Å; F20-F212 VanDerWaalsContact CE2-CZ 3.41Å; F20-F212 HydrophobicContact CZ-CD1 4.4Å; F20-F212 HydrophobicContact CZ-CD2 4.15Å; F20-F212 AromaticContact CZ-CE1 3.8Å; F20-F212 HydrophobicContact CZ-CE1 3.8Å; F20-F212 AromaticContact CZ-CE2 3.5Å; F20-F212 HydrophobicContact CZ-CE2 3.5Å; F20-F212 AromaticContact CZ-CZ 3.31Å; F20-F212 HydrophobicContact CZ-CZ 3.31Å
21	C	50	Low	50.3	Low	94 Å²	94	80.8 Å²	80.8	64%	0.635	47%	0.467	S	S	*	.	S	Bend	trans	-109.2	5.8	-166.3	-62.7	0	0	0	0	114.8	C17	C17-C21 WeakPolarHBondContact O-CB 3.47Å; C17-C21 PolarHBondContact O-N 3.02Å
22	C	41.8	Very low	50.7	Low	75 Å²	75	85.7 Å²	85.7	51%	0.507	49%	0.486	S	S	.	.	S	Bend	trans	-135.8	134.8	178	-74.1	0	0	0	0	110.5	V25	C22-V25 HydrophobicContact CB-CG2 3.32Å
23	P	42.7	Very low	51.5	Low	121 Å²	121	86 Å²	86	79%	0.786	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	152.4	178.9	28.7	-34.9	0	0	0	110.6	V25	P23-V25 PolarHBondContact O-N 3.04Å
24	P	48.2	Very low	53	Low	120 Å²	120	79.9 Å²	79.9	78%	0.779	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	102.3	-130.4	31.8	-33	0	0	0	111.4
25	V	46.1	Very low	54.8	Low	55 Å²	55	70.7 Å²	70.7	33%	0.333	42%	0.421	S	S	.	.			trans	-62.1	144.3	176.1	176.1	0	0	0	0	108.3	C18 C22 P23 I29	C18-V25 WeakPolarHBondContact O-CG2 3.48Å; C22-V25 HydrophobicContact CB-CG2 3.32Å; P23-V25 PolarHBondContact O-N 3.04Å; V25-I29 HydrophobicContact CG1-CD1 4.5Å
26	P	43.3	Very low	56.6	Low	84 Å²	84	72.6 Å²	72.6	55%	0.545	43%	0.429	S	S	.	.			trans	-64.4	147.7	-154.7	-16.1	28.5	0	0	0	110.5	S28 I29	P26-S28 PolarHBondContact O-N 3.3Å; P26-I29 PolarHBondContact O-N 2.47Å
27	S	52.2	Low	58.6	Low	96 Å²	96	72.6 Å²	72.6	67%	0.671	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.6	-9.6	169.2	54	0	0	0	0	116.2	A31	S27-A31 WeakPolarHBondContact O-CA 3.04Å; S27-A31 WeakPolarHBondContact O-CB 3.31Å; S27-A31 PolarHBondContact O-N 3.15Å
28	S	53	Low	60.7	Low	60 Å²	60	71 Å²	71	42%	0.42	42%	0.421	S	S	.	.	H	α-helix	trans	-69.4	-37.1	-177.6	63.9	0	0	0	0	115.4	P26 K32	P26-S28 PolarHBondContact O-N 3.3Å; S28-K32 WeakPolarHBondContact O-CB 3.33Å; S28-K32 VanDerWaalsContact O-CG 3.26Å; S28-K32 WeakPolarHBondContact O-CG 3.24Å; S28-K32 PolarHBondContact O-N 2.82Å
29	I	53.3	Low	62.7	Low	58 Å²	58	73.8 Å²	73.8	30%	0.297	44%	0.441	S	S	.	.	H	α-helix	trans	-74.3	-48.9	179.1	-62.4	174.9	0	0	0	109.8	C18 V25 P26 A31 K32 L33	C18-I29 HydrophobicContact CB-CD1 4.18Å; V25-I29 HydrophobicContact CG1-CD1 4.5Å; P26-I29 PolarHBondContact O-N 2.47Å; I29-A31 VanDerWaalsContact C-N 3.27Å; I29-A31 PolarHBondContact O-N 3.39Å; I29-K32 PolarHBondContact O-N 3Å; I29-K32 VanDerWaalsContact O-N 3.08Å; I29-L33 HydrophobicContact CG2-CD1 4.11Å; I29-L33 WeakPolarHBondContact O-CG 3.26Å; I29-L33 PolarHBondContact O-N 3.03Å
30	V	56.9	Low	64.9	Low	55 Å²	55	73.9 Å²	73.9	33%	0.333	45%	0.445	S	S	.	.	H	α-helix	trans	-58.5	-42.6	173.5	179.4	0	0	0	0	110.2	K32 L33 A34 A223 F224	V30-K32 PolarHBondContact O-N 3.49Å; V30-L33 PolarHBondContact O-N 3.15Å; V30-A34 WeakPolarHBondContact O-CB 3.49Å; V30-A34 PolarHBondContact O-N 3.38Å; V30-A223 HydrophobicContact CG1-CB 3.91Å; V30-F224 HydrophobicContact CG1-CE2 4.48Å
31	A	58.5	Low	67.1	Low	16 Å²	16	69.8 Å²	69.8	13%	0.132	43%	0.429	C	S	.	.	H	α-helix	trans	-63.3	-39.8	174.5	0	0	0	0	0	112.5	S27 I29 L33 A34 F35	S27-A31 WeakPolarHBondContact O-CA 3.04Å; S27-A31 WeakPolarHBondContact O-CB 3.31Å; S27-A31 PolarHBondContact O-N 3.15Å; I29-A31 VanDerWaalsContact C-N 3.27Å; I29-A31 PolarHBondContact O-N 3.39Å; A31-L33 VanDerWaalsContact C-N 3.34Å; A31-A34 PolarHBondContact O-N 3.17Å; A31-F35 HydrophobicContact CB-CD2 3.85Å; A31-F35 HydrophobicContact CB-CE2 4.27Å; A31-F35 WeakPolarHBondContact O-CA 3.29Å; A31-F35 WeakPolarHBondContact O-CB 3.5Å; A31-F35 VanDerWaalsContact O-CD2 3.25Å; A31-F35 WeakPolarHBondContact O-CD2 3.47Å; A31-F35 PolarHBondContact O-N 2.92Å
32	K	58.6	Low	69.3	Low	163 Å²	163	65.3 Å²	65.3	71%	0.709	40%	0.399	S	S	*	.	H	α-helix	trans	-66.1	-36.2	176.3	-82.6	179.5	177.1	-171.8	0	112.7	S28 I29 V30	S28-K32 WeakPolarHBondContact O-CB 3.33Å; S28-K32 VanDerWaalsContact O-CG 3.26Å; S28-K32 WeakPolarHBondContact O-CG 3.24Å; S28-K32 PolarHBondContact O-N 2.82Å; I29-K32 PolarHBondContact O-N 3Å; I29-K32 VanDerWaalsContact O-N 3.08Å; V30-K32 PolarHBondContact O-N 3.49Å
33	L	68.9	Low	71.9	Confident	78 Å²	78	64.3 Å²	64.3	41%	0.408	39%	0.391	S	S	.	.	H	α-helix	trans	-76.4	-36	177.5	-67.5	174.2	0	0	0	111.7	I9 L11 I29 V30 A31	I9-L33 HydrophobicContact CG2-CD2 4.39Å; L11-L33 HydrophobicContact CD2-CD1 4.07Å; I29-L33 HydrophobicContact CG2-CD1 4.11Å; I29-L33 WeakPolarHBondContact O-CG 3.26Å; I29-L33 PolarHBondContact O-N 3.03Å; V30-L33 PolarHBondContact O-N 3.15Å; A31-L33 VanDerWaalsContact C-N 3.34Å
34	A	80.1	Confident	74.4	Confident	19 Å²	19	59.4 Å²	59.4	16%	0.157	36%	0.358	C	S	.	.	H	α-helix	trans	-85.4	-24.3	-178.5	0	0	0	0	0	113.8	V30 A31 N110 F224	V30-A34 WeakPolarHBondContact O-CB 3.49Å; V30-A34 PolarHBondContact O-N 3.38Å; A31-A34 PolarHBondContact O-N 3.17Å; A34-N110 PolarHBondContact O-ND2 3.14Å; A34-F224 HydrophobicContact CB-CE2 3.71Å; A34-F224 HydrophobicContact CB-CZ 3.89Å
35	F	91.3	Very high	76.4	Confident	8 Å²	8	56.7 Å²	56.7	4%	0.035	34%	0.339	C	S	.	.			trans	-127.6	115.2	-175.5	-53.8	-67.9	0	0	0	111.5	A31 P37 Y140 P147 L152 I181 F224	A31-F35 HydrophobicContact CB-CD2 3.85Å; A31-F35 HydrophobicContact CB-CE2 4.27Å; A31-F35 WeakPolarHBondContact O-CA 3.29Å; A31-F35 WeakPolarHBondContact O-CB 3.5Å; A31-F35 VanDerWaalsContact O-CD2 3.25Å; A31-F35 WeakPolarHBondContact O-CD2 3.47Å; A31-F35 PolarHBondContact O-N 2.92Å; F35-P37 VanDerWaalsContact C-CD 3.47Å; F35-P37 WeakPolarHBondContact O-CD 3.35Å; F35-Y140 WeakPolarHBondContact CA-OH 3.34Å; F35-Y140 HydrophobicContact CB-CE2 4.35Å; F35-Y140 HydrophobicContact CD1-CE2 4.45Å; F35-P147 HydrophobicContact CB-CB 3.63Å; F35-P147 HydrophobicContact CB-CG 3.63Å; F35-P147 HydrophobicContact CD1-CB 3.98Å; F35-P147 HydrophobicContact CD2-CB 3.74Å; F35-P147 HydrophobicContact CD2-CG 4.25Å; F35-P147 HydrophobicContact CE2-CB 4.39Å; F35-P147 HydrophobicContact CG-CB 3.52Å; F35-P147 HydrophobicContact CG-CG 4.05Å; F35-L152 HydrophobicContact CE1-CD1 3.69Å; F35-L152 HydrophobicContact CE1-CD2 3.95Å; F35-L152 HydrophobicContact CE1-CG 3.95Å; F35-L152 HydrophobicContact CZ-CD1 3.65Å; F35-L152 HydrophobicContact CZ-CD2 4.42Å; F35-L152 HydrophobicContact CZ-CG 3.93Å; F35-I181 HydrophobicContact CE1-CG1 4.05Å; F35-F224 HydrophobicContact CE2-CE1 4.27Å; F35-F224 AromaticContact CE2-CZ 3.85Å; F35-F224 HydrophobicContact CE2-CZ 3.85Å; F35-F224 AromaticContact CZ-CE1 3.79Å; F35-F224 HydrophobicContact CZ-CE1 3.79Å; F35-F224 AromaticContact CZ-CZ 3.65Å; F35-F224 HydrophobicContact CZ-CZ 3.65Å
36	M	92.5	Very high	78.2	Confident	89 Å²	89	57.9 Å²	57.9	44%	0.438	35%	0.348	S	S	.	.			trans	-123	68.5	176.5	-63.7	-172.8	-69	0	0	108.9	N110 A111 Y140	M36-N110 WeakPolarHBondContact CE-ND2 3.24Å; M36-N110 PolarHBondContact N-OD1 2.97Å; M36-A111 VanDerWaalsContact O-CA 3.25Å; M36-A111 WeakPolarHBondContact O-CA 3.49Å; M36-Y140 PolarHBondContact N-OH 3.29Å
37	P	93	Very high	79.8	Confident	51 Å²	51	56.2 Å²	56.2	33%	0.331	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-56	129.7	177.3	23	-32.1	0	0	0	110.3	F35 G139 Y140	F35-P37 VanDerWaalsContact C-CD 3.47Å; F35-P37 WeakPolarHBondContact O-CD 3.35Å; P37-G139 WeakPolarHBondContact CB-O 3.35Å; P37-Y140 HydrophobicContact CB-CD1 3.94Å; P37-Y140 HydrophobicContact CB-CD2 3.73Å; P37-Y140 HydrophobicContact CB-CE1 3.99Å; P37-Y140 HydrophobicContact CB-CE2 3.76Å; P37-Y140 HydrophobicContact CB-CG 3.81Å; P37-Y140 HydrophobicContact CG-CD2 4.47Å; P37-Y140 HydrophobicContact CG-CE2 4.21Å
38	P	92.8	Very high	80.8	Confident	34 Å²	34	53.9 Å²	53.9	22%	0.221	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-69.1	168.3	175.6	31.4	-34.9	0	0	0	110.2	D113	P38-D113 HydrophobicContact CG-CB 4.12Å
39	S	94.2	Very high	81.5	Confident	103 Å²	103	57.2 Å²	57.2	72%	0.72	35%	0.348	S	S	*	.	S	Bend	trans	-59.2	135.7	159.5	-63.5	0	0	0	0	108	T41	S39-T41 WeakPolarHBondContact O-CG2 3.4Å; S39-T41 PolarHBondContact O-N 3.4Å
40	P	95.7	Very high	81.8	Confident	64 Å²	64	59.6 Å²	59.6	42%	0.416	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-51.7	132.2	-179.7	-27.9	35.2	0	0	0	111	L61 D113 G141	P40-L61 WeakPolarHBondContact O-CD1 3.35Å; P40-D113 WeakPolarHBondContact CA-OD2 3.47Å; P40-G141 WeakPolarHBondContact CG-O 3.13Å
41	T	96.2	Very high	82	Confident	22 Å²	22	59.4 Å²	59.4	14%	0.135	37%	0.371	C	S	.	.	S	Bend	trans	-103.3	5.8	-179.3	75.6	0	0	0	0	112.5	S39 L61 T64 D113 G115 Q116	S39-T41 WeakPolarHBondContact O-CG2 3.4Å; S39-T41 PolarHBondContact O-N 3.4Å; T41-L61 WeakPolarHBondContact O-CB 3.48Å; T41-L61 PolarHBondContact O-N 3.38Å; T41-T64 HydrophobicContact CG2-CG2 4.43Å; T41-T64 WeakPolarHBondContact OG1-CG2 3.14Å; T41-D113 PolarHBondContact N-OD2 3.46Å; T41-D113 PolarHBondContact OG1-OD1 3.23Å; T41-D113 PolarHBondContact OG1-OD2 2.91Å; T41-G115 WeakPolarHBondContact OG1-CA 3.18Å; T41-Q116 HydrophobicContact CG2-CG 3.57Å; T41-Q116 PolarHBondContact OG1-N 2.95Å
42	Y	96.5	Very high	81.9	Confident	1 Å²	1	64.8 Å²	64.8	0%	0.004	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	163.5	176.3	75.1	-74.5	0	0	0	110.6	L44 F58 S59 F78 A90 D113 L114 D136 C142	Y42-L44 HydrophobicContact CD2-CD2 4.1Å; Y42-L44 HydrophobicContact CD2-CG 4.05Å; Y42-L44 HydrophobicContact CE2-CD1 3.87Å; Y42-L44 HydrophobicContact CE2-CD2 3.98Å; Y42-L44 HydrophobicContact CE2-CG 3.64Å; Y42-F58 VanDerWaalsContact CB-CE2 3.43Å; Y42-F58 AromaticContact CD2-CD2 3.63Å; Y42-F58 HydrophobicContact CD2-CD2 3.63Å; Y42-F58 AromaticContact CD2-CE2 3.45Å; Y42-F58 HydrophobicContact CD2-CE2 3.45Å; Y42-F58 VanDerWaalsContact CD2-CE2 3.45Å; Y42-F58 HydrophobicContact CE2-CD2 4.47Å; Y42-F58 HydrophobicContact CE2-CE2 4.38Å; Y42-F58 HydrophobicContact CG-CD2 4.25Å; Y42-F58 AromaticContact CG-CE2 3.64Å; Y42-F58 HydrophobicContact CG-CE2 3.64Å; Y42-S59 CarbonylContact C-O 3.57Å; Y42-S59 VanDerWaalsContact CA-O 3.26Å; Y42-S59 WeakPolarHBondContact CA-O 3.4Å; Y42-F78 HydrophobicContact CD2-CE1 4.41Å; Y42-F78 HydrophobicContact CE2-CD1 4.41Å; Y42-F78 HydrophobicContact CE2-CE1 4.07Å; Y42-A90 WeakPolarHBondContact OH-CB 3.44Å; Y42-D113 HydrophobicContact CE1-CB 4.36Å; Y42-L114 HydrophobicContact CD1-CB 4.45Å; Y42-L114 HydrophobicContact CE1-CB 3.84Å; Y42-D136 VanDerWaalsContact CE1-OD2 3.26Å; Y42-D136 WeakPolarHBondContact CE1-OD2 3.22Å; Y42-D136 PolarHBondContact OH-OD2 2.81Å; Y42-C142 HydrophobicContact CE2-CB 4.15Å; Y42-C142 WeakPolarHBondContact OH-CB 3.46Å; Y42-C142 PolarHBondContact OH-N 3.13Å
43	T	95.7	Very high	82	Confident	54 Å²	54	63.9 Å²	63.9	33%	0.331	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	152.3	173.2	60.3	0	0	0	0	110.8	S59 L61	T43-S59 PolarHBondContact N-O 2.8Å; T43-S59 PolarHBondContact O-N 3.46Å; T43-S59 VanDerWaalsContact O-N 3.15Å; T43-L61 HydrophobicContact CG2-CD1 4.01Å; T43-L61 HydrophobicContact CG2-CD2 3.98Å; T43-L61 HydrophobicContact CG2-CG 4.23Å
44	L	94.6	Very high	82	Confident	18 Å²	18	61.3 Å²	61.3	9%	0.094	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	117.1	172.6	-62.2	178.6	0	0	0	110	Y42 L56 E57 F58 F78 Y80 A90 C142	Y42-L44 HydrophobicContact CD2-CD2 4.1Å; Y42-L44 HydrophobicContact CD2-CG 4.05Å; Y42-L44 HydrophobicContact CE2-CD1 3.87Å; Y42-L44 HydrophobicContact CE2-CD2 3.98Å; Y42-L44 HydrophobicContact CE2-CG 3.64Å; L44-L56 HydrophobicContact CB-CD1 4.46Å; L44-L56 HydrophobicContact CD1-CD1 4.08Å; L44-L56 HydrophobicContact CD2-CB 4.47Å; L44-E57 WeakPolarHBondContact CA-O 3.31Å; L44-F58 HydrophobicContact CD2-CB 4.12Å; L44-F58 HydrophobicContact CD2-CD2 3.96Å; L44-F78 HydrophobicContact CD1-CB 4.23Å; L44-F78 HydrophobicContact CD1-CD1 4.04Å; L44-F78 HydrophobicContact CD1-CG 4.45Å; L44-F78 HydrophobicContact CD2-CB 3.65Å; L44-F78 HydrophobicContact CD2-CD1 3.62Å; L44-F78 HydrophobicContact CD2-CD2 4.15Å; L44-F78 HydrophobicContact CD2-CE1 4.27Å; L44-F78 HydrophobicContact CD2-CG 3.53Å; L44-F78 HydrophobicContact CG-CD1 4.42Å; L44-Y80 HydrophobicContact CD1-CE1 4.15Å; L44-A90 HydrophobicContact CD1-CB 4.12Å; L44-C142 HydrophobicContact CD1-CB 4.18Å; L44-C142 HydrophobicContact CG-CB 4.46Å
45	T	90.9	Very high	82.1	Confident	62 Å²	62	66.9 Å²	66.9	38%	0.38	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	139	176.4	47.1	0	0	0	0	110.4	A47 L56 E57	T45-A47 PolarHBondContact O-N 2.73Å; T45-L56 CarbonylContact O-C 3.55Å; T45-L56 WeakPolarHBondContact O-CA 3.37Å; T45-E57 PolarHBondContact N-O 3.09Å; T45-E57 PolarHBondContact O-N 3.29Å
46	P	83.8	Confident	82	Confident	80 Å²	80	67.5 Å²	67.5	52%	0.519	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	128.3	170.5	-20.2	32.2	0	0	0	110.5	S48	P46-S48 PolarHBondContact O-N 3.06Å
47	A	77.8	Confident	81.9	Confident	49 Å²	49	68.2 Å²	68.2	41%	0.405	42%	0.419	S	S	.	.	S	Bend	trans	-61.2	-24.6	177.7	0	0	0	0	0	113	T45 R55 E57	T45-A47 PolarHBondContact O-N 2.73Å; A47-R55 WeakPolarHBondContact CB-O 3.17Å; A47-R55 PolarHBondContact N-O 3.46Å; A47-E57 HydrophobicContact CB-CG 3.86Å
48	S	73	Confident	81.8	Confident	47 Å²	47	67.4 Å²	67.4	33%	0.329	41%	0.41	S	S	.	.			trans	-145.2	136.8	170	66.1	0	0	0	0	110.8	P46 S50 S54	P46-S48 PolarHBondContact O-N 3.06Å; S48-S50 PolarHBondContact O-N 3.29Å; S48-S54 PolarHBondContact O-OG 2.94Å
49	S	67	Low	81.7	Confident	130 Å²	130	68.7 Å²	68.7	91%	0.909	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-13.2	176.8	55.3	0	0	0	0	113.3
50	S	60.4	Low	81.7	Confident	108 Å²	108	65.9 Å²	65.9	76%	0.755	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-5.7	-169.4	44.1	0	0	0	0	115.2	S48	S48-S50 PolarHBondContact O-N 3.29Å
51	S	60.2	Low	81.5	Confident	51 Å²	51	66.4 Å²	66.4	36%	0.357	40%	0.395	S	S	.	.			trans	-133.7	125.8	176.1	-177.6	0	0	0	0	112.6	N53 S54	S51-N53 PolarHBondContact O-N 3.41Å; S51-N53 PolarHBondContact OG-N 3.38Å; S51-S54 VanDerWaalsContact O-CB 3.29Å; S51-S54 WeakPolarHBondContact O-CB 3.4Å; S51-S54 PolarHBondContact O-N 3.01Å; S51-S54 PolarHBondContact O-OG 3.02Å
52	P	57.3	Low	80.3	Confident	129 Å²	129	72.6 Å²	72.6	84%	0.838	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-17.1	174.2	26.1	-32.5	0	0	0	113
53	N	60.9	Low	78.9	Confident	145 Å²	145	84.4 Å²	84.4	78%	0.775	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	15	174.8	-67.9	-18.9	0	0	0	112.4	S51	S51-N53 PolarHBondContact O-N 3.41Å; S51-N53 PolarHBondContact OG-N 3.38Å
54	S	67.2	Low	78.1	Confident	23 Å²	23	83.2 Å²	83.2	16%	0.161	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-58	141.9	174.8	55.5	0	0	0	0	110.2	S48 S51 L56	S48-S54 PolarHBondContact O-OG 2.94Å; S51-S54 VanDerWaalsContact O-CB 3.29Å; S51-S54 WeakPolarHBondContact O-CB 3.4Å; S51-S54 PolarHBondContact O-N 3.01Å; S51-S54 PolarHBondContact O-OG 3.02Å; S54-L56 PolarHBondContact O-N 2.82Å
55	R	82.5	Confident	77.6	Confident	137 Å²	137	90.3 Å²	90.3	52%	0.517	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-56.7	136.4	172.4	-174	177.4	-179.3	-175.6	0.1	108.5	A47 K74	A47-R55 WeakPolarHBondContact CB-O 3.17Å; A47-R55 PolarHBondContact N-O 3.46Å; R55-K74 PolarHBondContact NH2-O 3.15Å
56	L	90.3	Very high	77.7	Confident	21 Å²	21	89.2 Å²	89.2	11%	0.11	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	124.9	171.9	-61.5	177.4	0	0	0	108.6	L44 T45 S54 F78 Y80	L44-L56 HydrophobicContact CB-CD1 4.46Å; L44-L56 HydrophobicContact CD1-CD1 4.08Å; L44-L56 HydrophobicContact CD2-CB 4.47Å; T45-L56 CarbonylContact O-C 3.55Å; T45-L56 WeakPolarHBondContact O-CA 3.37Å; S54-L56 PolarHBondContact O-N 2.82Å; L56-F78 HydrophobicContact CB-CB 4.14Å; L56-F78 HydrophobicContact CD1-CB 4.41Å; L56-Y80 HydrophobicContact CD1-CD2 3.55Å; L56-Y80 HydrophobicContact CD1-CE2 3.55Å; L56-Y80 HydrophobicContact CD1-CG 4.32Å; L56-Y80 HydrophobicContact CD2-CD2 4.46Å; L56-Y80 HydrophobicContact CD2-CE2 4.14Å
57	E	89.2	Confident	78.2	Confident	104 Å²	104	90 Å²	90	49%	0.486	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	128.7	167.6	-68.3	-178.9	168.6	0	0	108.7	L44 T45 A47	L44-E57 WeakPolarHBondContact CA-O 3.31Å; T45-E57 PolarHBondContact N-O 3.09Å; T45-E57 PolarHBondContact O-N 3.29Å; A47-E57 HydrophobicContact CB-CG 3.86Å
58	F	90.9	Very high	78.9	Confident	33 Å²	33	90.6 Å²	90.6	15%	0.145	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.8	178.5	170.1	-107.7	0	0	0	109.1	Y42 L44 L60 L73 F78	Y42-F58 VanDerWaalsContact CB-CE2 3.43Å; Y42-F58 AromaticContact CD2-CD2 3.63Å; Y42-F58 HydrophobicContact CD2-CD2 3.63Å; Y42-F58 AromaticContact CD2-CE2 3.45Å; Y42-F58 HydrophobicContact CD2-CE2 3.45Å; Y42-F58 VanDerWaalsContact CD2-CE2 3.45Å; Y42-F58 HydrophobicContact CE2-CD2 4.47Å; Y42-F58 HydrophobicContact CE2-CE2 4.38Å; Y42-F58 HydrophobicContact CG-CD2 4.25Å; Y42-F58 AromaticContact CG-CE2 3.64Å; Y42-F58 HydrophobicContact CG-CE2 3.64Å; L44-F58 HydrophobicContact CD2-CB 4.12Å; L44-F58 HydrophobicContact CD2-CD2 3.96Å; F58-L60 HydrophobicContact CE1-CD1 4.46Å; F58-L60 HydrophobicContact CE1-CD2 3.79Å; F58-L60 HydrophobicContact CE1-CG 3.69Å; F58-L60 HydrophobicContact CE2-CD2 4.22Å; F58-L60 HydrophobicContact CZ-CD2 3.31Å; F58-L60 HydrophobicContact CZ-CG 3.76Å; F58-L73 HydrophobicContact CD1-CD1 4.16Å; F58-L73 HydrophobicContact CD1-CG 4.49Å; F58-L73 HydrophobicContact CE1-CD1 3.68Å; F58-L73 HydrophobicContact CE1-CG 4.42Å; F58-F78 HydrophobicContact CB-CD2 3.55Å; F58-F78 HydrophobicContact CB-CE2 3.52Å; F58-F78 HydrophobicContact CB-CG 4.41Å; F58-F78 HydrophobicContact CB-CZ 4.35Å; F58-F78 AromaticContact CD1-CE2 3.74Å; F58-F78 HydrophobicContact CD1-CE2 3.74Å; F58-F78 HydrophobicContact CD1-CZ 4.22Å; F58-F78 HydrophobicContact CD2-CD1 4.37Å; F58-F78 AromaticContact CD2-CD2 3.9Å; F58-F78 HydrophobicContact CD2-CD2 3.9Å; F58-F78 AromaticContact CD2-CE1 3.77Å; F58-F78 HydrophobicContact CD2-CE1 3.77Å; F58-F78 AromaticContact CD2-CE2 3.23Å; F58-F78 HydrophobicContact CD2-CE2 3.23Å; F58-F78 HydrophobicContact CD2-CG 4.42Å; F58-F78 AromaticContact CD2-CZ 3.16Å; F58-F78 HydrophobicContact CD2-CZ 3.16Å; F58-F78 HydrophobicContact CE1-CE2 4.17Å; F58-F78 HydrophobicContact CE1-CZ 4.25Å; F58-F78 AromaticContact CE2-CE1 3.86Å; F58-F78 HydrophobicContact CE2-CE1 3.86Å; F58-F78 AromaticContact CE2-CE2 3.71Å; F58-F78 HydrophobicContact CE2-CE2 3.71Å; F58-F78 AromaticContact CE2-CZ 3.2Å; F58-F78 HydrophobicContact CE2-CZ 3.2Å; F58-F78 AromaticContact CG-CD2 3.81Å; F58-F78 HydrophobicContact CG-CD2 3.81Å; F58-F78 AromaticContact CG-CE2 3.22Å; F58-F78 HydrophobicContact CG-CE2 3.22Å; F58-F78 AromaticContact CG-CZ 3.69Å; F58-F78 HydrophobicContact CG-CZ 3.69Å; F58-F78 HydrophobicContact CZ-CE2 4.13Å; F58-F78 AromaticContact CZ-CZ 3.76Å; F58-F78 HydrophobicContact CZ-CZ 3.76Å
59	S	92.1	Very high	79.9	Confident	61 Å²	61	91 Å²	91	43%	0.427	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	125	171.8	-66.7	0	0	0	0	109.3	Y42 T43	Y42-S59 CarbonylContact C-O 3.57Å; Y42-S59 VanDerWaalsContact CA-O 3.26Å; Y42-S59 WeakPolarHBondContact CA-O 3.4Å; T43-S59 PolarHBondContact N-O 2.8Å; T43-S59 PolarHBondContact O-N 3.46Å; T43-S59 VanDerWaalsContact O-N 3.15Å
60	L	92.7	Very high	81	Confident	45 Å²	45	90.6 Å²	90.6	24%	0.236	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	138.2	170.3	-77.7	-180	0	0	0	109.8	F58 T64 W66 L73	F58-L60 HydrophobicContact CE1-CD1 4.46Å; F58-L60 HydrophobicContact CE1-CD2 3.79Å; F58-L60 HydrophobicContact CE1-CG 3.69Å; F58-L60 HydrophobicContact CE2-CD2 4.22Å; F58-L60 HydrophobicContact CZ-CD2 3.31Å; F58-L60 HydrophobicContact CZ-CG 3.76Å; L60-T64 VanDerWaalsContact CB-OG1 3.31Å; L60-T64 WeakPolarHBondContact CB-OG1 3.36Å; L60-T64 HydrophobicContact CD2-CG2 4.18Å; L60-T64 WeakPolarHBondContact CD2-OG1 3.43Å; L60-W66 HydrophobicContact CD1-CB 4.04Å; L60-L73 HydrophobicContact CD1-CD1 4.28Å; L60-L73 HydrophobicContact CD1-CD2 4.43Å
61	L	91.6	Very high	82.6	Confident	74 Å²	74	92 Å²	92	39%	0.387	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-95.2	158.4	172.5	-59.1	177.1	0	0	0	110.1	P40 T41 T43 R63 T64	P40-L61 WeakPolarHBondContact O-CD1 3.35Å; T41-L61 WeakPolarHBondContact O-CB 3.48Å; T41-L61 PolarHBondContact O-N 3.38Å; T43-L61 HydrophobicContact CG2-CD1 4.01Å; T43-L61 HydrophobicContact CG2-CD2 3.98Å; T43-L61 HydrophobicContact CG2-CG 4.23Å; L61-R63 PolarHBondContact O-N 3.28Å; L61-T64 PolarHBondContact O-N 3.43Å; L61-T64 PolarHBondContact O-OG1 3.06Å
62	D	71.5	Confident	84.1	Confident	153 Å²	153	91.6 Å²	91.6	82%	0.818	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	132.3	-177.2	-68.9	-23.3	0	0	0	112.1
63	R	68	Low	85.8	Confident	249 Å²	249	86.4 Å²	86.4	94%	0.94	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.3	11.5	-176.7	-57	175.6	-94.9	-160.8	-9.7	117	L61	L61-R63 PolarHBondContact O-N 3.28Å
64	T	77.6	Confident	87.2	Confident	28 Å²	28	86.4 Å²	86.4	17%	0.172	42%	0.415	C	S	.	.			trans	-105.7	131.4	171.7	48.7	0	0	0	0	110.6	T41 L60 L61 Q116	T41-T64 HydrophobicContact CG2-CG2 4.43Å; T41-T64 WeakPolarHBondContact OG1-CG2 3.14Å; L60-T64 VanDerWaalsContact CB-OG1 3.31Å; L60-T64 WeakPolarHBondContact CB-OG1 3.36Å; L60-T64 HydrophobicContact CD2-CG2 4.18Å; L60-T64 WeakPolarHBondContact CD2-OG1 3.43Å; L61-T64 PolarHBondContact O-N 3.43Å; L61-T64 PolarHBondContact O-OG1 3.06Å; T64-Q116 HydrophobicContact CG2-CG 4.28Å
65	E	84	Confident	88.3	Confident	168 Å²	168	89.9 Å²	89.9	79%	0.785	43%	0.429	S	S	*	.			trans	-96.6	128.8	-178.6	-66.5	-176.5	178.7	0	0	110.3	S119	E65-S119 WeakPolarHBondContact O-CB 3.26Å
66	W	93.3	Very high	88.9	Confident	38 Å²	38	83.7 Å²	83.7	14%	0.144	41%	0.406	C	S	.	.			trans	-125.8	95.6	169.5	-177.5	-99.3	0	0	0	108.9	L60 F68 S69 E72 L73 I76 C118 Y122	L60-W66 HydrophobicContact CD1-CB 4.04Å; W66-F68 HydrophobicContact CD2-CB 4.45Å; W66-F68 HydrophobicContact CD2-CD2 4.07Å; W66-F68 AromaticContact CE2-CD2 3.95Å; W66-F68 HydrophobicContact CE3-CD2 4.18Å; W66-F68 HydrophobicContact CH2-CD2 4.09Å; W66-F68 HydrophobicContact CZ2-CB 3.83Å; W66-F68 AromaticContact CZ2-CD2 3.96Å; W66-F68 HydrophobicContact CZ2-CD2 3.96Å; W66-F68 HydrophobicContact CZ2-CG 4.26Å; W66-F68 HydrophobicContact CZ3-CD2 4.2Å; W66-F68 PolarHBondContact NE1-O 2.89Å; W66-F68 PolarHBondContact O-N 3.28Å; W66-S69 PolarHBondContact NE1-O 3.38Å; W66-E72 HydrophobicContact CZ2-CB 3.85Å; W66-L73 HydrophobicContact CD2-CB 4.43Å; W66-L73 HydrophobicContact CD2-CD1 3.68Å; W66-L73 HydrophobicContact CE3-CD1 3.9Å; W66-L73 HydrophobicContact CG-CD1 4.07Å; W66-L73 HydrophobicContact CH2-CD1 4.41Å; W66-L73 HydrophobicContact CZ2-CB 4.14Å; W66-L73 HydrophobicContact CZ2-CD1 4.22Å; W66-L73 HydrophobicContact CZ3-CD1 4.25Å; W66-I76 HydrophobicContact CH2-CD1 3.83Å; W66-I76 HydrophobicContact CZ3-CD1 3.98Å; W66-C118 HydrophobicContact CZ3-CB 4.3Å; W66-Y122 HydrophobicContact CH2-CD1 4.21Å; W66-Y122 HydrophobicContact CH2-CD2 4.19Å; W66-Y122 AromaticContact CH2-CG 3.74Å; W66-Y122 HydrophobicContact CH2-CG 3.74Å; W66-Y122 HydrophobicContact CZ2-CD1 4.46Å; W66-Y122 HydrophobicContact CZ2-CG 4.36Å
67	P	93.7	Very high	89.2	Confident	98 Å²	98	85.7 Å²	85.7	64%	0.636	42%	0.415	S	S	*	.			trans	-81.2	1.4	-176.9	33.9	-35.2	0	0	0	113.3	S119	P67-S119 WeakPolarHBondContact CD-OG 3.47Å
68	F	93.7	Very high	89.5	Confident	61 Å²	61	80.8 Å²	80.8	27%	0.268	39%	0.392	S	S	.	.	S	Bend	trans	-96.8	179	176.4	-47.1	-83.7	0	0	0	110.4	W66 E72 S119 Y122 I126	W66-F68 HydrophobicContact CD2-CB 4.45Å; W66-F68 HydrophobicContact CD2-CD2 4.07Å; W66-F68 AromaticContact CE2-CD2 3.95Å; W66-F68 HydrophobicContact CE3-CD2 4.18Å; W66-F68 HydrophobicContact CH2-CD2 4.09Å; W66-F68 HydrophobicContact CZ2-CB 3.83Å; W66-F68 AromaticContact CZ2-CD2 3.96Å; W66-F68 HydrophobicContact CZ2-CD2 3.96Å; W66-F68 HydrophobicContact CZ2-CG 4.26Å; W66-F68 HydrophobicContact CZ3-CD2 4.2Å; W66-F68 PolarHBondContact NE1-O 2.89Å; W66-F68 PolarHBondContact O-N 3.28Å; F68-E72 HydrophobicContact CB-CB 4.47Å; F68-S119 WeakPolarHBondContact CE2-O 3.38Å; F68-Y122 HydrophobicContact CB-CD1 4.28Å; F68-Y122 HydrophobicContact CB-CE1 4.27Å; F68-Y122 AromaticContact CD1-CD1 3.56Å; F68-Y122 HydrophobicContact CD1-CD1 3.56Å; F68-Y122 AromaticContact CD1-CE1 3.63Å; F68-Y122 HydrophobicContact CD1-CE1 3.63Å; F68-Y122 AromaticContact CD2-CD1 3.58Å; F68-Y122 HydrophobicContact CD2-CD1 3.58Å; F68-Y122 HydrophobicContact CD2-CE1 4.35Å; F68-Y122 HydrophobicContact CD2-CG 4.35Å; F68-Y122 AromaticContact CE1-CD1 3.67Å; F68-Y122 HydrophobicContact CE1-CD1 3.67Å; F68-Y122 HydrophobicContact CE1-CE1 4.01Å; F68-Y122 AromaticContact CE2-CD1 3.7Å; F68-Y122 HydrophobicContact CE2-CD1 3.7Å; F68-Y122 HydrophobicContact CE2-CG 4.4Å; F68-Y122 AromaticContact CG-CD1 3.51Å; F68-Y122 HydrophobicContact CG-CD1 3.51Å; F68-Y122 AromaticContact CG-CE1 3.82Å; F68-Y122 HydrophobicContact CG-CE1 3.82Å; F68-Y122 AromaticContact CZ-CD1 3.75Å; F68-Y122 HydrophobicContact CZ-CD1 3.75Å; F68-I126 HydrophobicContact CE1-CD1 3.97Å
69	S	93.3	Very high	89.7	Confident	56 Å²	56	79.3 Å²	79.3	39%	0.392	39%	0.385	S	S	.	.			trans	-78.6	158	-179.2	94.5	0	0	0	0	112	W66 K71 E72 L73	W66-S69 PolarHBondContact NE1-O 3.38Å; S69-K71 PolarHBondContact O-N 2.97Å; S69-K71 VanDerWaalsContact O-N 3.15Å; S69-K71 WeakPolarHBondContact OG-CB 3.29Å; S69-K71 PolarHBondContact OG-N 2.98Å; S69-K71 VanDerWaalsContact OG-N 3.15Å; S69-E72 VanDerWaalsContact CA-OE2 3.31Å; S69-E72 WeakPolarHBondContact CA-OE2 3.41Å; S69-E72 WeakPolarHBondContact CB-OE2 3.43Å; S69-E72 PolarHBondContact N-OE2 3.02Å; S69-E72 PolarHBondContact O-N 3.36Å; S69-E72 VanDerWaalsContact O-N 3.08Å; S69-E72 VanDerWaalsContact OG-CD 3.26Å; S69-E72 PolarHBondContact OG-OE1 3.5Å; S69-E72 PolarHBondContact OG-OE2 3.17Å; S69-L73 PolarHBondContact O-N 3.45Å; S69-L73 VanDerWaalsContact O-N 3.17Å
70	E	91.4	Very high	90	Very high	120 Å²	120	80 Å²	80	56%	0.561	38%	0.379	S	S	*	.	H	α-helix	trans	-53.7	-28.2	170.5	-78.5	-69.1	158.1	0	0	113.3	L73 K74	E70-L73 PolarHBondContact O-N 3.08Å; E70-K74 WeakPolarHBondContact O-CB 3.43Å; E70-K74 VanDerWaalsContact O-CG 3.29Å; E70-K74 WeakPolarHBondContact O-CG 3.39Å; E70-K74 PolarHBondContact O-N 2.97Å
71	K	92.1	Very high	90.2	Very high	139 Å²	139	78.4 Å²	78.4	60%	0.604	37%	0.372	S	S	*	.	H	α-helix	trans	-65.1	-44.9	177	-177.4	-171.1	173.1	-170.3	0	110.8	S69 K74 Q75	S69-K71 PolarHBondContact O-N 2.97Å; S69-K71 VanDerWaalsContact O-N 3.15Å; S69-K71 WeakPolarHBondContact OG-CB 3.29Å; S69-K71 PolarHBondContact OG-N 2.98Å; S69-K71 VanDerWaalsContact OG-N 3.15Å; K71-K74 PolarHBondContact O-N 3.18Å; K71-Q75 WeakPolarHBondContact O-CG 3.45Å; K71-Q75 PolarHBondContact O-N 3.22Å
72	E	92.7	Very high	90.5	Very high	41 Å²	41	83.7 Å²	83.7	19%	0.192	39%	0.387	C	S	.	.	H	α-helix	trans	-69	-37.8	177.6	-70	75.1	-130.4	0	0	110.9	W66 F68 S69 K74 Q75 Y122	W66-E72 HydrophobicContact CZ2-CB 3.85Å; F68-E72 HydrophobicContact CB-CB 4.47Å; S69-E72 VanDerWaalsContact CA-OE2 3.31Å; S69-E72 WeakPolarHBondContact CA-OE2 3.41Å; S69-E72 WeakPolarHBondContact CB-OE2 3.43Å; S69-E72 PolarHBondContact N-OE2 3.02Å; S69-E72 PolarHBondContact O-N 3.36Å; S69-E72 VanDerWaalsContact O-N 3.08Å; S69-E72 VanDerWaalsContact OG-CD 3.26Å; S69-E72 PolarHBondContact OG-OE1 3.5Å; S69-E72 PolarHBondContact OG-OE2 3.17Å; E72-K74 VanDerWaalsContact C-N 3.31Å; E72-K74 PolarHBondContact O-N 3.2Å; E72-Q75 WeakPolarHBondContact O-CB 3.31Å; E72-Q75 PolarHBondContact O-N 3.09Å; E72-Y122 HydrophobicContact CB-CE1 4.24Å; E72-Y122 HydrophobicContact CB-CE2 4.2Å; E72-Y122 HydrophobicContact CG-CE1 4.04Å; E72-Y122 HydrophobicContact CG-CE2 4.26Å; E72-Y122 WeakPolarHBondContact CG-OH 3.38Å
73	L	92.3	Very high	91.8	Very high	21 Å²	21	76.6 Å²	76.6	11%	0.11	35%	0.349	C	S	.	.	H	α-helix	trans	-57.6	-45.7	174.9	-168.3	59.7	0	0	0	111.3	F58 L60 W66 S69 E70 Q75 I76	F58-L73 HydrophobicContact CD1-CD1 4.16Å; F58-L73 HydrophobicContact CD1-CG 4.49Å; F58-L73 HydrophobicContact CE1-CD1 3.68Å; F58-L73 HydrophobicContact CE1-CG 4.42Å; L60-L73 HydrophobicContact CD1-CD1 4.28Å; L60-L73 HydrophobicContact CD1-CD2 4.43Å; W66-L73 HydrophobicContact CD2-CB 4.43Å; W66-L73 HydrophobicContact CD2-CD1 3.68Å; W66-L73 HydrophobicContact CE3-CD1 3.9Å; W66-L73 HydrophobicContact CG-CD1 4.07Å; W66-L73 HydrophobicContact CH2-CD1 4.41Å; W66-L73 HydrophobicContact CZ2-CB 4.14Å; W66-L73 HydrophobicContact CZ2-CD1 4.22Å; W66-L73 HydrophobicContact CZ3-CD1 4.25Å; S69-L73 PolarHBondContact O-N 3.45Å; S69-L73 VanDerWaalsContact O-N 3.17Å; E70-L73 PolarHBondContact O-N 3.08Å; L73-Q75 PolarHBondContact O-N 3.02Å; L73-I76 HydrophobicContact CD1-CD1 4.14Å; L73-I76 WeakPolarHBondContact O-CG1 3.37Å; L73-I76 PolarHBondContact O-N 3.38Å
74	K	90.7	Very high	93.2	Very high	145 Å²	145	69.5 Å²	69.5	63%	0.63	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-7	177.2	-71.1	175.6	-175.6	178.5	0	114.1	R55 E70 K71 E72	R55-K74 PolarHBondContact NH2-O 3.15Å; E70-K74 WeakPolarHBondContact O-CB 3.43Å; E70-K74 VanDerWaalsContact O-CG 3.29Å; E70-K74 WeakPolarHBondContact O-CG 3.39Å; E70-K74 PolarHBondContact O-N 2.97Å; K71-K74 PolarHBondContact O-N 3.18Å; E72-K74 VanDerWaalsContact C-N 3.31Å; E72-K74 PolarHBondContact O-N 3.2Å
75	Q	91.5	Very high	94.2	Very high	95 Å²	95	74.6 Å²	74.6	44%	0.444	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-14.2	173.2	-75.1	175.9	3.1	0	0	112.8	K71 E72 L73 E77	K71-Q75 WeakPolarHBondContact O-CG 3.45Å; K71-Q75 PolarHBondContact O-N 3.22Å; E72-Q75 WeakPolarHBondContact O-CB 3.31Å; E72-Q75 PolarHBondContact O-N 3.09Å; L73-Q75 PolarHBondContact O-N 3.02Å; Q75-E77 PolarHBondContact O-N 3.29Å
76	I	95	Very high	94.9	Very high	8 Å²	8	68.4 Å²	68.4	4%	0.041	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-64.9	127.5	173.4	-52.2	178.9	0	0	0	108.5	W66 L73 F78 M92 L94 C118	W66-I76 HydrophobicContact CH2-CD1 3.83Å; W66-I76 HydrophobicContact CZ3-CD1 3.98Å; L73-I76 HydrophobicContact CD1-CD1 4.14Å; L73-I76 WeakPolarHBondContact O-CG1 3.37Å; L73-I76 PolarHBondContact O-N 3.38Å; I76-F78 HydrophobicContact CB-CD2 4.47Å; I76-F78 HydrophobicContact CB-CE2 3.96Å; I76-F78 HydrophobicContact CG2-CD2 3.8Å; I76-F78 HydrophobicContact CG2-CE2 3.28Å; I76-F78 HydrophobicContact CG2-CZ 3.89Å; I76-M92 HydrophobicContact CG2-CB 4.01Å; I76-M92 HydrophobicContact CG2-CG 4.15Å; I76-M92 HydrophobicContact CG2-SD 4.04Å; I76-L94 HydrophobicContact CD1-CD2 3.86Å; I76-L94 HydrophobicContact CD1-CG 4.33Å; I76-L94 HydrophobicContact CG1-CD2 4.07Å; I76-L94 HydrophobicContact CG1-CG 4.15Å; I76-L94 HydrophobicContact CG2-CG 4.21Å; I76-C118 HydrophobicContact CD1-CB 4.2Å
77	E	95.4	Very high	95.1	Very high	62 Å²	62	67.7 Å²	67.7	29%	0.29	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	118.5	174.8	-173.1	-179.5	152.9	0	0	109.7	Q75 M92 N93 R166 F167	Q75-E77 PolarHBondContact O-N 3.29Å; E77-M92 CarbonylContact O-C 3.54Å; E77-M92 WeakPolarHBondContact O-CA 3.46Å; E77-N93 HydrophobicContact CB-CB 4.39Å; E77-N93 PolarHBondContact N-O 3.36Å; E77-N93 PolarHBondContact O-N 2.74Å; E77-R166 IonicContact OE1-CZ 3.82Å; E77-R166 IonicContact OE1-NE 3.13Å; E77-R166 PolarHBondContact OE1-NE 3.49Å; E77-R166 VanDerWaalsContact OE1-NE 3.12Å; E77-R166 IonicContact OE1-NH2 3.97Å; E77-R166 PolarHBondContact OE1-NH2 2.98Å; E77-F167 HydrophobicContact CB-CE1 4.36Å; E77-F167 HydrophobicContact CG-CE1 4.24Å; E77-F167 HydrophobicContact CG-CZ 4.32Å
78	F	96	Very high	95.3	Very high	1 Å²	1	67.9 Å²	67.9	0%	0.004	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	143	172.4	-74.1	-96.7	0	0	0	111.1	Y42 L44 L56 F58 I76 C91 M92 L114	Y42-F78 HydrophobicContact CD2-CE1 4.41Å; Y42-F78 HydrophobicContact CE2-CD1 4.41Å; Y42-F78 HydrophobicContact CE2-CE1 4.07Å; L44-F78 HydrophobicContact CD1-CB 4.23Å; L44-F78 HydrophobicContact CD1-CD1 4.04Å; L44-F78 HydrophobicContact CD1-CG 4.45Å; L44-F78 HydrophobicContact CD2-CB 3.65Å; L44-F78 HydrophobicContact CD2-CD1 3.62Å; L44-F78 HydrophobicContact CD2-CD2 4.15Å; L44-F78 HydrophobicContact CD2-CE1 4.27Å; L44-F78 HydrophobicContact CD2-CG 3.53Å; L44-F78 HydrophobicContact CG-CD1 4.42Å; L56-F78 HydrophobicContact CB-CB 4.14Å; L56-F78 HydrophobicContact CD1-CB 4.41Å; F58-F78 HydrophobicContact CB-CD2 3.55Å; F58-F78 HydrophobicContact CB-CE2 3.52Å; F58-F78 HydrophobicContact CB-CG 4.41Å; F58-F78 HydrophobicContact CB-CZ 4.35Å; F58-F78 AromaticContact CD1-CE2 3.74Å; F58-F78 HydrophobicContact CD1-CE2 3.74Å; F58-F78 HydrophobicContact CD1-CZ 4.22Å; F58-F78 HydrophobicContact CD2-CD1 4.37Å; F58-F78 AromaticContact CD2-CD2 3.9Å; F58-F78 HydrophobicContact CD2-CD2 3.9Å; F58-F78 AromaticContact CD2-CE1 3.77Å; F58-F78 HydrophobicContact CD2-CE1 3.77Å; F58-F78 AromaticContact CD2-CE2 3.23Å; F58-F78 HydrophobicContact CD2-CE2 3.23Å; F58-F78 HydrophobicContact CD2-CG 4.42Å; F58-F78 AromaticContact CD2-CZ 3.16Å; F58-F78 HydrophobicContact CD2-CZ 3.16Å; F58-F78 HydrophobicContact CE1-CE2 4.17Å; F58-F78 HydrophobicContact CE1-CZ 4.25Å; F58-F78 AromaticContact CE2-CE1 3.86Å; F58-F78 HydrophobicContact CE2-CE1 3.86Å; F58-F78 AromaticContact CE2-CE2 3.71Å; F58-F78 HydrophobicContact CE2-CE2 3.71Å; F58-F78 AromaticContact CE2-CZ 3.2Å; F58-F78 HydrophobicContact CE2-CZ 3.2Å; F58-F78 AromaticContact CG-CD2 3.81Å; F58-F78 HydrophobicContact CG-CD2 3.81Å; F58-F78 AromaticContact CG-CE2 3.22Å; F58-F78 HydrophobicContact CG-CE2 3.22Å; F58-F78 AromaticContact CG-CZ 3.69Å; F58-F78 HydrophobicContact CG-CZ 3.69Å; F58-F78 HydrophobicContact CZ-CE2 4.13Å; F58-F78 AromaticContact CZ-CZ 3.76Å; F58-F78 HydrophobicContact CZ-CZ 3.76Å; I76-F78 HydrophobicContact CB-CD2 4.47Å; I76-F78 HydrophobicContact CB-CE2 3.96Å; I76-F78 HydrophobicContact CG2-CD2 3.8Å; I76-F78 HydrophobicContact CG2-CE2 3.28Å; I76-F78 HydrophobicContact CG2-CZ 3.89Å; F78-C91 WeakPolarHBondContact CA-O 3.28Å; F78-C91 WeakPolarHBondContact CD1-O 3.37Å; F78-M92 HydrophobicContact CD1-CB 3.67Å; F78-M92 HydrophobicContact CE1-CB 3.36Å; F78-M92 HydrophobicContact CE1-CG 4.44Å; F78-M92 HydrophobicContact CE1-SD 4.39Å; F78-M92 HydrophobicContact CE2-CB 4.23Å; F78-M92 HydrophobicContact CG-CB 4.26Å; F78-M92 HydrophobicContact CZ-CB 3.65Å; F78-M92 HydrophobicContact CZ-CG 4.44Å; F78-M92 HydrophobicContact CZ-SD 4Å; F78-L114 HydrophobicContact CE1-CB 4.5Å; F78-L114 HydrophobicContact CE1-CD1 4.28Å
79	C	96.2	Very high	95.6	Very high	2 Å²	2	65 Å²	65	1%	0.014	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	166.1	171.9	65.6	0	0	0	0	110.8	C91 R166	C79-C91 PolarHBondContact N-O 2.97Å; C79-C91 PolarHBondContact O-N 2.92Å; C79-R166 VanDerWaalsContact CB-CZ 3.44Å
80	Y	96.9	Very high	95.8	Very high	77 Å²	77	62.3 Å²	62.3	30%	0.302	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	134.2	167.5	-70.6	-66.4	0	0	0	110.5	L44 L56 R88 I89 A90 C142	L44-Y80 HydrophobicContact CD1-CE1 4.15Å; L56-Y80 HydrophobicContact CD1-CD2 3.55Å; L56-Y80 HydrophobicContact CD1-CE2 3.55Å; L56-Y80 HydrophobicContact CD1-CG 4.32Å; L56-Y80 HydrophobicContact CD2-CD2 4.46Å; L56-Y80 HydrophobicContact CD2-CE2 4.14Å; Y80-R88 HydrophobicContact CD1-CG 3.4Å; Y80-R88 VanDerWaalsContact CD1-CG 3.4Å; Y80-R88 HydrophobicContact CD2-CG 4.42Å; Y80-R88 HydrophobicContact CE1-CG 4.08Å; Y80-R88 HydrophobicContact CG-CG 3.59Å; Y80-I89 CarbonylContact C-O 3.57Å; Y80-I89 VanDerWaalsContact CA-O 3.26Å; Y80-I89 WeakPolarHBondContact CA-O 3.49Å; Y80-A90 HydrophobicContact CD1-CB 4.22Å; Y80-A90 HydrophobicContact CE1-CB 3.94Å; Y80-C142 HydrophobicContact CE1-CB 4.31Å
81	S	97.1	Very high	96.1	Very high	10 Å²	10	56.6 Å²	56.6	7%	0.07	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	169.9	161.8	83.9	0	0	0	0	110.2	R88 I89 S158 T162	S81-R88 WeakPolarHBondContact O-CA 3.45Å; S81-I89 PolarHBondContact N-O 3.08Å; S81-I89 PolarHBondContact O-N 3.21Å; S81-I89 WeakPolarHBondContact OG-CB 3.36Å; S81-S158 WeakPolarHBondContact OG-CB 3.41Å; S81-S158 PolarHBondContact OG-OG 3.2Å; S81-T162 WeakPolarHBondContact CB-OG1 3.14Å
82	R	98.1	Very high	96.4	Very high	186 Å²	186	50 Å²	50	70%	0.702	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	115.1	172.8	-170.5	70	156.9	-122.4	-1.7	108.5	G86	R82-G86 PolarHBondContact NE-O 3.45Å
83	S	98.5	Very high	96.7	Very high	4 Å²	4	48.5 Å²	48.5	3%	0.028	23%	0.228	C	C	.	.			trans	-69.1	156.2	174.4	68.7	0	0	0	0	111.1	R85 G86 N87	S83-R85 PolarHBondContact O-N 3.29Å; S83-G86 PolarHBondContact O-N 3Å; S83-N87 PolarHBondContact N-O 3.44Å; S83-N87 WeakPolarHBondContact OG-CB 3.32Å; S83-N87 PolarHBondContact OG-N 3.34Å; S83-N87 VanDerWaalsContact OG-N 3.09Å; S83-N87 PolarHBondContact OG-O 3.41Å
84	S	98.3	Very high	96.9	Very high	100 Å²	100	47.6 Å²	47.6	70%	0.699	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-13.9	173.8	58.9	0	0	0	0	113.4
85	R	98.1	Very high	97.1	Very high	135 Å²	135	44 Å²	44	51%	0.509	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	7.6	176.7	-61.5	-175.4	55.4	66.9	7.5	113.2	S83 N87 K150 N151 A154	S83-R85 PolarHBondContact O-N 3.29Å; R85-N87 VanDerWaalsContact C-N 3.34Å; R85-K150 WeakPolarHBondContact CD-O 3.29Å; R85-N151 WeakPolarHBondContact CD-OD1 3.37Å; R85-N151 PolarHBondContact NE-OD1 2.93Å; R85-A154 HydrophobicContact CB-CB 4.38Å; R85-A154 HydrophobicContact CG-CB 3.76Å
86	G	97.9	Very high	97.2	Very high	38 Å²	38	39.9 Å²	39.9	39%	0.392	20%	0.198	S	C	.	.	S	Bend	trans	86.8	-2.9	172.7	0	0	0	0	0	115	R82 S83	R82-G86 PolarHBondContact NE-O 3.45Å; S83-G86 PolarHBondContact O-N 3Å
87	N	98.6	Very high	97	Very high	23 Å²	23	40.7 Å²	40.7	12%	0.123	20%	0.203	C	C	.	.			trans	-75.8	136.3	177.7	-55.2	-35.6	0	0	0	110	S83 R85 I89 S138 G145 N151	S83-N87 PolarHBondContact N-O 3.44Å; S83-N87 WeakPolarHBondContact OG-CB 3.32Å; S83-N87 PolarHBondContact OG-N 3.34Å; S83-N87 VanDerWaalsContact OG-N 3.09Å; S83-N87 PolarHBondContact OG-O 3.41Å; R85-N87 VanDerWaalsContact C-N 3.34Å; N87-I89 HydrophobicContact CB-CD1 3.88Å; N87-S138 PolarHBondContact ND2-OG 2.73Å; N87-G145 WeakPolarHBondContact OD1-CA 3.42Å; N87-N151 PolarHBondContact ND2-OD1 2.82Å
88	R	98.3	Very high	96.7	Very high	102 Å²	102	44.4 Å²	44.4	39%	0.385	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	124.4	164.2	-175.4	179.7	63.4	-110.2	1.3	108.9	Y80 S81 S143 T144	Y80-R88 HydrophobicContact CD1-CG 3.4Å; Y80-R88 VanDerWaalsContact CD1-CG 3.4Å; Y80-R88 HydrophobicContact CD2-CG 4.42Å; Y80-R88 HydrophobicContact CE1-CG 4.08Å; Y80-R88 HydrophobicContact CG-CG 3.59Å; S81-R88 WeakPolarHBondContact O-CA 3.45Å; R88-S143 WeakPolarHBondContact O-CA 3.5Å; R88-T144 HydrophobicContact CB-CG2 4.23Å; R88-T144 PolarHBondContact N-OG1 3.44Å; R88-T144 PolarHBondContact O-N 3.33Å; R88-T144 PolarHBondContact O-OG1 3.32Å; R88-T144 VanDerWaalsContact O-OG1 3.11Å
89	I	98.7	Very high	96.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125	-175.9	-55.5	-53.4	0	0	0	108.5	Y80 S81 N87 Y135 D136 S143 D155	Y80-I89 CarbonylContact C-O 3.57Å; Y80-I89 VanDerWaalsContact CA-O 3.26Å; Y80-I89 WeakPolarHBondContact CA-O 3.49Å; S81-I89 PolarHBondContact N-O 3.08Å; S81-I89 PolarHBondContact O-N 3.21Å; S81-I89 WeakPolarHBondContact OG-CB 3.36Å; N87-I89 HydrophobicContact CB-CD1 3.88Å; I89-Y135 HydrophobicContact CG2-CD2 4.06Å; I89-Y135 HydrophobicContact CG2-CG 4.5Å; I89-D136 VanDerWaalsContact CG2-O 3.24Å; I89-D136 WeakPolarHBondContact CG2-O 3.41Å; I89-S143 WeakPolarHBondContact CA-OG 3.47Å; I89-D155 HydrophobicContact CD1-CB 4.34Å; I89-D155 WeakPolarHBondContact CD1-OD1 3.32Å; I89-D155 HydrophobicContact CG1-CB 4.37Å
90	A	98.4	Very high	96.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	130.1	173.2	0	0	0	0	0	109.4	Y42 L44 Y80 L114 Y135 D136 C142 S143	Y42-A90 WeakPolarHBondContact OH-CB 3.44Å; L44-A90 HydrophobicContact CD1-CB 4.12Å; Y80-A90 HydrophobicContact CD1-CB 4.22Å; Y80-A90 HydrophobicContact CE1-CB 3.94Å; A90-L114 HydrophobicContact CB-CD1 4.26Å; A90-L114 WeakPolarHBondContact O-CD1 3.33Å; A90-Y135 CarbonylContact O-C 3.55Å; A90-Y135 VanDerWaalsContact O-CA 3.23Å; A90-Y135 WeakPolarHBondContact O-CA 3.31Å; A90-D136 PolarHBondContact O-N 3.2Å; A90-C142 HydrophobicContact CB-CB 4.01Å; A90-S143 PolarHBondContact N-OG 3.48Å
91	C	98.5	Very high	96.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	150.2	175	-51.3	0	0	0	0	109.9	F78 C79 F133 S134	F78-C91 WeakPolarHBondContact CA-O 3.28Å; F78-C91 WeakPolarHBondContact CD1-O 3.37Å; C79-C91 PolarHBondContact N-O 2.97Å; C79-C91 PolarHBondContact O-N 2.92Å; C91-F133 HydrophobicContact CB-CE1 3.94Å; C91-F133 HydrophobicContact CB-CE2 4.05Å; C91-F133 HydrophobicContact CB-CZ 3.39Å; C91-S134 CarbonylContact C-O 3.52Å; C91-S134 VanDerWaalsContact CA-O 3.27Å; C91-S134 WeakPolarHBondContact CA-O 3.33Å
92	M	97.8	Very high	96.5	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	140.3	171.2	100.3	173.1	101.1	0	0	110.4	I76 E77 F78 L94 L114 C118 Y121 F133 S134	I76-M92 HydrophobicContact CG2-CB 4.01Å; I76-M92 HydrophobicContact CG2-CG 4.15Å; I76-M92 HydrophobicContact CG2-SD 4.04Å; E77-M92 CarbonylContact O-C 3.54Å; E77-M92 WeakPolarHBondContact O-CA 3.46Å; F78-M92 HydrophobicContact CD1-CB 3.67Å; F78-M92 HydrophobicContact CE1-CB 3.36Å; F78-M92 HydrophobicContact CE1-CG 4.44Å; F78-M92 HydrophobicContact CE1-SD 4.39Å; F78-M92 HydrophobicContact CE2-CB 4.23Å; F78-M92 HydrophobicContact CG-CB 4.26Å; F78-M92 HydrophobicContact CZ-CB 3.65Å; F78-M92 HydrophobicContact CZ-CG 4.44Å; F78-M92 HydrophobicContact CZ-SD 4Å; M92-L94 HydrophobicContact CG-CD1 3.48Å; M92-L94 VanDerWaalsContact CG-CD1 3.48Å; M92-L94 HydrophobicContact CG-CG 4.31Å; M92-L94 HydrophobicContact SD-CD1 3.52Å; M92-L94 VanDerWaalsContact SD-CD1 3.52Å; M92-L94 HydrophobicContact SD-CD2 4.4Å; M92-L94 HydrophobicContact SD-CG 4.12Å; M92-L114 HydrophobicContact CB-CD1 4.36Å; M92-L114 HydrophobicContact CE-CB 3.62Å; M92-L114 HydrophobicContact CE-CD2 3.26Å; M92-L114 HydrophobicContact CE-CG 3.89Å; M92-L114 WeakPolarHBondContact CE-O 3.25Å; M92-L114 HydrophobicContact CG-CD2 4.46Å; M92-C118 HydrophobicContact CE-CB 3.94Å; M92-C118 HydrophobicContact SD-CB 3.74Å; M92-Y121 HydrophobicContact CE-CD2 3.47Å; M92-Y121 VanDerWaalsContact CE-CD2 3.47Å; M92-Y121 HydrophobicContact CE-CE2 3.55Å; M92-Y121 HydrophobicContact SD-CD2 4.28Å; M92-F133 CarbonylContact O-C 3.53Å; M92-F133 VanDerWaalsContact O-CA 3.29Å; M92-F133 WeakPolarHBondContact O-CA 3.33Å; M92-F133 WeakPolarHBondContact O-CD2 3.44Å; M92-S134 PolarHBondContact N-O 2.88Å; M92-S134 PolarHBondContact O-N 3.05Å
93	N	97.9	Very high	96.5	Very high	10 Å²	10	49.7 Å²	49.7	5%	0.053	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	119.6	172.7	-178.3	61	0	0	0	109.4	E77 C95 F133 F167	E77-N93 HydrophobicContact CB-CB 4.39Å; E77-N93 PolarHBondContact N-O 3.36Å; E77-N93 PolarHBondContact O-N 2.74Å; N93-C95 PolarHBondContact ND2-SG 2.94Å; N93-C95 VanDerWaalsContact ND2-SG 3.44Å; N93-F133 HydrophobicContact CB-CD2 3.78Å; N93-F133 HydrophobicContact CB-CE2 4.23Å; N93-F167 HydrophobicContact CB-CD1 4.14Å; N93-F167 HydrophobicContact CB-CE1 3.58Å; N93-F167 HydrophobicContact CB-CE2 4.24Å; N93-F167 HydrophobicContact CB-CZ 3.64Å
94	L	97.3	Very high	96.6	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	109.2	174.4	-54.2	95.9	0	0	0	109.5	I76 M92 C96 Y121 Y122 N131 V132	I76-L94 HydrophobicContact CD1-CD2 3.86Å; I76-L94 HydrophobicContact CD1-CG 4.33Å; I76-L94 HydrophobicContact CG1-CD2 4.07Å; I76-L94 HydrophobicContact CG1-CG 4.15Å; I76-L94 HydrophobicContact CG2-CG 4.21Å; M92-L94 HydrophobicContact CG-CD1 3.48Å; M92-L94 VanDerWaalsContact CG-CD1 3.48Å; M92-L94 HydrophobicContact CG-CG 4.31Å; M92-L94 HydrophobicContact SD-CD1 3.52Å; M92-L94 VanDerWaalsContact SD-CD1 3.52Å; M92-L94 HydrophobicContact SD-CD2 4.4Å; M92-L94 HydrophobicContact SD-CG 4.12Å; L94-C96 VanDerWaalsContact C-N 3.25Å; L94-C96 PolarHBondContact O-N 2.62Å; L94-Y121 HydrophobicContact CD1-CD2 4.27Å; L94-Y122 HydrophobicContact CD2-CD2 4.26Å; L94-N131 WeakPolarHBondContact O-CA 3.45Å; L94-N131 WeakPolarHBondContact O-CB 3.41Å; L94-V132 HydrophobicContact CD1-CB 4.05Å; L94-V132 HydrophobicContact CD1-CG1 4.25Å; L94-V132 VanDerWaalsContact CD1-O 3.31Å; L94-V132 WeakPolarHBondContact CD1-O 3.13Å; L94-V132 PolarHBondContact N-O 2.89Å; L94-V132 PolarHBondContact O-N 2.77Å
95	C	94.9	Very high	96.6	Very high	68 Å²	68	44.7 Å²	44.7	46%	0.459	22%	0.224	S	C	.	.			trans	-79.4	73.1	169.5	-67.3	0	0	0	0	110.1	N93 C97 N131	N93-C95 PolarHBondContact ND2-SG 2.94Å; N93-C95 VanDerWaalsContact ND2-SG 3.44Å; C95-C97 VanDerWaalsContact C-N 3.34Å; C95-C97 PolarHBondContact O-N 3.12Å; C95-N131 WeakPolarHBondContact CA-OD1 3.25Å
96	C	93.9	Very high	96.6	Very high	10 Å²	10	38.3 Å²	38.3	7%	0.068	20%	0.2	C	C	.	.			trans	-68.3	-34.1	-176.2	-51	0	0	0	0	112.5	L94 Y122 I126 C130 N131	L94-C96 VanDerWaalsContact C-N 3.25Å; L94-C96 PolarHBondContact O-N 2.62Å; C96-Y122 HydrophobicContact CB-CD2 4.45Å; C96-Y122 HydrophobicContact CB-CE2 4.41Å; C96-I126 HydrophobicContact CB-CG2 4.02Å; C96-C130 WeakPolarHBondContact CB-O 3.31Å; C96-N131 PolarHBondContact N-OD1 2.76Å; C96-N131 VanDerWaalsContact N-OD1 3.09Å
97	C	91.2	Very high	96.7	Very high	24 Å²	24	36.5 Å²	36.5	16%	0.162	18%	0.181	C	C	.	.			trans	-133.8	116.5	-172.5	-72.1	0	0	0	0	110.8	C95 R99 A100 N131	C95-C97 VanDerWaalsContact C-N 3.34Å; C95-C97 PolarHBondContact O-N 3.12Å; C97-R99 PolarHBondContact O-N 3Å; C97-A100 HydrophobicContact CB-CB 3.95Å; C97-A100 WeakPolarHBondContact O-CB 3.36Å; C97-A100 PolarHBondContact O-N 3.32Å; C97-N131 PolarHBondContact N-OD1 2.93Å; C97-N131 PolarHBondContact O-OD1 3.17Å
98	P	87.5	Confident	96.7	Very high	140 Å²	140	35.4 Å²	35.4	91%	0.909	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.2	-177.1	-27.9	35	0	0	0	115.5
99	R	91.6	Very high	96.6	Very high	242 Å²	242	30.9 Å²	30.9	91%	0.913	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.3	19.3	179	-62.1	-172	-65.4	177.8	-0.3	113	C97 K101	C97-R99 PolarHBondContact O-N 3Å; R99-K101 PolarHBondContact O-N 2.88Å
100	A	96.3	Very high	96.3	Very high	21 Å²	21	32.6 Å²	32.6	17%	0.174	17%	0.17	C	C	.	.			trans	-54.9	124.6	178.6	0	0	0	0	0	110.7	C97 N131	C97-A100 HydrophobicContact CB-CB 3.95Å; C97-A100 WeakPolarHBondContact O-CB 3.36Å; C97-A100 PolarHBondContact O-N 3.32Å; A100-N131 HydrophobicContact CB-CB 4.39Å
101	K	96.6	Very high	96	Very high	99 Å²	99	34.8 Å²	34.8	43%	0.43	19%	0.188	S	C	.	.	S	Bend	trans	-73.5	-37.3	172.8	-178.9	178.3	174.1	-168.6	0	111	R99 R173 N296	R99-K101 PolarHBondContact O-N 2.88Å; K101-R173 WeakPolarHBondContact O-CD 3.2Å; K101-R173 WeakPolarHBondContact O-CG 3.24Å; K101-N296 PolarHBondContact NZ-OD1 2.93Å
102	Y	98.3	Very high	95.9	Very high	16 Å²	16	36.3 Å²	36.3	6%	0.063	20%	0.197	C	C	.	.			trans	-116.2	149.7	-175.3	-59.1	-72.1	0	0	0	111.8	N131 R173 I175 A196 I291 L295	Y102-N131 PolarHBondContact O-N 3.5Å; Y102-R173 CarbonylContact C-O 3.57Å; Y102-R173 VanDerWaalsContact CA-O 3.31Å; Y102-R173 WeakPolarHBondContact CA-O 3.32Å; Y102-I175 HydrophobicContact CD1-CD1 4.3Å; Y102-I175 HydrophobicContact CD1-CG1 4.19Å; Y102-I175 HydrophobicContact CD2-CD1 4.17Å; Y102-I175 HydrophobicContact CG-CD1 3.8Å; Y102-I175 HydrophobicContact CG-CG1 4.14Å; Y102-A196 HydrophobicContact CD1-CB 3.83Å; Y102-A196 HydrophobicContact CE1-CB 3.63Å; Y102-I291 HydrophobicContact CD2-CG2 4.05Å; Y102-L295 HydrophobicContact CE2-CB 4.29Å; Y102-L295 HydrophobicContact CE2-CD1 4.32Å; Y102-L295 PolarHBondContact OH-O 3.4Å
103	T	98.7	Very high	95.8	Very high	9 Å²	9	36.3 Å²	36.3	6%	0.055	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.7	166.2	-57.2	0	0	0	0	108.8	N131 F133 L163 R173 V174 I175	T103-N131 CarbonylContact C-O 3.59Å; T103-N131 WeakPolarHBondContact CA-O 3.41Å; T103-N131 HydrophobicContact CG2-CB 3.98Å; T103-F133 HydrophobicContact CG2-CB 3.96Å; T103-L163 HydrophobicContact CG2-CD1 3.96Å; T103-L163 HydrophobicContact CG2-CD2 4.23Å; T103-R173 PolarHBondContact N-O 2.9Å; T103-V174 WeakPolarHBondContact O-CA 3.38Å; T103-I175 PolarHBondContact O-N 3.44Å
104	I	98.9	Very high	95.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	122.5	174.4	-65.8	170.5	0	0	0	108.7	F106 I128 C130 N131 V132 F133 I175 Y177	I104-F106 HydrophobicContact CG2-CB 4.14Å; I104-F106 HydrophobicContact CG2-CD2 4.08Å; I104-I128 HydrophobicContact CD1-CD1 3.44Å; I104-I128 VanDerWaalsContact CD1-CD1 3.44Å; I104-I128 HydrophobicContact CD1-CG1 4.45Å; I104-C130 HydrophobicContact CD1-CB 4.03Å; I104-C130 HydrophobicContact CG1-CB 4.18Å; I104-N131 PolarHBondContact N-O 2.96Å; I104-V132 HydrophobicContact CB-CG2 4.45Å; I104-F133 PolarHBondContact O-N 2.8Å; I104-I175 CarbonylContact C-O 3.23Å; I104-I175 VanDerWaalsContact CA-O 3.25Å; I104-I175 WeakPolarHBondContact CA-O 3.2Å; I104-I175 HydrophobicContact CG1-CB 4.13Å; I104-I175 HydrophobicContact CG1-CG2 4.37Å; I104-Y177 VanDerWaalsContact CG2-CB 3.47Å; I104-Y177 HydrophobicContact CG2-CG 4.35Å
105	L	98.9	Very high	95.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	101.6	162.5	171.5	58.1	0	0	0	107.9	F133 Y135 I156 A159 L160 L163 V174 I175 L176 Y177	L105-F133 CarbonylContact C-O 3.6Å; L105-F133 VanDerWaalsContact CA-O 3.3Å; L105-F133 WeakPolarHBondContact CA-O 3.37Å; L105-F133 HydrophobicContact CD1-CD1 3.61Å; L105-F133 HydrophobicContact CD1-CE1 4.2Å; L105-Y135 HydrophobicContact CD1-CD1 3.83Å; L105-Y135 HydrophobicContact CD1-CE1 3.92Å; L105-I156 HydrophobicContact CD2-CG1 4.14Å; L105-A159 HydrophobicContact CD1-CB 3.95Å; L105-L160 HydrophobicContact CD2-CB 3.87Å; L105-L160 HydrophobicContact CD2-CD1 4.13Å; L105-L163 HydrophobicContact CB-CD2 4.16Å; L105-V174 HydrophobicContact CB-CG1 3.9Å; L105-I175 PolarHBondContact N-O 3.2Å; L105-L176 HydrophobicContact CB-CD2 4.09Å; L105-L176 HydrophobicContact CD2-CD2 3.7Å; L105-L176 HydrophobicContact CG-CD2 4.15Å; L105-Y177 PolarHBondContact O-N 2.79Å
106	F	98.9	Very high	95.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	125.6	-174.3	-154.4	-69.5	0	0	0	111.4	I104 F120 Y121 L124 V132 F133 S134 Y177 Q179	I104-F106 HydrophobicContact CG2-CB 4.14Å; I104-F106 HydrophobicContact CG2-CD2 4.08Å; F106-F120 AromaticContact CE2-CE1 3.95Å; F106-F120 HydrophobicContact CE2-CE1 3.95Å; F106-F120 AromaticContact CZ-CE1 3.95Å; F106-F120 HydrophobicContact CZ-CE1 3.95Å; F106-Y121 HydrophobicContact CB-CE1 4.14Å; F106-Y121 AromaticContact CD1-CE1 3.52Å; F106-Y121 HydrophobicContact CD1-CE1 3.52Å; F106-Y121 AromaticContact CD1-CZ 3.8Å; F106-Y121 WeakPolarHBondContact CD1-OH 3.06Å; F106-Y121 HydrophobicContact CD2-CD1 4.17Å; F106-Y121 AromaticContact CD2-CE1 3.81Å; F106-Y121 HydrophobicContact CD2-CE1 3.81Å; F106-Y121 AromaticContact CE1-CE1 3.78Å; F106-Y121 HydrophobicContact CE1-CE1 3.78Å; F106-Y121 HydrophobicContact CE2-CD1 4.44Å; F106-Y121 HydrophobicContact CE2-CE1 4.03Å; F106-Y121 HydrophobicContact CG-CD1 4.25Å; F106-Y121 AromaticContact CG-CE1 3.54Å; F106-Y121 HydrophobicContact CG-CE1 3.54Å; F106-Y121 HydrophobicContact CZ-CE1 4.02Å; F106-L124 HydrophobicContact CE2-CD2 4.14Å; F106-V132 HydrophobicContact CB-CG1 4.23Å; F106-F133 PolarHBondContact N-O 3.5Å; F106-S134 PolarHBondContact O-OG 3.11Å; F106-Y177 CarbonylContact C-O 3.56Å; F106-Y177 WeakPolarHBondContact CA-O 3.33Å; F106-Y177 HydrophobicContact CD1-CD1 4.3Å; F106-Y177 AromaticContact CD2-CD1 3.64Å; F106-Y177 HydrophobicContact CD2-CD1 3.64Å; F106-Y177 HydrophobicContact CD2-CD2 4.26Å; F106-Y177 HydrophobicContact CD2-CE1 4.3Å; F106-Y177 AromaticContact CD2-CG 3.67Å; F106-Y177 HydrophobicContact CD2-CG 3.67Å; F106-Y177 AromaticContact CE1-CD1 3.91Å; F106-Y177 HydrophobicContact CE1-CD1 3.91Å; F106-Y177 HydrophobicContact CE1-CE1 4.16Å; F106-Y177 AromaticContact CE2-CD1 3.21Å; F106-Y177 HydrophobicContact CE2-CD1 3.21Å; F106-Y177 AromaticContact CE2-CD2 3.98Å; F106-Y177 HydrophobicContact CE2-CD2 3.98Å; F106-Y177 AromaticContact CE2-CE1 3.42Å; F106-Y177 HydrophobicContact CE2-CE1 3.42Å; F106-Y177 VanDerWaalsContact CE2-CE1 3.42Å; F106-Y177 HydrophobicContact CE2-CE2 4.09Å; F106-Y177 AromaticContact CE2-CG 3.57Å; F106-Y177 HydrophobicContact CE2-CG 3.57Å; F106-Y177 AromaticContact CE2-CZ 3.87Å; F106-Y177 HydrophobicContact CG-CD1 4.17Å; F106-Y177 HydrophobicContact CG-CG 4.39Å; F106-Y177 AromaticContact CZ-CD1 3.37Å; F106-Y177 HydrophobicContact CZ-CD1 3.37Å; F106-Y177 AromaticContact CZ-CE1 3.33Å; F106-Y177 HydrophobicContact CZ-CE1 3.33Å; F106-Y177 HydrophobicContact CZ-CG 4.2Å; F106-Q179 HydrophobicContact CE1-CB 4.14Å; F106-Q179 HydrophobicContact CZ-CB 4.3Å
107	S	98.9	Very high	95.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	107	170	-62	0	0	0	0	108.2	Y135 Y137 I156 Y177 Q179 G182 T186	S107-Y135 PolarHBondContact OG-OH 3.25Å; S107-Y137 VanDerWaalsContact C-OH 3.28Å; S107-I156 WeakPolarHBondContact OG-CD1 3.16Å; S107-Y177 PolarHBondContact N-O 3.47Å; S107-Q179 PolarHBondContact O-N 3.23Å; S107-G182 VanDerWaalsContact CB-O 3.29Å; S107-G182 WeakPolarHBondContact CB-O 3.46Å; S107-T186 PolarHBondContact OG-OG1 2.79Å
108	H	98.4	Very high	96.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.185	C	C	.	.			trans	-69.8	167.9	-171.2	63.5	79.2	0	0	0	114.9	V112 M117 Y121 Y135 D136 Y137 Y140 G182	H108-V112 HydrophobicContact CB-CG2 3.99Å; H108-V112 PolarHBondContact CE1-O 3.15Å; H108-V112 VanDerWaalsContact CE1-O 3.31Å; H108-M117 HydrophobicContact CB-CG 4.34Å; H108-Y121 VanDerWaalsContact CB-OH 3.29Å; H108-Y121 WeakPolarHBondContact CB-OH 3.39Å; H108-Y135 PolarHBondContact CD2-O 2.96Å; H108-Y135 PolarHBondContact NE2-O 3.43Å; H108-D136 IonicContact NE2-OD1 3.08Å; H108-D136 PolarHBondContact NE2-OD1 3.23Å; H108-Y137 AromaticContact CE1-CD2 3.49Å; H108-Y137 VanDerWaalsContact CE1-CD2 3.49Å; H108-Y137 WeakPolarHBondContact CE1-CD2 3.21Å; H108-Y137 AromaticContact CE1-CE2 3.43Å; H108-Y137 VanDerWaalsContact CE1-CE2 3.43Å; H108-Y137 WeakPolarHBondContact CE1-CE2 3.29Å; H108-Y137 PolarHBondContact N-OH 2.72Å; H108-Y137 AromaticContact ND1-CE2 3.65Å; H108-Y137 AromaticContact NE2-CD2 3.86Å; H108-Y137 AromaticContact NE2-CE2 3.86Å; H108-Y137 PolarHBondContact O-OH 2.87Å; H108-Y140 AromaticContact CE1-CD1 3.71Å; H108-G182 WeakPolarHBondContact O-CA 3.4Å
109	G	96.1	Very high	96.6	Very high	8 Å²	8	30.1 Å²	30.1	8%	0.082	15%	0.149	C	C	.	.			trans	-67.9	-179.8	173.1	0	0	0	0	0	113.3	V112	G109-V112 WeakPolarHBondContact O-CG2 3.31Å
110	N	93.5	Very high	96.8	Very high	36 Å²	36	20.7 Å²	20.7	19%	0.193	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	168.4	167.2	-168.7	14	0	0	0	110.5	A34 M36 V112 Y140 I181	A34-N110 PolarHBondContact O-ND2 3.14Å; M36-N110 WeakPolarHBondContact CE-ND2 3.24Å; M36-N110 PolarHBondContact N-OD1 2.97Å; N110-V112 PolarHBondContact O-N 2.95Å; N110-Y140 PolarHBondContact OD1-OH 3.1Å; N110-I181 HydrophobicContact CB-CG2 4.05Å
111	A	92.5	Very high	96.9	Very high	46 Å²	46	19.7 Å²	19.7	38%	0.38	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	14.9	170.3	0	0	0	0	0	116.8	M36	M36-A111 VanDerWaalsContact O-CA 3.25Å; M36-A111 WeakPolarHBondContact O-CA 3.49Å
112	V	95	Very high	97	Very high	31 Å²	31	16.5 Å²	16.5	19%	0.188	9%	0.092	C	C	.	.			trans	-129.6	157.6	174	-61.7	0	0	0	0	110.2	H108 G109 N110 M117 Y140	H108-V112 HydrophobicContact CB-CG2 3.99Å; H108-V112 PolarHBondContact CE1-O 3.15Å; H108-V112 VanDerWaalsContact CE1-O 3.31Å; G109-V112 WeakPolarHBondContact O-CG2 3.31Å; N110-V112 PolarHBondContact O-N 2.95Å; V112-M117 HydrophobicContact CB-CG 3.98Å; V112-M117 HydrophobicContact CB-SD 3.95Å; V112-M117 HydrophobicContact CG1-SD 4.11Å; V112-M117 HydrophobicContact CG2-CG 3.79Å; V112-M117 HydrophobicContact CG2-SD 3.79Å; V112-Y140 VanDerWaalsContact O-CD1 3.31Å; V112-Y140 WeakPolarHBondContact O-CD1 3.46Å
113	D	97.1	Very high	96.9	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.091	C	C	.	.			trans	-126.7	179.1	168.3	72.7	1	0	0	0	111.5	P38 P40 T41 Y42 G115 Q116 M117 D136	P38-D113 HydrophobicContact CG-CB 4.12Å; P40-D113 WeakPolarHBondContact CA-OD2 3.47Å; T41-D113 PolarHBondContact N-OD2 3.46Å; T41-D113 PolarHBondContact OG1-OD1 3.23Å; T41-D113 PolarHBondContact OG1-OD2 2.91Å; Y42-D113 HydrophobicContact CE1-CB 4.36Å; D113-G115 PolarHBondContact O-N 3.34Å; D113-G115 PolarHBondContact OD1-N 2.98Å; D113-G115 VanDerWaalsContact OD1-N 3.12Å; D113-Q116 PolarHBondContact O-N 3.43Å; D113-Q116 PolarHBondContact OD1-N 3.4Å; D113-Q116 VanDerWaalsContact OD1-N 3.14Å; D113-M117 WeakPolarHBondContact O-CG 3.35Å; D113-M117 PolarHBondContact O-N 3.05Å; D113-M117 VanDerWaalsContact O-N 3.11Å; D113-D136 VanDerWaalsContact CA-OD1 3.26Å; D113-D136 WeakPolarHBondContact CA-OD1 3.37Å; D113-D136 WeakPolarHBondContact CB-OD1 3.29Å
114	L	97.7	Very high	96.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-55.8	-33.6	179	-74	-177.9	0	0	0	114.3	Y42 F78 A90 M92 M117 C118 Y121 S134 D136	Y42-L114 HydrophobicContact CD1-CB 4.45Å; Y42-L114 HydrophobicContact CE1-CB 3.84Å; F78-L114 HydrophobicContact CE1-CB 4.5Å; F78-L114 HydrophobicContact CE1-CD1 4.28Å; A90-L114 HydrophobicContact CB-CD1 4.26Å; A90-L114 WeakPolarHBondContact O-CD1 3.33Å; M92-L114 HydrophobicContact CB-CD1 4.36Å; M92-L114 HydrophobicContact CE-CB 3.62Å; M92-L114 HydrophobicContact CE-CD2 3.26Å; M92-L114 HydrophobicContact CE-CG 3.89Å; M92-L114 WeakPolarHBondContact CE-O 3.25Å; M92-L114 HydrophobicContact CG-CD2 4.46Å; L114-M117 PolarHBondContact O-N 2.84Å; L114-C118 WeakPolarHBondContact O-CB 3.39Å; L114-C118 PolarHBondContact O-N 2.9Å; L114-Y121 HydrophobicContact CD2-CE2 4.4Å; L114-S134 VanDerWaalsContact CD2-OG 3.26Å; L114-S134 WeakPolarHBondContact CD2-OG 3.3Å; L114-D136 HydrophobicContact CD1-CB 4.37Å; L114-D136 HydrophobicContact CG-CB 4.29Å; L114-D136 PolarHBondContact N-OD1 3.47Å
115	G	96.4	Very high	96.8	Very high	2 Å²	2	15.5 Å²	15.5	2%	0.021	9%	0.088	C	C	.	.	H	α-helix	trans	-67.8	-40.3	179.1	0	0	0	0	0	112.4	T41 D113 C118	T41-G115 WeakPolarHBondContact OG1-CA 3.18Å; D113-G115 PolarHBondContact O-N 3.34Å; D113-G115 PolarHBondContact OD1-N 2.98Å; D113-G115 VanDerWaalsContact OD1-N 3.12Å; G115-C118 PolarHBondContact O-SG 2.89Å; G115-C118 VanDerWaalsContact O-SG 3.33Å
116	Q	95.6	Very high	96.7	Very high	80 Å²	80	19 Å²	19	37%	0.374	11%	0.106	S	C	.	.	H	α-helix	trans	-70.9	-33.8	175.9	-65.7	175	-83.8	0	0	112.2	T41 T64 D113	T41-Q116 HydrophobicContact CG2-CG 3.57Å; T41-Q116 PolarHBondContact OG1-N 2.95Å; T64-Q116 HydrophobicContact CG2-CG 4.28Å; D113-Q116 PolarHBondContact O-N 3.43Å; D113-Q116 PolarHBondContact OD1-N 3.4Å; D113-Q116 VanDerWaalsContact OD1-N 3.14Å
117	M	96.5	Very high	96.6	Very high	20 Å²	20	24.2 Å²	24.2	10%	0.099	13%	0.126	C	C	.	.	H	α-helix	trans	-89	-17	-172.4	-63.8	-59.1	-65.1	0	0	114.6	H108 V112 D113 L114 S119 F120 Y121	H108-M117 HydrophobicContact CB-CG 4.34Å; V112-M117 HydrophobicContact CB-CG 3.98Å; V112-M117 HydrophobicContact CB-SD 3.95Å; V112-M117 HydrophobicContact CG1-SD 4.11Å; V112-M117 HydrophobicContact CG2-CG 3.79Å; V112-M117 HydrophobicContact CG2-SD 3.79Å; D113-M117 WeakPolarHBondContact O-CG 3.35Å; D113-M117 PolarHBondContact O-N 3.05Å; D113-M117 VanDerWaalsContact O-N 3.11Å; L114-M117 PolarHBondContact O-N 2.84Å; M117-S119 VanDerWaalsContact C-N 3.31Å; M117-S119 PolarHBondContact O-N 3.15Å; M117-F120 HydrophobicContact CE-CD1 3.71Å; M117-F120 HydrophobicContact CE-CE1 4.28Å; M117-F120 HydrophobicContact CE-CG 4.36Å; M117-F120 PolarHBondContact O-N 3.24Å; M117-F120 VanDerWaalsContact O-N 3.15Å; M117-Y121 HydrophobicContact CB-CD2 3.98Å; M117-Y121 HydrophobicContact CB-CE1 4Å; M117-Y121 HydrophobicContact CB-CE2 3.33Å; M117-Y121 HydrophobicContact CE-CE1 3.73Å; M117-Y121 HydrophobicContact CG-CE2 4.39Å; M117-Y121 WeakPolarHBondContact O-CD2 3.32Å; M117-Y121 VanDerWaalsContact O-CG 3.29Å; M117-Y121 PolarHBondContact O-N 3.01Å
118	C	96.7	Very high	96.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58.9	-39.3	-170.9	68.4	0	0	0	0	113.4	W66 I76 M92 L114 G115 Y121 Y122	W66-C118 HydrophobicContact CZ3-CB 4.3Å; I76-C118 HydrophobicContact CD1-CB 4.2Å; M92-C118 HydrophobicContact CE-CB 3.94Å; M92-C118 HydrophobicContact SD-CB 3.74Å; L114-C118 WeakPolarHBondContact O-CB 3.39Å; L114-C118 PolarHBondContact O-N 2.9Å; G115-C118 PolarHBondContact O-SG 2.89Å; G115-C118 VanDerWaalsContact O-SG 3.33Å; C118-Y121 PolarHBondContact O-N 3.22Å; C118-Y122 PolarHBondContact O-N 2.95Å
119	S	95.9	Very high	96.4	Very high	22 Å²	22	26 Å²	26	15%	0.154	14%	0.143	C	C	.	.	H	α-helix	trans	-64.1	-47	176.9	171.5	0	0	0	0	112	E65 P67 F68 M117 Y121 Y122 G123	E65-S119 WeakPolarHBondContact O-CB 3.26Å; P67-S119 WeakPolarHBondContact CD-OG 3.47Å; F68-S119 WeakPolarHBondContact CE2-O 3.38Å; M117-S119 VanDerWaalsContact C-N 3.31Å; M117-S119 PolarHBondContact O-N 3.15Å; S119-Y121 VanDerWaalsContact C-N 3.33Å; S119-Y121 PolarHBondContact O-N 2.75Å; S119-Y122 PolarHBondContact O-N 3.17Å; S119-G123 PolarHBondContact O-N 3.16Å
120	F	96.4	Very high	96.5	Very high	45 Å²	45	25.6 Å²	25.6	20%	0.197	14%	0.14	C	C	.	.	H	α-helix	trans	-58.7	-45.7	175.2	170.8	-99.2	0	0	0	111.2	F106 M117 Y122 G123 L124 E278	F106-F120 AromaticContact CE2-CE1 3.95Å; F106-F120 HydrophobicContact CE2-CE1 3.95Å; F106-F120 AromaticContact CZ-CE1 3.95Å; F106-F120 HydrophobicContact CZ-CE1 3.95Å; M117-F120 HydrophobicContact CE-CD1 3.71Å; M117-F120 HydrophobicContact CE-CE1 4.28Å; M117-F120 HydrophobicContact CE-CG 4.36Å; M117-F120 PolarHBondContact O-N 3.24Å; M117-F120 VanDerWaalsContact O-N 3.15Å; F120-Y122 PolarHBondContact O-N 3.32Å; F120-G123 PolarHBondContact O-N 2.67Å; F120-L124 HydrophobicContact CE1-CD2 3.97Å; F120-L124 HydrophobicContact CZ-CD2 4.05Å; F120-L124 VanDerWaalsContact O-CB 3.24Å; F120-L124 WeakPolarHBondContact O-CB 3.45Å; F120-L124 PolarHBondContact O-N 2.95Å; F120-E278 HydrophobicContact CE2-CB 4.39Å; F120-E278 HydrophobicContact CE2-CG 4.38Å
121	Y	98	Very high	96.7	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.9	-43.8	178.7	-64	-26.6	0	0	0	113.4	M92 L94 F106 H108 L114 M117 C118 S119 L124 G125 V132 S134	M92-Y121 HydrophobicContact CE-CD2 3.47Å; M92-Y121 VanDerWaalsContact CE-CD2 3.47Å; M92-Y121 HydrophobicContact CE-CE2 3.55Å; M92-Y121 HydrophobicContact SD-CD2 4.28Å; L94-Y121 HydrophobicContact CD1-CD2 4.27Å; F106-Y121 HydrophobicContact CB-CE1 4.14Å; F106-Y121 AromaticContact CD1-CE1 3.52Å; F106-Y121 HydrophobicContact CD1-CE1 3.52Å; F106-Y121 AromaticContact CD1-CZ 3.8Å; F106-Y121 WeakPolarHBondContact CD1-OH 3.06Å; F106-Y121 HydrophobicContact CD2-CD1 4.17Å; F106-Y121 AromaticContact CD2-CE1 3.81Å; F106-Y121 HydrophobicContact CD2-CE1 3.81Å; F106-Y121 AromaticContact CE1-CE1 3.78Å; F106-Y121 HydrophobicContact CE1-CE1 3.78Å; F106-Y121 HydrophobicContact CE2-CD1 4.44Å; F106-Y121 HydrophobicContact CE2-CE1 4.03Å; F106-Y121 HydrophobicContact CG-CD1 4.25Å; F106-Y121 AromaticContact CG-CE1 3.54Å; F106-Y121 HydrophobicContact CG-CE1 3.54Å; F106-Y121 HydrophobicContact CZ-CE1 4.02Å; H108-Y121 VanDerWaalsContact CB-OH 3.29Å; H108-Y121 WeakPolarHBondContact CB-OH 3.39Å; L114-Y121 HydrophobicContact CD2-CE2 4.4Å; M117-Y121 HydrophobicContact CB-CD2 3.98Å; M117-Y121 HydrophobicContact CB-CE1 4Å; M117-Y121 HydrophobicContact CB-CE2 3.33Å; M117-Y121 HydrophobicContact CE-CE1 3.73Å; M117-Y121 HydrophobicContact CG-CE2 4.39Å; M117-Y121 WeakPolarHBondContact O-CD2 3.32Å; M117-Y121 VanDerWaalsContact O-CG 3.29Å; M117-Y121 PolarHBondContact O-N 3.01Å; C118-Y121 PolarHBondContact O-N 3.22Å; S119-Y121 VanDerWaalsContact C-N 3.33Å; S119-Y121 PolarHBondContact O-N 2.75Å; Y121-L124 PolarHBondContact O-N 3.37Å; Y121-G125 PolarHBondContact O-N 3.22Å; Y121-V132 HydrophobicContact CD1-CG1 4.16Å; Y121-V132 HydrophobicContact CD2-CG1 4.38Å; Y121-V132 HydrophobicContact CG-CG1 3.89Å; Y121-S134 VanDerWaalsContact CE2-CB 3.42Å; Y121-S134 WeakPolarHBondContact CE2-OG 3.47Å; Y121-S134 PolarHBondContact OH-OG 3.24Å
122	Y	97.5	Very high	97	Very high	32 Å²	32	22.9 Å²	22.9	13%	0.125	12%	0.119	C	C	.	.	H	α-helix	trans	-63.2	-50.1	177.7	-171	-100.3	0	0	0	110.6	W66 F68 E72 L94 C96 C118 S119 F120 L124 G125 I126	W66-Y122 HydrophobicContact CH2-CD1 4.21Å; W66-Y122 HydrophobicContact CH2-CD2 4.19Å; W66-Y122 AromaticContact CH2-CG 3.74Å; W66-Y122 HydrophobicContact CH2-CG 3.74Å; W66-Y122 HydrophobicContact CZ2-CD1 4.46Å; W66-Y122 HydrophobicContact CZ2-CG 4.36Å; F68-Y122 HydrophobicContact CB-CD1 4.28Å; F68-Y122 HydrophobicContact CB-CE1 4.27Å; F68-Y122 AromaticContact CD1-CD1 3.56Å; F68-Y122 HydrophobicContact CD1-CD1 3.56Å; F68-Y122 AromaticContact CD1-CE1 3.63Å; F68-Y122 HydrophobicContact CD1-CE1 3.63Å; F68-Y122 AromaticContact CD2-CD1 3.58Å; F68-Y122 HydrophobicContact CD2-CD1 3.58Å; F68-Y122 HydrophobicContact CD2-CE1 4.35Å; F68-Y122 HydrophobicContact CD2-CG 4.35Å; F68-Y122 AromaticContact CE1-CD1 3.67Å; F68-Y122 HydrophobicContact CE1-CD1 3.67Å; F68-Y122 HydrophobicContact CE1-CE1 4.01Å; F68-Y122 AromaticContact CE2-CD1 3.7Å; F68-Y122 HydrophobicContact CE2-CD1 3.7Å; F68-Y122 HydrophobicContact CE2-CG 4.4Å; F68-Y122 AromaticContact CG-CD1 3.51Å; F68-Y122 HydrophobicContact CG-CD1 3.51Å; F68-Y122 AromaticContact CG-CE1 3.82Å; F68-Y122 HydrophobicContact CG-CE1 3.82Å; F68-Y122 AromaticContact CZ-CD1 3.75Å; F68-Y122 HydrophobicContact CZ-CD1 3.75Å; E72-Y122 HydrophobicContact CB-CE1 4.24Å; E72-Y122 HydrophobicContact CB-CE2 4.2Å; E72-Y122 HydrophobicContact CG-CE1 4.04Å; E72-Y122 HydrophobicContact CG-CE2 4.26Å; E72-Y122 WeakPolarHBondContact CG-OH 3.38Å; L94-Y122 HydrophobicContact CD2-CD2 4.26Å; C96-Y122 HydrophobicContact CB-CD2 4.45Å; C96-Y122 HydrophobicContact CB-CE2 4.41Å; C118-Y122 PolarHBondContact O-N 2.95Å; S119-Y122 PolarHBondContact O-N 3.17Å; F120-Y122 PolarHBondContact O-N 3.32Å; Y122-L124 VanDerWaalsContact C-N 3.33Å; Y122-L124 PolarHBondContact O-N 2.7Å; Y122-G125 PolarHBondContact O-N 3.12Å; Y122-I126 HydrophobicContact CD1-CG2 4.39Å; Y122-I126 HydrophobicContact CE1-CG2 3.95Å; Y122-I126 HydrophobicContact CE2-CG2 4.38Å; Y122-I126 WeakPolarHBondContact O-CG1 3.07Å; Y122-I126 WeakPolarHBondContact O-CG2 3.29Å; Y122-I126 PolarHBondContact O-N 3.08Å
123	G	96.8	Very high	97.2	Very high	4 Å²	4	21.4 Å²	21.4	4%	0.041	11%	0.11	C	C	.	.	H	α-helix	trans	-61.2	-36.6	177.6	0	0	0	0	0	113.8	S119 F120 I126 R127	S119-G123 PolarHBondContact O-N 3.16Å; F120-G123 PolarHBondContact O-N 2.67Å; G123-I126 WeakPolarHBondContact O-CG1 3.46Å; G123-R127 VanDerWaalsContact O-CG 3.32Å; G123-R127 WeakPolarHBondContact O-CG 3.37Å; G123-R127 PolarHBondContact O-N 2.8Å; G123-R127 PolarHBondContact O-NE 2.86Å
124	L	97.4	Very high	97.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-66.3	-54.7	173.6	-178.5	62.8	0	0	0	110.5	F106 F120 Y121 Y122 I126 R127 I128 Y283 L284 L287	F106-L124 HydrophobicContact CE2-CD2 4.14Å; F120-L124 HydrophobicContact CE1-CD2 3.97Å; F120-L124 HydrophobicContact CZ-CD2 4.05Å; F120-L124 VanDerWaalsContact O-CB 3.24Å; F120-L124 WeakPolarHBondContact O-CB 3.45Å; F120-L124 PolarHBondContact O-N 2.95Å; Y121-L124 PolarHBondContact O-N 3.37Å; Y122-L124 VanDerWaalsContact C-N 3.33Å; Y122-L124 PolarHBondContact O-N 2.7Å; L124-I126 VanDerWaalsContact C-N 3.33Å; L124-I126 PolarHBondContact O-N 3.49Å; L124-R127 PolarHBondContact O-N 2.85Å; L124-I128 HydrophobicContact CD1-CD1 3.86Å; L124-I128 HydrophobicContact CD1-CG2 4.22Å; L124-I128 HydrophobicContact CD2-CD1 4.34Å; L124-I128 HydrophobicContact CG-CD1 3.73Å; L124-I128 WeakPolarHBondContact O-CG1 3.29Å; L124-I128 PolarHBondContact O-N 3.28Å; L124-I128 VanDerWaalsContact O-N 3.09Å; L124-Y283 HydrophobicContact CD1-CE1 4.04Å; L124-L284 HydrophobicContact CD1-CD2 4.1Å; L124-L287 HydrophobicContact CD1-CD1 3.93Å
125	G	97.7	Very high	97.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-57.1	-40.8	-175.9	0	0	0	0	0	113.6	Y121 Y122 R127 G129 C130	Y121-G125 PolarHBondContact O-N 3.22Å; Y122-G125 PolarHBondContact O-N 3.12Å; G125-R127 VanDerWaalsContact C-N 3.34Å; G125-R127 PolarHBondContact O-N 2.85Å; G125-G129 PolarHBondContact O-N 3.27Å; G125-C130 CarbonylContact C-O 3.35Å; G125-C130 WeakPolarHBondContact CA-O 3.47Å; G125-C130 PolarHBondContact O-N 3.08Å; G125-C130 VanDerWaalsContact O-O 3.13Å
126	I	97.1	Very high	97.4	Very high	72 Å²	72	21.3 Å²	21.3	37%	0.369	11%	0.109	S	C	.	.	H	α-helix	trans	-65.4	-35.7	174.9	64.3	178.5	0	0	0	112.5	F68 C96 Y122 G123 L124	F68-I126 HydrophobicContact CE1-CD1 3.97Å; C96-I126 HydrophobicContact CB-CG2 4.02Å; Y122-I126 HydrophobicContact CD1-CG2 4.39Å; Y122-I126 HydrophobicContact CE1-CG2 3.95Å; Y122-I126 HydrophobicContact CE2-CG2 4.38Å; Y122-I126 WeakPolarHBondContact O-CG1 3.07Å; Y122-I126 WeakPolarHBondContact O-CG2 3.29Å; Y122-I126 PolarHBondContact O-N 3.08Å; G123-I126 WeakPolarHBondContact O-CG1 3.46Å; L124-I126 VanDerWaalsContact C-N 3.33Å; L124-I126 PolarHBondContact O-N 3.49Å
127	R	96.7	Very high	97.6	Very high	110 Å²	110	17.5 Å²	17.5	42%	0.415	9%	0.091	S	C	.	.	H	α-helix	trans	-78.9	-25.1	-174.9	-76.3	-179.4	-65.5	-163.6	1.4	113	G123 L124 G125 L284 R288	G123-R127 VanDerWaalsContact O-CG 3.32Å; G123-R127 WeakPolarHBondContact O-CG 3.37Å; G123-R127 PolarHBondContact O-N 2.8Å; G123-R127 PolarHBondContact O-NE 2.86Å; L124-R127 PolarHBondContact O-N 2.85Å; G125-R127 VanDerWaalsContact C-N 3.34Å; G125-R127 PolarHBondContact O-N 2.85Å; R127-L284 HydrophobicContact CB-CD2 4.15Å; R127-R288 VanDerWaalsContact O-CZ 3.32Å; R127-R288 PolarHBondContact O-NE 2.64Å; R127-R288 PolarHBondContact O-NH2 3.37Å
128	I	96.3	Very high	97.7	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.01	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115	12.5	-179.3	72.8	-173.8	0	0	0	113.2	I104 L124 C130 L284 L287 R288 I291	I104-I128 HydrophobicContact CD1-CD1 3.44Å; I104-I128 VanDerWaalsContact CD1-CD1 3.44Å; I104-I128 HydrophobicContact CD1-CG1 4.45Å; L124-I128 HydrophobicContact CD1-CD1 3.86Å; L124-I128 HydrophobicContact CD1-CG2 4.22Å; L124-I128 HydrophobicContact CD2-CD1 4.34Å; L124-I128 HydrophobicContact CG-CD1 3.73Å; L124-I128 WeakPolarHBondContact O-CG1 3.29Å; L124-I128 PolarHBondContact O-N 3.28Å; L124-I128 VanDerWaalsContact O-N 3.09Å; I128-C130 VanDerWaalsContact C-N 3.32Å; I128-C130 HydrophobicContact CG1-CB 4.08Å; I128-C130 PolarHBondContact O-N 3.44Å; I128-C130 PolarHBondContact O-SG 2.92Å; I128-L284 HydrophobicContact CG2-CD2 4.24Å; I128-L287 HydrophobicContact CG2-CB 4.05Å; I128-L287 HydrophobicContact CG2-CD1 4.45Å; I128-R288 HydrophobicContact CG2-CG 4.35Å; I128-I291 HydrophobicContact CB-CD1 4.24Å; I128-I291 HydrophobicContact CD1-CD1 3.83Å; I128-I291 HydrophobicContact CG1-CD1 4.2Å
129	G	96.9	Very high	97.7	Very high	35 Å²	35	17.8 Å²	17.8	36%	0.361	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	24.4	172.2	0	0	0	0	0	115.6	G125	G125-G129 PolarHBondContact O-N 3.27Å
130	C	98.3	Very high	97.8	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.007	9%	0.092	C	C	.	.			trans	-119.5	151	-174.6	-70.6	0	0	0	0	112.2	C96 I104 G125 I128	C96-C130 WeakPolarHBondContact CB-O 3.31Å; I104-C130 HydrophobicContact CD1-CB 4.03Å; I104-C130 HydrophobicContact CG1-CB 4.18Å; G125-C130 CarbonylContact C-O 3.35Å; G125-C130 WeakPolarHBondContact CA-O 3.47Å; G125-C130 PolarHBondContact O-N 3.08Å; G125-C130 VanDerWaalsContact O-O 3.13Å; I128-C130 VanDerWaalsContact C-N 3.32Å; I128-C130 HydrophobicContact CG1-CB 4.08Å; I128-C130 PolarHBondContact O-N 3.44Å; I128-C130 PolarHBondContact O-SG 2.92Å
131	N	98.4	Very high	97.8	Very high	24 Å²	24	15.2 Å²	15.2	13%	0.128	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	158.7	160.4	-67	-29.7	0	0	0	109.2	L94 C95 C96 C97 A100 Y102 T103 I104	L94-N131 WeakPolarHBondContact O-CA 3.45Å; L94-N131 WeakPolarHBondContact O-CB 3.41Å; C95-N131 WeakPolarHBondContact CA-OD1 3.25Å; C96-N131 PolarHBondContact N-OD1 2.76Å; C96-N131 VanDerWaalsContact N-OD1 3.09Å; C97-N131 PolarHBondContact N-OD1 2.93Å; C97-N131 PolarHBondContact O-OD1 3.17Å; A100-N131 HydrophobicContact CB-CB 4.39Å; Y102-N131 PolarHBondContact O-N 3.5Å; T103-N131 CarbonylContact C-O 3.59Å; T103-N131 WeakPolarHBondContact CA-O 3.41Å; T103-N131 HydrophobicContact CG2-CB 3.98Å; I104-N131 PolarHBondContact N-O 2.96Å
132	V	98.7	Very high	97.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.3	177.1	-177.6	0	0	0	0	109.4	L94 I104 F106 Y121	L94-V132 HydrophobicContact CD1-CB 4.05Å; L94-V132 HydrophobicContact CD1-CG1 4.25Å; L94-V132 VanDerWaalsContact CD1-O 3.31Å; L94-V132 WeakPolarHBondContact CD1-O 3.13Å; L94-V132 PolarHBondContact N-O 2.89Å; L94-V132 PolarHBondContact O-N 2.77Å; I104-V132 HydrophobicContact CB-CG2 4.45Å; F106-V132 HydrophobicContact CB-CG1 4.23Å; Y121-V132 HydrophobicContact CD1-CG1 4.16Å; Y121-V132 HydrophobicContact CD2-CG1 4.38Å; Y121-V132 HydrophobicContact CG-CG1 3.89Å
133	F	98.8	Very high	97.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130.4	170	-173.8	-86.2	0	0	0	108.2	C91 M92 N93 T103 I104 L105 F106 A159 T162 L163 F167	C91-F133 HydrophobicContact CB-CE1 3.94Å; C91-F133 HydrophobicContact CB-CE2 4.05Å; C91-F133 HydrophobicContact CB-CZ 3.39Å; M92-F133 CarbonylContact O-C 3.53Å; M92-F133 VanDerWaalsContact O-CA 3.29Å; M92-F133 WeakPolarHBondContact O-CA 3.33Å; M92-F133 WeakPolarHBondContact O-CD2 3.44Å; N93-F133 HydrophobicContact CB-CD2 3.78Å; N93-F133 HydrophobicContact CB-CE2 4.23Å; T103-F133 HydrophobicContact CG2-CB 3.96Å; I104-F133 PolarHBondContact O-N 2.8Å; L105-F133 CarbonylContact C-O 3.6Å; L105-F133 VanDerWaalsContact CA-O 3.3Å; L105-F133 WeakPolarHBondContact CA-O 3.37Å; L105-F133 HydrophobicContact CD1-CD1 3.61Å; L105-F133 HydrophobicContact CD1-CE1 4.2Å; F106-F133 PolarHBondContact N-O 3.5Å; F133-A159 HydrophobicContact CE1-CB 4.04Å; F133-T162 HydrophobicContact CE2-CG2 4.43Å; F133-T162 HydrophobicContact CZ-CG2 3.94Å; F133-L163 HydrophobicContact CB-CD1 3.79Å; F133-L163 HydrophobicContact CB-CD2 4.11Å; F133-L163 HydrophobicContact CD1-CB 4.38Å; F133-L163 HydrophobicContact CD1-CD2 4.49Å; F133-L163 HydrophobicContact CD2-CD1 3.81Å; F133-L163 HydrophobicContact CE1-CB 4.46Å; F133-L163 HydrophobicContact CG-CB 4.43Å; F133-L163 HydrophobicContact CG-CD1 3.78Å; F133-L163 HydrophobicContact CG-CD2 4.34Å; F133-L163 HydrophobicContact CG-CG 4.4Å; F133-F167 HydrophobicContact CD2-CD2 4.26Å; F133-F167 HydrophobicContact CD2-CE2 4.21Å; F133-F167 AromaticContact CE2-CD2 3.8Å; F133-F167 HydrophobicContact CE2-CD2 3.8Å; F133-F167 AromaticContact CE2-CE2 3.48Å; F133-F167 HydrophobicContact CE2-CE2 3.48Å; F133-F167 VanDerWaalsContact CE2-CE2 3.48Å; F133-F167 HydrophobicContact CE2-CZ 4.28Å; F133-F167 HydrophobicContact CZ-CE2 4.39Å
134	S	98.8	Very high	97.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	165	179.5	-174	0	0	0	0	109.7	C91 M92 F106 L114 Y121	C91-S134 CarbonylContact C-O 3.52Å; C91-S134 VanDerWaalsContact CA-O 3.27Å; C91-S134 WeakPolarHBondContact CA-O 3.33Å; M92-S134 PolarHBondContact N-O 2.88Å; M92-S134 PolarHBondContact O-N 3.05Å; F106-S134 PolarHBondContact O-OG 3.11Å; L114-S134 VanDerWaalsContact CD2-OG 3.26Å; L114-S134 WeakPolarHBondContact CD2-OG 3.3Å; Y121-S134 VanDerWaalsContact CE2-CB 3.42Å; Y121-S134 WeakPolarHBondContact CE2-OG 3.47Å; Y121-S134 PolarHBondContact OH-OG 3.24Å
135	Y	98.9	Very high	97.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	149.6	179.6	63.6	-74.8	0	0	0	109.9	I89 A90 L105 S107 H108 Y137 D155 I156 A159	I89-Y135 HydrophobicContact CG2-CD2 4.06Å; I89-Y135 HydrophobicContact CG2-CG 4.5Å; A90-Y135 CarbonylContact O-C 3.55Å; A90-Y135 VanDerWaalsContact O-CA 3.23Å; A90-Y135 WeakPolarHBondContact O-CA 3.31Å; L105-Y135 HydrophobicContact CD1-CD1 3.83Å; L105-Y135 HydrophobicContact CD1-CE1 3.92Å; S107-Y135 PolarHBondContact OG-OH 3.25Å; H108-Y135 PolarHBondContact CD2-O 2.96Å; H108-Y135 PolarHBondContact NE2-O 3.43Å; Y135-Y137 HydrophobicContact CD2-CD1 4.34Å; Y135-Y137 AromaticContact CE2-CD1 3.7Å; Y135-Y137 HydrophobicContact CE2-CD1 3.7Å; Y135-Y137 AromaticContact CE2-CE1 3.73Å; Y135-Y137 HydrophobicContact CE2-CE1 3.73Å; Y135-Y137 AromaticContact CZ-CE1 3.89Å; Y135-D155 HydrophobicContact CD2-CB 4.15Å; Y135-D155 HydrophobicContact CE2-CB 3.86Å; Y135-I156 HydrophobicContact CE1-CB 4.46Å; Y135-I156 HydrophobicContact CE1-CG1 4.13Å; Y135-I156 HydrophobicContact CE2-CB 4.36Å; Y135-I156 VanDerWaalsContact OH-CB 3.25Å; Y135-I156 WeakPolarHBondContact OH-CB 3.48Å; Y135-I156 WeakPolarHBondContact OH-CG1 3.42Å; Y135-A159 HydrophobicContact CD1-CB 3.47Å; Y135-A159 VanDerWaalsContact CD1-CB 3.47Å; Y135-A159 HydrophobicContact CD2-CB 4.19Å; Y135-A159 HydrophobicContact CE1-CB 4Å; Y135-A159 HydrophobicContact CG-CB 3.61Å
136	D	98.7	Very high	97.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-85.9	136.2	170.8	-89.3	-31.1	0	0	0	110.1	Y42 I89 A90 H108 D113 L114 G141 S143	Y42-D136 VanDerWaalsContact CE1-OD2 3.26Å; Y42-D136 WeakPolarHBondContact CE1-OD2 3.22Å; Y42-D136 PolarHBondContact OH-OD2 2.81Å; I89-D136 VanDerWaalsContact CG2-O 3.24Å; I89-D136 WeakPolarHBondContact CG2-O 3.41Å; A90-D136 PolarHBondContact O-N 3.2Å; H108-D136 IonicContact NE2-OD1 3.08Å; H108-D136 PolarHBondContact NE2-OD1 3.23Å; D113-D136 VanDerWaalsContact CA-OD1 3.26Å; D113-D136 WeakPolarHBondContact CA-OD1 3.37Å; D113-D136 WeakPolarHBondContact CB-OD1 3.29Å; L114-D136 HydrophobicContact CD1-CB 4.37Å; L114-D136 HydrophobicContact CG-CB 4.29Å; L114-D136 PolarHBondContact N-OD1 3.47Å; D136-G141 WeakPolarHBondContact OD2-CA 3.28Å; D136-S143 WeakPolarHBondContact CB-OG 3.43Å; D136-S143 PolarHBondContact O-OG 3Å
137	Y	98.6	Very high	97.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-59.8	158	173	-51.5	-42.9	0	0	0	112.5	S107 H108 Y135 G139 Y140 S143 L152 I181 G182	S107-Y137 VanDerWaalsContact C-OH 3.28Å; H108-Y137 AromaticContact CE1-CD2 3.49Å; H108-Y137 VanDerWaalsContact CE1-CD2 3.49Å; H108-Y137 WeakPolarHBondContact CE1-CD2 3.21Å; H108-Y137 AromaticContact CE1-CE2 3.43Å; H108-Y137 VanDerWaalsContact CE1-CE2 3.43Å; H108-Y137 WeakPolarHBondContact CE1-CE2 3.29Å; H108-Y137 PolarHBondContact N-OH 2.72Å; H108-Y137 AromaticContact ND1-CE2 3.65Å; H108-Y137 AromaticContact NE2-CD2 3.86Å; H108-Y137 AromaticContact NE2-CE2 3.86Å; H108-Y137 PolarHBondContact O-OH 2.87Å; Y135-Y137 HydrophobicContact CD2-CD1 4.34Å; Y135-Y137 AromaticContact CE2-CD1 3.7Å; Y135-Y137 HydrophobicContact CE2-CD1 3.7Å; Y135-Y137 AromaticContact CE2-CE1 3.73Å; Y135-Y137 HydrophobicContact CE2-CE1 3.73Å; Y135-Y137 AromaticContact CZ-CE1 3.89Å; Y137-G139 PolarHBondContact O-N 3.45Å; Y137-G139 VanDerWaalsContact O-N 3.08Å; Y137-Y140 HydrophobicContact CD2-CD1 4.47Å; Y137-Y140 HydrophobicContact CD2-CD2 4.28Å; Y137-Y140 HydrophobicContact CD2-CE1 4.38Å; Y137-Y140 HydrophobicContact CD2-CE2 4.19Å; Y137-Y140 HydrophobicContact CD2-CG 4.43Å; Y137-Y140 HydrophobicContact CG-CD2 4.49Å; Y137-Y140 WeakPolarHBondContact O-CB 3.4Å; Y137-Y140 PolarHBondContact O-N 2.92Å; Y137-S143 WeakPolarHBondContact O-CB 3.41Å; Y137-L152 HydrophobicContact CD1-CD2 3.47Å; Y137-L152 VanDerWaalsContact CD1-CD2 3.47Å; Y137-L152 HydrophobicContact CD2-CD2 3.85Å; Y137-L152 HydrophobicContact CE1-CD2 3.84Å; Y137-L152 HydrophobicContact CE2-CD2 4.16Å; Y137-L152 HydrophobicContact CG-CD2 3.48Å; Y137-L152 VanDerWaalsContact CG-CD2 3.48Å; Y137-I181 HydrophobicContact CE2-CG2 4.47Å; Y137-G182 WeakPolarHBondContact OH-CA 3.49Å
138	S	98.5	Very high	97.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	119.8	171.7	-67.7	0	0	0	0	110.8	N87 T144 K146 P147 D155	N87-S138 PolarHBondContact ND2-OG 2.73Å; S138-T144 WeakPolarHBondContact CA-O 3.36Å; S138-K146 CarbonylContact O-C 3.49Å; S138-P147 WeakPolarHBondContact O-CA 3.46Å; S138-P147 WeakPolarHBondContact O-CB 3.25Å; S138-P147 WeakPolarHBondContact O-CD 3.46Å; S138-D155 WeakPolarHBondContact CB-OD2 3.32Å; S138-D155 PolarHBondContact N-OD2 3.14Å; S138-D155 VanDerWaalsContact OG-CG 3.22Å; S138-D155 PolarHBondContact OG-OD1 2.85Å; S138-D155 PolarHBondContact OG-OD2 3.06Å
139	G	97.6	Very high	97.7	Very high	26 Å²	26	23.4 Å²	23.4	27%	0.268	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	6.7	-176.6	0	0	0	0	0	116.2	P37 Y137 T144	P37-G139 WeakPolarHBondContact CB-O 3.35Å; Y137-G139 PolarHBondContact O-N 3.45Å; Y137-G139 VanDerWaalsContact O-N 3.08Å; G139-T144 PolarHBondContact N-O 3.33Å; G139-T144 VanDerWaalsContact N-O 3.16Å
140	Y	98	Very high	97.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-104.1	148.7	171	-76.2	-116.9	0	0	0	110.5	F35 M36 P37 H108 N110 V112 Y137 C142 S143 P147	F35-Y140 WeakPolarHBondContact CA-OH 3.34Å; F35-Y140 HydrophobicContact CB-CE2 4.35Å; F35-Y140 HydrophobicContact CD1-CE2 4.45Å; M36-Y140 PolarHBondContact N-OH 3.29Å; P37-Y140 HydrophobicContact CB-CD1 3.94Å; P37-Y140 HydrophobicContact CB-CD2 3.73Å; P37-Y140 HydrophobicContact CB-CE1 3.99Å; P37-Y140 HydrophobicContact CB-CE2 3.76Å; P37-Y140 HydrophobicContact CB-CG 3.81Å; P37-Y140 HydrophobicContact CG-CD2 4.47Å; P37-Y140 HydrophobicContact CG-CE2 4.21Å; H108-Y140 AromaticContact CE1-CD1 3.71Å; N110-Y140 PolarHBondContact OD1-OH 3.1Å; V112-Y140 VanDerWaalsContact O-CD1 3.31Å; V112-Y140 WeakPolarHBondContact O-CD1 3.46Å; Y137-Y140 HydrophobicContact CD2-CD1 4.47Å; Y137-Y140 HydrophobicContact CD2-CD2 4.28Å; Y137-Y140 HydrophobicContact CD2-CE1 4.38Å; Y137-Y140 HydrophobicContact CD2-CE2 4.19Å; Y137-Y140 HydrophobicContact CD2-CG 4.43Å; Y137-Y140 HydrophobicContact CG-CD2 4.49Å; Y137-Y140 WeakPolarHBondContact O-CB 3.4Å; Y137-Y140 PolarHBondContact O-N 2.92Å; Y140-C142 PolarHBondContact O-N 2.79Å; Y140-S143 WeakPolarHBondContact O-CA 3.29Å; Y140-S143 WeakPolarHBondContact O-CB 3.44Å; Y140-S143 PolarHBondContact O-N 2.83Å; Y140-P147 HydrophobicContact CD2-CB 4.43Å; Y140-P147 HydrophobicContact CE2-CB 3.86Å; Y140-P147 HydrophobicContact CE2-CG 4.29Å
141	G	96.9	Very high	97.6	Very high	13 Å²	13	29.2 Å²	29.2	13%	0.134	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	46	-124.1	176.6	0	0	0	0	0	113.5	P40 D136	P40-G141 WeakPolarHBondContact CG-O 3.13Å; D136-G141 WeakPolarHBondContact OD2-CA 3.28Å
142	C	97.2	Very high	97.6	Very high	27 Å²	27	28.1 Å²	28.1	18%	0.182	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	3.4	177.1	-69.6	0	0	0	0	114.3	Y42 L44 Y80 A90 Y140	Y42-C142 HydrophobicContact CE2-CB 4.15Å; Y42-C142 WeakPolarHBondContact OH-CB 3.46Å; Y42-C142 PolarHBondContact OH-N 3.13Å; L44-C142 HydrophobicContact CD1-CB 4.18Å; L44-C142 HydrophobicContact CG-CB 4.46Å; Y80-C142 HydrophobicContact CE1-CB 4.31Å; A90-C142 HydrophobicContact CB-CB 4.01Å; Y140-C142 PolarHBondContact O-N 2.79Å
143	S	98.5	Very high	97.6	Very high	10 Å²	10	29.8 Å²	29.8	7%	0.07	17%	0.168	C	C	.	.			trans	-75.3	141.5	176	-68.3	0	0	0	0	111.6	R88 I89 A90 D136 Y137 Y140	R88-S143 WeakPolarHBondContact O-CA 3.5Å; I89-S143 WeakPolarHBondContact CA-OG 3.47Å; A90-S143 PolarHBondContact N-OG 3.48Å; D136-S143 WeakPolarHBondContact CB-OG 3.43Å; D136-S143 PolarHBondContact O-OG 3Å; Y137-S143 WeakPolarHBondContact O-CB 3.41Å; Y140-S143 WeakPolarHBondContact O-CA 3.29Å; Y140-S143 WeakPolarHBondContact O-CB 3.44Å; Y140-S143 PolarHBondContact O-N 2.83Å
144	T	98.4	Very high	97.6	Very high	45 Å²	45	30 Å²	30	28%	0.276	17%	0.17	S	C	.	.			trans	-88.4	173.1	177	57.4	0	0	0	0	112.1	R88 S138 G139	R88-T144 HydrophobicContact CB-CG2 4.23Å; R88-T144 PolarHBondContact N-OG1 3.44Å; R88-T144 PolarHBondContact O-N 3.33Å; R88-T144 PolarHBondContact O-OG1 3.32Å; R88-T144 VanDerWaalsContact O-OG1 3.11Å; S138-T144 WeakPolarHBondContact CA-O 3.36Å; G139-T144 PolarHBondContact N-O 3.33Å; G139-T144 VanDerWaalsContact N-O 3.16Å
145	G	97.4	Very high	97.6	Very high	42 Å²	42	30 Å²	30	43%	0.433	17%	0.17	S	C	.	.	S	Bend	trans	91.9	-152.3	176.7	0	0	0	0	0	112.5	N87	N87-G145 WeakPolarHBondContact OD1-CA 3.42Å
146	K	96.4	Very high	97.6	Very high	164 Å²	164	30 Å²	30	71%	0.713	17%	0.17	S	C	*	.			trans	-137.8	146.8	179.7	-66	-177.3	-179.3	179.7	0	109.3	S138 S148 N151	S138-K146 CarbonylContact O-C 3.49Å; K146-S148 PolarHBondContact O-N 3.3Å; K146-N151 PolarHBondContact O-ND2 2.74Å
147	P	95.5	Very high	97.6	Very high	31 Å²	31	33.3 Å²	33.3	20%	0.201	19%	0.187	C	C	.	.			trans	-71.7	137	179.1	29.8	-35.5	0	0	0	110.7	F35 S138 Y140	F35-P147 HydrophobicContact CB-CB 3.63Å; F35-P147 HydrophobicContact CB-CG 3.63Å; F35-P147 HydrophobicContact CD1-CB 3.98Å; F35-P147 HydrophobicContact CD2-CB 3.74Å; F35-P147 HydrophobicContact CD2-CG 4.25Å; F35-P147 HydrophobicContact CE2-CB 4.39Å; F35-P147 HydrophobicContact CG-CB 3.52Å; F35-P147 HydrophobicContact CG-CG 4.05Å; S138-P147 WeakPolarHBondContact O-CA 3.46Å; S138-P147 WeakPolarHBondContact O-CB 3.25Å; S138-P147 WeakPolarHBondContact O-CD 3.46Å; Y140-P147 HydrophobicContact CD2-CB 4.43Å; Y140-P147 HydrophobicContact CE2-CB 3.86Å; Y140-P147 HydrophobicContact CE2-CG 4.29Å
148	S	95.2	Very high	97.6	Very high	26 Å²	26	33.8 Å²	33.8	18%	0.182	19%	0.19	C	C	.	.			trans	-163.5	157.4	174.7	66.8	0	0	0	0	109.5	K146 K150 N151 L152	K146-S148 PolarHBondContact O-N 3.3Å; S148-K150 VanDerWaalsContact C-N 3.28Å; S148-K150 PolarHBondContact O-N 2.9Å; S148-N151 WeakPolarHBondContact O-CA 3.43Å; S148-N151 PolarHBondContact O-N 2.88Å; S148-N151 WeakPolarHBondContact OG-CB 3.25Å; S148-N151 PolarHBondContact OG-N 3.15Å; S148-N151 PolarHBondContact OG-ND2 3.12Å; S148-L152 PolarHBondContact O-N 3.42Å
149	E	95.2	Very high	97.7	Very high	47 Å²	47	33.8 Å²	33.8	22%	0.22	19%	0.19	C	C	.	.	H	α-helix	trans	-50.7	-46.9	175.3	180	169.7	178	0	0	112.9	N151 L152 Y153 F224 P225	E149-N151 VanDerWaalsContact C-N 3.26Å; E149-N151 PolarHBondContact O-N 2.76Å; E149-L152 WeakPolarHBondContact O-CB 3.36Å; E149-L152 PolarHBondContact O-N 3.43Å; E149-Y153 HydrophobicContact CG-CD2 4.2Å; E149-Y153 HydrophobicContact CG-CE1 4.49Å; E149-Y153 HydrophobicContact CG-CE2 3.34Å; E149-Y153 WeakPolarHBondContact CG-OH 3.42Å; E149-Y153 WeakPolarHBondContact O-CD2 3.45Å; E149-Y153 PolarHBondContact O-N 2.99Å; E149-Y153 WeakPolarHBondContact OE1-CE2 3.32Å; E149-Y153 PolarHBondContact OE1-OH 3.44Å; E149-F224 HydrophobicContact CB-CD1 3.79Å; E149-F224 HydrophobicContact CB-CE1 3.5Å; E149-F224 VanDerWaalsContact CB-CE1 3.5Å; E149-F224 VanDerWaalsContact CD-N 3.29Å; E149-F224 HydrophobicContact CG-CD1 3.65Å; E149-F224 HydrophobicContact CG-CE1 3.92Å; E149-F224 WeakPolarHBondContact OE1-CA 3.49Å; E149-F224 PolarHBondContact OE1-N 3.31Å; E149-F224 PolarHBondContact OE2-N 3.33Å; E149-P225 WeakPolarHBondContact OE1-CD 3.25Å
150	K	96.8	Very high	97.7	Very high	147 Å²	147	32.6 Å²	32.6	64%	0.639	18%	0.178	S	C	*	.	H	α-helix	trans	-64.3	-32.3	179.2	-66.5	-178.5	-179.3	177.5	0	112.6	R85 S148 A154	R85-K150 WeakPolarHBondContact CD-O 3.29Å; S148-K150 VanDerWaalsContact C-N 3.28Å; S148-K150 PolarHBondContact O-N 2.9Å; K150-A154 PolarHBondContact O-N 2.92Å
151	N	98.2	Very high	97.7	Very high	11 Å²	11	35.4 Å²	35.4	6%	0.059	19%	0.193	C	C	.	.	H	α-helix	trans	-74.3	-41.6	175.4	-75.1	-21.4	0	0	0	111.1	R85 N87 K146 S148 E149 Y153 A154 D155	R85-N151 WeakPolarHBondContact CD-OD1 3.37Å; R85-N151 PolarHBondContact NE-OD1 2.93Å; N87-N151 PolarHBondContact ND2-OD1 2.82Å; K146-N151 PolarHBondContact O-ND2 2.74Å; S148-N151 WeakPolarHBondContact O-CA 3.43Å; S148-N151 PolarHBondContact O-N 2.88Å; S148-N151 WeakPolarHBondContact OG-CB 3.25Å; S148-N151 PolarHBondContact OG-N 3.15Å; S148-N151 PolarHBondContact OG-ND2 3.12Å; E149-N151 VanDerWaalsContact C-N 3.26Å; E149-N151 PolarHBondContact O-N 2.76Å; N151-Y153 PolarHBondContact O-N 3.43Å; N151-A154 CarbonylContact O-C 3.58Å; N151-A154 PolarHBondContact O-N 3.14Å; N151-D155 VanDerWaalsContact O-CB 3.29Å; N151-D155 WeakPolarHBondContact O-CB 3.49Å; N151-D155 PolarHBondContact O-N 2.81Å; N151-D155 VanDerWaalsContact O-OD2 3.11Å
152	L	98.1	Very high	97.8	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-50.4	-46	174.5	-69.2	-177.5	0	0	0	112.2	F35 Y137 S148 E149 D155 I156 I181 V184 P185 F224	F35-L152 HydrophobicContact CE1-CD1 3.69Å; F35-L152 HydrophobicContact CE1-CD2 3.95Å; F35-L152 HydrophobicContact CE1-CG 3.95Å; F35-L152 HydrophobicContact CZ-CD1 3.65Å; F35-L152 HydrophobicContact CZ-CD2 4.42Å; F35-L152 HydrophobicContact CZ-CG 3.93Å; Y137-L152 HydrophobicContact CD1-CD2 3.47Å; Y137-L152 VanDerWaalsContact CD1-CD2 3.47Å; Y137-L152 HydrophobicContact CD2-CD2 3.85Å; Y137-L152 HydrophobicContact CE1-CD2 3.84Å; Y137-L152 HydrophobicContact CE2-CD2 4.16Å; Y137-L152 HydrophobicContact CG-CD2 3.48Å; Y137-L152 VanDerWaalsContact CG-CD2 3.48Å; S148-L152 PolarHBondContact O-N 3.42Å; E149-L152 WeakPolarHBondContact O-CB 3.36Å; E149-L152 PolarHBondContact O-N 3.43Å; L152-D155 PolarHBondContact O-N 2.91Å; L152-I156 PolarHBondContact O-N 2.85Å; L152-I156 VanDerWaalsContact O-N 3.1Å; L152-I181 HydrophobicContact CD1-CG1 4.46Å; L152-V184 HydrophobicContact CD1-CG1 4.4Å; L152-P185 HydrophobicContact CB-CB 4.15Å; L152-P185 HydrophobicContact CB-CG 4.27Å; L152-F224 HydrophobicContact CD1-CE1 4.16Å
153	Y	98.6	Very high	97.9	Very high	35 Å²	35	34.2 Å²	34.2	14%	0.137	18%	0.182	C	C	.	.	H	α-helix	trans	-66.8	-39.3	177.9	-55.5	-34.2	0	0	0	113.2	E149 N151 I156 L157 V184 D188 K229	E149-Y153 HydrophobicContact CG-CD2 4.2Å; E149-Y153 HydrophobicContact CG-CE1 4.49Å; E149-Y153 HydrophobicContact CG-CE2 3.34Å; E149-Y153 WeakPolarHBondContact CG-OH 3.42Å; E149-Y153 WeakPolarHBondContact O-CD2 3.45Å; E149-Y153 PolarHBondContact O-N 2.99Å; E149-Y153 WeakPolarHBondContact OE1-CE2 3.32Å; E149-Y153 PolarHBondContact OE1-OH 3.44Å; N151-Y153 PolarHBondContact O-N 3.43Å; Y153-I156 WeakPolarHBondContact O-CG2 3.4Å; Y153-L157 WeakPolarHBondContact O-CB 3.32Å; Y153-L157 PolarHBondContact O-N 3.48Å; Y153-V184 HydrophobicContact CE1-CG1 3.78Å; Y153-D188 HydrophobicContact CD1-CB 3.45Å; Y153-D188 VanDerWaalsContact CD1-CB 3.45Å; Y153-D188 WeakPolarHBondContact CD1-OD2 3.09Å; Y153-D188 HydrophobicContact CE1-CB 3.38Å; Y153-D188 HydrophobicContact CG-CB 4.37Å; Y153-K229 PolarHBondContact OH-NZ 3.11Å
154	A	98.8	Very high	97.8	Very high	6 Å²	6	39.2 Å²	39.2	5%	0.05	20%	0.199	C	C	.	.	H	α-helix	trans	-71.4	-33.9	177.5	0	0	0	0	0	112.3	R85 K150 N151 S158	R85-A154 HydrophobicContact CB-CB 4.38Å; R85-A154 HydrophobicContact CG-CB 3.76Å; K150-A154 PolarHBondContact O-N 2.92Å; N151-A154 CarbonylContact O-C 3.58Å; N151-A154 PolarHBondContact O-N 3.14Å; A154-S158 PolarHBondContact O-N 3.04Å; A154-S158 VanDerWaalsContact O-N 3.15Å
155	D	98.9	Very high	97.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-71.9	-49	-176.9	-61.7	-17.3	0	0	0	109.9	I89 Y135 S138 N151 L152 L157 S158 A159	I89-D155 HydrophobicContact CD1-CB 4.34Å; I89-D155 WeakPolarHBondContact CD1-OD1 3.32Å; I89-D155 HydrophobicContact CG1-CB 4.37Å; Y135-D155 HydrophobicContact CD2-CB 4.15Å; Y135-D155 HydrophobicContact CE2-CB 3.86Å; S138-D155 WeakPolarHBondContact CB-OD2 3.32Å; S138-D155 PolarHBondContact N-OD2 3.14Å; S138-D155 VanDerWaalsContact OG-CG 3.22Å; S138-D155 PolarHBondContact OG-OD1 2.85Å; S138-D155 PolarHBondContact OG-OD2 3.06Å; N151-D155 VanDerWaalsContact O-CB 3.29Å; N151-D155 WeakPolarHBondContact O-CB 3.49Å; N151-D155 PolarHBondContact O-N 2.81Å; N151-D155 VanDerWaalsContact O-OD2 3.11Å; L152-D155 PolarHBondContact O-N 2.91Å; D155-L157 VanDerWaalsContact C-N 3.32Å; D155-L157 PolarHBondContact O-N 3.5Å; D155-S158 PolarHBondContact O-N 3.31Å; D155-S158 VanDerWaalsContact O-N 3.16Å; D155-S158 PolarHBondContact O-OG 3.23Å; D155-A159 WeakPolarHBondContact O-CB 3.27Å; D155-A159 PolarHBondContact O-N 3.46Å
156	I	98.9	Very high	97.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.2	-37.4	177.5	-163.2	166.2	0	0	0	112.7	L105 S107 Y135 L152 Y153 S158 A159 L160 P185 I189	L105-I156 HydrophobicContact CD2-CG1 4.14Å; S107-I156 WeakPolarHBondContact OG-CD1 3.16Å; Y135-I156 HydrophobicContact CE1-CB 4.46Å; Y135-I156 HydrophobicContact CE1-CG1 4.13Å; Y135-I156 HydrophobicContact CE2-CB 4.36Å; Y135-I156 VanDerWaalsContact OH-CB 3.25Å; Y135-I156 WeakPolarHBondContact OH-CB 3.48Å; Y135-I156 WeakPolarHBondContact OH-CG1 3.42Å; L152-I156 PolarHBondContact O-N 2.85Å; L152-I156 VanDerWaalsContact O-N 3.1Å; Y153-I156 WeakPolarHBondContact O-CG2 3.4Å; I156-S158 VanDerWaalsContact C-N 3.32Å; I156-S158 PolarHBondContact O-N 2.94Å; I156-A159 WeakPolarHBondContact O-CB 3.35Å; I156-A159 PolarHBondContact O-N 3.08Å; I156-L160 WeakPolarHBondContact O-CB 3.45Å; I156-L160 PolarHBondContact O-N 3.04Å; I156-P185 HydrophobicContact CB-CB 3.91Å; I156-P185 HydrophobicContact CD1-CB 3.9Å; I156-P185 HydrophobicContact CD1-CG 4.5Å; I156-P185 HydrophobicContact CG2-CB 3.74Å; I156-I189 HydrophobicContact CD1-CB 4.34Å; I156-I189 HydrophobicContact CD1-CG2 3.52Å; I156-I189 HydrophobicContact CG1-CG2 4.06Å; I156-I189 HydrophobicContact CG2-CB 4.03Å; I156-I189 HydrophobicContact CG2-CG2 4.37Å
157	L	98.8	Very high	97.7	Very high	69 Å²	69	40 Å²	40	36%	0.361	20%	0.196	S	C	.	.	H	α-helix	trans	-61.8	-45	176.1	179.3	61.6	0	0	0	110.4	Y153 D155 A159 L160 D161 I189	Y153-L157 WeakPolarHBondContact O-CB 3.32Å; Y153-L157 PolarHBondContact O-N 3.48Å; D155-L157 VanDerWaalsContact C-N 3.32Å; D155-L157 PolarHBondContact O-N 3.5Å; L157-A159 VanDerWaalsContact C-N 3.31Å; L157-A159 PolarHBondContact O-N 3.44Å; L157-L160 PolarHBondContact O-N 3.12Å; L157-D161 WeakPolarHBondContact O-CB 3.39Å; L157-D161 PolarHBondContact O-N 2.87Å; L157-I189 HydrophobicContact CB-CD1 4.49Å; L157-I189 HydrophobicContact CD1-CD1 3.85Å
158	S	98.8	Very high	97.8	Very high	9 Å²	9	41.3 Å²	41.3	6%	0.063	22%	0.215	C	C	.	.	H	α-helix	trans	-65.8	-33.3	176.8	79.1	0	0	0	0	113.1	S81 A154 D155 I156 T162	S81-S158 WeakPolarHBondContact OG-CB 3.41Å; S81-S158 PolarHBondContact OG-OG 3.2Å; A154-S158 PolarHBondContact O-N 3.04Å; A154-S158 VanDerWaalsContact O-N 3.15Å; D155-S158 PolarHBondContact O-N 3.31Å; D155-S158 VanDerWaalsContact O-N 3.16Å; D155-S158 PolarHBondContact O-OG 3.23Å; I156-S158 VanDerWaalsContact C-N 3.32Å; I156-S158 PolarHBondContact O-N 2.94Å; S158-T162 WeakPolarHBondContact O-CB 3.37Å; S158-T162 PolarHBondContact O-N 3.27Å; S158-T162 PolarHBondContact O-OG1 2.8Å
159	A	98.8	Very high	97.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-67.8	-47.3	176.3	0	0	0	0	0	111	L105 F133 Y135 D155 I156 L157 D161 T162 L163	L105-A159 HydrophobicContact CD1-CB 3.95Å; F133-A159 HydrophobicContact CE1-CB 4.04Å; Y135-A159 HydrophobicContact CD1-CB 3.47Å; Y135-A159 VanDerWaalsContact CD1-CB 3.47Å; Y135-A159 HydrophobicContact CD2-CB 4.19Å; Y135-A159 HydrophobicContact CE1-CB 4Å; Y135-A159 HydrophobicContact CG-CB 3.61Å; D155-A159 WeakPolarHBondContact O-CB 3.27Å; D155-A159 PolarHBondContact O-N 3.46Å; I156-A159 WeakPolarHBondContact O-CB 3.35Å; I156-A159 PolarHBondContact O-N 3.08Å; L157-A159 VanDerWaalsContact C-N 3.31Å; L157-A159 PolarHBondContact O-N 3.44Å; A159-D161 PolarHBondContact O-N 2.9Å; A159-T162 WeakPolarHBondContact O-CB 3.21Å; A159-T162 PolarHBondContact O-N 3.38Å; A159-L163 WeakPolarHBondContact O-CB 3.41Å; A159-L163 PolarHBondContact O-N 2.99Å
160	L	98.8	Very high	98.1	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-44.6	174.8	-177.9	60.8	0	0	0	111.7	L105 I156 L157 T162 L163 R164 V174 I189 V193	L105-L160 HydrophobicContact CD2-CB 3.87Å; L105-L160 HydrophobicContact CD2-CD1 4.13Å; I156-L160 WeakPolarHBondContact O-CB 3.45Å; I156-L160 PolarHBondContact O-N 3.04Å; L157-L160 PolarHBondContact O-N 3.12Å; L160-T162 VanDerWaalsContact C-N 3.29Å; L160-T162 PolarHBondContact O-N 2.84Å; L160-L163 PolarHBondContact O-N 3Å; L160-R164 PolarHBondContact O-N 3.23Å; L160-V174 HydrophobicContact CD1-CB 4.5Å; L160-V174 HydrophobicContact CD1-CG1 4.1Å; L160-V174 HydrophobicContact CD1-CG2 4.14Å; L160-I189 HydrophobicContact CD2-CD1 4.29Å; L160-I189 HydrophobicContact CD2-CG1 3.88Å; L160-V193 HydrophobicContact CD2-CB 4.41Å; L160-V193 HydrophobicContact CD2-CG1 4.08Å; L160-V193 HydrophobicContact CD2-CG2 4.4Å
161	D	98.6	Very high	98.2	Very high	58 Å²	58	35.4 Å²	35.4	31%	0.31	19%	0.194	S	C	.	.	H	α-helix	trans	-62.7	-36.8	176.2	-78.3	-19.3	0	0	0	112	L157 A159 R164 S165	L157-D161 WeakPolarHBondContact O-CB 3.39Å; L157-D161 PolarHBondContact O-N 2.87Å; A159-D161 PolarHBondContact O-N 2.9Å; D161-R164 PolarHBondContact O-N 2.82Å; D161-R164 IonicContact OD1-CZ 3.37Å; D161-R164 IonicContact OD1-NH1 3.12Å; D161-R164 IonicContact OD1-NH2 2.74Å; D161-R164 PolarHBondContact OD1-NH2 2.99Å; D161-S165 VanDerWaalsContact O-CB 3.27Å; D161-S165 WeakPolarHBondContact O-CB 3.29Å; D161-S165 PolarHBondContact O-N 2.74Å; D161-S165 PolarHBondContact O-OG 3.35Å
162	T	98.5	Very high	98.2	Very high	16 Å²	16	41.2 Å²	41.2	10%	0.098	22%	0.22	C	C	.	.	H	α-helix	trans	-67.1	-45.6	175.7	-60.1	0	0	0	0	111	S81 F133 S158 A159 L160 R164 S165 R166 F167	S81-T162 WeakPolarHBondContact CB-OG1 3.14Å; F133-T162 HydrophobicContact CE2-CG2 4.43Å; F133-T162 HydrophobicContact CZ-CG2 3.94Å; S158-T162 WeakPolarHBondContact O-CB 3.37Å; S158-T162 PolarHBondContact O-N 3.27Å; S158-T162 PolarHBondContact O-OG1 2.8Å; A159-T162 WeakPolarHBondContact O-CB 3.21Å; A159-T162 PolarHBondContact O-N 3.38Å; L160-T162 VanDerWaalsContact C-N 3.29Å; L160-T162 PolarHBondContact O-N 2.84Å; T162-R164 VanDerWaalsContact C-N 3.26Å; T162-R164 PolarHBondContact O-N 3.22Å; T162-S165 PolarHBondContact O-N 3.04Å; T162-R166 HydrophobicContact CG2-CB 4.21Å; T162-R166 VanDerWaalsContact O-CB 3.28Å; T162-R166 WeakPolarHBondContact O-CB 3.47Å; T162-R166 PolarHBondContact O-N 2.87Å; T162-F167 HydrophobicContact CG2-CD2 4.43Å; T162-F167 HydrophobicContact CG2-CE2 4.11Å
163	L	97.9	Very high	98.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-58.2	-39.8	177.2	-174.2	56	0	0	0	111.4	T103 L105 F133 A159 L160 F167 G168 V169 V174	T103-L163 HydrophobicContact CG2-CD1 3.96Å; T103-L163 HydrophobicContact CG2-CD2 4.23Å; L105-L163 HydrophobicContact CB-CD2 4.16Å; F133-L163 HydrophobicContact CB-CD1 3.79Å; F133-L163 HydrophobicContact CB-CD2 4.11Å; F133-L163 HydrophobicContact CD1-CB 4.38Å; F133-L163 HydrophobicContact CD1-CD2 4.49Å; F133-L163 HydrophobicContact CD2-CD1 3.81Å; F133-L163 HydrophobicContact CE1-CB 4.46Å; F133-L163 HydrophobicContact CG-CB 4.43Å; F133-L163 HydrophobicContact CG-CD1 3.78Å; F133-L163 HydrophobicContact CG-CD2 4.34Å; F133-L163 HydrophobicContact CG-CG 4.4Å; A159-L163 WeakPolarHBondContact O-CB 3.41Å; A159-L163 PolarHBondContact O-N 2.99Å; L160-L163 PolarHBondContact O-N 3Å; L163-F167 HydrophobicContact CD1-CB 4.22Å; L163-F167 CarbonylContact O-C 3.48Å; L163-F167 WeakPolarHBondContact O-CB 3.49Å; L163-F167 PolarHBondContact O-N 2.97Å; L163-G168 PolarHBondContact O-N 3.13Å; L163-V169 HydrophobicContact CD1-CB 4.04Å; L163-V169 HydrophobicContact CD1-CG2 3.71Å; L163-V169 HydrophobicContact CG-CB 3.94Å; L163-V169 HydrophobicContact CG-CG1 4.41Å; L163-V169 HydrophobicContact CG-CG2 4.19Å; L163-V169 PolarHBondContact O-N 2.97Å; L163-V169 VanDerWaalsContact O-N 3.17Å; L163-V174 HydrophobicContact CD2-CG1 4.28Å; L163-V174 HydrophobicContact CD2-CG2 3.85Å
164	R	98	Very high	98.2	Very high	114 Å²	114	46 Å²	46	43%	0.43	24%	0.238	S	C	.	.	H	α-helix	trans	-72.3	-53	175.3	-174.6	177.8	66.3	-136.5	-7.4	113.3	L160 D161 T162 G168 V169	L160-R164 PolarHBondContact O-N 3.23Å; D161-R164 PolarHBondContact O-N 2.82Å; D161-R164 IonicContact OD1-CZ 3.37Å; D161-R164 IonicContact OD1-NH1 3.12Å; D161-R164 IonicContact OD1-NH2 2.74Å; D161-R164 PolarHBondContact OD1-NH2 2.99Å; T162-R164 VanDerWaalsContact C-N 3.26Å; T162-R164 PolarHBondContact O-N 3.22Å; R164-G168 VanDerWaalsContact O-CA 3.25Å; R164-G168 WeakPolarHBondContact O-CA 3.29Å; R164-G168 PolarHBondContact O-N 3.25Å; R164-G168 VanDerWaalsContact O-N 3.16Å; R164-V169 WeakPolarHBondContact CA-O 3.29Å
165	S	97.3	Very high	98.2	Very high	98 Å²	98	45.7 Å²	45.7	69%	0.685	24%	0.236	S	C	*	.	H	α-helix	trans	-80.5	-36.9	-168.7	59.9	0	0	0	0	113.9	D161 T162	D161-S165 VanDerWaalsContact O-CB 3.27Å; D161-S165 WeakPolarHBondContact O-CB 3.29Å; D161-S165 PolarHBondContact O-N 2.74Å; D161-S165 PolarHBondContact O-OG 3.35Å; T162-S165 PolarHBondContact O-N 3.04Å
166	R	96.7	Very high	98.2	Very high	127 Å²	127	45.7 Å²	45.7	48%	0.479	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-42.4	-178.8	-179.6	176.4	176.7	127.2	-0.8	112.2	E77 C79 T162	E77-R166 IonicContact OE1-CZ 3.82Å; E77-R166 IonicContact OE1-NE 3.13Å; E77-R166 PolarHBondContact OE1-NE 3.49Å; E77-R166 VanDerWaalsContact OE1-NE 3.12Å; E77-R166 IonicContact OE1-NH2 3.97Å; E77-R166 PolarHBondContact OE1-NH2 2.98Å; C79-R166 VanDerWaalsContact CB-CZ 3.44Å; T162-R166 HydrophobicContact CG2-CB 4.21Å; T162-R166 VanDerWaalsContact O-CB 3.28Å; T162-R166 WeakPolarHBondContact O-CB 3.47Å; T162-R166 PolarHBondContact O-N 2.87Å
167	F	96.2	Very high	98.2	Very high	43 Å²	43	45.8 Å²	45.8	19%	0.189	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-1.7	-174.3	-60.9	-81.9	0	0	0	113.4	E77 N93 F133 T162 L163 V169	E77-F167 HydrophobicContact CB-CE1 4.36Å; E77-F167 HydrophobicContact CG-CE1 4.24Å; E77-F167 HydrophobicContact CG-CZ 4.32Å; N93-F167 HydrophobicContact CB-CD1 4.14Å; N93-F167 HydrophobicContact CB-CE1 3.58Å; N93-F167 HydrophobicContact CB-CE2 4.24Å; N93-F167 HydrophobicContact CB-CZ 3.64Å; F133-F167 HydrophobicContact CD2-CD2 4.26Å; F133-F167 HydrophobicContact CD2-CE2 4.21Å; F133-F167 AromaticContact CE2-CD2 3.8Å; F133-F167 HydrophobicContact CE2-CD2 3.8Å; F133-F167 AromaticContact CE2-CE2 3.48Å; F133-F167 HydrophobicContact CE2-CE2 3.48Å; F133-F167 VanDerWaalsContact CE2-CE2 3.48Å; F133-F167 HydrophobicContact CE2-CZ 4.28Å; F133-F167 HydrophobicContact CZ-CE2 4.39Å; T162-F167 HydrophobicContact CG2-CD2 4.43Å; T162-F167 HydrophobicContact CG2-CE2 4.11Å; L163-F167 HydrophobicContact CD1-CB 4.22Å; L163-F167 CarbonylContact O-C 3.48Å; L163-F167 WeakPolarHBondContact O-CB 3.49Å; L163-F167 PolarHBondContact O-N 2.97Å; F167-V169 HydrophobicContact CB-CG2 4.27Å; F167-V169 PolarHBondContact O-N 3.47Å
168	G	97.2	Very high	98.2	Very high	58 Å²	58	42.5 Å²	42.5	60%	0.598	22%	0.219	S	C	*	.			trans	67	20.3	173.3	0	0	0	0	0	114.3	L163 R164 P170	L163-G168 PolarHBondContact O-N 3.13Å; R164-G168 VanDerWaalsContact O-CA 3.25Å; R164-G168 WeakPolarHBondContact O-CA 3.29Å; R164-G168 PolarHBondContact O-N 3.25Å; R164-G168 VanDerWaalsContact O-N 3.16Å; G168-P170 VanDerWaalsContact O-CD 3.29Å; G168-P170 WeakPolarHBondContact O-CD 3.2Å
169	V	98.1	Very high	98.2	Very high	19 Å²	19	43 Å²	43	12%	0.115	22%	0.22	C	C	.	.			trans	-87.3	112.2	-179.6	-175.8	0	0	0	0	109.1	L163 R164 F167 R173 V174	L163-V169 HydrophobicContact CD1-CB 4.04Å; L163-V169 HydrophobicContact CD1-CG2 3.71Å; L163-V169 HydrophobicContact CG-CB 3.94Å; L163-V169 HydrophobicContact CG-CG1 4.41Å; L163-V169 HydrophobicContact CG-CG2 4.19Å; L163-V169 PolarHBondContact O-N 2.97Å; L163-V169 VanDerWaalsContact O-N 3.17Å; R164-V169 WeakPolarHBondContact CA-O 3.29Å; F167-V169 HydrophobicContact CB-CG2 4.27Å; F167-V169 PolarHBondContact O-N 3.47Å; V169-R173 HydrophobicContact CG1-CB 4.06Å; V169-V174 HydrophobicContact CG1-CG2 3.81Å
170	P	98.1	Very high	98.1	Very high	52 Å²	52	43.7 Å²	43.7	34%	0.338	23%	0.225	S	C	.	.			trans	-71.5	154.9	176.8	33.4	-37.3	0	0	0	110.7	G168 E172 R173	G168-P170 VanDerWaalsContact O-CD 3.29Å; G168-P170 WeakPolarHBondContact O-CD 3.2Å; P170-E172 WeakPolarHBondContact CB-OE2 3.44Å; P170-E172 PolarHBondContact O-N 2.69Å; P170-E172 VanDerWaalsContact O-N 3.15Å; P170-R173 HydrophobicContact CG-CB 4.19Å; P170-R173 HydrophobicContact CG-CG 4Å; P170-R173 WeakPolarHBondContact O-CA 3.42Å; P170-R173 PolarHBondContact O-N 2.81Å
171	N	98.4	Very high	98	Very high	26 Å²	26	44.2 Å²	44.2	14%	0.139	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-58.7	-32.4	-174.6	-68	-7.4	0	0	0	112.7	R173 V174 V193 A194 V195 A196	N171-R173 PolarHBondContact O-N 3.37Å; N171-R173 VanDerWaalsContact O-N 3.1Å; N171-V174 PolarHBondContact O-N 2.98Å; N171-V193 WeakPolarHBondContact ND2-CG1 3.29Å; N171-A194 WeakPolarHBondContact CB-O 3.45Å; N171-V195 WeakPolarHBondContact O-CA 3.29Å; N171-A196 PolarHBondContact O-N 3.02Å
172	E	98	Very high	98	Very high	133 Å²	133	41.4 Å²	41.4	62%	0.621	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-67	-7.9	177.5	-57.6	72.9	-157.6	0	0	112.8	P170 A196	P170-E172 WeakPolarHBondContact CB-OE2 3.44Å; P170-E172 PolarHBondContact O-N 2.69Å; P170-E172 VanDerWaalsContact O-N 3.15Å; E172-A196 WeakPolarHBondContact O-CB 2.95Å
173	R	98.2	Very high	98	Very high	136 Å²	136	40.7 Å²	40.7	51%	0.513	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-114.2	6.7	172.1	-66.6	-173.9	-179.5	-174	0.6	113	K101 Y102 T103 V169 P170 N171	K101-R173 WeakPolarHBondContact O-CD 3.2Å; K101-R173 WeakPolarHBondContact O-CG 3.24Å; Y102-R173 CarbonylContact C-O 3.57Å; Y102-R173 VanDerWaalsContact CA-O 3.31Å; Y102-R173 WeakPolarHBondContact CA-O 3.32Å; T103-R173 PolarHBondContact N-O 2.9Å; V169-R173 HydrophobicContact CG1-CB 4.06Å; P170-R173 HydrophobicContact CG-CB 4.19Å; P170-R173 HydrophobicContact CG-CG 4Å; P170-R173 WeakPolarHBondContact O-CA 3.42Å; P170-R173 PolarHBondContact O-N 2.81Å; N171-R173 PolarHBondContact O-N 3.37Å; N171-R173 VanDerWaalsContact O-N 3.1Å
174	V	98.8	Very high	98.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.2	176.3	178.9	0	0	0	0	109.8	T103 L105 L160 L163 V169 N171 L176 A196	T103-V174 WeakPolarHBondContact O-CA 3.38Å; L105-V174 HydrophobicContact CB-CG1 3.9Å; L160-V174 HydrophobicContact CD1-CB 4.5Å; L160-V174 HydrophobicContact CD1-CG1 4.1Å; L160-V174 HydrophobicContact CD1-CG2 4.14Å; L163-V174 HydrophobicContact CD2-CG1 4.28Å; L163-V174 HydrophobicContact CD2-CG2 3.85Å; V169-V174 HydrophobicContact CG1-CG2 3.81Å; N171-V174 PolarHBondContact O-N 2.98Å; V174-L176 HydrophobicContact CG1-CD2 4.01Å; V174-L176 HydrophobicContact CG1-CG 4.49Å; V174-A196 WeakPolarHBondContact O-CB 3.36Å; V174-A196 PolarHBondContact O-N 2.85Å
175	I	98.9	Very high	98.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118.9	165.1	-61.3	177.8	0	0	0	107	Y102 T103 I104 L105 A196 A197 I199 I291 L295	Y102-I175 HydrophobicContact CD1-CD1 4.3Å; Y102-I175 HydrophobicContact CD1-CG1 4.19Å; Y102-I175 HydrophobicContact CD2-CD1 4.17Å; Y102-I175 HydrophobicContact CG-CD1 3.8Å; Y102-I175 HydrophobicContact CG-CG1 4.14Å; T103-I175 PolarHBondContact O-N 3.44Å; I104-I175 CarbonylContact C-O 3.23Å; I104-I175 VanDerWaalsContact CA-O 3.25Å; I104-I175 WeakPolarHBondContact CA-O 3.2Å; I104-I175 HydrophobicContact CG1-CB 4.13Å; I104-I175 HydrophobicContact CG1-CG2 4.37Å; L105-I175 PolarHBondContact N-O 3.2Å; I175-A196 HydrophobicContact CG1-CB 4.36Å; I175-A197 WeakPolarHBondContact CA-O 3.36Å; I175-A197 HydrophobicContact CG1-CB 4.15Å; I175-A197 HydrophobicContact CG2-CB 4.22Å; I175-I199 HydrophobicContact CG2-CD1 3.72Å; I175-I199 HydrophobicContact CG2-CG1 4.08Å; I175-I291 HydrophobicContact CD1-CD1 4.26Å; I175-I291 HydrophobicContact CD1-CG1 3.94Å; I175-I291 HydrophobicContact CD1-CG2 4.37Å; I175-L295 HydrophobicContact CD1-CD1 3.88Å; I175-L295 HydrophobicContact CG1-CD1 4.37Å
176	L	99	Very high	98.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	125.3	174.4	-61.3	173.4	0	0	0	108.7	L105 V174 T186 I189 A190 V195 A197 V198 I199	L105-L176 HydrophobicContact CB-CD2 4.09Å; L105-L176 HydrophobicContact CD2-CD2 3.7Å; L105-L176 HydrophobicContact CG-CD2 4.15Å; V174-L176 HydrophobicContact CG1-CD2 4.01Å; V174-L176 HydrophobicContact CG1-CG 4.49Å; L176-T186 HydrophobicContact CB-CG2 3.77Å; L176-I189 HydrophobicContact CD1-CG2 3.6Å; L176-I189 HydrophobicContact CD2-CG2 4.07Å; L176-I189 HydrophobicContact CG-CG2 4.48Å; L176-A190 HydrophobicContact CD1-CB 3.7Å; L176-V195 HydrophobicContact CD1-CB 4.38Å; L176-V195 HydrophobicContact CD1-CG1 3.92Å; L176-V195 HydrophobicContact CD1-CG2 3.72Å; L176-V195 HydrophobicContact CD2-CG1 4.49Å; L176-V195 HydrophobicContact CG-CB 4.35Å; L176-V195 HydrophobicContact CG-CG1 4.04Å; L176-V195 HydrophobicContact CG-CG2 3.94Å; L176-A197 PolarHBondContact N-O 3Å; L176-V198 HydrophobicContact CB-CG2 4.37Å; L176-V198 HydrophobicContact CD1-CG2 4.32Å; L176-V198 CarbonylContact O-C 3.56Å; L176-V198 VanDerWaalsContact O-CA 3.31Å; L176-V198 WeakPolarHBondContact O-CA 3.32Å; L176-I199 PolarHBondContact O-N 3.34Å
177	Y	98.9	Very high	98.3	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	126.6	175	-169.2	-59.7	0	0	0	108.9	I104 L105 F106 S107 Q179 I199 H201 Y283 L287	I104-Y177 VanDerWaalsContact CG2-CB 3.47Å; I104-Y177 HydrophobicContact CG2-CG 4.35Å; L105-Y177 PolarHBondContact O-N 2.79Å; F106-Y177 CarbonylContact C-O 3.56Å; F106-Y177 WeakPolarHBondContact CA-O 3.33Å; F106-Y177 HydrophobicContact CD1-CD1 4.3Å; F106-Y177 AromaticContact CD2-CD1 3.64Å; F106-Y177 HydrophobicContact CD2-CD1 3.64Å; F106-Y177 HydrophobicContact CD2-CD2 4.26Å; F106-Y177 HydrophobicContact CD2-CE1 4.3Å; F106-Y177 AromaticContact CD2-CG 3.67Å; F106-Y177 HydrophobicContact CD2-CG 3.67Å; F106-Y177 AromaticContact CE1-CD1 3.91Å; F106-Y177 HydrophobicContact CE1-CD1 3.91Å; F106-Y177 HydrophobicContact CE1-CE1 4.16Å; F106-Y177 AromaticContact CE2-CD1 3.21Å; F106-Y177 HydrophobicContact CE2-CD1 3.21Å; F106-Y177 AromaticContact CE2-CD2 3.98Å; F106-Y177 HydrophobicContact CE2-CD2 3.98Å; F106-Y177 AromaticContact CE2-CE1 3.42Å; F106-Y177 HydrophobicContact CE2-CE1 3.42Å; F106-Y177 VanDerWaalsContact CE2-CE1 3.42Å; F106-Y177 HydrophobicContact CE2-CE2 4.09Å; F106-Y177 AromaticContact CE2-CG 3.57Å; F106-Y177 HydrophobicContact CE2-CG 3.57Å; F106-Y177 AromaticContact CE2-CZ 3.87Å; F106-Y177 HydrophobicContact CG-CD1 4.17Å; F106-Y177 HydrophobicContact CG-CG 4.39Å; F106-Y177 AromaticContact CZ-CD1 3.37Å; F106-Y177 HydrophobicContact CZ-CD1 3.37Å; F106-Y177 AromaticContact CZ-CE1 3.33Å; F106-Y177 HydrophobicContact CZ-CE1 3.33Å; F106-Y177 HydrophobicContact CZ-CG 4.2Å; S107-Y177 PolarHBondContact N-O 3.47Å; Y177-Q179 HydrophobicContact CE1-CB 4.23Å; Y177-I199 WeakPolarHBondContact CA-O 3.46Å; Y177-I199 HydrophobicContact CD2-CB 3.66Å; Y177-I199 HydrophobicContact CD2-CD1 3.78Å; Y177-I199 HydrophobicContact CD2-CG1 4.32Å; Y177-I199 HydrophobicContact CD2-CG2 3.6Å; Y177-I199 HydrophobicContact CE2-CB 4.07Å; Y177-I199 HydrophobicContact CE2-CD1 4.27Å; Y177-I199 HydrophobicContact CE2-CG2 3.45Å; Y177-I199 VanDerWaalsContact CE2-CG2 3.45Å; Y177-I199 HydrophobicContact CG-CB 4.12Å; Y177-I199 HydrophobicContact CG-CG2 4.27Å; Y177-H201 HydrophobicContact CE1-CB 3.68Å; Y177-H201 VanDerWaalsContact OH-CB 3.29Å; Y177-H201 WeakPolarHBondContact OH-CB 3.26Å; Y177-H201 PolarHBondContact OH-ND1 3.18Å; Y177-H201 VanDerWaalsContact OH-ND1 3.08Å; Y177-Y283 PolarHBondContact OH-OH 3.38Å; Y177-L287 HydrophobicContact CE2-CD2 4.45Å
178	G	98.9	Very high	98.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.8	170.4	0	0	0	0	0	111.5	T183 T186 I199 H201	G178-T183 WeakPolarHBondContact O-CG2 3.48Å; G178-T186 VanDerWaalsContact CA-OG1 3.29Å; G178-T186 WeakPolarHBondContact CA-OG1 3.26Å; G178-T186 PolarHBondContact N-OG1 2.92Å; G178-I199 PolarHBondContact N-O 3.21Å; G178-H201 PolarHBondContact O-N 3.19Å
179	Q	98.6	Very high	98.5	Very high	19 Å²	19	20.3 Å²	20.3	9%	0.089	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.1	172.7	-174.6	177.7	8.4	0	0	111	F106 S107 Y177 I181 G182 H201	F106-Q179 HydrophobicContact CE1-CB 4.14Å; F106-Q179 HydrophobicContact CZ-CB 4.3Å; S107-Q179 PolarHBondContact O-N 3.23Å; Y177-Q179 HydrophobicContact CE1-CB 4.23Å; Q179-I181 PolarHBondContact O-N 3.2Å; Q179-G182 WeakPolarHBondContact O-CA 3.41Å; Q179-G182 PolarHBondContact O-N 3.38Å; Q179-H201 CarbonylContact C-O 3.47Å; Q179-H201 WeakPolarHBondContact CA-O 3.22Å; Q179-H201 HydrophobicContact CB-CB 4.39Å; Q179-H201 HydrophobicContact CG-CB 4.37Å
180	S	97.8	Very high	98.5	Very high	16 Å²	16	19.5 Å²	19.5	11%	0.112	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	53.8	-123	178.4	-173.3	0	0	0	0	110.7	G182 T183 H201 S202 L204 H274	S180-G182 PolarHBondContact O-N 3.2Å; S180-G182 VanDerWaalsContact O-N 3.1Å; S180-T183 WeakPolarHBondContact O-CB 3.26Å; S180-T183 WeakPolarHBondContact O-CG2 3.23Å; S180-T183 PolarHBondContact O-N 3.48Å; S180-T183 PolarHBondContact O-OG1 3.14Å; S180-H201 PolarHBondContact N-O 2.88Å; S180-S202 WeakPolarHBondContact CA-O 3.41Å; S180-L204 WeakPolarHBondContact O-CD2 3.4Å; S180-H274 VanDerWaalsContact CB-NE2 3.32Å; S180-H274 WeakPolarHBondContact CB-NE2 3.29Å; S180-H274 PolarHBondContact OG-CE1 2.85Å; S180-H274 PolarHBondContact OG-NE2 3.21Å
181	I	96.9	Very high	98.6	Very high	12 Å²	12	18.2 Å²	18.2	6%	0.062	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-55.5	-27.6	174.1	-163.9	64.8	0	0	0	113.3	F35 N110 Y137 L152 Q179 T183 V184 P185 L204 F224	F35-I181 HydrophobicContact CE1-CG1 4.05Å; N110-I181 HydrophobicContact CB-CG2 4.05Å; Y137-I181 HydrophobicContact CE2-CG2 4.47Å; L152-I181 HydrophobicContact CD1-CG1 4.46Å; Q179-I181 PolarHBondContact O-N 3.2Å; I181-T183 PolarHBondContact O-N 3.24Å; I181-V184 HydrophobicContact CD1-CG2 4.07Å; I181-V184 VanDerWaalsContact O-CB 3.31Å; I181-V184 WeakPolarHBondContact O-CB 3.27Å; I181-V184 WeakPolarHBondContact O-CG2 3.27Å; I181-V184 PolarHBondContact O-N 3.24Å; I181-V184 VanDerWaalsContact O-N 3.1Å; I181-P185 WeakPolarHBondContact O-CD 3.49Å; I181-L204 HydrophobicContact CD1-CD1 4.45Å; I181-F224 HydrophobicContact CD1-CD2 4.13Å; I181-F224 HydrophobicContact CD1-CE2 3.97Å; I181-F224 HydrophobicContact CD1-CG 4.49Å; I181-F224 HydrophobicContact CD1-CZ 4.16Å
182	G	98.5	Very high	98.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-63	-21.8	176.4	0	0	0	0	0	113.7	S107 H108 Y137 Q179 S180 V184 P185 T186	S107-G182 VanDerWaalsContact CB-O 3.29Å; S107-G182 WeakPolarHBondContact CB-O 3.46Å; H108-G182 WeakPolarHBondContact O-CA 3.4Å; Y137-G182 WeakPolarHBondContact OH-CA 3.49Å; Q179-G182 WeakPolarHBondContact O-CA 3.41Å; Q179-G182 PolarHBondContact O-N 3.38Å; S180-G182 PolarHBondContact O-N 3.2Å; S180-G182 VanDerWaalsContact O-N 3.1Å; G182-V184 PolarHBondContact O-N 3.12Å; G182-P185 WeakPolarHBondContact O-CD 3.36Å; G182-P185 VanDerWaalsContact O-CG 3.29Å; G182-P185 WeakPolarHBondContact O-CG 3.45Å; G182-T186 PolarHBondContact O-N 2.89Å; G182-T186 PolarHBondContact O-OG1 3.41Å
183	T	98.8	Very high	98.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65.1	-23.4	173.9	62.4	0	0	0	0	113.2	G178 S180 I181 T186 V187 L200 P203 L204	G178-T183 WeakPolarHBondContact O-CG2 3.48Å; S180-T183 WeakPolarHBondContact O-CB 3.26Å; S180-T183 WeakPolarHBondContact O-CG2 3.23Å; S180-T183 PolarHBondContact O-N 3.48Å; S180-T183 PolarHBondContact O-OG1 3.14Å; I181-T183 PolarHBondContact O-N 3.24Å; T183-T186 PolarHBondContact O-N 3.37Å; T183-V187 WeakPolarHBondContact O-CB 3.36Å; T183-V187 VanDerWaalsContact O-CG2 3.32Å; T183-V187 WeakPolarHBondContact O-CG2 3.26Å; T183-V187 PolarHBondContact O-N 2.93Å; T183-L200 HydrophobicContact CG2-CB 4.31Å; T183-L200 HydrophobicContact CG2-CD2 4.22Å; T183-P203 HydrophobicContact CG2-CB 3.83Å; T183-P203 WeakPolarHBondContact OG1-CA 3.47Å; T183-L204 WeakPolarHBondContact OG1-CD2 3.31Å
184	V	98.6	Very high	98.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.8	-57.1	-179.4	175.4	0	0	0	0	112.4	L152 Y153 I181 G182 T186 D188 L204 F224	L152-V184 HydrophobicContact CD1-CG1 4.4Å; Y153-V184 HydrophobicContact CE1-CG1 3.78Å; I181-V184 HydrophobicContact CD1-CG2 4.07Å; I181-V184 VanDerWaalsContact O-CB 3.31Å; I181-V184 WeakPolarHBondContact O-CB 3.27Å; I181-V184 WeakPolarHBondContact O-CG2 3.27Å; I181-V184 PolarHBondContact O-N 3.24Å; I181-V184 VanDerWaalsContact O-N 3.1Å; G182-V184 PolarHBondContact O-N 3.12Å; V184-T186 VanDerWaalsContact C-N 3.29Å; V184-T186 PolarHBondContact O-N 2.59Å; V184-D188 WeakPolarHBondContact O-CB 3.47Å; V184-D188 PolarHBondContact O-N 3.33Å; V184-D188 VanDerWaalsContact O-N 3.12Å; V184-L204 HydrophobicContact CG2-CD1 4.31Å; V184-L204 HydrophobicContact CG2-CD2 3.54Å; V184-L204 HydrophobicContact CG2-CG 4.06Å; V184-F224 HydrophobicContact CB-CB 4.4Å; V184-F224 HydrophobicContact CG1-CB 3.73Å; V184-F224 HydrophobicContact CG1-CD1 3.71Å; V184-F224 HydrophobicContact CG1-CG 4.07Å; V184-F224 HydrophobicContact CG2-CB 3.73Å; V184-F224 HydrophobicContact CG2-CD1 4.45Å; V184-F224 HydrophobicContact CG2-CG 4.15Å
185	P	98.8	Very high	98.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.3	-34.1	174.7	25.2	-34.1	0	0	0	112.1	L152 I156 I181 G182 D188 I189	L152-P185 HydrophobicContact CB-CB 4.15Å; L152-P185 HydrophobicContact CB-CG 4.27Å; I156-P185 HydrophobicContact CB-CB 3.91Å; I156-P185 HydrophobicContact CD1-CB 3.9Å; I156-P185 HydrophobicContact CD1-CG 4.5Å; I156-P185 HydrophobicContact CG2-CB 3.74Å; I181-P185 WeakPolarHBondContact O-CD 3.49Å; G182-P185 WeakPolarHBondContact O-CD 3.36Å; G182-P185 VanDerWaalsContact O-CG 3.29Å; G182-P185 WeakPolarHBondContact O-CG 3.45Å; P185-D188 PolarHBondContact O-N 3.2Å; P185-I189 WeakPolarHBondContact O-CG2 3.32Å; P185-I189 PolarHBondContact O-N 3.01Å
186	T	98.9	Very high	98.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58.5	-50.4	177	-55.4	0	0	0	0	111.7	S107 L176 G178 G182 T183 V184 I189 A190 V198 L200	S107-T186 PolarHBondContact OG-OG1 2.79Å; L176-T186 HydrophobicContact CB-CG2 3.77Å; G178-T186 VanDerWaalsContact CA-OG1 3.29Å; G178-T186 WeakPolarHBondContact CA-OG1 3.26Å; G178-T186 PolarHBondContact N-OG1 2.92Å; G182-T186 PolarHBondContact O-N 2.89Å; G182-T186 PolarHBondContact O-OG1 3.41Å; T183-T186 PolarHBondContact O-N 3.37Å; V184-T186 VanDerWaalsContact C-N 3.29Å; V184-T186 PolarHBondContact O-N 2.59Å; T186-I189 WeakPolarHBondContact O-CG2 3.44Å; T186-A190 WeakPolarHBondContact O-CB 3.48Å; T186-A190 PolarHBondContact O-N 2.65Å; T186-V198 HydrophobicContact CG2-CG1 3.85Å; T186-L200 HydrophobicContact CG2-CD2 3.77Å
187	V	98.9	Very high	98.5	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.012	10%	0.099	C	C	.	.	H	α-helix	trans	-65.2	-40.9	176.6	172.1	0	0	0	0	111	T183 A190 S191 L200 K229 V230 V233	T183-V187 WeakPolarHBondContact O-CB 3.36Å; T183-V187 VanDerWaalsContact O-CG2 3.32Å; T183-V187 WeakPolarHBondContact O-CG2 3.26Å; T183-V187 PolarHBondContact O-N 2.93Å; V187-A190 PolarHBondContact O-N 2.85Å; V187-S191 WeakPolarHBondContact O-CB 3.34Å; V187-S191 PolarHBondContact O-N 2.94Å; V187-L200 HydrophobicContact CG2-CD1 3.79Å; V187-L200 HydrophobicContact CG2-CD2 3.79Å; V187-L200 HydrophobicContact CG2-CG 4.48Å; V187-K229 HydrophobicContact CG1-CB 3.85Å; V187-V230 HydrophobicContact CG1-CB 4.16Å; V187-V233 HydrophobicContact CG1-CG2 4.48Å
188	D	98.8	Very high	98.5	Very high	7 Å²	7	16.8 Å²	16.8	4%	0.037	10%	0.099	C	C	.	.	H	α-helix	trans	-61	-46.9	179.2	180	81.2	0	0	0	112.5	Y153 V184 P185 S191 K192 K229	Y153-D188 HydrophobicContact CD1-CB 3.45Å; Y153-D188 VanDerWaalsContact CD1-CB 3.45Å; Y153-D188 WeakPolarHBondContact CD1-OD2 3.09Å; Y153-D188 HydrophobicContact CE1-CB 3.38Å; Y153-D188 HydrophobicContact CG-CB 4.37Å; V184-D188 WeakPolarHBondContact O-CB 3.47Å; V184-D188 PolarHBondContact O-N 3.33Å; V184-D188 VanDerWaalsContact O-N 3.12Å; P185-D188 PolarHBondContact O-N 3.2Å; D188-S191 PolarHBondContact O-N 2.71Å; D188-S191 PolarHBondContact O-OG 3.5Å; D188-K192 WeakPolarHBondContact O-CD 3.46Å; D188-K192 WeakPolarHBondContact O-CE 3.49Å; D188-K192 WeakPolarHBondContact OD1-CE 3.18Å; D188-K192 IonicContact OD1-NZ 2.83Å; D188-K192 PolarHBondContact OD1-NZ 3.43Å; D188-K192 IonicContact OD2-NZ 2.74Å; D188-K192 PolarHBondContact OD2-NZ 3.4Å; D188-K229 HydrophobicContact CB-CD 4.15Å; D188-K229 IonicContact OD1-NZ 3.2Å; D188-K229 PolarHBondContact OD1-NZ 3.15Å
189	I	98.8	Very high	98.5	Very high	4 Å²	4	16.8 Å²	16.8	2%	0.021	10%	0.099	C	C	.	.	H	α-helix	trans	-72.6	-39.2	179	-165	63.7	0	0	0	111.8	I156 L157 L160 L176 P185 T186 S191 K192 V193	I156-I189 HydrophobicContact CD1-CB 4.34Å; I156-I189 HydrophobicContact CD1-CG2 3.52Å; I156-I189 HydrophobicContact CG1-CG2 4.06Å; I156-I189 HydrophobicContact CG2-CB 4.03Å; I156-I189 HydrophobicContact CG2-CG2 4.37Å; L157-I189 HydrophobicContact CB-CD1 4.49Å; L157-I189 HydrophobicContact CD1-CD1 3.85Å; L160-I189 HydrophobicContact CD2-CD1 4.29Å; L160-I189 HydrophobicContact CD2-CG1 3.88Å; L176-I189 HydrophobicContact CD1-CG2 3.6Å; L176-I189 HydrophobicContact CD2-CG2 4.07Å; L176-I189 HydrophobicContact CG-CG2 4.48Å; P185-I189 WeakPolarHBondContact O-CG2 3.32Å; P185-I189 PolarHBondContact O-N 3.01Å; T186-I189 WeakPolarHBondContact O-CG2 3.44Å; I189-S191 PolarHBondContact O-N 2.69Å; I189-K192 PolarHBondContact O-N 2.8Å; I189-V193 HydrophobicContact CD1-CG2 3.82Å; I189-V193 HydrophobicContact CG1-CG2 4.25Å; I189-V193 PolarHBondContact O-N 2.95Å
190	A	98.8	Very high	98.5	Very high	2 Å²	2	16 Å²	16	2%	0.017	10%	0.096	C	C	.	.	H	α-helix	trans	-63.5	-26.3	177.1	0	0	0	0	0	112.8	L176 T186 V187 K192 V198 V233	L176-A190 HydrophobicContact CD1-CB 3.7Å; T186-A190 WeakPolarHBondContact O-CB 3.48Å; T186-A190 PolarHBondContact O-N 2.65Å; V187-A190 PolarHBondContact O-N 2.85Å; A190-K192 PolarHBondContact O-N 2.89Å; A190-V198 HydrophobicContact CB-CG2 3.71Å; A190-V233 HydrophobicContact CB-CG1 4.01Å; A190-V233 HydrophobicContact CB-CG2 3.85Å
191	S	98.6	Very high	98.6	Very high	24 Å²	24	15.3 Å²	15.3	17%	0.168	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-8.7	173.9	76.5	0	0	0	0	114.3	V187 D188 I189	V187-S191 WeakPolarHBondContact O-CB 3.34Å; V187-S191 PolarHBondContact O-N 2.94Å; D188-S191 PolarHBondContact O-N 2.71Å; D188-S191 PolarHBondContact O-OG 3.5Å; I189-S191 PolarHBondContact O-N 2.69Å
192	K	98.5	Very high	98.7	Very high	135 Å²	135	14.8 Å²	14.8	59%	0.587	9%	0.088	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.4	-27.6	-173.1	-62.8	167.5	-167.7	168.4	0	113.1	D188 I189 A190	D188-K192 WeakPolarHBondContact O-CD 3.46Å; D188-K192 WeakPolarHBondContact O-CE 3.49Å; D188-K192 WeakPolarHBondContact OD1-CE 3.18Å; D188-K192 IonicContact OD1-NZ 2.83Å; D188-K192 PolarHBondContact OD1-NZ 3.43Å; D188-K192 IonicContact OD2-NZ 2.74Å; D188-K192 PolarHBondContact OD2-NZ 3.4Å; I189-K192 PolarHBondContact O-N 2.8Å; A190-K192 PolarHBondContact O-N 2.89Å
193	V	98.3	Very high	98.7	Very high	32 Å²	32	14.8 Å²	14.8	19%	0.194	9%	0.088	C	C	.	.	S	Bend	trans	-127.6	125.6	-173.6	-176.1	0	0	0	0	109.4	L160 N171 I189 V195	L160-V193 HydrophobicContact CD2-CB 4.41Å; L160-V193 HydrophobicContact CD2-CG1 4.08Å; L160-V193 HydrophobicContact CD2-CG2 4.4Å; N171-V193 WeakPolarHBondContact ND2-CG1 3.29Å; I189-V193 HydrophobicContact CD1-CG2 3.82Å; I189-V193 HydrophobicContact CG1-CG2 4.25Å; I189-V193 PolarHBondContact O-N 2.95Å; V193-V195 HydrophobicContact CG1-CG1 4.37Å; V193-V195 PolarHBondContact O-N 3.18Å
194	A	97.7	Very high	98.6	Very high	65 Å²	65	15.2 Å²	15.2	54%	0.537	9%	0.09	S	C	.	.			trans	-69	129.5	170.8	0	0	0	0	0	109.8	N171	N171-A194 WeakPolarHBondContact CB-O 3.45Å
195	V	98.7	Very high	98.6	Very high	15 Å²	15	15.7 Å²	15.7	9%	0.091	9%	0.093	C	C	.	.			trans	-132.9	172	179.7	-66	0	0	0	0	109.6	N171 L176 V193 A197 V198 A235	N171-V195 WeakPolarHBondContact O-CA 3.29Å; L176-V195 HydrophobicContact CD1-CB 4.38Å; L176-V195 HydrophobicContact CD1-CG1 3.92Å; L176-V195 HydrophobicContact CD1-CG2 3.72Å; L176-V195 HydrophobicContact CD2-CG1 4.49Å; L176-V195 HydrophobicContact CG-CB 4.35Å; L176-V195 HydrophobicContact CG-CG1 4.04Å; L176-V195 HydrophobicContact CG-CG2 3.94Å; V193-V195 HydrophobicContact CG1-CG1 4.37Å; V193-V195 PolarHBondContact O-N 3.18Å; V195-A197 WeakPolarHBondContact CG2-O 3.43Å; V195-V198 HydrophobicContact CG2-CG2 4.09Å; V195-A235 HydrophobicContact CG2-CB 3.93Å
196	A	98.3	Very high	98.5	Very high	19 Å²	19	15.7 Å²	15.7	16%	0.157	9%	0.093	C	C	.	.	S	Bend	trans	-60.9	-46.3	178.7	0	0	0	0	0	112.4	Y102 N171 E172 V174 I175	Y102-A196 HydrophobicContact CD1-CB 3.83Å; Y102-A196 HydrophobicContact CE1-CB 3.63Å; N171-A196 PolarHBondContact O-N 3.02Å; E172-A196 WeakPolarHBondContact O-CB 2.95Å; V174-A196 WeakPolarHBondContact O-CB 3.36Å; V174-A196 PolarHBondContact O-N 2.85Å; I175-A196 HydrophobicContact CG1-CB 4.36Å
197	A	98.8	Very high	98.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	167.5	-177	0	0	0	0	0	111.9	I175 L176 V195 P236 F290 L295	I175-A197 WeakPolarHBondContact CA-O 3.36Å; I175-A197 HydrophobicContact CG1-CB 4.15Å; I175-A197 HydrophobicContact CG2-CB 4.22Å; L176-A197 PolarHBondContact N-O 3Å; V195-A197 WeakPolarHBondContact CG2-O 3.43Å; A197-P236 CarbonylContact C-O 3.6Å; A197-P236 WeakPolarHBondContact CA-O 3.35Å; A197-F290 HydrophobicContact CB-CE1 3.82Å; A197-F290 HydrophobicContact CB-CZ 3.66Å; A197-L295 HydrophobicContact CB-CD1 3.59Å; A197-L295 HydrophobicContact CB-CD2 3.79Å; A197-L295 HydrophobicContact CB-CG 4.3Å
198	V	98.9	Very high	97.8	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.006	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	138.2	173.2	-175.9	0	0	0	0	109.6	L176 T186 A190 V195 L200 V233 A235 P236 T237 L238	L176-V198 HydrophobicContact CB-CG2 4.37Å; L176-V198 HydrophobicContact CD1-CG2 4.32Å; L176-V198 CarbonylContact O-C 3.56Å; L176-V198 VanDerWaalsContact O-CA 3.31Å; L176-V198 WeakPolarHBondContact O-CA 3.32Å; T186-V198 HydrophobicContact CG2-CG1 3.85Å; A190-V198 HydrophobicContact CB-CG2 3.71Å; V195-V198 HydrophobicContact CG2-CG2 4.09Å; V198-L200 HydrophobicContact CG1-CD2 3.67Å; V198-L200 HydrophobicContact CG1-CG 3.89Å; V198-V233 HydrophobicContact CG2-CG1 3.99Å; V198-A235 HydrophobicContact CG2-CB 4.15Å; V198-P236 PolarHBondContact N-O 2.82Å; V198-T237 HydrophobicContact CB-CG2 4.08Å; V198-T237 HydrophobicContact CG1-CG2 4.19Å; V198-T237 CarbonylContact O-C 3.53Å; V198-T237 VanDerWaalsContact O-CA 3.29Å; V198-T237 WeakPolarHBondContact O-CA 3.43Å; V198-L238 PolarHBondContact O-N 2.88Å
199	I	99	Very high	97.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	122.5	170.7	-58.7	164.1	0	0	0	107.6	I175 L176 Y177 G178 L238 I240 L287 F290	I175-I199 HydrophobicContact CG2-CD1 3.72Å; I175-I199 HydrophobicContact CG2-CG1 4.08Å; L176-I199 PolarHBondContact O-N 3.34Å; Y177-I199 WeakPolarHBondContact CA-O 3.46Å; Y177-I199 HydrophobicContact CD2-CB 3.66Å; Y177-I199 HydrophobicContact CD2-CD1 3.78Å; Y177-I199 HydrophobicContact CD2-CG1 4.32Å; Y177-I199 HydrophobicContact CD2-CG2 3.6Å; Y177-I199 HydrophobicContact CE2-CB 4.07Å; Y177-I199 HydrophobicContact CE2-CD1 4.27Å; Y177-I199 HydrophobicContact CE2-CG2 3.45Å; Y177-I199 VanDerWaalsContact CE2-CG2 3.45Å; Y177-I199 HydrophobicContact CG-CB 4.12Å; Y177-I199 HydrophobicContact CG-CG2 4.27Å; G178-I199 PolarHBondContact N-O 3.21Å; I199-L238 CarbonylContact C-O 3.59Å; I199-L238 WeakPolarHBondContact CA-O 3.39Å; I199-L238 HydrophobicContact CG1-CB 4.36Å; I199-I240 HydrophobicContact CG2-CD1 3.88Å; I199-I240 HydrophobicContact CG2-CG1 4.43Å; I199-L287 HydrophobicContact CD1-CD2 3.68Å; I199-L287 HydrophobicContact CG1-CD2 4.47Å; I199-L287 HydrophobicContact CG2-CD2 4.27Å; I199-F290 HydrophobicContact CD1-CD1 4.24Å; I199-F290 HydrophobicContact CD1-CE1 4.36Å; I199-F290 HydrophobicContact CG1-CD1 3.98Å; I199-F290 HydrophobicContact CG1-CE1 3.74Å
200	L	98.9	Very high	97.4	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	107.4	178.7	-58.9	-178.8	0	0	0	108.9	T183 T186 V187 V198 P203 T237 L238 V239 I240 I256	T183-L200 HydrophobicContact CG2-CB 4.31Å; T183-L200 HydrophobicContact CG2-CD2 4.22Å; T186-L200 HydrophobicContact CG2-CD2 3.77Å; V187-L200 HydrophobicContact CG2-CD1 3.79Å; V187-L200 HydrophobicContact CG2-CD2 3.79Å; V187-L200 HydrophobicContact CG2-CG 4.48Å; V198-L200 HydrophobicContact CG1-CD2 3.67Å; V198-L200 HydrophobicContact CG1-CG 3.89Å; L200-P203 HydrophobicContact CB-CB 4.09Å; L200-P203 HydrophobicContact CB-CG 4.03Å; L200-T237 HydrophobicContact CD1-CG2 4.01Å; L200-T237 HydrophobicContact CG-CG2 4.19Å; L200-L238 PolarHBondContact N-O 2.99Å; L200-V239 WeakPolarHBondContact O-CA 3.48Å; L200-I240 PolarHBondContact O-N 3.07Å; L200-I256 HydrophobicContact CD1-CG2 3.6Å
201	H	98.8	Very high	96.9	Very high	1 Å²	1	22 Å²	22	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	116	178.9	-177.4	-171.2	0	0	0	110	Y177 G178 Q179 S180 I240 V277 E278	Y177-H201 HydrophobicContact CE1-CB 3.68Å; Y177-H201 VanDerWaalsContact OH-CB 3.29Å; Y177-H201 WeakPolarHBondContact OH-CB 3.26Å; Y177-H201 PolarHBondContact OH-ND1 3.18Å; Y177-H201 VanDerWaalsContact OH-ND1 3.08Å; G178-H201 PolarHBondContact O-N 3.19Å; Q179-H201 CarbonylContact C-O 3.47Å; Q179-H201 WeakPolarHBondContact CA-O 3.22Å; Q179-H201 HydrophobicContact CB-CB 4.39Å; Q179-H201 HydrophobicContact CG-CB 4.37Å; S180-H201 PolarHBondContact N-O 2.88Å; H201-I240 WeakPolarHBondContact CA-O 3.44Å; H201-V277 VanDerWaalsContact NE2-CB 3.26Å; H201-V277 WeakPolarHBondContact NE2-CB 3.15Å; H201-V277 VanDerWaalsContact NE2-CG1 3.32Å; H201-V277 WeakPolarHBondContact NE2-CG1 3.16Å; H201-E278 IonicContact CE1-OE2 2.63Å
202	S	98.6	Very high	96.6	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.007	14%	0.14	C	C	.	.	S	Bend	trans	49.2	55.6	-173.4	-61.6	0	0	0	0	113.1	S180 I240 D245	S180-S202 WeakPolarHBondContact CA-O 3.41Å; S202-I240 PolarHBondContact N-O 3.02Å; S202-D245 PolarHBondContact OG-OD2 3.29Å
203	P	98.7	Very high	96.2	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	14%	0.141	C	C	.	.			trans	-69.5	151.2	-177.5	30.3	-35.9	0	0	0	112.8	T183 L200 V239 I248 H252 I256	T183-P203 HydrophobicContact CG2-CB 3.83Å; T183-P203 WeakPolarHBondContact OG1-CA 3.47Å; L200-P203 HydrophobicContact CB-CB 4.09Å; L200-P203 HydrophobicContact CB-CG 4.03Å; P203-V239 HydrophobicContact CG-CG1 3.87Å; P203-I248 WeakPolarHBondContact O-CG2 3.29Å; P203-H252 VanDerWaalsContact O-CB 3.22Å; P203-H252 WeakPolarHBondContact O-CB 3.23Å; P203-I256 HydrophobicContact CB-CG1 4.32Å; P203-I256 HydrophobicContact CB-CG2 4.25Å; P203-I256 HydrophobicContact CG-CB 4.21Å; P203-I256 HydrophobicContact CG-CG1 4.39Å; P203-I256 HydrophobicContact CG-CG2 3.99Å
204	L	97.3	Very high	95.8	Very high	8 Å²	8	27.6 Å²	27.6	4%	0.042	17%	0.168	C	C	.	.			trans	-104.2	141.5	169	64.7	167.4	0	0	0	112.3	S180 I181 T183 V184 V210 S226 I248	S180-L204 WeakPolarHBondContact O-CD2 3.4Å; I181-L204 HydrophobicContact CD1-CD1 4.45Å; T183-L204 WeakPolarHBondContact OG1-CD2 3.31Å; V184-L204 HydrophobicContact CG2-CD1 4.31Å; V184-L204 HydrophobicContact CG2-CD2 3.54Å; V184-L204 HydrophobicContact CG2-CG 4.06Å; L204-V210 HydrophobicContact CB-CG2 3.78Å; L204-V210 HydrophobicContact CD1-CG2 3.91Å; L204-S226 VanDerWaalsContact O-CB 3.29Å; L204-S226 WeakPolarHBondContact O-CB 3.43Å; L204-I248 HydrophobicContact CB-CD1 4.31Å; L204-I248 HydrophobicContact CB-CG2 4.13Å
205	M	97.7	Very high	95.4	Very high	11 Å²	11	25.7 Å²	25.7	5%	0.054	15%	0.15	C	C	.	.	S	Bend	trans	-66.2	-51.1	171.1	-70.7	-172.3	-84.3	0	0	112.9	R209 P225 S226 I227 H252 Q255 I256	M205-R209 HydrophobicContact CB-CB 4.42Å; M205-R209 HydrophobicContact CE-CB 4.37Å; M205-P225 CarbonylContact O-C 3.18Å; M205-S226 PolarHBondContact O-N 3.1Å; M205-I227 HydrophobicContact CB-CB 3.95Å; M205-I227 HydrophobicContact CB-CG1 4.45Å; M205-I227 HydrophobicContact CB-CG2 4.36Å; M205-I227 HydrophobicContact CG-CB 4.28Å; M205-I227 HydrophobicContact CG-CD1 4.06Å; M205-I227 HydrophobicContact CG-CG1 4.31Å; M205-I227 PolarHBondContact O-N 2.91Å; M205-I227 HydrophobicContact SD-CD1 4.3Å; M205-I227 HydrophobicContact SD-CG1 4.4Å; M205-H252 HydrophobicContact CE-CB 4.39Å; M205-H252 HydrophobicContact CG-CB 4.32Å; M205-H252 PolarHBondContact N-ND1 3.48Å; M205-H252 VanDerWaalsContact N-ND1 3.15Å; M205-Q255 HydrophobicContact CE-CB 4.31Å; M205-Q255 HydrophobicContact CE-CG 4.18Å; M205-Q255 HydrophobicContact CG-CB 4.05Å; M205-Q255 HydrophobicContact SD-CB 3.36Å; M205-Q255 WeakPolarHBondContact SD-CB 3.47Å; M205-Q255 HydrophobicContact SD-CG 3.67Å; M205-I256 HydrophobicContact CG-CG1 4.25Å
206	S	96.5	Very high	95	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.184	C	C	.	.			trans	-166.7	162.3	175.7	71.2	0	0	0	0	111.1	L208 R209 V210 D222 F224	S206-L208 PolarHBondContact O-N 3.02Å; S206-R209 PolarHBondContact O-N 2.85Å; S206-R209 PolarHBondContact OG-N 3.48Å; S206-R209 PolarHBondContact OG-NH1 3.33Å; S206-V210 WeakPolarHBondContact O-CG2 3.47Å; S206-V210 PolarHBondContact O-N 3.11Å; S206-V210 VanDerWaalsContact O-N 3.15Å; S206-D222 VanDerWaalsContact CB-OD1 3.31Å; S206-D222 WeakPolarHBondContact CB-OD1 3.48Å; S206-D222 WeakPolarHBondContact CB-OD2 3.36Å; S206-D222 VanDerWaalsContact OG-CG 3.27Å; S206-D222 PolarHBondContact OG-OD1 3.2Å; S206-D222 PolarHBondContact OG-OD2 3.19Å; S206-F224 WeakPolarHBondContact CA-O 3.44Å
207	G	92.2	Very high	94.6	Very high	18 Å²	18	40.6 Å²	40.6	19%	0.186	21%	0.206	C	C	.	.	H	α-helix	trans	-63.3	-38.5	-179.9	0	0	0	0	0	112.9	R209 V210 A211 A223	G207-R209 VanDerWaalsContact C-N 3.33Å; G207-R209 PolarHBondContact O-N 3.44Å; G207-V210 PolarHBondContact O-N 2.94Å; G207-A211 PolarHBondContact O-N 3.28Å; G207-A211 VanDerWaalsContact O-N 3.12Å; G207-A223 PolarHBondContact N-O 3.47Å
208	L	92.9	Very high	94.3	Very high	16 Å²	16	42.2 Å²	42.2	8%	0.084	22%	0.216	C	C	.	.	H	α-helix	trans	-67.6	-34.9	177.4	-168.6	69.9	0	0	0	112	S206 A211 F212 T215 W219 F221 D222	S206-L208 PolarHBondContact O-N 3.02Å; L208-A211 PolarHBondContact O-N 3.18Å; L208-F212 HydrophobicContact CD1-CD2 3.52Å; L208-F212 HydrophobicContact CD1-CE2 3.87Å; L208-F212 HydrophobicContact CG-CD2 4.21Å; L208-F212 WeakPolarHBondContact O-CA 3.47Å; L208-F212 WeakPolarHBondContact O-CB 3.36Å; L208-F212 PolarHBondContact O-N 2.87Å; L208-T215 HydrophobicContact CD2-CG2 3.72Å; L208-T215 HydrophobicContact CG-CG2 4.02Å; L208-W219 HydrophobicContact CD2-CG 4.43Å; L208-F221 HydrophobicContact CD1-CE2 4.36Å; L208-F221 HydrophobicContact CD2-CE2 3.96Å; L208-D222 HydrophobicContact CB-CB 4.39Å; L208-D222 WeakPolarHBondContact CB-OD1 3.47Å; L208-D222 PolarHBondContact N-OD1 2.9Å
209	R	94.5	Very high	93.7	Very high	14 Å²	14	47.8 Å²	47.8	5%	0.053	24%	0.237	C	C	.	.	H	α-helix	trans	-69.8	-32.1	176	-75	175.9	179.8	89.7	-9	112.9	M205 S206 G207 F212 P213 T215 K216 R217 T218 D222 H252	M205-R209 HydrophobicContact CB-CB 4.42Å; M205-R209 HydrophobicContact CE-CB 4.37Å; S206-R209 PolarHBondContact O-N 2.85Å; S206-R209 PolarHBondContact OG-N 3.48Å; S206-R209 PolarHBondContact OG-NH1 3.33Å; G207-R209 VanDerWaalsContact C-N 3.33Å; G207-R209 PolarHBondContact O-N 3.44Å; R209-F212 CarbonylContact O-C 3.44Å; R209-P213 WeakPolarHBondContact O-CA 3.17Å; R209-T215 HydrophobicContact CG-CG2 3.99Å; R209-T215 WeakPolarHBondContact CG-O 3.45Å; R209-T215 PolarHBondContact NE-O 3.47Å; R209-K216 PolarHBondContact NH2-O 3.12Å; R209-R217 VanDerWaalsContact NH2-C 3.25Å; R209-T218 PolarHBondContact NH1-OG1 3.42Å; R209-T218 PolarHBondContact NH2-OG1 3.1Å; R209-T218 VanDerWaalsContact NH2-OG1 3.08Å; R209-D222 IonicContact NH1-OD2 3.47Å; R209-D222 PolarHBondContact NH1-OD2 3.15Å; R209-H252 PolarHBondContact O-NE2 2.97Å
210	V	93	Very high	93.1	Very high	52 Å²	52	54.2 Å²	54.2	32%	0.315	28%	0.28	S	S	.	.	H	α-helix	trans	-65.9	-46.2	172	174.3	0	0	0	0	110.3	L204 S206 G207 I248 H252	L204-V210 HydrophobicContact CB-CG2 3.78Å; L204-V210 HydrophobicContact CD1-CG2 3.91Å; S206-V210 WeakPolarHBondContact O-CG2 3.47Å; S206-V210 PolarHBondContact O-N 3.11Å; S206-V210 VanDerWaalsContact O-N 3.15Å; G207-V210 PolarHBondContact O-N 2.94Å; V210-I248 HydrophobicContact CB-CD1 4.44Å; V210-I248 HydrophobicContact CG1-CD1 3.85Å; V210-I248 HydrophobicContact CG2-CD1 3.62Å; V210-H252 VanDerWaalsContact CG2-CE1 3.46Å; V210-H252 WeakPolarHBondContact CG2-CE1 3.46Å; V210-H252 PolarHBondContact N-CE1 2.72Å
211	A	89.8	Confident	92.5	Very high	46 Å²	46	59.6 Å²	59.6	38%	0.38	30%	0.304	S	S	.	.	H	α-helix	trans	-75.4	-28.7	-178	0	0	0	0	0	113.7	G207 L208	G207-A211 PolarHBondContact O-N 3.28Å; G207-A211 VanDerWaalsContact O-N 3.12Å; L208-A211 PolarHBondContact O-N 3.18Å
212	F	91.1	Very high	92.1	Very high	53 Å²	53	60.2 Å²	60.2	23%	0.232	31%	0.307	C	S	.	.			trans	-139.3	87.8	-176.6	-54.5	-80.9	0	0	0	110	L16 L19 F20 L208 R209 E214 T215	L16-F212 HydrophobicContact CD2-CE1 3.78Å; L16-F212 HydrophobicContact CD2-CZ 3.71Å; L19-F212 HydrophobicContact CD1-CE2 4.43Å; L19-F212 HydrophobicContact CD1-CZ 4.26Å; F20-F212 AromaticContact CE2-CE1 3.88Å; F20-F212 HydrophobicContact CE2-CE1 3.88Å; F20-F212 HydrophobicContact CE2-CE2 4.04Å; F20-F212 AromaticContact CE2-CZ 3.41Å; F20-F212 HydrophobicContact CE2-CZ 3.41Å; F20-F212 VanDerWaalsContact CE2-CZ 3.41Å; F20-F212 HydrophobicContact CZ-CD1 4.4Å; F20-F212 HydrophobicContact CZ-CD2 4.15Å; F20-F212 AromaticContact CZ-CE1 3.8Å; F20-F212 HydrophobicContact CZ-CE1 3.8Å; F20-F212 AromaticContact CZ-CE2 3.5Å; F20-F212 HydrophobicContact CZ-CE2 3.5Å; F20-F212 AromaticContact CZ-CZ 3.31Å; F20-F212 HydrophobicContact CZ-CZ 3.31Å; L208-F212 HydrophobicContact CD1-CD2 3.52Å; L208-F212 HydrophobicContact CD1-CE2 3.87Å; L208-F212 HydrophobicContact CG-CD2 4.21Å; L208-F212 WeakPolarHBondContact O-CA 3.47Å; L208-F212 WeakPolarHBondContact O-CB 3.36Å; L208-F212 PolarHBondContact O-N 2.87Å; R209-F212 CarbonylContact O-C 3.44Å; F212-E214 PolarHBondContact O-N 2.66Å; F212-E214 VanDerWaalsContact O-N 3.07Å; F212-T215 WeakPolarHBondContact CB-OG1 3.25Å; F212-T215 WeakPolarHBondContact O-CB 3.43Å; F212-T215 PolarHBondContact O-N 2.93Å; F212-T215 PolarHBondContact O-OG1 3.1Å
213	P	89.8	Confident	91.8	Very high	94 Å²	94	61 Å²	61	61%	0.61	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-29.6	-172.3	-30.6	36.9	0	0	0	115.4	R209 T215	R209-P213 WeakPolarHBondContact O-CA 3.17Å; P213-T215 PolarHBondContact O-N 3.27Å; P213-T215 VanDerWaalsContact O-N 3.14Å
214	E	90.4	Very high	91.6	Very high	162 Å²	162	61.2 Å²	61.2	76%	0.757	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-0.9	177.9	-62.2	-56.4	141.2	0	0	114.3	F212 K216	F212-E214 PolarHBondContact O-N 2.66Å; F212-E214 VanDerWaalsContact O-N 3.07Å; E214-K216 PolarHBondContact O-N 3.1Å; E214-K216 VanDerWaalsContact O-N 3.14Å
215	T	90.1	Very high	91.5	Very high	25 Å²	25	62 Å²	62	15%	0.153	32%	0.32	C	S	.	.			trans	-71.1	106.3	-178.1	-62.7	0	0	0	0	111.8	L208 R209 F212 P213 R217	L208-T215 HydrophobicContact CD2-CG2 3.72Å; L208-T215 HydrophobicContact CG-CG2 4.02Å; R209-T215 HydrophobicContact CG-CG2 3.99Å; R209-T215 WeakPolarHBondContact CG-O 3.45Å; R209-T215 PolarHBondContact NE-O 3.47Å; F212-T215 WeakPolarHBondContact CB-OG1 3.25Å; F212-T215 WeakPolarHBondContact O-CB 3.43Å; F212-T215 PolarHBondContact O-N 2.93Å; F212-T215 PolarHBondContact O-OG1 3.1Å; P213-T215 PolarHBondContact O-N 3.27Å; P213-T215 VanDerWaalsContact O-N 3.14Å; T215-R217 VanDerWaalsContact CG2-O 3.29Å; T215-R217 WeakPolarHBondContact CG2-O 3.43Å
216	K	89.6	Confident	91.5	Very high	185 Å²	185	61.5 Å²	61.5	80%	0.804	32%	0.317	S	S	*	.			trans	-91.7	-26	178.5	-62	-177.4	-176.8	-179.1	0	114.3	R209 E214	R209-K216 PolarHBondContact NH2-O 3.12Å; E214-K216 PolarHBondContact O-N 3.1Å; E214-K216 VanDerWaalsContact O-N 3.14Å
217	R	90.7	Very high	91.6	Very high	162 Å²	162	61.8 Å²	61.8	61%	0.611	32%	0.319	S	S	*	.	S	Bend	trans	-103.8	141.9	-177.3	175.6	179.8	-77.9	179.8	-3.4	111.3	R209 T215 W219	R209-R217 VanDerWaalsContact NH2-C 3.25Å; T215-R217 VanDerWaalsContact CG2-O 3.29Å; T215-R217 WeakPolarHBondContact CG2-O 3.43Å; R217-W219 HydrophobicContact CG-CD2 4.43Å; R217-W219 HydrophobicContact CG-CZ2 4.49Å
218	T	90.9	Very high	91.8	Very high	35 Å²	35	65.8 Å²	65.8	22%	0.215	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-85.3	121.4	169.2	-51.7	0	0	0	0	109.6	R209 D222 P225 E228	R209-T218 PolarHBondContact NH1-OG1 3.42Å; R209-T218 PolarHBondContact NH2-OG1 3.1Å; R209-T218 VanDerWaalsContact NH2-OG1 3.08Å; T218-D222 HydrophobicContact CG2-CB 4.1Å; T218-P225 HydrophobicContact CG2-CB 3.87Å; T218-E228 VanDerWaalsContact CB-OE1 3.23Å; T218-E228 WeakPolarHBondContact CB-OE1 3.49Å; T218-E228 HydrophobicContact CG2-CG 3.78Å; T218-E228 PolarHBondContact OG1-OE1 2.67Å
219	W	87	Confident	92.1	Very high	117 Å²	117	66.8 Å²	66.8	44%	0.443	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-98.6	160.7	179.8	-60.8	93.4	0	0	0	111.1	L208 R217 F221 D222	L208-W219 HydrophobicContact CD2-CG 4.43Å; R217-W219 HydrophobicContact CG-CD2 4.43Å; R217-W219 HydrophobicContact CG-CZ2 4.49Å; W219-F221 HydrophobicContact CB-CD1 3.97Å; W219-F221 HydrophobicContact CB-CD2 4.31Å; W219-F221 HydrophobicContact CB-CE1 3.55Å; W219-F221 HydrophobicContact CB-CE2 3.92Å; W219-F221 HydrophobicContact CB-CG 4.33Å; W219-F221 HydrophobicContact CB-CZ 3.52Å; W219-F221 HydrophobicContact CD2-CE1 4.39Å; W219-F221 HydrophobicContact CD2-CZ 4.26Å; W219-F221 HydrophobicContact CG-CE1 4.01Å; W219-F221 HydrophobicContact CG-CE2 4.31Å; W219-F221 AromaticContact CG-CZ 3.7Å; W219-F221 HydrophobicContact CG-CZ 3.7Å; W219-F221 PolarHBondContact O-N 3.29Å; W219-F221 VanDerWaalsContact O-N 3.15Å; W219-D222 WeakPolarHBondContact O-CB 3.31Å; W219-D222 PolarHBondContact O-N 2.97Å
220	C	85.8	Confident	92.3	Very high	135 Å²	135	66.1 Å²	66.1	91%	0.912	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-18.7	-178.2	61.5	0	0	0	0	114.4
221	F	87.3	Confident	92.6	Very high	115 Å²	115	65.8 Å²	65.8	50%	0.504	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	3.2	175.1	56.4	-98.7	0	0	0	112.8	L208 W219 A223	L208-F221 HydrophobicContact CD1-CE2 4.36Å; L208-F221 HydrophobicContact CD2-CE2 3.96Å; W219-F221 HydrophobicContact CB-CD1 3.97Å; W219-F221 HydrophobicContact CB-CD2 4.31Å; W219-F221 HydrophobicContact CB-CE1 3.55Å; W219-F221 HydrophobicContact CB-CE2 3.92Å; W219-F221 HydrophobicContact CB-CG 4.33Å; W219-F221 HydrophobicContact CB-CZ 3.52Å; W219-F221 HydrophobicContact CD2-CE1 4.39Å; W219-F221 HydrophobicContact CD2-CZ 4.26Å; W219-F221 HydrophobicContact CG-CE1 4.01Å; W219-F221 HydrophobicContact CG-CE2 4.31Å; W219-F221 AromaticContact CG-CZ 3.7Å; W219-F221 HydrophobicContact CG-CZ 3.7Å; W219-F221 PolarHBondContact O-N 3.29Å; W219-F221 VanDerWaalsContact O-N 3.15Å; F221-A223 PolarHBondContact O-N 2.63Å
222	D	90.9	Very high	93	Very high	14 Å²	14	70.5 Å²	70.5	8%	0.075	35%	0.353	C	S	.	.			trans	-68.7	128.7	176.6	-162.9	-3.3	0	0	0	109.7	S206 L208 R209 T218 W219	S206-D222 VanDerWaalsContact CB-OD1 3.31Å; S206-D222 WeakPolarHBondContact CB-OD1 3.48Å; S206-D222 WeakPolarHBondContact CB-OD2 3.36Å; S206-D222 VanDerWaalsContact OG-CG 3.27Å; S206-D222 PolarHBondContact OG-OD1 3.2Å; S206-D222 PolarHBondContact OG-OD2 3.19Å; L208-D222 HydrophobicContact CB-CB 4.39Å; L208-D222 WeakPolarHBondContact CB-OD1 3.47Å; L208-D222 PolarHBondContact N-OD1 2.9Å; R209-D222 IonicContact NH1-OD2 3.47Å; R209-D222 PolarHBondContact NH1-OD2 3.15Å; T218-D222 HydrophobicContact CG2-CB 4.1Å; W219-D222 WeakPolarHBondContact O-CB 3.31Å; W219-D222 PolarHBondContact O-N 2.97Å
223	A	91.9	Very high	93.3	Very high	17 Å²	17	68.1 Å²	68.1	14%	0.14	34%	0.343	C	S	.	.	S	Bend	trans	-85.5	147.3	178.3	0	0	0	0	0	109.8	V30 G207 F221	V30-A223 HydrophobicContact CG1-CB 3.91Å; G207-A223 PolarHBondContact N-O 3.47Å; F221-A223 PolarHBondContact O-N 2.63Å
224	F	93.7	Very high	93.7	Very high	7 Å²	7	66.5 Å²	66.5	3%	0.031	33%	0.334	C	S	.	.			trans	55	49.1	171.5	-41.6	-57.3	0	0	0	115.1	V30 A34 F35 E149 L152 I181 V184 S206 S226	V30-F224 HydrophobicContact CG1-CE2 4.48Å; A34-F224 HydrophobicContact CB-CE2 3.71Å; A34-F224 HydrophobicContact CB-CZ 3.89Å; F35-F224 HydrophobicContact CE2-CE1 4.27Å; F35-F224 AromaticContact CE2-CZ 3.85Å; F35-F224 HydrophobicContact CE2-CZ 3.85Å; F35-F224 AromaticContact CZ-CE1 3.79Å; F35-F224 HydrophobicContact CZ-CE1 3.79Å; F35-F224 AromaticContact CZ-CZ 3.65Å; F35-F224 HydrophobicContact CZ-CZ 3.65Å; E149-F224 HydrophobicContact CB-CD1 3.79Å; E149-F224 HydrophobicContact CB-CE1 3.5Å; E149-F224 VanDerWaalsContact CB-CE1 3.5Å; E149-F224 VanDerWaalsContact CD-N 3.29Å; E149-F224 HydrophobicContact CG-CD1 3.65Å; E149-F224 HydrophobicContact CG-CE1 3.92Å; E149-F224 WeakPolarHBondContact OE1-CA 3.49Å; E149-F224 PolarHBondContact OE1-N 3.31Å; E149-F224 PolarHBondContact OE2-N 3.33Å; L152-F224 HydrophobicContact CD1-CE1 4.16Å; I181-F224 HydrophobicContact CD1-CD2 4.13Å; I181-F224 HydrophobicContact CD1-CE2 3.97Å; I181-F224 HydrophobicContact CD1-CG 4.49Å; I181-F224 HydrophobicContact CD1-CZ 4.16Å; V184-F224 HydrophobicContact CB-CB 4.4Å; V184-F224 HydrophobicContact CG1-CB 3.73Å; V184-F224 HydrophobicContact CG1-CD1 3.71Å; V184-F224 HydrophobicContact CG1-CG 4.07Å; V184-F224 HydrophobicContact CG2-CB 3.73Å; V184-F224 HydrophobicContact CG2-CD1 4.45Å; V184-F224 HydrophobicContact CG2-CG 4.15Å; S206-F224 WeakPolarHBondContact CA-O 3.44Å; F224-S226 PolarHBondContact O-N 2.7Å
225	P	95.4	Very high	94.1	Very high	23 Å²	23	59.1 Å²	59.1	15%	0.149	30%	0.3	C	S	.	.			trans	-74.3	64.4	-173.1	33.7	-38.3	0	0	0	113	E149 M205 T218 I227 E228	E149-P225 WeakPolarHBondContact OE1-CD 3.25Å; M205-P225 CarbonylContact O-C 3.18Å; T218-P225 HydrophobicContact CG2-CB 3.87Å; P225-I227 PolarHBondContact O-N 3.16Å; P225-E228 HydrophobicContact CB-CB 4.43Å; P225-E228 HydrophobicContact CB-CG 4.08Å; P225-E228 PolarHBondContact O-N 3.37Å; P225-E228 VanDerWaalsContact O-N 3.11Å
226	S	98.4	Very high	94.5	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.007	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-56.1	-35.4	177.5	-63	0	0	0	0	112	L204 M205 F224 E228 K229 V230	L204-S226 VanDerWaalsContact O-CB 3.29Å; L204-S226 WeakPolarHBondContact O-CB 3.43Å; M205-S226 PolarHBondContact O-N 3.1Å; F224-S226 PolarHBondContact O-N 2.7Å; S226-E228 PolarHBondContact O-N 3.45Å; S226-K229 PolarHBondContact O-N 2.76Å; S226-V230 PolarHBondContact O-N 3.38Å
227	I	98	Very high	94.9	Very high	7 Å²	7	51.1 Å²	51.1	4%	0.036	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-62.6	-24.6	178.9	-163.1	61.8	0	0	0	113.4	M205 P225 K229 V230 Q255 I256 K259	M205-I227 HydrophobicContact CB-CB 3.95Å; M205-I227 HydrophobicContact CB-CG1 4.45Å; M205-I227 HydrophobicContact CB-CG2 4.36Å; M205-I227 HydrophobicContact CG-CB 4.28Å; M205-I227 HydrophobicContact CG-CD1 4.06Å; M205-I227 HydrophobicContact CG-CG1 4.31Å; M205-I227 PolarHBondContact O-N 2.91Å; M205-I227 HydrophobicContact SD-CD1 4.3Å; M205-I227 HydrophobicContact SD-CG1 4.4Å; P225-I227 PolarHBondContact O-N 3.16Å; I227-K229 VanDerWaalsContact C-N 3.35Å; I227-V230 HydrophobicContact CD1-CG1 4.33Å; I227-Q255 HydrophobicContact CD1-CB 4.31Å; I227-I256 HydrophobicContact CD1-CD1 4.01Å; I227-K259 HydrophobicContact CD1-CB 4.25Å; I227-K259 HydrophobicContact CD1-CD 3.53Å; I227-K259 HydrophobicContact CD1-CG 4Å; I227-K259 HydrophobicContact CG1-CD 3.93Å
228	E	97.6	Very high	95.3	Very high	102 Å²	102	43.4 Å²	43.4	48%	0.477	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-84.1	-12.7	175	-59.9	-57.7	146.2	0	0	112.8	T218 P225 S226	T218-E228 VanDerWaalsContact CB-OE1 3.23Å; T218-E228 WeakPolarHBondContact CB-OE1 3.49Å; T218-E228 HydrophobicContact CG2-CG 3.78Å; T218-E228 PolarHBondContact OG1-OE1 2.67Å; P225-E228 HydrophobicContact CB-CB 4.43Å; P225-E228 HydrophobicContact CB-CG 4.08Å; P225-E228 PolarHBondContact O-N 3.37Å; P225-E228 VanDerWaalsContact O-N 3.11Å; S226-E228 PolarHBondContact O-N 3.45Å
229	K	98.5	Very high	95.7	Very high	36 Å²	36	41.8 Å²	41.8	16%	0.157	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-31.8	-175	-60.8	180	-171	-178.9	0	112.6	Y153 V187 D188 S226 I227 G231 K232	Y153-K229 PolarHBondContact OH-NZ 3.11Å; V187-K229 HydrophobicContact CG1-CB 3.85Å; D188-K229 HydrophobicContact CB-CD 4.15Å; D188-K229 IonicContact OD1-NZ 3.2Å; D188-K229 PolarHBondContact OD1-NZ 3.15Å; S226-K229 PolarHBondContact O-N 2.76Å; I227-K229 VanDerWaalsContact C-N 3.35Å; K229-G231 PolarHBondContact O-N 2.84Å; K229-K232 WeakPolarHBondContact O-CB 3.29Å; K229-K232 PolarHBondContact O-N 3.24Å
230	V	98.6	Very high	96.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-58.3	-32.7	-173.9	70.7	0	0	0	0	113.2	V187 S226 I227 K232 V233 I256 K259 C260	V187-V230 HydrophobicContact CG1-CB 4.16Å; S226-V230 PolarHBondContact O-N 3.38Å; I227-V230 HydrophobicContact CD1-CG1 4.33Å; V230-K232 PolarHBondContact O-N 3.28Å; V230-V233 WeakPolarHBondContact O-CB 3.47Å; V230-V233 PolarHBondContact O-N 2.79Å; V230-I256 HydrophobicContact CB-CD1 4.22Å; V230-I256 HydrophobicContact CG1-CD1 4.12Å; V230-I256 HydrophobicContact CG2-CG2 4.13Å; V230-K259 HydrophobicContact CG1-CB 3.68Å; V230-C260 HydrophobicContact CG2-CB 3.76Å
231	G	98.4	Very high	96.9	Very high	45 Å²	45	29.8 Å²	29.8	46%	0.464	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-62.5	-9.2	175.7	0	0	0	0	0	115	K229 K259 P261	K229-G231 PolarHBondContact O-N 2.84Å; G231-K259 WeakPolarHBondContact CA-O 3.41Å; G231-P261 VanDerWaalsContact O-CG 3.27Å; G231-P261 WeakPolarHBondContact O-CG 3.34Å
232	K	98.6	Very high	97.4	Very high	145 Å²	145	24.3 Å²	24.3	63%	0.63	14%	0.14	S	C	*	.	G	3₁₀ helix	trans	-104	-5	176.7	-60.4	174.8	-176.3	174.4	0	113	K229 V230 S234	K229-K232 WeakPolarHBondContact O-CB 3.29Å; K229-K232 PolarHBondContact O-N 3.24Å; V230-K232 PolarHBondContact O-N 3.28Å; K232-S234 PolarHBondContact O-N 2.77Å
233	V	98.7	Very high	97.8	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.018	15%	0.147	C	C	.	.			trans	-71.3	116.7	177.2	177.4	0	0	0	0	108.5	V187 A190 V198 V230 T237	V187-V233 HydrophobicContact CG1-CG2 4.48Å; A190-V233 HydrophobicContact CB-CG1 4.01Å; A190-V233 HydrophobicContact CB-CG2 3.85Å; V198-V233 HydrophobicContact CG2-CG1 3.99Å; V230-V233 WeakPolarHBondContact O-CB 3.47Å; V230-V233 PolarHBondContact O-N 2.79Å; V233-T237 WeakPolarHBondContact CG1-OG1 3.36Å
234	S	97.4	Very high	98.1	Very high	61 Å²	61	29.1 Å²	29.1	43%	0.427	17%	0.165	S	C	.	.			trans	-104.9	1.4	-174	63.4	0	0	0	0	113.8	K232 K262	K232-S234 PolarHBondContact O-N 2.77Å; S234-K262 WeakPolarHBondContact O-CD 3.32Å; S234-K262 WeakPolarHBondContact O-CE 3.47Å; S234-K262 PolarHBondContact O-NZ 3.33Å
235	A	98.4	Very high	98.3	Very high	6 Å²	6	29 Å²	29	5%	0.05	17%	0.165	C	C	.	.	S	Bend	trans	-92.6	150.4	175.9	0	0	0	0	0	110.8	V195 V198 T237	V195-A235 HydrophobicContact CG2-CB 3.93Å; V198-A235 HydrophobicContact CG2-CB 4.15Å; A235-T237 PolarHBondContact O-N 2.9Å; A235-T237 PolarHBondContact O-OG1 2.88Å
236	P	98.4	Very high	98.2	Very high	42 Å²	42	37.2 Å²	37.2	27%	0.273	20%	0.201	S	C	.	.			trans	-48.5	128	167.8	-25.2	34.4	0	0	0	110.3	A197 V198 K262 V264 F290 L295	A197-P236 CarbonylContact C-O 3.6Å; A197-P236 WeakPolarHBondContact CA-O 3.35Å; V198-P236 PolarHBondContact N-O 2.82Å; P236-K262 WeakPolarHBondContact CA-O 3.49Å; P236-V264 HydrophobicContact CB-CG1 4.22Å; P236-F290 HydrophobicContact CB-CE2 3.94Å; P236-F290 HydrophobicContact CB-CZ 4.08Å; P236-L295 HydrophobicContact CB-CD2 3.99Å; P236-L295 HydrophobicContact CG-CD2 4.05Å
237	T	98.9	Very high	98	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	116	-171.9	-60.1	0	0	0	0	111	V198 L200 V233 A235 V239 C260 K262 A263 V264	V198-T237 HydrophobicContact CB-CG2 4.08Å; V198-T237 HydrophobicContact CG1-CG2 4.19Å; V198-T237 CarbonylContact O-C 3.53Å; V198-T237 VanDerWaalsContact O-CA 3.29Å; V198-T237 WeakPolarHBondContact O-CA 3.43Å; L200-T237 HydrophobicContact CD1-CG2 4.01Å; L200-T237 HydrophobicContact CG-CG2 4.19Å; V233-T237 WeakPolarHBondContact CG1-OG1 3.36Å; A235-T237 PolarHBondContact O-N 2.9Å; A235-T237 PolarHBondContact O-OG1 2.88Å; T237-V239 HydrophobicContact CG2-CG2 4.38Å; T237-C260 WeakPolarHBondContact CB-SG 3.49Å; T237-C260 PolarHBondContact OG1-SG 3.29Å; T237-K262 PolarHBondContact N-O 3.17Å; T237-A263 WeakPolarHBondContact O-CA 3.42Å; T237-V264 WeakPolarHBondContact O-CG2 3.47Å; T237-V264 PolarHBondContact O-N 2.75Å
238	L	98.9	Very high	97.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	125.9	170.7	172.8	59.8	0	0	0	109.3	V198 I199 L200 I240 V264 E265 R286 L287 F290	V198-L238 PolarHBondContact O-N 2.88Å; I199-L238 CarbonylContact C-O 3.59Å; I199-L238 WeakPolarHBondContact CA-O 3.39Å; I199-L238 HydrophobicContact CG1-CB 4.36Å; L200-L238 PolarHBondContact N-O 2.99Å; L238-I240 HydrophobicContact CD1-CG1 4.37Å; L238-I240 HydrophobicContact CD2-CD1 3.99Å; L238-I240 HydrophobicContact CD2-CG1 4.09Å; L238-I240 HydrophobicContact CG-CD1 4.31Å; L238-I240 HydrophobicContact CG-CG1 3.88Å; L238-V264 HydrophobicContact CB-CG2 3.92Å; L238-V264 HydrophobicContact CD1-CG2 4.31Å; L238-E265 VanDerWaalsContact CD1-O 3.28Å; L238-E265 WeakPolarHBondContact CD1-O 3.41Å; L238-R286 HydrophobicContact CD1-CG 3.96Å; L238-R286 HydrophobicContact CD2-CG 3.9Å; L238-L287 HydrophobicContact CD2-CD2 4.05Å; L238-F290 HydrophobicContact CB-CD1 3.76Å; L238-F290 HydrophobicContact CB-CE1 3.68Å; L238-F290 HydrophobicContact CB-CG 4.22Å; L238-F290 HydrophobicContact CB-CZ 4.08Å; L238-F290 HydrophobicContact CD2-CB 4.12Å; L238-F290 HydrophobicContact CD2-CD1 3.89Å; L238-F290 HydrophobicContact CD2-CG 4.18Å; L238-F290 HydrophobicContact CG-CD1 4.48Å
239	V	98.9	Very high	97.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	131.3	170.3	-170.8	0	0	0	0	109.1	L200 P203 T237 I256 Y257 P266 L267 W268	L200-V239 WeakPolarHBondContact O-CA 3.48Å; P203-V239 HydrophobicContact CG-CG1 3.87Å; T237-V239 HydrophobicContact CG2-CG2 4.38Å; V239-I256 HydrophobicContact CG2-CG2 4.36Å; V239-Y257 HydrophobicContact CG2-CD2 4.35Å; V239-P266 CarbonylContact O-C 3.59Å; V239-P266 WeakPolarHBondContact O-CA 3.33Å; V239-P266 WeakPolarHBondContact O-CB 3.19Å; V239-L267 PolarHBondContact O-N 3.27Å; V239-W268 HydrophobicContact CB-CH2 3.92Å; V239-W268 HydrophobicContact CB-CZ3 4.17Å; V239-W268 HydrophobicContact CG1-CH2 3.71Å; V239-W268 HydrophobicContact CG1-CZ3 3.73Å
240	I	98.9	Very high	97.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.6	178.9	-50.6	178.6	0	0	0	107.9	I199 L200 H201 S202 L238 L267 V277 Y283 L287	I199-I240 HydrophobicContact CG2-CD1 3.88Å; I199-I240 HydrophobicContact CG2-CG1 4.43Å; L200-I240 PolarHBondContact O-N 3.07Å; H201-I240 WeakPolarHBondContact CA-O 3.44Å; S202-I240 PolarHBondContact N-O 3.02Å; L238-I240 HydrophobicContact CD1-CG1 4.37Å; L238-I240 HydrophobicContact CD2-CD1 3.99Å; L238-I240 HydrophobicContact CD2-CG1 4.09Å; L238-I240 HydrophobicContact CG-CD1 4.31Å; L238-I240 HydrophobicContact CG-CG1 3.88Å; I240-L267 VanDerWaalsContact CA-O 3.31Å; I240-L267 WeakPolarHBondContact CA-O 3.44Å; I240-L267 HydrophobicContact CG1-CB 4.27Å; I240-L267 HydrophobicContact CG2-CB 4.16Å; I240-L267 HydrophobicContact CG2-CD2 3.87Å; I240-L267 HydrophobicContact CG2-CG 4.1Å; I240-V277 HydrophobicContact CG2-CG1 3.52Å; I240-Y283 HydrophobicContact CD1-CD2 4.13Å; I240-Y283 HydrophobicContact CD1-CE2 3.87Å; I240-Y283 HydrophobicContact CG2-CD2 4.32Å; I240-L287 HydrophobicContact CD1-CD2 4.06Å; I240-L287 HydrophobicContact CD1-CG 4.48Å
241	H	98.8	Very high	97.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	141	179.9	-142	121.3	0	0	0	111.3	D245 I248 F250 G253 L267 W268 V269	H241-D245 IonicContact CD2-OD2 3.26Å; H241-D245 IonicContact NE2-OD2 3.82Å; H241-D245 PolarHBondContact NE2-OD2 2.92Å; H241-I248 PolarHBondContact NE2-O 3.19Å; H241-F250 HydrophobicContact CB-CD2 4.06Å; H241-F250 HydrophobicContact CB-CE2 4.33Å; H241-G253 VanDerWaalsContact ND1-CA 3.29Å; H241-G253 WeakPolarHBondContact ND1-CA 3.39Å; H241-G253 PolarHBondContact ND1-N 3.14Å; H241-L267 PolarHBondContact N-O 2.86Å; H241-W268 HydrophobicContact CB-CE3 3.8Å; H241-W268 HydrophobicContact CB-CZ3 3.71Å; H241-W268 WeakPolarHBondContact O-CA 3.19Å; H241-V269 PolarHBondContact O-N 3.08Å
242	G	98.6	Very high	97.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	137.8	168.2	0	0	0	0	0	111.3	D244 A272	G242-D244 PolarHBondContact O-N 3.08Å; G242-A272 CarbonylContact C-O 3.58Å; G242-A272 VanDerWaalsContact C-O 3.23Å; G242-A272 WeakPolarHBondContact CA-O 3.46Å
243	T	98.5	Very high	97.7	Very high	37 Å²	37	36 Å²	36	23%	0.227	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-19.2	-178.4	61	0	0	0	0	113.6	F250 W268 V269 H270 G271 A272	T243-F250 HydrophobicContact CG2-CD2 4.39Å; T243-F250 HydrophobicContact CG2-CE2 4.26Å; T243-W268 HydrophobicContact CG2-CB 4.31Å; T243-V269 PolarHBondContact N-O 3.16Å; T243-V269 VanDerWaalsContact N-O 3.08Å; T243-H270 WeakPolarHBondContact OG1-CA 3.49Å; T243-G271 PolarHBondContact OG1-N 3.09Å; T243-A272 PolarHBondContact N-O 3.01Å
244	D	98.3	Very high	97.7	Very high	95 Å²	95	38.2 Å²	38.2	51%	0.508	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	26.2	-174.9	-60	19.9	0	0	0	109.7	G242 E246 A272	G242-D244 PolarHBondContact O-N 3.08Å; D244-E246 PolarHBondContact O-N 3.48Å; D244-A272 CarbonylContact C-O 3.56Å; D244-A272 WeakPolarHBondContact CA-O 3.2Å; D244-A272 PolarHBondContact N-O 3.12Å
245	D	97.8	Very high	97.8	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.027	19%	0.194	C	C	.	.			trans	-68.6	100	179.9	-171.2	-21.8	0	0	0	111.4	S202 H241 V247 I248 D249 H274	S202-D245 PolarHBondContact OG-OD2 3.29Å; H241-D245 IonicContact CD2-OD2 3.26Å; H241-D245 IonicContact NE2-OD2 3.82Å; H241-D245 PolarHBondContact NE2-OD2 2.92Å; D245-V247 VanDerWaalsContact C-N 3.3Å; D245-V247 PolarHBondContact O-N 3.38Å; D245-V247 PolarHBondContact OD1-N 3.33Å; D245-I248 WeakPolarHBondContact CB-O 3.39Å; D245-I248 CarbonylContact O-C 3.54Å; D245-I248 PolarHBondContact OD1-N 3.15Å; D245-D249 WeakPolarHBondContact O-CA 3.35Å; D245-H274 VanDerWaalsContact CG-ND1 3.29Å; D245-H274 VanDerWaalsContact OD1-CB 3.25Å; D245-H274 WeakPolarHBondContact OD1-CB 3.16Å; D245-H274 IonicContact OD1-CG 3.38Å; D245-H274 IonicContact OD1-ND1 3.33Å; D245-H274 PolarHBondContact OD1-ND1 3.49Å; D245-H274 VanDerWaalsContact OD1-ND1 3.08Å; D245-H274 IonicContact OD2-CE1 3.61Å; D245-H274 IonicContact OD2-CG 2.73Å; D245-H274 IonicContact OD2-ND1 3.06Å; D245-H274 PolarHBondContact OD2-ND1 2.81Å
246	E	93.6	Very high	97.8	Very high	196 Å²	196	37.1 Å²	37.1	92%	0.916	19%	0.191	S	C	*	.	S	Bend	trans	-80.3	-4.7	178.8	-59.4	-173.5	146.8	0	0	114.1	D244	D244-E246 PolarHBondContact O-N 3.48Å
247	V	93.6	Very high	97.8	Very high	72 Å²	72	38.1 Å²	38.1	44%	0.436	19%	0.19	S	C	.	.	S	Bend	trans	-96.8	-49.2	179.9	-179	0	0	0	0	110.3	D245 H274	D245-V247 VanDerWaalsContact C-N 3.3Å; D245-V247 PolarHBondContact O-N 3.38Å; D245-V247 PolarHBondContact OD1-N 3.33Å; V247-H274 HydrophobicContact CB-CB 3.84Å; V247-H274 HydrophobicContact CG2-CB 3.68Å
248	I	95.2	Very high	97.8	Very high	12 Å²	12	43.7 Å²	43.7	6%	0.062	22%	0.216	C	C	.	.	S	Bend	trans	-125.8	99.3	174	-55.2	-63.3	0	0	0	106.4	P203 L204 V210 H241 D245 F250 H252	P203-I248 WeakPolarHBondContact O-CG2 3.29Å; L204-I248 HydrophobicContact CB-CD1 4.31Å; L204-I248 HydrophobicContact CB-CG2 4.13Å; V210-I248 HydrophobicContact CB-CD1 4.44Å; V210-I248 HydrophobicContact CG1-CD1 3.85Å; V210-I248 HydrophobicContact CG2-CD1 3.62Å; H241-I248 PolarHBondContact NE2-O 3.19Å; D245-I248 WeakPolarHBondContact CB-O 3.39Å; D245-I248 CarbonylContact O-C 3.54Å; D245-I248 PolarHBondContact OD1-N 3.15Å; I248-F250 PolarHBondContact O-N 3.06Å; I248-H252 HydrophobicContact CG2-CB 3.78Å
249	D	97	Very high	97.8	Very high	89 Å²	89	48.5 Å²	48.5	48%	0.476	24%	0.237	S	C	.	.			trans	-47.9	138.3	-176.5	-178.2	-88.4	0	0	0	112.1	D245 H251 H252	D245-D249 WeakPolarHBondContact O-CA 3.35Å; D249-H251 PolarHBondContact O-N 3.38Å; D249-H251 WeakPolarHBondContact OD1-CA 3.49Å; D249-H251 WeakPolarHBondContact OD1-CB 3.41Å; D249-H251 PolarHBondContact OD1-N 3.11Å; D249-H252 VanDerWaalsContact O-CB 3.32Å; D249-H252 WeakPolarHBondContact O-CB 3.24Å; D249-H252 PolarHBondContact O-N 2.63Å
250	F	98.1	Very high	97.7	Very high	47 Å²	47	48.9 Å²	48.9	21%	0.206	24%	0.24	C	C	.	.	H	α-helix	trans	-49	-31.9	-178.9	173.4	-109.9	0	0	0	113.5	H241 T243 I248 H252 G253 L254 W268	H241-F250 HydrophobicContact CB-CD2 4.06Å; H241-F250 HydrophobicContact CB-CE2 4.33Å; T243-F250 HydrophobicContact CG2-CD2 4.39Å; T243-F250 HydrophobicContact CG2-CE2 4.26Å; I248-F250 PolarHBondContact O-N 3.06Å; F250-H252 PolarHBondContact O-N 3.03Å; F250-H252 VanDerWaalsContact O-N 3.14Å; F250-G253 PolarHBondContact O-N 2.58Å; F250-L254 PolarHBondContact O-N 3.26Å; F250-L254 VanDerWaalsContact O-N 3.11Å; F250-W268 HydrophobicContact CE2-CB 4.08Å; F250-W268 AromaticContact CE2-CD2 3.59Å; F250-W268 HydrophobicContact CE2-CD2 3.59Å; F250-W268 AromaticContact CE2-CE3 3.58Å; F250-W268 HydrophobicContact CE2-CE3 3.58Å; F250-W268 AromaticContact CE2-CG 3.83Å; F250-W268 HydrophobicContact CE2-CG 3.83Å; F250-W268 HydrophobicContact CE2-CZ3 4.22Å; F250-W268 HydrophobicContact CZ-CB 4.33Å; F250-W268 AromaticContact CZ-CD2 3.85Å; F250-W268 HydrophobicContact CZ-CD2 3.85Å; F250-W268 HydrophobicContact CZ-CE3 4.27Å; F250-W268 AromaticContact CZ-CG 3.87Å; F250-W268 HydrophobicContact CZ-CG 3.87Å
251	H	97.6	Very high	97.7	Very high	85 Å²	85	53 Å²	53	39%	0.394	27%	0.266	S	S	.	.	H	α-helix	trans	-56.8	-29	176.3	-172.7	62.7	0	0	0	112.9	D249 L254 Q255	D249-H251 PolarHBondContact O-N 3.38Å; D249-H251 WeakPolarHBondContact OD1-CA 3.49Å; D249-H251 WeakPolarHBondContact OD1-CB 3.41Å; D249-H251 PolarHBondContact OD1-N 3.11Å; H251-L254 PolarHBondContact O-N 2.55Å; H251-Q255 VanDerWaalsContact CE1-CG 3.45Å; H251-Q255 WeakPolarHBondContact CE1-CG 3.44Å; H251-Q255 PolarHBondContact CE1-NE2 2.95Å; H251-Q255 WeakPolarHBondContact NE2-CG 3.33Å; H251-Q255 WeakPolarHBondContact O-CB 3.26Å; H251-Q255 VanDerWaalsContact O-CG 3.29Å; H251-Q255 WeakPolarHBondContact O-CG 3.44Å; H251-Q255 PolarHBondContact O-N 3.21Å
252	H	98.5	Very high	97.6	Very high	6 Å²	6	58.4 Å²	58.4	3%	0.028	29%	0.29	C	S	.	.	H	α-helix	trans	-63.7	-45.7	174.6	-73.9	-126.1	0	0	0	112.2	P203 M205 R209 V210 I248 D249 F250 I256	P203-H252 VanDerWaalsContact O-CB 3.22Å; P203-H252 WeakPolarHBondContact O-CB 3.23Å; M205-H252 HydrophobicContact CE-CB 4.39Å; M205-H252 HydrophobicContact CG-CB 4.32Å; M205-H252 PolarHBondContact N-ND1 3.48Å; M205-H252 VanDerWaalsContact N-ND1 3.15Å; R209-H252 PolarHBondContact O-NE2 2.97Å; V210-H252 VanDerWaalsContact CG2-CE1 3.46Å; V210-H252 WeakPolarHBondContact CG2-CE1 3.46Å; V210-H252 PolarHBondContact N-CE1 2.72Å; I248-H252 HydrophobicContact CG2-CB 3.78Å; D249-H252 VanDerWaalsContact O-CB 3.32Å; D249-H252 WeakPolarHBondContact O-CB 3.24Å; D249-H252 PolarHBondContact O-N 2.63Å; F250-H252 PolarHBondContact O-N 3.03Å; F250-H252 VanDerWaalsContact O-N 3.14Å; H252-I256 WeakPolarHBondContact O-CB 3.45Å; H252-I256 VanDerWaalsContact O-CG1 3.25Å; H252-I256 WeakPolarHBondContact O-CG1 3.35Å; H252-I256 PolarHBondContact O-N 2.78Å
253	G	98.6	Very high	97.6	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-59.8	-47.5	173.9	0	0	0	0	0	111.7	H241 F250 Q255 I256 Y257	H241-G253 VanDerWaalsContact ND1-CA 3.29Å; H241-G253 WeakPolarHBondContact ND1-CA 3.39Å; H241-G253 PolarHBondContact ND1-N 3.14Å; F250-G253 PolarHBondContact O-N 2.58Å; G253-Q255 PolarHBondContact O-N 2.74Å; G253-I256 PolarHBondContact O-N 3.22Å; G253-Y257 VanDerWaalsContact O-CB 3.32Å; G253-Y257 WeakPolarHBondContact O-CB 3.46Å; G253-Y257 PolarHBondContact O-N 3.01Å
254	L	98.5	Very high	97.6	Very high	49 Å²	49	59.5 Å²	59.5	26%	0.257	30%	0.3	S	S	.	.	H	α-helix	trans	-59.8	-48.2	179.1	-177.7	62.2	0	0	0	112.4	F250 H251 Y257 E258	F250-L254 PolarHBondContact O-N 3.26Å; F250-L254 VanDerWaalsContact O-N 3.11Å; H251-L254 PolarHBondContact O-N 2.55Å; L254-Y257 WeakPolarHBondContact O-CB 3.31Å; L254-Y257 PolarHBondContact O-N 2.86Å; L254-E258 HydrophobicContact CD1-CG 4.39Å; L254-E258 WeakPolarHBondContact O-CG 3.48Å; L254-E258 PolarHBondContact O-N 2.84Å
255	Q	98.4	Very high	97.6	Very high	43 Å²	43	61.3 Å²	61.3	20%	0.201	31%	0.305	C	S	.	.	H	α-helix	trans	-68.1	-36.1	-179.8	-72	-62.7	-67	0	0	113.1	M205 I227 H251 G253 E258 K259	M205-Q255 HydrophobicContact CE-CB 4.31Å; M205-Q255 HydrophobicContact CE-CG 4.18Å; M205-Q255 HydrophobicContact CG-CB 4.05Å; M205-Q255 HydrophobicContact SD-CB 3.36Å; M205-Q255 WeakPolarHBondContact SD-CB 3.47Å; M205-Q255 HydrophobicContact SD-CG 3.67Å; I227-Q255 HydrophobicContact CD1-CB 4.31Å; H251-Q255 VanDerWaalsContact CE1-CG 3.45Å; H251-Q255 WeakPolarHBondContact CE1-CG 3.44Å; H251-Q255 PolarHBondContact CE1-NE2 2.95Å; H251-Q255 WeakPolarHBondContact NE2-CG 3.33Å; H251-Q255 WeakPolarHBondContact O-CB 3.26Å; H251-Q255 VanDerWaalsContact O-CG 3.29Å; H251-Q255 WeakPolarHBondContact O-CG 3.44Å; H251-Q255 PolarHBondContact O-N 3.21Å; G253-Q255 PolarHBondContact O-N 2.74Å; Q255-E258 PolarHBondContact NE2-OE2 3.3Å; Q255-K259 WeakPolarHBondContact O-CB 3.13Å; Q255-K259 WeakPolarHBondContact O-CG 3.38Å; Q255-K259 PolarHBondContact O-N 2.79Å; Q255-K259 VanDerWaalsContact O-N 3.14Å
256	I	98.8	Very high	97.7	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.6	-44	173.6	-74.6	-68.1	0	0	0	110.4	L200 P203 M205 I227 V230 V239 H252 G253 K259 C260	L200-I256 HydrophobicContact CD1-CG2 3.6Å; P203-I256 HydrophobicContact CB-CG1 4.32Å; P203-I256 HydrophobicContact CB-CG2 4.25Å; P203-I256 HydrophobicContact CG-CB 4.21Å; P203-I256 HydrophobicContact CG-CG1 4.39Å; P203-I256 HydrophobicContact CG-CG2 3.99Å; M205-I256 HydrophobicContact CG-CG1 4.25Å; I227-I256 HydrophobicContact CD1-CD1 4.01Å; V230-I256 HydrophobicContact CB-CD1 4.22Å; V230-I256 HydrophobicContact CG1-CD1 4.12Å; V230-I256 HydrophobicContact CG2-CG2 4.13Å; V239-I256 HydrophobicContact CG2-CG2 4.36Å; H252-I256 WeakPolarHBondContact O-CB 3.45Å; H252-I256 VanDerWaalsContact O-CG1 3.25Å; H252-I256 WeakPolarHBondContact O-CG1 3.35Å; H252-I256 PolarHBondContact O-N 2.78Å; G253-I256 PolarHBondContact O-N 3.22Å; I256-K259 PolarHBondContact O-N 3.26Å; I256-C260 WeakPolarHBondContact O-CB 3.5Å; I256-C260 PolarHBondContact O-N 2.83Å; I256-C260 VanDerWaalsContact O-N 3.12Å
257	Y	98.8	Very high	97.9	Very high	63 Å²	63	53.3 Å²	53.3	25%	0.247	27%	0.269	C	S	.	.	H	α-helix	trans	-58.2	-53.9	174.8	169	-100.5	0	0	0	111.6	V239 G253 L254 K259 C260 A263 V264 P266 W268	V239-Y257 HydrophobicContact CG2-CD2 4.35Å; G253-Y257 VanDerWaalsContact O-CB 3.32Å; G253-Y257 WeakPolarHBondContact O-CB 3.46Å; G253-Y257 PolarHBondContact O-N 3.01Å; L254-Y257 WeakPolarHBondContact O-CB 3.31Å; L254-Y257 PolarHBondContact O-N 2.86Å; Y257-K259 VanDerWaalsContact C-N 3.26Å; Y257-K259 PolarHBondContact O-N 2.98Å; Y257-C260 PolarHBondContact O-N 2.79Å; Y257-C260 VanDerWaalsContact O-N 3.08Å; Y257-A263 HydrophobicContact CD2-CB 3.54Å; Y257-A263 HydrophobicContact CE2-CB 3.5Å; Y257-A263 VanDerWaalsContact CE2-CB 3.5Å; Y257-A263 HydrophobicContact CG-CB 4.44Å; Y257-V264 WeakPolarHBondContact CE2-O 3.32Å; Y257-P266 HydrophobicContact CD2-CB 3.96Å; Y257-P266 HydrophobicContact CD2-CG 4.09Å; Y257-P266 HydrophobicContact CE1-CG 4.45Å; Y257-P266 HydrophobicContact CE2-CB 4.07Å; Y257-P266 HydrophobicContact CE2-CG 3.8Å; Y257-W268 HydrophobicContact CD1-CZ2 4.21Å; Y257-W268 HydrophobicContact CD2-CZ2 4.47Å; Y257-W268 HydrophobicContact CG-CH2 4.27Å; Y257-W268 AromaticContact CG-CZ2 4Å; Y257-W268 HydrophobicContact CG-CZ2 4Å
258	E	98.5	Very high	98.2	Very high	118 Å²	118	52.7 Å²	52.7	55%	0.551	26%	0.259	S	S	*	.	H	α-helix	trans	-60.6	-31.8	-178.6	-73.7	177.1	168.6	0	0	113.5	L254 Q255	L254-E258 HydrophobicContact CD1-CG 4.39Å; L254-E258 WeakPolarHBondContact O-CG 3.48Å; L254-E258 PolarHBondContact O-N 2.84Å; Q255-E258 PolarHBondContact NE2-OE2 3.3Å
259	K	98.4	Very high	98.3	Very high	101 Å²	101	52.6 Å²	52.6	44%	0.439	26%	0.259	S	S	.	.	H	α-helix	trans	-89.5	-6.7	178.5	-68.4	-152.4	-169	-173.1	0	114.3	I227 V230 G231 Q255 I256 Y257 P261	I227-K259 HydrophobicContact CD1-CB 4.25Å; I227-K259 HydrophobicContact CD1-CD 3.53Å; I227-K259 HydrophobicContact CD1-CG 4Å; I227-K259 HydrophobicContact CG1-CD 3.93Å; V230-K259 HydrophobicContact CG1-CB 3.68Å; G231-K259 WeakPolarHBondContact CA-O 3.41Å; Q255-K259 WeakPolarHBondContact O-CB 3.13Å; Q255-K259 WeakPolarHBondContact O-CG 3.38Å; Q255-K259 PolarHBondContact O-N 2.79Å; Q255-K259 VanDerWaalsContact O-N 3.14Å; I256-K259 PolarHBondContact O-N 3.26Å; Y257-K259 VanDerWaalsContact C-N 3.26Å; Y257-K259 PolarHBondContact O-N 2.98Å; K259-P261 WeakPolarHBondContact O-CD 3.19Å
260	C	98.3	Very high	98.4	Very high	9 Å²	9	56 Å²	56	6%	0.061	27%	0.272	C	S	.	.			trans	-85.6	117.1	-179	-173.3	0	0	0	0	110.6	V230 T237 I256 Y257 K262 A263	V230-C260 HydrophobicContact CG2-CB 3.76Å; T237-C260 WeakPolarHBondContact CB-SG 3.49Å; T237-C260 PolarHBondContact OG1-SG 3.29Å; I256-C260 WeakPolarHBondContact O-CB 3.5Å; I256-C260 PolarHBondContact O-N 2.83Å; I256-C260 VanDerWaalsContact O-N 3.12Å; Y257-C260 PolarHBondContact O-N 2.79Å; Y257-C260 VanDerWaalsContact O-N 3.08Å; C260-K262 PolarHBondContact O-N 2.93Å; C260-K262 VanDerWaalsContact O-N 3.12Å; C260-A263 HydrophobicContact CB-CB 4.11Å; C260-A263 PolarHBondContact O-N 3.24Å
261	P	98	Very high	98.4	Very high	86 Å²	86	56.1 Å²	56.1	56%	0.558	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-25	-171.5	-23.7	33.2	0	0	0	115.2	G231 K259	G231-P261 VanDerWaalsContact O-CG 3.27Å; G231-P261 WeakPolarHBondContact O-CG 3.34Å; K259-P261 WeakPolarHBondContact O-CD 3.19Å
262	K	97.4	Very high	98.4	Very high	114 Å²	114	52.4 Å²	52.4	50%	0.496	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124	37.3	179.8	-61.6	-156.9	-169.7	166.3	0	111.6	S234 P236 T237 C260 V264	S234-K262 WeakPolarHBondContact O-CD 3.32Å; S234-K262 WeakPolarHBondContact O-CE 3.47Å; S234-K262 PolarHBondContact O-NZ 3.33Å; P236-K262 WeakPolarHBondContact CA-O 3.49Å; T237-K262 PolarHBondContact N-O 3.17Å; C260-K262 PolarHBondContact O-N 2.93Å; C260-K262 VanDerWaalsContact O-N 3.12Å; K262-V264 PolarHBondContact O-N 2.77Å
263	A	98.4	Very high	98.3	Very high	31 Å²	31	52.8 Å²	52.8	26%	0.256	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-58.7	130.1	169.5	0	0	0	0	0	109.9	T237 Y257 C260	T237-A263 WeakPolarHBondContact O-CA 3.42Å; Y257-A263 HydrophobicContact CD2-CB 3.54Å; Y257-A263 HydrophobicContact CE2-CB 3.5Å; Y257-A263 VanDerWaalsContact CE2-CB 3.5Å; Y257-A263 HydrophobicContact CG-CB 4.44Å; C260-A263 HydrophobicContact CB-CB 4.11Å; C260-A263 PolarHBondContact O-N 3.24Å
264	V	98.4	Very high	98.1	Very high	29 Å²	29	53.7 Å²	53.7	18%	0.176	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-93.9	172.6	167.1	-62.1	0	0	0	0	109.4	P236 T237 L238 Y257 K262 P266 R286 F290 E294	P236-V264 HydrophobicContact CB-CG1 4.22Å; T237-V264 WeakPolarHBondContact O-CG2 3.47Å; T237-V264 PolarHBondContact O-N 2.75Å; L238-V264 HydrophobicContact CB-CG2 3.92Å; L238-V264 HydrophobicContact CD1-CG2 4.31Å; Y257-V264 WeakPolarHBondContact CE2-O 3.32Å; K262-V264 PolarHBondContact O-N 2.77Å; V264-P266 VanDerWaalsContact O-N 3.08Å; V264-R286 VanDerWaalsContact CG2-NH2 3.29Å; V264-F290 HydrophobicContact CB-CE2 4.42Å; V264-F290 HydrophobicContact CG1-CE2 4Å; V264-F290 HydrophobicContact CG2-CD2 3.85Å; V264-F290 HydrophobicContact CG2-CE2 3.63Å; V264-F290 HydrophobicContact CG2-CZ 4.27Å; V264-E294 WeakPolarHBondContact CB-OE2 3.19Å
265	E	98.3	Very high	98	Very high	133 Å²	133	56.5 Å²	56.5	62%	0.621	30%	0.295	S	S	*	.	S	Bend	trans	-47.4	119.7	178.6	-173.3	62.6	-158.1	0	0	110.4	L238 R286	L238-E265 VanDerWaalsContact CD1-O 3.28Å; L238-E265 WeakPolarHBondContact CD1-O 3.41Å; E265-R286 PolarHBondContact O-NE 3.26Å; E265-R286 PolarHBondContact O-NH2 2.98Å
266	P	98.8	Very high	97.8	Very high	13 Å²	13	57.4 Å²	57.4	8%	0.084	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-75.5	171.8	-174.5	31.8	-34.5	0	0	0	111.2	V239 Y257 V264 W268	V239-P266 CarbonylContact O-C 3.59Å; V239-P266 WeakPolarHBondContact O-CA 3.33Å; V239-P266 WeakPolarHBondContact O-CB 3.19Å; Y257-P266 HydrophobicContact CD2-CB 3.96Å; Y257-P266 HydrophobicContact CD2-CG 4.09Å; Y257-P266 HydrophobicContact CE1-CG 4.45Å; Y257-P266 HydrophobicContact CE2-CB 4.07Å; Y257-P266 HydrophobicContact CE2-CG 3.8Å; V264-P266 VanDerWaalsContact O-N 3.08Å; P266-W268 HydrophobicContact CB-CD2 3.96Å; P266-W268 VanDerWaalsContact CB-CE2 3.45Å; P266-W268 HydrophobicContact CB-CE3 4.18Å; P266-W268 HydrophobicContact CB-CH2 3.55Å; P266-W268 HydrophobicContact CB-CZ2 3.25Å; P266-W268 HydrophobicContact CB-CZ3 3.99Å; P266-W268 HydrophobicContact CG-CD2 4.15Å; P266-W268 HydrophobicContact CG-CH2 4.21Å; P266-W268 HydrophobicContact CG-CZ2 3.38Å; P266-W268 VanDerWaalsContact CG-NE1 3.35Å
267	L	98.8	Very high	97.8	Very high	19 Å²	19	57.4 Å²	57.4	10%	0.099	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	104.1	165.4	173.1	64.7	0	0	0	110.1	V239 I240 H241 V269 A282 R286	V239-L267 PolarHBondContact O-N 3.27Å; I240-L267 VanDerWaalsContact CA-O 3.31Å; I240-L267 WeakPolarHBondContact CA-O 3.44Å; I240-L267 HydrophobicContact CG1-CB 4.27Å; I240-L267 HydrophobicContact CG2-CB 4.16Å; I240-L267 HydrophobicContact CG2-CD2 3.87Å; I240-L267 HydrophobicContact CG2-CG 4.1Å; H241-L267 PolarHBondContact N-O 2.86Å; L267-V269 HydrophobicContact CD1-CG2 4.05Å; L267-V269 HydrophobicContact CD2-CG2 3.94Å; L267-V269 HydrophobicContact CG-CG2 3.72Å; L267-A282 HydrophobicContact CD1-CB 3.93Å; L267-R286 HydrophobicContact CB-CB 4.26Å; L267-R286 HydrophobicContact CB-CG 3.88Å; L267-R286 HydrophobicContact CD2-CB 3.89Å; L267-R286 HydrophobicContact CD2-CG 4.37Å; L267-R286 HydrophobicContact CG-CB 4.46Å
268	W	98.7	Very high	97.6	Very high	59 Å²	59	57.4 Å²	57.4	22%	0.223	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	109.2	169.2	-48.2	139.3	0	0	0	108.8	V239 H241 T243 F250 Y257 P266 H270	V239-W268 HydrophobicContact CB-CH2 3.92Å; V239-W268 HydrophobicContact CB-CZ3 4.17Å; V239-W268 HydrophobicContact CG1-CH2 3.71Å; V239-W268 HydrophobicContact CG1-CZ3 3.73Å; H241-W268 HydrophobicContact CB-CE3 3.8Å; H241-W268 HydrophobicContact CB-CZ3 3.71Å; H241-W268 WeakPolarHBondContact O-CA 3.19Å; T243-W268 HydrophobicContact CG2-CB 4.31Å; F250-W268 HydrophobicContact CE2-CB 4.08Å; F250-W268 AromaticContact CE2-CD2 3.59Å; F250-W268 HydrophobicContact CE2-CD2 3.59Å; F250-W268 AromaticContact CE2-CE3 3.58Å; F250-W268 HydrophobicContact CE2-CE3 3.58Å; F250-W268 AromaticContact CE2-CG 3.83Å; F250-W268 HydrophobicContact CE2-CG 3.83Å; F250-W268 HydrophobicContact CE2-CZ3 4.22Å; F250-W268 HydrophobicContact CZ-CB 4.33Å; F250-W268 AromaticContact CZ-CD2 3.85Å; F250-W268 HydrophobicContact CZ-CD2 3.85Å; F250-W268 HydrophobicContact CZ-CE3 4.27Å; F250-W268 AromaticContact CZ-CG 3.87Å; F250-W268 HydrophobicContact CZ-CG 3.87Å; Y257-W268 HydrophobicContact CD1-CZ2 4.21Å; Y257-W268 HydrophobicContact CD2-CZ2 4.47Å; Y257-W268 HydrophobicContact CG-CH2 4.27Å; Y257-W268 AromaticContact CG-CZ2 4Å; Y257-W268 HydrophobicContact CG-CZ2 4Å; P266-W268 HydrophobicContact CB-CD2 3.96Å; P266-W268 VanDerWaalsContact CB-CE2 3.45Å; P266-W268 HydrophobicContact CB-CE3 4.18Å; P266-W268 HydrophobicContact CB-CH2 3.55Å; P266-W268 HydrophobicContact CB-CZ2 3.25Å; P266-W268 HydrophobicContact CB-CZ3 3.99Å; P266-W268 HydrophobicContact CG-CD2 4.15Å; P266-W268 HydrophobicContact CG-CH2 4.21Å; P266-W268 HydrophobicContact CG-CZ2 3.38Å; P266-W268 VanDerWaalsContact CG-NE1 3.35Å; W268-H270 PolarHBondContact O-N 2.91Å
269	V	98.5	Very high	97.5	Very high	11 Å²	11	56.9 Å²	56.9	7%	0.067	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	98.8	-179.5	-173.7	0	0	0	0	108.8	H241 T243 L267 G271 A272 V277	H241-V269 PolarHBondContact O-N 3.08Å; T243-V269 PolarHBondContact N-O 3.16Å; T243-V269 VanDerWaalsContact N-O 3.08Å; L267-V269 HydrophobicContact CD1-CG2 4.05Å; L267-V269 HydrophobicContact CD2-CG2 3.94Å; L267-V269 HydrophobicContact CG-CG2 3.72Å; V269-G271 PolarHBondContact O-N 2.89Å; V269-A272 HydrophobicContact CB-CB 3.83Å; V269-A272 HydrophobicContact CG1-CB 3.48Å; V269-A272 VanDerWaalsContact CG1-CB 3.48Å; V269-A272 PolarHBondContact O-N 2.82Å; V269-V277 HydrophobicContact CG2-CG1 3.84Å
270	H	98	Very high	97.4	Very high	160 Å²	160	53.5 Å²	53.5	74%	0.741	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	126.2	179.5	-70.8	-67.7	0	0	0	111.9	T243 W268 A272	T243-H270 WeakPolarHBondContact OG1-CA 3.49Å; W268-H270 PolarHBondContact O-N 2.91Å; H270-A272 VanDerWaalsContact C-N 3.26Å; H270-A272 PolarHBondContact O-N 3.22Å
271	G	97.9	Very high	97.2	Very high	50 Å²	50	57.9 Å²	57.9	52%	0.515	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	-1	178.8	0	0	0	0	0	115.3	T243 V269	T243-G271 PolarHBondContact OG1-N 3.09Å; V269-G271 PolarHBondContact O-N 2.89Å
272	A	98.1	Very high	97.2	Very high	6 Å²	6	55.6 Å²	55.6	5%	0.05	32%	0.315	C	S	.	.			trans	-85.5	143.8	171.9	0	0	0	0	0	110.8	G242 T243 D244 V269 H270 V277	G242-A272 CarbonylContact C-O 3.58Å; G242-A272 VanDerWaalsContact C-O 3.23Å; G242-A272 WeakPolarHBondContact CA-O 3.46Å; T243-A272 PolarHBondContact N-O 3.01Å; D244-A272 CarbonylContact C-O 3.56Å; D244-A272 WeakPolarHBondContact CA-O 3.2Å; D244-A272 PolarHBondContact N-O 3.12Å; V269-A272 HydrophobicContact CB-CB 3.83Å; V269-A272 HydrophobicContact CG1-CB 3.48Å; V269-A272 VanDerWaalsContact CG1-CB 3.48Å; V269-A272 PolarHBondContact O-N 2.82Å; H270-A272 VanDerWaalsContact C-N 3.26Å; H270-A272 PolarHBondContact O-N 3.22Å; A272-V277 HydrophobicContact CB-CG2 4.12Å
273	G	96	Very high	97.2	Very high	14 Å²	14	50.3 Å²	50.3	14%	0.144	29%	0.291	C	S	.	.			trans	-90.6	-148.9	169.3	0	0	0	0	0	113	D276 V277	G273-D276 VanDerWaalsContact C-OD1 3.29Å; G273-D276 WeakPolarHBondContact CA-OD1 3.49Å; G273-D276 PolarHBondContact N-OD1 2.92Å; G273-D276 PolarHBondContact N-OD2 3.11Å; G273-V277 WeakPolarHBondContact O-CG2 3.44Å
274	H	96.3	Very high	97.2	Very high	20 Å²	20	50.2 Å²	50.2	9%	0.093	29%	0.287	C	S	.	.	S	Bend	trans	-77.9	-31.1	-173.9	-162.4	64.8	0	0	0	115	S180 D245 V247	S180-H274 VanDerWaalsContact CB-NE2 3.32Å; S180-H274 WeakPolarHBondContact CB-NE2 3.29Å; S180-H274 PolarHBondContact OG-CE1 2.85Å; S180-H274 PolarHBondContact OG-NE2 3.21Å; D245-H274 VanDerWaalsContact CG-ND1 3.29Å; D245-H274 VanDerWaalsContact OD1-CB 3.25Å; D245-H274 WeakPolarHBondContact OD1-CB 3.16Å; D245-H274 IonicContact OD1-CG 3.38Å; D245-H274 IonicContact OD1-ND1 3.33Å; D245-H274 PolarHBondContact OD1-ND1 3.49Å; D245-H274 VanDerWaalsContact OD1-ND1 3.08Å; D245-H274 IonicContact OD2-CE1 3.61Å; D245-H274 IonicContact OD2-CG 2.73Å; D245-H274 IonicContact OD2-ND1 3.06Å; D245-H274 PolarHBondContact OD2-ND1 2.81Å; V247-H274 HydrophobicContact CB-CB 3.84Å; V247-H274 HydrophobicContact CG2-CB 3.68Å
275	N	94.6	Very high	97.2	Very high	107 Å²	107	53.4 Å²	53.4	57%	0.572	30%	0.303	S	S	*	.	S	Bend	trans	-122.6	14.9	-164.5	-60.9	-55.3	0	0	0	113.1
276	D	96.1	Very high	97.2	Very high	62 Å²	62	47.8 Å²	47.8	33%	0.332	28%	0.276	S	S	.	.			trans	-133.5	3.9	-176.2	61.9	-10.7	0	0	0	113	G273 E278 T279	G273-D276 VanDerWaalsContact C-OD1 3.29Å; G273-D276 WeakPolarHBondContact CA-OD1 3.49Å; G273-D276 PolarHBondContact N-OD1 2.92Å; G273-D276 PolarHBondContact N-OD2 3.11Å; D276-E278 VanDerWaalsContact C-N 3.29Å; D276-E278 PolarHBondContact O-N 3.14Å; D276-T279 HydrophobicContact CB-CG2 4.24Å; D276-T279 VanDerWaalsContact O-CB 3.32Å; D276-T279 WeakPolarHBondContact O-CB 3.4Å; D276-T279 WeakPolarHBondContact O-CG2 3.1Å; D276-T279 PolarHBondContact O-N 2.81Å; D276-T279 PolarHBondContact O-OG1 3.16Å
277	V	97.4	Very high	97.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-55.2	-44.6	175.8	170	0	0	0	0	111.2	H201 I240 V269 A272 G273 T279 S280 Y283	H201-V277 VanDerWaalsContact NE2-CB 3.26Å; H201-V277 WeakPolarHBondContact NE2-CB 3.15Å; H201-V277 VanDerWaalsContact NE2-CG1 3.32Å; H201-V277 WeakPolarHBondContact NE2-CG1 3.16Å; I240-V277 HydrophobicContact CG2-CG1 3.52Å; V269-V277 HydrophobicContact CG2-CG1 3.84Å; A272-V277 HydrophobicContact CB-CG2 4.12Å; G273-V277 WeakPolarHBondContact O-CG2 3.44Å; V277-T279 PolarHBondContact O-N 2.95Å; V277-T279 VanDerWaalsContact O-N 3.17Å; V277-S280 WeakPolarHBondContact O-CB 3.43Å; V277-S280 PolarHBondContact O-N 2.81Å; V277-S280 VanDerWaalsContact O-N 3.12Å; V277-Y283 HydrophobicContact CG1-CD2 4.14Å
278	E	95.4	Very high	97.1	Very high	64 Å²	64	50.5 Å²	50.5	30%	0.299	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-67.4	-12.2	179.7	65.3	-91.6	-152.8	0	0	114.2	F120 H201 D276 S280 Y283	F120-E278 HydrophobicContact CE2-CB 4.39Å; F120-E278 HydrophobicContact CE2-CG 4.38Å; H201-E278 IonicContact CE1-OE2 2.63Å; D276-E278 VanDerWaalsContact C-N 3.29Å; D276-E278 PolarHBondContact O-N 3.14Å; E278-S280 VanDerWaalsContact C-N 3.31Å; E278-Y283 HydrophobicContact CB-CD1 3.96Å; E278-Y283 HydrophobicContact CB-CE1 3.94Å; E278-Y283 HydrophobicContact CB-CG 4.31Å
279	T	95.5	Very high	97.1	Very high	107 Å²	107	51.9 Å²	51.9	66%	0.656	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-78.6	-19.8	175.3	75.7	0	0	0	0	112	D276 V277	D276-T279 HydrophobicContact CB-CG2 4.24Å; D276-T279 VanDerWaalsContact O-CB 3.32Å; D276-T279 WeakPolarHBondContact O-CB 3.4Å; D276-T279 WeakPolarHBondContact O-CG2 3.1Å; D276-T279 PolarHBondContact O-N 2.81Å; D276-T279 PolarHBondContact O-OG1 3.16Å; V277-T279 PolarHBondContact O-N 2.95Å; V277-T279 VanDerWaalsContact O-N 3.17Å
280	S	96.3	Very high	97.1	Very high	29 Å²	29	51.4 Å²	51.4	20%	0.203	29%	0.289	C	S	.	.	S	Bend	trans	-71.1	131.5	176.1	179.4	0	0	0	0	110.9	V277 E278 A282 Y283	V277-S280 WeakPolarHBondContact O-CB 3.43Å; V277-S280 PolarHBondContact O-N 2.81Å; V277-S280 VanDerWaalsContact O-N 3.12Å; E278-S280 VanDerWaalsContact C-N 3.31Å; S280-A282 PolarHBondContact O-N 2.89Å; S280-A282 VanDerWaalsContact O-N 3.15Å; S280-A282 PolarHBondContact OG-N 2.91Å; S280-Y283 VanDerWaalsContact O-CB 3.24Å; S280-Y283 WeakPolarHBondContact O-CB 3.34Å; S280-Y283 PolarHBondContact O-N 3.45Å
281	P	94.2	Very high	97.1	Very high	101 Å²	101	43.9 Å²	43.9	66%	0.656	25%	0.254	S	S	*	.	H	α-helix	trans	-54.1	-34.1	173.1	-26.5	35.1	0	0	0	113.2	Y283 L284 D285	P281-Y283 PolarHBondContact O-N 2.8Å; P281-Y283 VanDerWaalsContact O-N 3.14Å; P281-L284 PolarHBondContact O-N 2.91Å; P281-D285 PolarHBondContact O-N 2.85Å
282	A	97.9	Very high	96.9	Very high	39 Å²	39	45.4 Å²	45.4	32%	0.322	25%	0.25	S	S	.	.	H	α-helix	trans	-60.8	-24.5	179.6	0	0	0	0	0	113.2	L267 S280 R286	L267-A282 HydrophobicContact CD1-CB 3.93Å; S280-A282 PolarHBondContact O-N 2.89Å; S280-A282 VanDerWaalsContact O-N 3.15Å; S280-A282 PolarHBondContact OG-N 2.91Å; A282-R286 VanDerWaalsContact O-CB 3.29Å; A282-R286 WeakPolarHBondContact O-CB 3.25Å; A282-R286 PolarHBondContact O-N 3.32Å
283	Y	98.5	Very high	96.7	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-60	-52.1	177.3	176.9	-103.9	0	0	0	111.9	L124 Y177 I240 V277 E278 S280 P281 L287	L124-Y283 HydrophobicContact CD1-CE1 4.04Å; Y177-Y283 PolarHBondContact OH-OH 3.38Å; I240-Y283 HydrophobicContact CD1-CD2 4.13Å; I240-Y283 HydrophobicContact CD1-CE2 3.87Å; I240-Y283 HydrophobicContact CG2-CD2 4.32Å; V277-Y283 HydrophobicContact CG1-CD2 4.14Å; E278-Y283 HydrophobicContact CB-CD1 3.96Å; E278-Y283 HydrophobicContact CB-CE1 3.94Å; E278-Y283 HydrophobicContact CB-CG 4.31Å; S280-Y283 VanDerWaalsContact O-CB 3.24Å; S280-Y283 WeakPolarHBondContact O-CB 3.34Å; S280-Y283 PolarHBondContact O-N 3.45Å; P281-Y283 PolarHBondContact O-N 2.8Å; P281-Y283 VanDerWaalsContact O-N 3.14Å; Y283-L287 HydrophobicContact CD1-CD1 4.04Å; Y283-L287 HydrophobicContact CD2-CD1 4.4Å; Y283-L287 HydrophobicContact CE1-CD1 3.54Å; Y283-L287 HydrophobicContact CE2-CD1 3.95Å; Y283-L287 HydrophobicContact CG-CD1 4.44Å; Y283-L287 VanDerWaalsContact CZ-CD1 3.49Å; Y283-L287 WeakPolarHBondContact O-CB 2.94Å; Y283-L287 VanDerWaalsContact O-CG 3.26Å; Y283-L287 WeakPolarHBondContact O-CG 3.47Å; Y283-L287 PolarHBondContact O-N 3.49Å
284	L	98	Very high	96.8	Very high	30 Å²	30	52.7 Å²	52.7	16%	0.157	28%	0.28	C	S	.	.	H	α-helix	trans	-70.6	-38.2	-179.9	-70.9	175.2	0	0	0	111.9	L124 R127 I128 P281 L287 R288	L124-L284 HydrophobicContact CD1-CD2 4.1Å; R127-L284 HydrophobicContact CB-CD2 4.15Å; I128-L284 HydrophobicContact CG2-CD2 4.24Å; P281-L284 PolarHBondContact O-N 2.91Å; L284-L287 PolarHBondContact O-N 3.49Å; L284-R288 WeakPolarHBondContact O-CG 3.46Å; L284-R288 PolarHBondContact O-N 3.38Å
285	D	98.1	Very high	96.8	Very high	96 Å²	96	53 Å²	53	51%	0.513	28%	0.282	S	S	.	.	H	α-helix	trans	-65.1	-45.8	-179.3	-67.4	-19.5	0	0	0	111.2	P281 L287 R288 Q289	P281-D285 PolarHBondContact O-N 2.85Å; D285-L287 PolarHBondContact O-N 3.48Å; D285-R288 PolarHBondContact O-N 2.87Å; D285-R288 IonicContact OD1-NH1 3.61Å; D285-Q289 WeakPolarHBondContact O-CB 3.13Å; D285-Q289 PolarHBondContact O-N 2.97Å
286	R	98.6	Very high	96.3	Very high	14 Å²	14	51.3 Å²	51.3	5%	0.053	27%	0.273	C	S	.	.	H	α-helix	trans	-61.9	-44.1	175.6	-178.9	73.7	-167.3	89.8	-7.5	111.9	L238 V264 E265 L267 A282 R288 Q289 F290 E294	L238-R286 HydrophobicContact CD1-CG 3.96Å; L238-R286 HydrophobicContact CD2-CG 3.9Å; V264-R286 VanDerWaalsContact CG2-NH2 3.29Å; E265-R286 PolarHBondContact O-NE 3.26Å; E265-R286 PolarHBondContact O-NH2 2.98Å; L267-R286 HydrophobicContact CB-CB 4.26Å; L267-R286 HydrophobicContact CB-CG 3.88Å; L267-R286 HydrophobicContact CD2-CB 3.89Å; L267-R286 HydrophobicContact CD2-CG 4.37Å; L267-R286 HydrophobicContact CG-CB 4.46Å; A282-R286 VanDerWaalsContact O-CB 3.29Å; A282-R286 WeakPolarHBondContact O-CB 3.25Å; A282-R286 PolarHBondContact O-N 3.32Å; R286-R288 VanDerWaalsContact C-N 3.32Å; R286-R288 PolarHBondContact O-N 3.23Å; R286-Q289 PolarHBondContact O-N 3.15Å; R286-F290 WeakPolarHBondContact O-CB 3.48Å; R286-F290 PolarHBondContact O-N 2.67Å; R286-E294 IonicContact CZ-OE1 3.45Å; R286-E294 VanDerWaalsContact CZ-OE1 3.26Å; R286-E294 IonicContact CZ-OE2 2.74Å; R286-E294 IonicContact NH1-OE1 3.68Å; R286-E294 PolarHBondContact NH1-OE1 3.15Å; R286-E294 IonicContact NH1-OE2 3.75Å; R286-E294 IonicContact NH2-OE1 2.69Å; R286-E294 PolarHBondContact NH2-OE1 3.29Å; R286-E294 IonicContact NH2-OE2 3.63Å; R286-E294 PolarHBondContact NH2-OE2 3.02Å; R286-E294 VanDerWaalsContact NH2-OE2 3.13Å
287	L	98.5	Very high	95.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.3	-41.7	179.8	-76.3	175.9	0	0	0	111.8	L124 I128 Y177 I199 L238 I240 Y283 L284 D285 F290 I291	L124-L287 HydrophobicContact CD1-CD1 3.93Å; I128-L287 HydrophobicContact CG2-CB 4.05Å; I128-L287 HydrophobicContact CG2-CD1 4.45Å; Y177-L287 HydrophobicContact CE2-CD2 4.45Å; I199-L287 HydrophobicContact CD1-CD2 3.68Å; I199-L287 HydrophobicContact CG1-CD2 4.47Å; I199-L287 HydrophobicContact CG2-CD2 4.27Å; L238-L287 HydrophobicContact CD2-CD2 4.05Å; I240-L287 HydrophobicContact CD1-CD2 4.06Å; I240-L287 HydrophobicContact CD1-CG 4.48Å; Y283-L287 HydrophobicContact CD1-CD1 4.04Å; Y283-L287 HydrophobicContact CD2-CD1 4.4Å; Y283-L287 HydrophobicContact CE1-CD1 3.54Å; Y283-L287 HydrophobicContact CE2-CD1 3.95Å; Y283-L287 HydrophobicContact CG-CD1 4.44Å; Y283-L287 VanDerWaalsContact CZ-CD1 3.49Å; Y283-L287 WeakPolarHBondContact O-CB 2.94Å; Y283-L287 VanDerWaalsContact O-CG 3.26Å; Y283-L287 WeakPolarHBondContact O-CG 3.47Å; Y283-L287 PolarHBondContact O-N 3.49Å; L284-L287 PolarHBondContact O-N 3.49Å; D285-L287 PolarHBondContact O-N 3.48Å; L287-F290 PolarHBondContact O-N 2.65Å; L287-I291 WeakPolarHBondContact O-CB 3.37Å; L287-I291 VanDerWaalsContact O-CG1 3.24Å; L287-I291 WeakPolarHBondContact O-CG1 3.43Å; L287-I291 PolarHBondContact O-N 2.71Å
288	R	97.2	Very high	93.7	Very high	90 Å²	90	55.7 Å²	55.7	34%	0.34	32%	0.318	S	S	.	.	H	α-helix	trans	-64	-48	174.7	-74.1	173.9	-178.9	145.1	-2.5	111.6	R127 I128 L284 D285 R286 F290 I291 D292	R127-R288 VanDerWaalsContact O-CZ 3.32Å; R127-R288 PolarHBondContact O-NE 2.64Å; R127-R288 PolarHBondContact O-NH2 3.37Å; I128-R288 HydrophobicContact CG2-CG 4.35Å; L284-R288 WeakPolarHBondContact O-CG 3.46Å; L284-R288 PolarHBondContact O-N 3.38Å; D285-R288 PolarHBondContact O-N 2.87Å; D285-R288 IonicContact OD1-NH1 3.61Å; R286-R288 VanDerWaalsContact C-N 3.32Å; R286-R288 PolarHBondContact O-N 3.23Å; R288-F290 PolarHBondContact O-N 3.42Å; R288-I291 PolarHBondContact O-N 2.84Å; R288-D292 WeakPolarHBondContact O-CA 3.36Å; R288-D292 VanDerWaalsContact O-CB 3.26Å; R288-D292 WeakPolarHBondContact O-CB 3.42Å; R288-D292 PolarHBondContact O-N 3.37Å
289	Q	97.9	Very high	91	Very high	88 Å²	88	64.3 Å²	64.3	41%	0.411	37%	0.367	S	S	.	.	I	π-helix	trans	-55.3	-44.3	176.5	-172.6	-174.7	7.5	0	0	111.2	D285 R286 E293 E294	D285-Q289 WeakPolarHBondContact O-CB 3.13Å; D285-Q289 PolarHBondContact O-N 2.97Å; R286-Q289 PolarHBondContact O-N 3.15Å; Q289-E293 VanDerWaalsContact O-CB 3.28Å; Q289-E293 WeakPolarHBondContact O-CB 3.11Å; Q289-E293 PolarHBondContact O-N 3.08Å; Q289-E294 PolarHBondContact O-N 3.49Å
290	F	98.4	Very high	90.8	Very high	1 Å²	1	62.2 Å²	62.2	0%	0.004	35%	0.352	C	S	.	.	I	π-helix	trans	-62.6	-52.3	177.4	-174	-140.9	0	0	0	111.9	A197 I199 P236 L238 V264 R286 L287 R288 E294 L295	A197-F290 HydrophobicContact CB-CE1 3.82Å; A197-F290 HydrophobicContact CB-CZ 3.66Å; I199-F290 HydrophobicContact CD1-CD1 4.24Å; I199-F290 HydrophobicContact CD1-CE1 4.36Å; I199-F290 HydrophobicContact CG1-CD1 3.98Å; I199-F290 HydrophobicContact CG1-CE1 3.74Å; P236-F290 HydrophobicContact CB-CE2 3.94Å; P236-F290 HydrophobicContact CB-CZ 4.08Å; L238-F290 HydrophobicContact CB-CD1 3.76Å; L238-F290 HydrophobicContact CB-CE1 3.68Å; L238-F290 HydrophobicContact CB-CG 4.22Å; L238-F290 HydrophobicContact CB-CZ 4.08Å; L238-F290 HydrophobicContact CD2-CB 4.12Å; L238-F290 HydrophobicContact CD2-CD1 3.89Å; L238-F290 HydrophobicContact CD2-CG 4.18Å; L238-F290 HydrophobicContact CG-CD1 4.48Å; V264-F290 HydrophobicContact CB-CE2 4.42Å; V264-F290 HydrophobicContact CG1-CE2 4Å; V264-F290 HydrophobicContact CG2-CD2 3.85Å; V264-F290 HydrophobicContact CG2-CE2 3.63Å; V264-F290 HydrophobicContact CG2-CZ 4.27Å; R286-F290 WeakPolarHBondContact O-CB 3.48Å; R286-F290 PolarHBondContact O-N 2.67Å; L287-F290 PolarHBondContact O-N 2.65Å; R288-F290 PolarHBondContact O-N 3.42Å; F290-E294 HydrophobicContact CD2-CB 4.18Å; F290-E294 WeakPolarHBondContact CD2-OE2 3.49Å; F290-E294 WeakPolarHBondContact O-CB 3.41Å; F290-E294 PolarHBondContact O-N 3.08Å; F290-L295 HydrophobicContact CD2-CG 4.46Å; F290-L295 HydrophobicContact CE2-CD2 3.93Å; F290-L295 HydrophobicContact CE2-CG 4.32Å; F290-L295 HydrophobicContact CZ-CD2 4.19Å; F290-L295 WeakPolarHBondContact O-CG 3.26Å; F290-L295 PolarHBondContact O-N 3.07Å
291	I	97.6	Very high	90.5	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.01	36%	0.36	C	S	.	.	I	π-helix	trans	-77.8	-43.7	-169.7	-66.1	169.4	0	0	0	112.3	Y102 I128 I175 L287 R288 N296	Y102-I291 HydrophobicContact CD2-CG2 4.05Å; I128-I291 HydrophobicContact CB-CD1 4.24Å; I128-I291 HydrophobicContact CD1-CD1 3.83Å; I128-I291 HydrophobicContact CG1-CD1 4.2Å; I175-I291 HydrophobicContact CD1-CD1 4.26Å; I175-I291 HydrophobicContact CD1-CG1 3.94Å; I175-I291 HydrophobicContact CD1-CG2 4.37Å; L287-I291 WeakPolarHBondContact O-CB 3.37Å; L287-I291 VanDerWaalsContact O-CG1 3.24Å; L287-I291 WeakPolarHBondContact O-CG1 3.43Å; L287-I291 PolarHBondContact O-N 2.71Å; R288-I291 PolarHBondContact O-N 2.84Å; I291-N296 PolarHBondContact O-ND2 2.87Å
292	D	94.5	Very high	90.3	Very high	81 Å²	81	61.9 Å²	61.9	43%	0.433	34%	0.343	S	S	.	.	I	π-helix	trans	-89.4	-29.2	-171.7	-65	-30.2	0	0	0	112.5	R288 N296	R288-D292 WeakPolarHBondContact O-CA 3.36Å; R288-D292 VanDerWaalsContact O-CB 3.26Å; R288-D292 WeakPolarHBondContact O-CB 3.42Å; R288-D292 PolarHBondContact O-N 3.37Å; D292-N296 WeakPolarHBondContact CA-ND2 3.47Å; D292-N296 WeakPolarHBondContact O-CB 3.46Å; D292-N296 PolarHBondContact O-ND2 2.96Å
293	E	94.6	Very high	89.9	Confident	114 Å²	114	63.2 Å²	63.2	53%	0.533	35%	0.345	S	S	.	.	I	π-helix	trans	-107.5	-62	-176.9	-52.1	177.8	-169.5	0	0	111	Q289 L295 N296 S297	Q289-E293 VanDerWaalsContact O-CB 3.28Å; Q289-E293 WeakPolarHBondContact O-CB 3.11Å; Q289-E293 PolarHBondContact O-N 3.08Å; E293-L295 PolarHBondContact O-N 2.92Å; E293-N296 PolarHBondContact O-N 3.03Å; E293-S297 WeakPolarHBondContact O-CB 3.4Å; E293-S297 PolarHBondContact O-N 3.46Å; E293-S297 PolarHBondContact O-OG 2.97Å
294	E	96.9	Very high	89.3	Confident	59 Å²	59	67.1 Å²	67.1	28%	0.276	37%	0.366	S	S	.	.	I	π-helix	trans	-66	-45.1	-170.8	-65.4	167	-139.3	0	0	112.3	V264 R286 Q289 F290 N296	V264-E294 WeakPolarHBondContact CB-OE2 3.19Å; R286-E294 IonicContact CZ-OE1 3.45Å; R286-E294 VanDerWaalsContact CZ-OE1 3.26Å; R286-E294 IonicContact CZ-OE2 2.74Å; R286-E294 IonicContact NH1-OE1 3.68Å; R286-E294 PolarHBondContact NH1-OE1 3.15Å; R286-E294 IonicContact NH1-OE2 3.75Å; R286-E294 IonicContact NH2-OE1 2.69Å; R286-E294 PolarHBondContact NH2-OE1 3.29Å; R286-E294 IonicContact NH2-OE2 3.63Å; R286-E294 PolarHBondContact NH2-OE2 3.02Å; R286-E294 VanDerWaalsContact NH2-OE2 3.13Å; Q289-E294 PolarHBondContact O-N 3.49Å; F290-E294 HydrophobicContact CD2-CB 4.18Å; F290-E294 WeakPolarHBondContact CD2-OE2 3.49Å; F290-E294 WeakPolarHBondContact O-CB 3.41Å; F290-E294 PolarHBondContact O-N 3.08Å; E294-N296 VanDerWaalsContact C-N 3.27Å; E294-N296 PolarHBondContact O-N 3.35Å
295	L	96	Very high	88.8	Confident	27 Å²	27	69.5 Å²	69.5	14%	0.141	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-18.7	178.2	-63.4	-175.7	0	0	0	113.9	Y102 I175 A197 P236 F290 E293	Y102-L295 HydrophobicContact CE2-CB 4.29Å; Y102-L295 HydrophobicContact CE2-CD1 4.32Å; Y102-L295 PolarHBondContact OH-O 3.4Å; I175-L295 HydrophobicContact CD1-CD1 3.88Å; I175-L295 HydrophobicContact CG1-CD1 4.37Å; A197-L295 HydrophobicContact CB-CD1 3.59Å; A197-L295 HydrophobicContact CB-CD2 3.79Å; A197-L295 HydrophobicContact CB-CG 4.3Å; P236-L295 HydrophobicContact CB-CD2 3.99Å; P236-L295 HydrophobicContact CG-CD2 4.05Å; F290-L295 HydrophobicContact CD2-CG 4.46Å; F290-L295 HydrophobicContact CE2-CD2 3.93Å; F290-L295 HydrophobicContact CE2-CG 4.32Å; F290-L295 HydrophobicContact CZ-CD2 4.19Å; F290-L295 WeakPolarHBondContact O-CG 3.26Å; F290-L295 PolarHBondContact O-N 3.07Å; E293-L295 PolarHBondContact O-N 2.92Å
296	N	85.4	Confident	88.1	Confident	72 Å²	72	67.6 Å²	67.6	39%	0.385	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-16	179.5	-68.4	-39.2	0	0	0	113.4	K101 I291 D292 E293 E294 G298	K101-N296 PolarHBondContact NZ-OD1 2.93Å; I291-N296 PolarHBondContact O-ND2 2.87Å; D292-N296 WeakPolarHBondContact CA-ND2 3.47Å; D292-N296 WeakPolarHBondContact O-CB 3.46Å; D292-N296 PolarHBondContact O-ND2 2.96Å; E293-N296 PolarHBondContact O-N 3.03Å; E294-N296 VanDerWaalsContact C-N 3.27Å; E294-N296 PolarHBondContact O-N 3.35Å; N296-G298 PolarHBondContact O-N 2.95Å
297	S	80.5	Confident	87.3	Confident	91 Å²	91	71.8 Å²	71.8	64%	0.636	40%	0.395	S	S	*	.	S	Bend	trans	-73.4	-6.9	-175.2	-66.7	0	0	0	0	114.7	E293	E293-S297 WeakPolarHBondContact O-CB 3.4Å; E293-S297 PolarHBondContact O-N 3.46Å; E293-S297 PolarHBondContact O-OG 2.97Å
298	G	58	Low	86.4	Confident	63 Å²	63	77.8 Å²	77.8	65%	0.649	43%	0.427	S	S	*	.			trans	51.6	82.2	170.4	0	0	0	0	0	113.9	N296	N296-G298 PolarHBondContact O-N 2.95Å
299	N	39.4	Very low	85.4	Confident	245 Å²	245	76.6 Å²	76.6	100%	1.31	44%	0.435	S	S	*	.			trans	-71.5	0	156.4	-79.4	-21	0	0	0	110.2

Retrieved 299 of 299 residues in 893.6 ms (Link to these results)

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