A0A077Z8H8_TRITR Loading...

Ubiquitin domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z8H8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 284 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	55.9	Low	57.6	Low	237 Å²	237	143.7 Å²	143.7	100%	1.167	81%	0.814	S	S	*	*				0	112	0	-59.3	-177.5	79.9	0	0	106
2	S	58	Low	57.5	Low	104 Å²	104	143.8 Å²	143.8	73%	0.727	80%	0.798	S	S	*	*			cis	-154	132.8	0.5	-61.5	0	0	0	0	105.9
3	S	62.8	Low	57.6	Low	104 Å²	104	146.2 Å²	146.2	73%	0.727	80%	0.8	S	S	*	*			trans	-74.9	133.2	169.1	39.9	0	0	0	0	109.5
4	E	71.5	Confident	58.2	Low	184 Å²	184	146.1 Å²	146.1	86%	0.86	79%	0.791	S	S	*	*			trans	-125.4	103.5	166.3	-71.9	-173.6	163.7	0	0	109.6	S6	E4-S6 PolarHBondContact O-N 3.43Å
5	D	54.5	Low	59.8	Low	150 Å²	150	141.1 Å²	141.1	80%	0.802	77%	0.767	S	S	*	*			trans	-64	114.1	173.1	-61.3	-59.8	0	0	0	110.4	N7	D5-N7 PolarHBondContact O-N 3.45Å
6	S	59.2	Low	61.6	Low	121 Å²	121	136.8 Å²	136.8	85%	0.846	76%	0.756	S	S	*	*			trans	-97.5	75.4	166.6	-61.7	0	0	0	0	109.1	E4 S8	E4-S6 PolarHBondContact O-N 3.43Å; S6-S8 VanDerWaalsContact C-N 3.35Å; S6-S8 PolarHBondContact O-N 3.42Å
7	N	53	Low	63.3	Low	141 Å²	141	130 Å²	130	75%	0.754	72%	0.719	S	S	*	*			trans	-85.1	81.3	170.9	-147.7	11.9	0	0	0	108.2	D5 I9	D5-N7 PolarHBondContact O-N 3.45Å; N7-I9 PolarHBondContact O-N 3.08Å
8	S	53.4	Low	65	Low	111 Å²	111	125.4 Å²	125.4	78%	0.776	70%	0.695	S	S	*	*			trans	-73.3	90.2	175.7	59.2	0	0	0	0	109.9	S6 S10	S6-S8 VanDerWaalsContact C-N 3.35Å; S6-S8 PolarHBondContact O-N 3.42Å; S8-S10 PolarHBondContact O-N 3.08Å
9	I	55.4	Low	66.5	Low	141 Å²	141	118.8 Å²	118.8	72%	0.723	66%	0.658	S	S	*	*			trans	-77.2	102.1	166.6	-62.5	171	0	0	0	106.1	N7 E11	N7-I9 PolarHBondContact O-N 3.08Å; I9-E11 PolarHBondContact O-N 3Å; I9-E11 VanDerWaalsContact O-N 3.09Å
10	S	55	Low	67.8	Low	95 Å²	95	114.9 Å²	114.9	66%	0.664	64%	0.635	S	S	*	*			trans	-59.1	109.3	169.4	52.2	0	0	0	0	109.2	S8 K12	S8-S10 PolarHBondContact O-N 3.08Å; S10-K12 VanDerWaalsContact C-N 3.34Å; S10-K12 PolarHBondContact O-N 3.06Å
11	E	54.8	Low	69	Low	193 Å²	193	109.4 Å²	109.4	90%	0.902	60%	0.604	S	S	*	*			trans	-60	95.7	167.8	-67	177	164.6	0	0	108	I9 E13	I9-E11 PolarHBondContact O-N 3Å; I9-E11 VanDerWaalsContact O-N 3.09Å; E11-E13 PolarHBondContact O-N 3.48Å
12	K	56.3	Low	70.5	Confident	144 Å²	144	100.5 Å²	100.5	63%	0.626	56%	0.561	S	S	*	*			trans	-66.9	123.1	168.1	-75.8	-175.7	173.7	-172.9	0	107.4	S10 Q14	S10-K12 VanDerWaalsContact C-N 3.34Å; S10-K12 PolarHBondContact O-N 3.06Å; K12-Q14 PolarHBondContact O-N 3.39Å
13	E	59.4	Low	71.6	Confident	175 Å²	175	96.8 Å²	96.8	82%	0.818	53%	0.533	S	S	*	.			trans	-62.8	95	-180	-155.3	171.7	-167.2	0	0	109.1	E11 T15	E11-E13 PolarHBondContact O-N 3.48Å; E13-T15 PolarHBondContact O-N 2.84Å
14	Q	65.9	Low	72.1	Confident	146 Å²	146	95 Å²	95	68%	0.682	52%	0.517	S	S	*	.			trans	-71.1	100.3	179	-74.5	167.6	26	0	0	109	K12	K12-Q14 PolarHBondContact O-N 3.39Å
15	T	82.3	Confident	72.1	Confident	70 Å²	70	90.5 Å²	90.5	43%	0.429	51%	0.506	S	S	.	.			trans	-94.8	124.1	174	49.2	0	0	0	0	109.8	E13 S35	E13-T15 PolarHBondContact O-N 2.84Å; T15-S35 PolarHBondContact N-OG 3.29Å; T15-S35 WeakPolarHBondContact O-CB 3.23Å; T15-S35 PolarHBondContact O-N 2.97Å; T15-S35 PolarHBondContact O-OG 2.88Å; T15-S35 WeakPolarHBondContact OG1-CB 3.48Å; T15-S35 PolarHBondContact OG1-OG 2.87Å
16	A	87.6	Confident	73	Confident	72 Å²	72	86.1 Å²	86.1	60%	0.595	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	128.9	173.3	0	0	0	0	0	109.7
17	L	91.8	Very high	74.1	Confident	22 Å²	22	87.1 Å²	87.1	12%	0.115	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	143.6	178.6	-54.7	178.5	0	0	0	110.4	N32 V33 V72 D79	L17-N32 CarbonylContact O-C 3.58Å; L17-N32 WeakPolarHBondContact O-CA 3.43Å; L17-V33 WeakPolarHBondContact CA-O 3.38Å; L17-V33 PolarHBondContact N-O 3.27Å; L17-V33 PolarHBondContact O-N 3.38Å; L17-V72 HydrophobicContact CD1-CG1 3.77Å; L17-D79 HydrophobicContact CD2-CB 4.06Å
18	T	93.2	Very high	75.8	Confident	47 Å²	47	86 Å²	86	29%	0.288	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	109.6	177.9	-51.9	0	0	0	0	109.5	T30 D79 G80	T18-T30 HydrophobicContact CG2-CG2 3.35Å; T18-D79 WeakPolarHBondContact CA-OD1 3.05Å; T18-D79 WeakPolarHBondContact CB-OD1 3.49Å; T18-D79 PolarHBondContact N-OD1 2.99Å; T18-D79 PolarHBondContact OG1-OD1 3.47Å; T18-G80 WeakPolarHBondContact O-CA 3.29Å; T18-G80 PolarHBondContact O-N 3.18Å
19	L	93.4	Very high	77.6	Confident	0 Å²	0	81.6 Å²	81.6	0%	0	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	143.9	-179.4	-61.7	177	0	0	0	111.8	I21 T30 I31 L42 V72 L77 N78 D81	L19-I21 HydrophobicContact CB-CD1 4.45Å; L19-T30 CarbonylContact O-C 3.58Å; L19-T30 WeakPolarHBondContact O-CA 3.42Å; L19-I31 PolarHBondContact N-O 2.86Å; L19-I31 PolarHBondContact O-N 3.21Å; L19-L42 HydrophobicContact CD1-CD1 4.22Å; L19-L42 HydrophobicContact CD1-CD2 3.99Å; L19-V72 HydrophobicContact CD1-CG1 4.27Å; L19-L77 HydrophobicContact CD1-CD1 4.19Å; L19-L77 HydrophobicContact CD2-CB 4.23Å; L19-N78 WeakPolarHBondContact CD2-O 3.44Å; L19-D81 HydrophobicContact CD2-CB 4.17Å
20	H	92.7	Very high	79.4	Confident	41 Å²	41	78.5 Å²	78.5	19%	0.19	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	113.3	176.7	-70.4	-39.8	0	0	0	111	K28 A29 T30 G80 D81 T82 V83	H20-K28 PolarHBondContact CD2-NZ 3.08Å; H20-K28 VanDerWaalsContact CD2-NZ 3.35Å; H20-K28 WeakPolarHBondContact ND1-CE 3.34Å; H20-K28 PolarHBondContact NE2-NZ 3.41Å; H20-A29 CarbonylContact C-O 3.5Å; H20-T30 PolarHBondContact ND1-OG1 2.9Å; H20-G80 PolarHBondContact CD2-O 3.45Å; H20-D81 PolarHBondContact N-O 2.91Å; H20-T82 CarbonylContact O-C 3.57Å; H20-T82 VanDerWaalsContact O-CA 3.24Å; H20-T82 WeakPolarHBondContact O-CA 3.35Å; H20-V83 PolarHBondContact O-N 2.63Å
21	I	92	Very high	81.2	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.7	178.4	-44.7	-55.9	0	0	0	109.6	L19 K28 A29 I31 L42 I46 W50 V83 L85	L19-I21 HydrophobicContact CB-CD1 4.45Å; I21-K28 CarbonylContact O-C 3.54Å; I21-K28 VanDerWaalsContact O-CA 3.28Å; I21-K28 WeakPolarHBondContact O-CA 3.3Å; I21-A29 PolarHBondContact N-O 3.32Å; I21-A29 PolarHBondContact O-N 3.5Å; I21-I31 HydrophobicContact CG1-CD1 3.64Å; I21-I31 HydrophobicContact CG1-CG1 4.04Å; I21-L42 HydrophobicContact CD1-CD1 4.15Å; I21-L42 HydrophobicContact CD1-CD2 4.32Å; I21-I46 HydrophobicContact CD1-CD1 4.24Å; I21-I46 HydrophobicContact CG1-CD1 4.09Å; I21-I46 HydrophobicContact CG1-CG1 4.23Å; I21-I46 HydrophobicContact CG2-CD1 3.86Å; I21-I46 HydrophobicContact CG2-CG1 4.3Å; I21-W50 HydrophobicContact CB-CH2 3.81Å; I21-W50 HydrophobicContact CB-CZ3 4.11Å; I21-W50 HydrophobicContact CG2-CH2 3.58Å; I21-W50 HydrophobicContact CG2-CZ3 3.43Å; I21-W50 VanDerWaalsContact CG2-CZ3 3.43Å; I21-V83 CarbonylContact C-O 3.53Å; I21-V83 WeakPolarHBondContact CA-O 3.41Å; I21-V83 HydrophobicContact CD1-CB 3.75Å; I21-V83 HydrophobicContact CD1-CG1 4.43Å; I21-V83 HydrophobicContact CD1-CG2 4.24Å; I21-L85 HydrophobicContact CG2-CB 4Å
22	I	87.7	Confident	83	Confident	50 Å²	50	71.1 Å²	71.1	26%	0.256	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.6	175.4	-60.4	-178.8	0	0	0	109.2	K27 K28 T82 V83 L84 L85	I22-K27 WeakPolarHBondContact CA-O 3.42Å; I22-K28 HydrophobicContact CG1-CB 4.26Å; I22-K28 HydrophobicContact CG1-CG 4.17Å; I22-T82 HydrophobicContact CD1-CG2 3.42Å; I22-T82 VanDerWaalsContact CD1-CG2 3.42Å; I22-T82 HydrophobicContact CG1-CG2 3.79Å; I22-V83 PolarHBondContact N-O 3.16Å; I22-L84 HydrophobicContact CB-CD1 4.45Å; I22-L84 HydrophobicContact CG2-CD1 4.32Å; I22-L84 CarbonylContact O-C 3.47Å; I22-L84 WeakPolarHBondContact O-CA 3.23Å; I22-L84 WeakPolarHBondContact O-CD1 3.25Å; I22-L85 PolarHBondContact O-N 2.79Å
23	N	82.5	Confident	84.6	Confident	26 Å²	26	65 Å²	65	14%	0.139	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	157.6	172	-171.4	-14.9	0	0	0	110.2	S25 G26 K27 W50	N23-S25 PolarHBondContact O-N 3.27Å; N23-G26 WeakPolarHBondContact O-CA 3.45Å; N23-G26 PolarHBondContact O-N 3.02Å; N23-K27 PolarHBondContact N-O 3.42Å; N23-W50 HydrophobicContact CB-CH2 4.29Å; N23-W50 HydrophobicContact CB-CZ3 4.32Å
24	V	72.3	Confident	86.2	Confident	66 Å²	66	60.5 Å²	60.5	40%	0.4	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-19.5	171.2	-62.6	0	0	0	0	114.2	G26 L85 V86	V24-G26 VanDerWaalsContact C-N 3.28Å; V24-L85 PolarHBondContact N-O 2.9Å; V24-V86 HydrophobicContact CG1-CG2 4.17Å
25	S	71.7	Confident	87.2	Confident	89 Å²	89	53.9 Å²	53.9	62%	0.622	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	0.5	172	-54.9	0	0	0	0	114.4	N23 K27	N23-S25 PolarHBondContact O-N 3.27Å; S25-K27 VanDerWaalsContact C-N 3.32Å; S25-K27 PolarHBondContact O-N 2.87Å
26	G	74.4	Confident	87.5	Confident	58 Å²	58	53.5 Å²	53.5	60%	0.598	31%	0.313	S	S	*	.	S	Bend	trans	81.1	0.6	-176.9	0	0	0	0	0	115.4	N23 V24 K28	N23-G26 WeakPolarHBondContact O-CA 3.45Å; N23-G26 PolarHBondContact O-N 3.02Å; V24-G26 VanDerWaalsContact C-N 3.28Å; G26-K28 PolarHBondContact O-N 2.83Å
27	K	80.4	Confident	87.7	Confident	142 Å²	142	50.7 Å²	50.7	62%	0.617	29%	0.29	S	S	*	.			trans	-70.7	126.8	175.4	-68.8	-173.3	178.5	-177.9	0	110.2	I22 N23 S25	I22-K27 WeakPolarHBondContact CA-O 3.42Å; N23-K27 PolarHBondContact N-O 3.42Å; S25-K27 VanDerWaalsContact C-N 3.32Å; S25-K27 PolarHBondContact O-N 2.87Å
28	K	88.8	Confident	87.7	Confident	118 Å²	118	54.7 Å²	54.7	51%	0.513	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	138.2	176.5	-175.3	175.1	173.6	171.5	0	110.9	H20 I21 I22 G26	H20-K28 PolarHBondContact CD2-NZ 3.08Å; H20-K28 VanDerWaalsContact CD2-NZ 3.35Å; H20-K28 WeakPolarHBondContact ND1-CE 3.34Å; H20-K28 PolarHBondContact NE2-NZ 3.41Å; I21-K28 CarbonylContact O-C 3.54Å; I21-K28 VanDerWaalsContact O-CA 3.28Å; I21-K28 WeakPolarHBondContact O-CA 3.3Å; I22-K28 HydrophobicContact CG1-CB 4.26Å; I22-K28 HydrophobicContact CG1-CG 4.17Å; G26-K28 PolarHBondContact O-N 2.83Å
29	A	91	Very high	87.7	Confident	19 Å²	19	52.5 Å²	52.5	16%	0.157	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	153.9	167.3	0	0	0	0	0	109.5	H20 I21 L49 W50	H20-A29 CarbonylContact C-O 3.5Å; I21-A29 PolarHBondContact N-O 3.32Å; I21-A29 PolarHBondContact O-N 3.5Å; A29-L49 HydrophobicContact CB-CD1 4.37Å; A29-W50 HydrophobicContact CB-CH2 4.04Å; A29-W50 HydrophobicContact CB-CZ2 3.47Å; A29-W50 VanDerWaalsContact CB-CZ2 3.47Å
30	T	93.6	Very high	87.7	Confident	76 Å²	76	54.6 Å²	54.6	47%	0.466	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	132.3	176.3	-55.8	0	0	0	0	108.8	T18 L19 H20	T18-T30 HydrophobicContact CG2-CG2 3.35Å; L19-T30 CarbonylContact O-C 3.58Å; L19-T30 WeakPolarHBondContact O-CA 3.42Å; H20-T30 PolarHBondContact ND1-OG1 2.9Å
31	I	93	Very high	87.6	Confident	14 Å²	14	56.9 Å²	56.9	7%	0.072	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	130	-177.6	-51.9	-176.7	0	0	0	108.5	L19 I21 V33 L42 A45 I46 L49	L19-I31 PolarHBondContact N-O 2.86Å; L19-I31 PolarHBondContact O-N 3.21Å; I21-I31 HydrophobicContact CG1-CD1 3.64Å; I21-I31 HydrophobicContact CG1-CG1 4.04Å; I31-V33 HydrophobicContact CB-CG2 4.49Å; I31-V33 HydrophobicContact CG2-CG2 3.64Å; I31-L42 HydrophobicContact CB-CD1 4.31Å; I31-L42 HydrophobicContact CD1-CD1 4.08Å; I31-L42 HydrophobicContact CG2-CD1 4.15Å; I31-A45 HydrophobicContact CD1-CB 4.13Å; I31-A45 HydrophobicContact CG2-CB 3.87Å; I31-I46 HydrophobicContact CD1-CG1 3.6Å; I31-L49 HydrophobicContact CD1-CD1 3.75Å; I31-L49 HydrophobicContact CG1-CD1 3.81Å
32	N	92.4	Very high	87.6	Confident	119 Å²	119	56.9 Å²	56.9	64%	0.636	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	127.7	174	-61.7	-2.1	0	0	0	108.9	L17	L17-N32 CarbonylContact O-C 3.58Å; L17-N32 WeakPolarHBondContact O-CA 3.43Å
33	V	91.3	Very high	87.8	Confident	14 Å²	14	55.1 Å²	55.1	9%	0.085	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	142	-174.9	-175.9	0	0	0	0	109.8	L17 I31 A37 L42 V72	L17-V33 WeakPolarHBondContact CA-O 3.38Å; L17-V33 PolarHBondContact N-O 3.27Å; L17-V33 PolarHBondContact O-N 3.38Å; I31-V33 HydrophobicContact CB-CG2 4.49Å; I31-V33 HydrophobicContact CG2-CG2 3.64Å; V33-A37 HydrophobicContact CG1-CB 3.45Å; V33-A37 VanDerWaalsContact CG1-CB 3.45Å; V33-L42 HydrophobicContact CG2-CD1 3.79Å; V33-V72 HydrophobicContact CG1-CG2 4.01Å
34	D	91.4	Very high	88.2	Confident	82 Å²	82	55.5 Å²	55.5	44%	0.439	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	145.3	176.3	-52.1	-40.6	0	0	0	111.4	D36 A37	D34-D36 PolarHBondContact O-N 2.86Å; D34-A37 HydrophobicContact CB-CB 4.43Å; D34-A37 WeakPolarHBondContact O-CB 3.43Å; D34-A37 PolarHBondContact O-N 3.19Å
35	S	88.5	Confident	89.2	Confident	6 Å²	6	53.5 Å²	53.5	4%	0.042	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.2	-179.3	53.4	0	0	0	0	114.2	T15 T73	T15-S35 PolarHBondContact N-OG 3.29Å; T15-S35 WeakPolarHBondContact O-CB 3.23Å; T15-S35 PolarHBondContact O-N 2.97Å; T15-S35 PolarHBondContact O-OG 2.88Å; T15-S35 WeakPolarHBondContact OG1-CB 3.48Å; T15-S35 PolarHBondContact OG1-OG 2.87Å; S35-T73 VanDerWaalsContact O-CG2 3.31Å; S35-T73 WeakPolarHBondContact O-CG2 3.34Å; S35-T73 PolarHBondContact O-N 3.5Å; S35-T73 PolarHBondContact O-OG1 2.9Å; S35-T73 VanDerWaalsContact O-OG1 3.04Å
36	D	88.6	Confident	90	Very high	63 Å²	63	49.3 Å²	49.3	34%	0.337	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-4	176.6	-75.1	-23.2	0	0	0	113.7	D34	D34-D36 PolarHBondContact O-N 2.86Å
37	A	90.6	Very high	90.7	Very high	13 Å²	13	49.9 Å²	49.9	11%	0.107	26%	0.262	C	S	.	.			trans	-68.8	149.1	-179.8	0	0	0	0	0	111.3	V33 D34 N41 T71 V72	V33-A37 HydrophobicContact CG1-CB 3.45Å; V33-A37 VanDerWaalsContact CG1-CB 3.45Å; D34-A37 HydrophobicContact CB-CB 4.43Å; D34-A37 WeakPolarHBondContact O-CB 3.43Å; D34-A37 PolarHBondContact O-N 3.19Å; A37-N41 HydrophobicContact CB-CB 4.47Å; A37-T71 CarbonylContact O-C 3.6Å; A37-T71 VanDerWaalsContact O-CA 3.28Å; A37-T71 WeakPolarHBondContact O-CA 3.41Å; A37-V72 WeakPolarHBondContact O-CG2 3.47Å; A37-V72 PolarHBondContact O-N 3.37Å
38	K	92.9	Very high	91.1	Very high	106 Å²	106	53.1 Å²	53.1	46%	0.461	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-78.4	153	173.7	-67.6	-174.4	175.1	-170	0	111.8	V40 N41 C70	K38-V40 PolarHBondContact O-N 2.95Å; K38-N41 VanDerWaalsContact O-CB 3.32Å; K38-N41 WeakPolarHBondContact O-CB 3.45Å; K38-N41 PolarHBondContact O-N 3.3Å; K38-C70 WeakPolarHBondContact CA-O 3.37Å
39	I	92.7	Very high	91	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-57	-31.3	173.4	-64.4	-55.4	0	0	0	112.2	N41 L42 K43 L59 L66 C67 C70 V72 C75 L77	I39-N41 VanDerWaalsContact C-N 3.26Å; I39-N41 PolarHBondContact O-N 3.29Å; I39-L42 WeakPolarHBondContact O-CB 3.49Å; I39-L42 PolarHBondContact O-N 3.35Å; I39-L42 VanDerWaalsContact O-N 3.11Å; I39-K43 PolarHBondContact O-N 2.9Å; I39-L59 HydrophobicContact CG2-CD1 4.07Å; I39-L66 HydrophobicContact CD1-CB 4.41Å; I39-L66 HydrophobicContact CD1-CD1 3.94Å; I39-L66 HydrophobicContact CG1-CB 4.25Å; I39-L66 HydrophobicContact CG2-CB 3.96Å; I39-C67 VanDerWaalsContact CB-O 3.32Å; I39-C67 WeakPolarHBondContact CB-O 3.43Å; I39-C67 WeakPolarHBondContact CG1-O 3.43Å; I39-C70 HydrophobicContact CG1-CB 4.43Å; I39-C70 WeakPolarHBondContact CG1-O 3.23Å; I39-C70 PolarHBondContact N-O 3.27Å; I39-V72 HydrophobicContact CD1-CG2 4.43Å; I39-C75 HydrophobicContact CD1-CB 4.3Å; I39-L77 HydrophobicContact CD1-CD1 3.87Å
40	V	92.6	Very high	90.7	Very high	45 Å²	45	54 Å²	54	27%	0.273	27%	0.273	S	S	.	.	H	α-helix	trans	-55.5	-39.9	171.3	172.7	0	0	0	0	112.3	K38 L42 K43 C44 L54 D68	K38-V40 PolarHBondContact O-N 2.95Å; V40-L42 VanDerWaalsContact C-N 3.32Å; V40-L42 PolarHBondContact O-N 3.47Å; V40-K43 PolarHBondContact O-N 2.85Å; V40-C44 PolarHBondContact O-N 3.4Å; V40-C44 PolarHBondContact O-SG 3.28Å; V40-C44 VanDerWaalsContact O-SG 3.37Å; V40-L54 HydrophobicContact CG1-CD2 3.94Å; V40-D68 HydrophobicContact CG2-CB 3.48Å; V40-D68 VanDerWaalsContact CG2-CB 3.48Å; V40-D68 WeakPolarHBondContact CG2-O 3.49Å
41	N	91.8	Very high	90.2	Very high	89 Å²	89	55.3 Å²	55.3	48%	0.476	29%	0.285	S	S	.	.	H	α-helix	trans	-66.1	-38.2	179	-65.6	-14.5	0	0	0	111	A37 K38 I39 C44 A45	A37-N41 HydrophobicContact CB-CB 4.47Å; K38-N41 VanDerWaalsContact O-CB 3.32Å; K38-N41 WeakPolarHBondContact O-CB 3.45Å; K38-N41 PolarHBondContact O-N 3.3Å; I39-N41 VanDerWaalsContact C-N 3.26Å; I39-N41 PolarHBondContact O-N 3.29Å; N41-C44 WeakPolarHBondContact O-CB 3.44Å; N41-C44 PolarHBondContact O-N 2.97Å; N41-A45 PolarHBondContact O-N 3.36Å
42	L	91.6	Very high	89.7	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.6	-42.9	173.4	-177.3	64.3	0	0	0	111.1	L19 I21 I31 V33 I39 V40 C44 A45 I46 L59	L19-L42 HydrophobicContact CD1-CD1 4.22Å; L19-L42 HydrophobicContact CD1-CD2 3.99Å; I21-L42 HydrophobicContact CD1-CD1 4.15Å; I21-L42 HydrophobicContact CD1-CD2 4.32Å; I31-L42 HydrophobicContact CB-CD1 4.31Å; I31-L42 HydrophobicContact CD1-CD1 4.08Å; I31-L42 HydrophobicContact CG2-CD1 4.15Å; V33-L42 HydrophobicContact CG2-CD1 3.79Å; I39-L42 WeakPolarHBondContact O-CB 3.49Å; I39-L42 PolarHBondContact O-N 3.35Å; I39-L42 VanDerWaalsContact O-N 3.11Å; V40-L42 VanDerWaalsContact C-N 3.32Å; V40-L42 PolarHBondContact O-N 3.47Å; L42-C44 PolarHBondContact O-N 3.31Å; L42-A45 WeakPolarHBondContact O-CB 3.36Å; L42-A45 PolarHBondContact O-N 2.79Å; L42-I46 HydrophobicContact CG-CD1 4.19Å; L42-I46 VanDerWaalsContact O-CG1 3.31Å; L42-I46 WeakPolarHBondContact O-CG1 3.25Å; L42-I46 PolarHBondContact O-N 3.01Å; L42-L59 HydrophobicContact CD2-CD1 3.83Å; L42-L59 HydrophobicContact CG-CD1 4.08Å
43	K	91.9	Very high	89.4	Confident	13 Å²	13	51.9 Å²	51.9	6%	0.057	27%	0.27	C	S	.	.	H	α-helix	trans	-62.3	-40.6	174.5	-71.3	-172.6	177	-179	0	113	I39 V40 A45 I46 E47 L54 Q57 L59 D68	I39-K43 PolarHBondContact O-N 2.9Å; V40-K43 PolarHBondContact O-N 2.85Å; K43-A45 VanDerWaalsContact C-N 3.32Å; K43-A45 PolarHBondContact O-N 2.87Å; K43-I46 PolarHBondContact O-N 2.93Å; K43-E47 PolarHBondContact O-N 3.43Å; K43-L54 HydrophobicContact CB-CD2 4.05Å; K43-L54 HydrophobicContact CB-CG 4.04Å; K43-Q57 VanDerWaalsContact CA-OE1 3.23Å; K43-Q57 HydrophobicContact CD-CB 4.2Å; K43-Q57 WeakPolarHBondContact CE-O 3.45Å; K43-Q57 HydrophobicContact CG-CB 4.34Å; K43-Q57 PolarHBondContact NZ-O 3.47Å; K43-Q57 VanDerWaalsContact NZ-O 3.11Å; K43-Q57 PolarHBondContact O-NE2 2.95Å; K43-Q57 PolarHBondContact O-OE1 2.06Å; K43-L59 HydrophobicContact CG-CD1 3.69Å; K43-L59 HydrophobicContact CG-CG 4.12Å; K43-D68 VanDerWaalsContact CD-OD1 3.25Å; K43-D68 WeakPolarHBondContact CD-OD1 3.08Å; K43-D68 WeakPolarHBondContact CE-OD1 3.15Å; K43-D68 IonicContact NZ-OD1 2.63Å; K43-D68 PolarHBondContact NZ-OD1 3.41Å; K43-D68 IonicContact NZ-OD2 2.63Å; K43-D68 PolarHBondContact NZ-OD2 2.98Å
44	C	91.8	Very high	89.1	Confident	33 Å²	33	53.4 Å²	53.4	22%	0.223	28%	0.277	C	S	.	.	H	α-helix	trans	-59.4	-42.4	172.7	-73.4	0	0	0	0	111.8	V40 N41 L42 I46 E47 R48	V40-C44 PolarHBondContact O-N 3.4Å; V40-C44 PolarHBondContact O-SG 3.28Å; V40-C44 VanDerWaalsContact O-SG 3.37Å; N41-C44 WeakPolarHBondContact O-CB 3.44Å; N41-C44 PolarHBondContact O-N 2.97Å; L42-C44 PolarHBondContact O-N 3.31Å; C44-I46 VanDerWaalsContact C-N 3.34Å; C44-E47 PolarHBondContact O-N 2.96Å; C44-R48 WeakPolarHBondContact O-CG 3.3Å; C44-R48 PolarHBondContact O-N 3.44Å; C44-R48 VanDerWaalsContact O-N 3.13Å
45	A	91.6	Very high	88.7	Confident	24 Å²	24	58.1 Å²	58.1	20%	0.198	30%	0.297	C	S	.	.	H	α-helix	trans	-63.8	-41.4	176.8	0	0	0	0	0	111.6	I31 N41 L42 K43 R48 L49	I31-A45 HydrophobicContact CD1-CB 4.13Å; I31-A45 HydrophobicContact CG2-CB 3.87Å; N41-A45 PolarHBondContact O-N 3.36Å; L42-A45 WeakPolarHBondContact O-CB 3.36Å; L42-A45 PolarHBondContact O-N 2.79Å; K43-A45 VanDerWaalsContact C-N 3.32Å; K43-A45 PolarHBondContact O-N 2.87Å; A45-R48 PolarHBondContact O-N 3.28Å; A45-L49 WeakPolarHBondContact O-CG 3.29Å; A45-L49 PolarHBondContact O-N 2.96Å
46	I	89.9	Confident	88.3	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-64.6	-39.9	175.4	-68.9	169.3	0	0	0	111.6	I21 I31 L42 K43 C44 R48 L49 W50 Q57 L59 L85	I21-I46 HydrophobicContact CD1-CD1 4.24Å; I21-I46 HydrophobicContact CG1-CD1 4.09Å; I21-I46 HydrophobicContact CG1-CG1 4.23Å; I21-I46 HydrophobicContact CG2-CD1 3.86Å; I21-I46 HydrophobicContact CG2-CG1 4.3Å; I31-I46 HydrophobicContact CD1-CG1 3.6Å; L42-I46 HydrophobicContact CG-CD1 4.19Å; L42-I46 VanDerWaalsContact O-CG1 3.31Å; L42-I46 WeakPolarHBondContact O-CG1 3.25Å; L42-I46 PolarHBondContact O-N 3.01Å; K43-I46 PolarHBondContact O-N 2.93Å; C44-I46 VanDerWaalsContact C-N 3.34Å; I46-R48 VanDerWaalsContact C-N 3.3Å; I46-R48 PolarHBondContact O-N 3.17Å; I46-L49 PolarHBondContact O-N 2.98Å; I46-L49 VanDerWaalsContact O-N 3.17Å; I46-W50 HydrophobicContact CG2-CE3 3.71Å; I46-W50 HydrophobicContact CG2-CZ3 4.13Å; I46-W50 PolarHBondContact O-N 3.45Å; I46-Q57 HydrophobicContact CG2-CG 4.49Å; I46-Q57 VanDerWaalsContact CG2-OE1 3.31Å; I46-L59 HydrophobicContact CD1-CD1 3.99Å; I46-L59 HydrophobicContact CD1-CD2 3.48Å; I46-L59 VanDerWaalsContact CD1-CD2 3.48Å; I46-L59 HydrophobicContact CD1-CG 4.38Å; I46-L85 HydrophobicContact CG2-CD1 4.33Å; I46-L85 HydrophobicContact CG2-CD2 3.68Å
47	E	89.2	Confident	88.3	Confident	71 Å²	71	55.7 Å²	55.7	33%	0.332	28%	0.283	S	S	.	.	H	α-helix	trans	-59.8	-42.8	175.9	-179.3	178.6	-134.4	0	0	110.7	K43 C44 L49 S51 V52 P53 L54	K43-E47 PolarHBondContact O-N 3.43Å; C44-E47 PolarHBondContact O-N 2.96Å; E47-L49 VanDerWaalsContact C-N 3.31Å; E47-L49 PolarHBondContact O-N 3.34Å; E47-S51 WeakPolarHBondContact O-CA 3.31Å; E47-S51 PolarHBondContact O-N 2.95Å; E47-V52 WeakPolarHBondContact CA-O 3.36Å; E47-V52 WeakPolarHBondContact CB-O 3.31Å; E47-V52 WeakPolarHBondContact CG-O 3.37Å; E47-P53 WeakPolarHBondContact OE1-CA 3.34Å; E47-L54 HydrophobicContact CB-CD1 4.47Å; E47-L54 WeakPolarHBondContact OE2-CD1 3.49Å
48	R	87.8	Confident	88.1	Confident	210 Å²	210	55.6 Å²	55.6	79%	0.792	28%	0.28	S	S	*	.	H	α-helix	trans	-64.5	-34.1	176.7	-67.9	173.1	-173.8	161.4	2.1	112.9	C44 A45 I46	C44-R48 WeakPolarHBondContact O-CG 3.3Å; C44-R48 PolarHBondContact O-N 3.44Å; C44-R48 VanDerWaalsContact O-N 3.13Å; A45-R48 PolarHBondContact O-N 3.28Å; I46-R48 VanDerWaalsContact C-N 3.3Å; I46-R48 PolarHBondContact O-N 3.17Å
49	L	86.1	Confident	88	Confident	96 Å²	96	50.6 Å²	50.6	50%	0.503	26%	0.259	S	S	.	.	H	α-helix	trans	-82.2	-40.9	-177.2	-71.6	172.1	0	0	0	113.7	A29 I31 A45 I46 E47	A29-L49 HydrophobicContact CB-CD1 4.37Å; I31-L49 HydrophobicContact CD1-CD1 3.75Å; I31-L49 HydrophobicContact CG1-CD1 3.81Å; A45-L49 WeakPolarHBondContact O-CG 3.29Å; A45-L49 PolarHBondContact O-N 2.96Å; I46-L49 PolarHBondContact O-N 2.98Å; I46-L49 VanDerWaalsContact O-N 3.17Å; E47-L49 VanDerWaalsContact C-N 3.31Å; E47-L49 PolarHBondContact O-N 3.34Å
50	W	85.1	Confident	87.6	Confident	59 Å²	59	50.9 Å²	50.9	22%	0.223	26%	0.261	C	S	.	.	H	α-helix	trans	-118.8	2.1	-173.5	-67.1	-32.2	0	0	0	114.3	I21 N23 A29 I46 V52 L85	I21-W50 HydrophobicContact CB-CH2 3.81Å; I21-W50 HydrophobicContact CB-CZ3 4.11Å; I21-W50 HydrophobicContact CG2-CH2 3.58Å; I21-W50 HydrophobicContact CG2-CZ3 3.43Å; I21-W50 VanDerWaalsContact CG2-CZ3 3.43Å; N23-W50 HydrophobicContact CB-CH2 4.29Å; N23-W50 HydrophobicContact CB-CZ3 4.32Å; A29-W50 HydrophobicContact CB-CH2 4.04Å; A29-W50 HydrophobicContact CB-CZ2 3.47Å; A29-W50 VanDerWaalsContact CB-CZ2 3.47Å; I46-W50 HydrophobicContact CG2-CE3 3.71Å; I46-W50 HydrophobicContact CG2-CZ3 4.13Å; I46-W50 PolarHBondContact O-N 3.45Å; W50-V52 HydrophobicContact CB-CG2 4.1Å; W50-V52 PolarHBondContact O-N 3.39Å; W50-L85 HydrophobicContact CE3-CD2 3.28Å; W50-L85 HydrophobicContact CZ3-CB 4.08Å; W50-L85 HydrophobicContact CZ3-CD2 3.43Å; W50-L85 VanDerWaalsContact CZ3-CD2 3.43Å; W50-L85 HydrophobicContact CZ3-CG 4.4Å
51	S	84.4	Confident	87.3	Confident	103 Å²	103	49.4 Å²	49.4	72%	0.72	25%	0.251	S	S	*	.			trans	56.6	34	179.3	-52.3	0	0	0	0	113.3	E47	E47-S51 WeakPolarHBondContact O-CA 3.31Å; E47-S51 PolarHBondContact O-N 2.95Å
52	V	82.2	Confident	86.8	Confident	17 Å²	17	50.9 Å²	50.9	10%	0.103	26%	0.259	C	S	.	.			trans	-98.7	119.5	175.8	-175.8	0	0	0	0	108.5	E47 W50 E56 Q57 S87	E47-V52 WeakPolarHBondContact CA-O 3.36Å; E47-V52 WeakPolarHBondContact CB-O 3.31Å; E47-V52 WeakPolarHBondContact CG-O 3.37Å; W50-V52 HydrophobicContact CB-CG2 4.1Å; W50-V52 PolarHBondContact O-N 3.39Å; V52-E56 HydrophobicContact CG1-CB 4.03Å; V52-Q57 HydrophobicContact CB-CG 4.09Å; V52-Q57 HydrophobicContact CG1-CG 3.67Å; V52-Q57 PolarHBondContact O-NE2 2.93Å; V52-S87 WeakPolarHBondContact CG1-OG 3.36Å
53	P	85.5	Confident	85.7	Confident	44 Å²	44	53.9 Å²	53.9	29%	0.286	28%	0.275	S	S	.	.			trans	-58.8	144.4	178.9	-27.2	36.9	0	0	0	113.2	E47 E55 E56 Q57	E47-P53 WeakPolarHBondContact OE1-CA 3.34Å; P53-E55 PolarHBondContact O-N 3.22Å; P53-E55 VanDerWaalsContact O-N 3.14Å; P53-E56 WeakPolarHBondContact CD-OE1 3.26Å; P53-E56 VanDerWaalsContact CG-OE1 3.3Å; P53-E56 WeakPolarHBondContact CG-OE1 3.31Å; P53-E56 WeakPolarHBondContact O-CB 3.25Å; P53-E56 PolarHBondContact O-N 2.7Å; P53-Q57 WeakPolarHBondContact O-CG 3.46Å; P53-Q57 PolarHBondContact O-N 3.48Å
54	L	85.9	Confident	85.1	Confident	47 Å²	47	57.7 Å²	57.7	25%	0.246	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-51.9	-40.5	-177	-76.4	88.9	0	0	0	113.6	V40 K43 E47 E56 Q57	V40-L54 HydrophobicContact CG1-CD2 3.94Å; K43-L54 HydrophobicContact CB-CD2 4.05Å; K43-L54 HydrophobicContact CB-CG 4.04Å; E47-L54 HydrophobicContact CB-CD1 4.47Å; E47-L54 WeakPolarHBondContact OE2-CD1 3.49Å; L54-E56 PolarHBondContact O-N 2.8Å; L54-Q57 PolarHBondContact O-N 3.3Å; L54-Q57 VanDerWaalsContact O-N 3.08Å
55	E	82.4	Confident	84.8	Confident	181 Å²	181	59.8 Å²	59.8	85%	0.846	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-64.2	-25.9	-178.9	-61.4	-179.5	-177.4	0	0	112.8	P53	P53-E55 PolarHBondContact O-N 3.22Å; P53-E55 VanDerWaalsContact O-N 3.14Å
56	E	80.8	Confident	84.6	Confident	15 Å²	15	59 Å²	59	7%	0.07	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-89.5	-16.9	176.9	-69.2	168.8	-131.6	0	0	112.6	V52 P53 L54 S87 K88 N90	V52-E56 HydrophobicContact CG1-CB 4.03Å; P53-E56 WeakPolarHBondContact CD-OE1 3.26Å; P53-E56 VanDerWaalsContact CG-OE1 3.3Å; P53-E56 WeakPolarHBondContact CG-OE1 3.31Å; P53-E56 WeakPolarHBondContact O-CB 3.25Å; P53-E56 PolarHBondContact O-N 2.7Å; L54-E56 PolarHBondContact O-N 2.8Å; E56-S87 CarbonylContact O-C 3.51Å; E56-S87 WeakPolarHBondContact O-CA 3.44Å; E56-K88 HydrophobicContact CB-CB 4.35Å; E56-K88 PolarHBondContact O-N 2.96Å; E56-N90 VanDerWaalsContact CD-N 3.3Å; E56-N90 WeakPolarHBondContact OE1-CB 2.97Å; E56-N90 PolarHBondContact OE1-ND2 3.34Å; E56-N90 PolarHBondContact OE2-N 2.95Å
57	Q	87.4	Confident	84.5	Confident	3 Å²	3	62.7 Å²	62.7	1%	0.014	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	123.9	-178.9	-62.3	-178.1	32.7	0	0	111.1	K43 I46 V52 P53 L54 L85	K43-Q57 VanDerWaalsContact CA-OE1 3.23Å; K43-Q57 HydrophobicContact CD-CB 4.2Å; K43-Q57 WeakPolarHBondContact CE-O 3.45Å; K43-Q57 HydrophobicContact CG-CB 4.34Å; K43-Q57 PolarHBondContact NZ-O 3.47Å; K43-Q57 VanDerWaalsContact NZ-O 3.11Å; K43-Q57 PolarHBondContact O-NE2 2.95Å; K43-Q57 PolarHBondContact O-OE1 2.06Å; I46-Q57 HydrophobicContact CG2-CG 4.49Å; I46-Q57 VanDerWaalsContact CG2-OE1 3.31Å; V52-Q57 HydrophobicContact CB-CG 4.09Å; V52-Q57 HydrophobicContact CG1-CG 3.67Å; V52-Q57 PolarHBondContact O-NE2 2.93Å; P53-Q57 WeakPolarHBondContact O-CG 3.46Å; P53-Q57 PolarHBondContact O-N 3.48Å; L54-Q57 PolarHBondContact O-N 3.3Å; L54-Q57 VanDerWaalsContact O-N 3.08Å; Q57-L85 HydrophobicContact CB-CD1 3.75Å; Q57-L85 HydrophobicContact CG-CD1 3.86Å
58	T	86.8	Confident	84.5	Confident	10 Å²	10	62.4 Å²	62.4	6%	0.061	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	110.6	167.9	-52.1	0	0	0	0	108	V60 V65 V86 K88	T58-V60 HydrophobicContact CG2-CG2 4.37Å; T58-V65 HydrophobicContact CG2-CG1 3.69Å; T58-V65 HydrophobicContact CG2-CG2 4.25Å; T58-V86 WeakPolarHBondContact CB-O 3.41Å; T58-V86 PolarHBondContact N-O 3.25Å; T58-V86 PolarHBondContact O-N 3.44Å; T58-K88 VanDerWaalsContact OG1-CE 3.23Å; T58-K88 WeakPolarHBondContact OG1-CE 3.32Å
59	L	89.6	Confident	84.5	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	133	178.1	-59	-175.5	0	0	0	109.3	I39 L42 K43 I46 V65 L66 V83 L84 L85	I39-L59 HydrophobicContact CG2-CD1 4.07Å; L42-L59 HydrophobicContact CD2-CD1 3.83Å; L42-L59 HydrophobicContact CG-CD1 4.08Å; K43-L59 HydrophobicContact CG-CD1 3.69Å; K43-L59 HydrophobicContact CG-CG 4.12Å; I46-L59 HydrophobicContact CD1-CD1 3.99Å; I46-L59 HydrophobicContact CD1-CD2 3.48Å; I46-L59 VanDerWaalsContact CD1-CD2 3.48Å; I46-L59 HydrophobicContact CD1-CG 4.38Å; L59-V65 WeakPolarHBondContact O-CA 3.49Å; L59-L66 HydrophobicContact CB-CB 4.21Å; L59-L66 HydrophobicContact CB-CD1 4.07Å; L59-L66 HydrophobicContact CB-CG 4.32Å; L59-L66 PolarHBondContact O-N 3.43Å; L59-V83 HydrophobicContact CB-CG1 3.83Å; L59-V83 HydrophobicContact CD2-CG1 4.31Å; L59-V83 HydrophobicContact CG-CG1 4.46Å; L59-L84 WeakPolarHBondContact CA-O 3.4Å; L59-L85 HydrophobicContact CD2-CB 4.22Å; L59-L85 HydrophobicContact CD2-CD1 3.68Å
60	V	85.4	Confident	84.5	Confident	7 Å²	7	56.2 Å²	56.2	4%	0.042	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	126.3	-177.9	-174.8	0	0	0	0	109.7	T58 E64 V65 L84 V86 M119	T58-V60 HydrophobicContact CG2-CG2 4.37Å; V60-E64 VanDerWaalsContact CA-O 3.28Å; V60-E64 WeakPolarHBondContact CA-O 3.35Å; V60-V65 HydrophobicContact CG2-CG2 4.33Å; V60-L84 HydrophobicContact CB-CB 4.37Å; V60-L84 PolarHBondContact N-O 2.95Å; V60-L84 PolarHBondContact O-N 3.49Å; V60-V86 HydrophobicContact CG2-CG2 4.28Å; V60-M119 HydrophobicContact CG1-CE 4.44Å
61	H	85.6	Confident	84.8	Confident	13 Å²	13	54.6 Å²	54.6	6%	0.06	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	137.9	174.6	-178.3	-119	0	0	0	109.2	N63 E64 L66 L77 D81 T82 V83	H61-N63 PolarHBondContact O-N 3.36Å; H61-E64 PolarHBondContact N-O 3.48Å; H61-E64 WeakPolarHBondContact O-CA 3.32Å; H61-E64 WeakPolarHBondContact O-CB 3.45Å; H61-E64 PolarHBondContact O-N 2.85Å; H61-L66 HydrophobicContact CB-CD1 4.23Å; H61-L66 HydrophobicContact CB-CD2 4.06Å; H61-L66 HydrophobicContact CB-CG 4.35Å; H61-L77 HydrophobicContact CB-CD2 3.89Å; H61-L77 VanDerWaalsContact CG-CD2 3.41Å; H61-L77 WeakPolarHBondContact ND1-CD2 3.48Å; H61-D81 IonicContact CE1-OD2 3.41Å; H61-D81 PolarHBondContact CE1-OD2 3.44Å; H61-D81 IonicContact NE2-OD2 3.47Å; H61-D81 PolarHBondContact NE2-OD2 3.08Å; H61-T82 PolarHBondContact CD2-O 3.43Å; H61-V83 HydrophobicContact CB-CG2 4.49Å
62	N	81.2	Confident	85.1	Confident	121 Å²	121	49.7 Å²	49.7	65%	0.647	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	38.7	-179.8	-68.5	-19.8	0	0	0	115	E64	N62-E64 PolarHBondContact O-N 3.42Å
63	N	68.9	Low	85.3	Confident	63 Å²	63	52 Å²	52	34%	0.337	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	16.8	-176.7	-55.2	20.4	0	0	0	114.5	H61 M119	H61-N63 PolarHBondContact O-N 3.36Å; N63-M119 HydrophobicContact CB-CB 4.45Å; N63-M119 HydrophobicContact CB-CE 4.35Å; N63-M119 WeakPolarHBondContact OD1-CE 3.46Å
64	E	79	Confident	85.4	Confident	93 Å²	93	56 Å²	56	44%	0.435	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	135.5	175.1	-46.3	-152.3	141.8	0	0	110.1	V60 H61 N62 K123	V60-E64 VanDerWaalsContact CA-O 3.28Å; V60-E64 WeakPolarHBondContact CA-O 3.35Å; H61-E64 PolarHBondContact N-O 3.48Å; H61-E64 WeakPolarHBondContact O-CA 3.32Å; H61-E64 WeakPolarHBondContact O-CB 3.45Å; H61-E64 PolarHBondContact O-N 2.85Å; N62-E64 PolarHBondContact O-N 3.42Å; E64-K123 WeakPolarHBondContact OE1-CE 3.27Å; E64-K123 IonicContact OE1-NZ 3.32Å; E64-K123 PolarHBondContact OE1-NZ 3.11Å
65	V	85.8	Confident	85.4	Confident	77 Å²	77	54.8 Å²	54.8	47%	0.467	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	123.5	169.5	177.8	0	0	0	0	107.2	T58 L59 V60 C67 V116	T58-V65 HydrophobicContact CG2-CG1 3.69Å; T58-V65 HydrophobicContact CG2-CG2 4.25Å; L59-V65 WeakPolarHBondContact O-CA 3.49Å; V60-V65 HydrophobicContact CG2-CG2 4.33Å; V65-C67 PolarHBondContact O-N 2.86Å; V65-V116 HydrophobicContact CG2-CG1 4.31Å
66	L	88.1	Confident	85.6	Confident	8 Å²	8	47.9 Å²	47.9	4%	0.042	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-74.6	126.3	-179.7	-55.6	-175.4	0	0	0	109.9	I39 L59 H61 C75 L77 V83	I39-L66 HydrophobicContact CD1-CB 4.41Å; I39-L66 HydrophobicContact CD1-CD1 3.94Å; I39-L66 HydrophobicContact CG1-CB 4.25Å; I39-L66 HydrophobicContact CG2-CB 3.96Å; L59-L66 HydrophobicContact CB-CB 4.21Å; L59-L66 HydrophobicContact CB-CD1 4.07Å; L59-L66 HydrophobicContact CB-CG 4.32Å; L59-L66 PolarHBondContact O-N 3.43Å; H61-L66 HydrophobicContact CB-CD1 4.23Å; H61-L66 HydrophobicContact CB-CD2 4.06Å; H61-L66 HydrophobicContact CB-CG 4.35Å; L66-C75 HydrophobicContact CD2-CB 3.8Å; L66-L77 HydrophobicContact CD1-CD1 3.97Å; L66-V83 HydrophobicContact CD1-CG1 4.14Å
67	C	87.6	Confident	86.1	Confident	78 Å²	78	47.3 Å²	47.3	53%	0.527	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-80.8	144.6	176.4	-67.7	0	0	0	0	110.6	I39 V65 D69 C70	I39-C67 VanDerWaalsContact CB-O 3.32Å; I39-C67 WeakPolarHBondContact CB-O 3.43Å; I39-C67 WeakPolarHBondContact CG1-O 3.43Å; V65-C67 PolarHBondContact O-N 2.86Å; C67-D69 VanDerWaalsContact C-N 3.27Å; C67-D69 PolarHBondContact O-N 2.98Å; C67-C70 PolarHBondContact O-N 3.46Å
68	D	88.4	Confident	86.2	Confident	64 Å²	64	52 Å²	52	34%	0.342	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-34.6	-177.1	-75.3	-27.4	0	0	0	113.2	V40 K43 C70	V40-D68 HydrophobicContact CG2-CB 3.48Å; V40-D68 VanDerWaalsContact CG2-CB 3.48Å; V40-D68 WeakPolarHBondContact CG2-O 3.49Å; K43-D68 VanDerWaalsContact CD-OD1 3.25Å; K43-D68 WeakPolarHBondContact CD-OD1 3.08Å; K43-D68 WeakPolarHBondContact CE-OD1 3.15Å; K43-D68 IonicContact NZ-OD1 2.63Å; K43-D68 PolarHBondContact NZ-OD1 3.41Å; K43-D68 IonicContact NZ-OD2 2.63Å; K43-D68 PolarHBondContact NZ-OD2 2.98Å; D68-C70 PolarHBondContact O-N 2.9Å
69	D	87.5	Confident	86.4	Confident	132 Å²	132	56.3 Å²	56.3	71%	0.706	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-7.8	-175.4	-64.7	-45.8	0	0	0	114.7	C67	C67-D69 VanDerWaalsContact C-N 3.27Å; C67-D69 PolarHBondContact O-N 2.98Å
70	C	87.7	Confident	86.4	Confident	44 Å²	44	57.9 Å²	57.9	30%	0.297	34%	0.339	S	S	.	.	S	Bend	trans	-82.2	150.9	179.7	-64.7	0	0	0	0	111.7	K38 I39 C67 D68 D74 C75	K38-C70 WeakPolarHBondContact CA-O 3.37Å; I39-C70 HydrophobicContact CG1-CB 4.43Å; I39-C70 WeakPolarHBondContact CG1-O 3.23Å; I39-C70 PolarHBondContact N-O 3.27Å; C67-C70 PolarHBondContact O-N 3.46Å; D68-C70 PolarHBondContact O-N 2.9Å; C70-D74 HydrophobicContact CB-CB 4.46Å; C70-C75 WeakPolarHBondContact CB-SG 3.27Å
71	T	90.2	Very high	86.7	Confident	26 Å²	26	59.4 Å²	59.4	16%	0.16	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-80.6	161.9	168.3	64.6	0	0	0	0	111	A37 T73 D74 C75	A37-T71 CarbonylContact O-C 3.6Å; A37-T71 VanDerWaalsContact O-CA 3.28Å; A37-T71 WeakPolarHBondContact O-CA 3.41Å; T71-T73 PolarHBondContact O-N 2.92Å; T71-T73 PolarHBondContact OG1-OG1 3.02Å; T71-D74 PolarHBondContact O-N 3.43Å; T71-D74 VanDerWaalsContact OG1-CB 3.26Å; T71-D74 WeakPolarHBondContact OG1-CB 3.45Å; T71-D74 PolarHBondContact OG1-N 3.12Å; T71-D74 PolarHBondContact OG1-OD1 3.25Å; T71-D74 PolarHBondContact OG1-OD2 3.11Å; T71-D74 VanDerWaalsContact OG1-OD2 3.12Å; T71-C75 PolarHBondContact O-N 3.23Å; T71-C75 PolarHBondContact O-SG 3.08Å
72	V	90.4	Very high	86.9	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-43.2	175.4	174.3	0	0	0	0	110.7	L17 L19 V33 A37 I39 C75 L77	L17-V72 HydrophobicContact CD1-CG1 3.77Å; L19-V72 HydrophobicContact CD1-CG1 4.27Å; V33-V72 HydrophobicContact CG1-CG2 4.01Å; A37-V72 WeakPolarHBondContact O-CG2 3.47Å; A37-V72 PolarHBondContact O-N 3.37Å; I39-V72 HydrophobicContact CD1-CG2 4.43Å; V72-C75 PolarHBondContact O-N 3.07Å; V72-L77 HydrophobicContact CB-CD1 4.48Å; V72-L77 HydrophobicContact CG1-CB 3.61Å; V72-L77 HydrophobicContact CG1-CD1 3.95Å; V72-L77 HydrophobicContact CG1-CG 4.41Å; V72-L77 WeakPolarHBondContact O-CB 3.34Å; V72-L77 PolarHBondContact O-N 3.09Å
73	T	87.3	Confident	87.4	Confident	66 Å²	66	56 Å²	56	41%	0.405	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-43.7	175.1	40.4	0	0	0	0	113.4	S35 T71 C75 G76	S35-T73 VanDerWaalsContact O-CG2 3.31Å; S35-T73 WeakPolarHBondContact O-CG2 3.34Å; S35-T73 PolarHBondContact O-N 3.5Å; S35-T73 PolarHBondContact O-OG1 2.9Å; S35-T73 VanDerWaalsContact O-OG1 3.04Å; T71-T73 PolarHBondContact O-N 2.92Å; T71-T73 PolarHBondContact OG1-OG1 3.02Å; T73-C75 PolarHBondContact O-N 3.37Å; T73-G76 PolarHBondContact O-N 3.29Å
74	D	88.2	Confident	88.3	Confident	126 Å²	126	54.8 Å²	54.8	67%	0.674	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-28.7	178.2	-70.8	-16.9	0	0	0	112.2	C70 T71 G76	C70-D74 HydrophobicContact CB-CB 4.46Å; T71-D74 PolarHBondContact O-N 3.43Å; T71-D74 VanDerWaalsContact OG1-CB 3.26Å; T71-D74 WeakPolarHBondContact OG1-CB 3.45Å; T71-D74 PolarHBondContact OG1-N 3.12Å; T71-D74 PolarHBondContact OG1-OD1 3.25Å; T71-D74 PolarHBondContact OG1-OD2 3.11Å; T71-D74 VanDerWaalsContact OG1-OD2 3.12Å; D74-G76 VanDerWaalsContact C-N 3.27Å; D74-G76 PolarHBondContact O-N 3.27Å
75	C	86	Confident	88.7	Confident	22 Å²	22	50.4 Å²	50.4	15%	0.149	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-2	175.1	-72.2	0	0	0	0	114.2	I39 L66 C70 T71 V72 T73 L77	I39-C75 HydrophobicContact CD1-CB 4.3Å; L66-C75 HydrophobicContact CD2-CB 3.8Å; C70-C75 WeakPolarHBondContact CB-SG 3.27Å; T71-C75 PolarHBondContact O-N 3.23Å; T71-C75 PolarHBondContact O-SG 3.08Å; V72-C75 PolarHBondContact O-N 3.07Å; T73-C75 PolarHBondContact O-N 3.37Å; C75-L77 VanDerWaalsContact C-N 3.33Å; C75-L77 HydrophobicContact CB-CD1 4.28Å; C75-L77 HydrophobicContact CB-CG 4.21Å; C75-L77 PolarHBondContact O-N 2.88Å
76	G	86.4	Confident	88.5	Confident	37 Å²	37	46.9 Å²	46.9	38%	0.381	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	30.1	-178.1	0	0	0	0	0	113.9	T73 D74	T73-G76 PolarHBondContact O-N 3.29Å; D74-G76 VanDerWaalsContact C-N 3.27Å; D74-G76 PolarHBondContact O-N 3.27Å
77	L	90.3	Very high	87.9	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.016	29%	0.287	C	S	.	.			trans	-86.9	131.6	173.7	-65.3	169.4	0	0	0	110.3	L19 I39 H61 L66 V72 C75 D81 V83	L19-L77 HydrophobicContact CD1-CD1 4.19Å; L19-L77 HydrophobicContact CD2-CB 4.23Å; I39-L77 HydrophobicContact CD1-CD1 3.87Å; H61-L77 HydrophobicContact CB-CD2 3.89Å; H61-L77 VanDerWaalsContact CG-CD2 3.41Å; H61-L77 WeakPolarHBondContact ND1-CD2 3.48Å; L66-L77 HydrophobicContact CD1-CD1 3.97Å; V72-L77 HydrophobicContact CB-CD1 4.48Å; V72-L77 HydrophobicContact CG1-CB 3.61Å; V72-L77 HydrophobicContact CG1-CD1 3.95Å; V72-L77 HydrophobicContact CG1-CG 4.41Å; V72-L77 WeakPolarHBondContact O-CB 3.34Å; V72-L77 PolarHBondContact O-N 3.09Å; C75-L77 VanDerWaalsContact C-N 3.33Å; C75-L77 HydrophobicContact CB-CD1 4.28Å; C75-L77 HydrophobicContact CB-CG 4.21Å; C75-L77 PolarHBondContact O-N 2.88Å; L77-D81 WeakPolarHBondContact CA-OD2 3.25Å; L77-D81 HydrophobicContact CD2-CB 4.43Å; L77-V83 HydrophobicContact CD1-CG2 4.49Å; L77-V83 HydrophobicContact CD2-CG2 3.57Å
78	N	89.4	Confident	86.7	Confident	101 Å²	101	48 Å²	48	54%	0.54	28%	0.281	S	S	.	.			trans	-114.9	170.1	178.4	-56.2	-69.4	0	0	0	111.9	L19 G80 D81	L19-N78 WeakPolarHBondContact CD2-O 3.44Å; N78-G80 PolarHBondContact O-N 2.88Å; N78-D81 PolarHBondContact N-OD2 3.16Å; N78-D81 PolarHBondContact ND2-OD2 2.97Å; N78-D81 WeakPolarHBondContact O-CB 3.21Å; N78-D81 PolarHBondContact O-N 2.84Å; N78-D81 VanDerWaalsContact O-N 3.14Å
79	D	90.6	Very high	85.1	Confident	100 Å²	100	47.1 Å²	47.1	54%	0.535	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	126.1	172.6	-170.4	52.5	0	0	0	110.9	L17 T18	L17-D79 HydrophobicContact CD2-CB 4.06Å; T18-D79 WeakPolarHBondContact CA-OD1 3.05Å; T18-D79 WeakPolarHBondContact CB-OD1 3.49Å; T18-D79 PolarHBondContact N-OD1 2.99Å; T18-D79 PolarHBondContact OG1-OD1 3.47Å
80	G	90.8	Very high	83	Confident	35 Å²	35	45.7 Å²	45.7	36%	0.361	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	-2.1	-176.3	0	0	0	0	0	115.6	T18 H20 N78	T18-G80 WeakPolarHBondContact O-CA 3.29Å; T18-G80 PolarHBondContact O-N 3.18Å; H20-G80 PolarHBondContact CD2-O 3.45Å; N78-G80 PolarHBondContact O-N 2.88Å
81	D	92.1	Very high	80.7	Confident	38 Å²	38	47.8 Å²	47.8	20%	0.203	28%	0.275	C	S	.	.			trans	-67	150.3	-177.5	-83.9	-7.5	0	0	0	113.1	L19 H20 H61 L77 N78	L19-D81 HydrophobicContact CD2-CB 4.17Å; H20-D81 PolarHBondContact N-O 2.91Å; H61-D81 IonicContact CE1-OD2 3.41Å; H61-D81 PolarHBondContact CE1-OD2 3.44Å; H61-D81 IonicContact NE2-OD2 3.47Å; H61-D81 PolarHBondContact NE2-OD2 3.08Å; L77-D81 WeakPolarHBondContact CA-OD2 3.25Å; L77-D81 HydrophobicContact CD2-CB 4.43Å; N78-D81 PolarHBondContact N-OD2 3.16Å; N78-D81 PolarHBondContact ND2-OD2 2.97Å; N78-D81 WeakPolarHBondContact O-CB 3.21Å; N78-D81 PolarHBondContact O-N 2.84Å; N78-D81 VanDerWaalsContact O-N 3.14Å
82	T	89.1	Confident	78.3	Confident	62 Å²	62	52.9 Å²	52.9	38%	0.38	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	116.6	-178	-60.2	0	0	0	0	111.8	H20 I22 H61	H20-T82 CarbonylContact O-C 3.57Å; H20-T82 VanDerWaalsContact O-CA 3.24Å; H20-T82 WeakPolarHBondContact O-CA 3.35Å; I22-T82 HydrophobicContact CD1-CG2 3.42Å; I22-T82 VanDerWaalsContact CD1-CG2 3.42Å; I22-T82 HydrophobicContact CG1-CG2 3.79Å; H61-T82 PolarHBondContact CD2-O 3.43Å
83	V	91.1	Very high	75.8	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	129.5	178.2	-176.6	0	0	0	0	109.9	H20 I21 I22 L59 H61 L66 L77	H20-V83 PolarHBondContact O-N 2.63Å; I21-V83 CarbonylContact C-O 3.53Å; I21-V83 WeakPolarHBondContact CA-O 3.41Å; I21-V83 HydrophobicContact CD1-CB 3.75Å; I21-V83 HydrophobicContact CD1-CG1 4.43Å; I21-V83 HydrophobicContact CD1-CG2 4.24Å; I22-V83 PolarHBondContact N-O 3.16Å; L59-V83 HydrophobicContact CB-CG1 3.83Å; L59-V83 HydrophobicContact CD2-CG1 4.31Å; L59-V83 HydrophobicContact CG-CG1 4.46Å; H61-V83 HydrophobicContact CB-CG2 4.49Å; L66-V83 HydrophobicContact CD1-CG1 4.14Å; L77-V83 HydrophobicContact CD1-CG2 4.49Å; L77-V83 HydrophobicContact CD2-CG2 3.57Å
84	L	87.3	Confident	73	Confident	39 Å²	39	64.5 Å²	64.5	20%	0.204	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	124.6	175.6	-172.1	79.7	0	0	0	110.4	I22 L59 V60 V86 F115	I22-L84 HydrophobicContact CB-CD1 4.45Å; I22-L84 HydrophobicContact CG2-CD1 4.32Å; I22-L84 CarbonylContact O-C 3.47Å; I22-L84 WeakPolarHBondContact O-CA 3.23Å; I22-L84 WeakPolarHBondContact O-CD1 3.25Å; L59-L84 WeakPolarHBondContact CA-O 3.4Å; V60-L84 HydrophobicContact CB-CB 4.37Å; V60-L84 PolarHBondContact N-O 2.95Å; V60-L84 PolarHBondContact O-N 3.49Å; L84-V86 HydrophobicContact CD2-CG2 3.92Å; L84-V86 HydrophobicContact CG-CG2 4.33Å; L84-F115 HydrophobicContact CD2-CD1 3.94Å; L84-F115 HydrophobicContact CD2-CE1 3.1Å; L84-F115 HydrophobicContact CD2-CZ 3.56Å
85	L	87.6	Confident	70.4	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	118.4	168.2	173.6	68	0	0	0	110.4	I21 I22 V24 I46 W50 Q57 L59	I21-L85 HydrophobicContact CG2-CB 4Å; I22-L85 PolarHBondContact O-N 2.79Å; V24-L85 PolarHBondContact N-O 2.9Å; I46-L85 HydrophobicContact CG2-CD1 4.33Å; I46-L85 HydrophobicContact CG2-CD2 3.68Å; W50-L85 HydrophobicContact CE3-CD2 3.28Å; W50-L85 HydrophobicContact CZ3-CB 4.08Å; W50-L85 HydrophobicContact CZ3-CD2 3.43Å; W50-L85 VanDerWaalsContact CZ3-CD2 3.43Å; W50-L85 HydrophobicContact CZ3-CG 4.4Å; Q57-L85 HydrophobicContact CB-CD1 3.75Å; Q57-L85 HydrophobicContact CG-CD1 3.86Å; L59-L85 HydrophobicContact CD2-CB 4.22Å; L59-L85 HydrophobicContact CD2-CD1 3.68Å
86	V	81.8	Confident	67.9	Low	3 Å²	3	70.6 Å²	70.6	2%	0.018	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	109.9	168	-176.5	0	0	0	0	108.3	V24 T58 V60 L84 N112 F115 V116	V24-V86 HydrophobicContact CG1-CG2 4.17Å; T58-V86 WeakPolarHBondContact CB-O 3.41Å; T58-V86 PolarHBondContact N-O 3.25Å; T58-V86 PolarHBondContact O-N 3.44Å; V60-V86 HydrophobicContact CG2-CG2 4.28Å; L84-V86 HydrophobicContact CD2-CG2 3.92Å; L84-V86 HydrophobicContact CG-CG2 4.33Å; V86-N112 HydrophobicContact CG1-CB 3.5Å; V86-N112 VanDerWaalsContact CG1-CB 3.5Å; V86-F115 HydrophobicContact CG2-CD1 4.4Å; V86-V116 HydrophobicContact CB-CG2 4.38Å; V86-V116 HydrophobicContact CG1-CG2 4Å; V86-V116 HydrophobicContact CG2-CG2 4.25Å
87	S	75.1	Confident	65.2	Low	19 Å²	19	80.5 Å²	80.5	13%	0.133	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	132.2	177.2	171.3	0	0	0	0	111.4	V52 E56 F89 N112	V52-S87 WeakPolarHBondContact CG1-OG 3.36Å; E56-S87 CarbonylContact O-C 3.51Å; E56-S87 WeakPolarHBondContact O-CA 3.44Å; S87-F89 VanDerWaalsContact C-N 3.33Å; S87-F89 PolarHBondContact O-N 3.37Å; S87-N112 PolarHBondContact O-ND2 2.95Å
88	K	63.3	Low	62.3	Low	91 Å²	91	85.6 Å²	85.6	40%	0.396	45%	0.454	S	S	.	.			trans	-91.3	46.5	174.9	-63.6	172.6	173.8	162.4	0	112.1	E56 T58	E56-K88 HydrophobicContact CB-CB 4.35Å; E56-K88 PolarHBondContact O-N 2.96Å; T58-K88 VanDerWaalsContact OG1-CE 3.23Å; T58-K88 WeakPolarHBondContact OG1-CE 3.32Å
89	F	54.7	Low	59.5	Low	46 Å²	46	84.2 Å²	84.2	20%	0.202	46%	0.463	C	S	.	.			trans	34.2	98.9	164.7	-100	-86.9	0	0	0	117.1	S87 D91 S105 R108	S87-F89 VanDerWaalsContact C-N 3.33Å; S87-F89 PolarHBondContact O-N 3.37Å; F89-D91 VanDerWaalsContact CD1-OD1 3.32Å; F89-D91 WeakPolarHBondContact CD1-OD1 3.4Å; F89-D91 VanDerWaalsContact CE1-OD1 3.3Å; F89-D91 WeakPolarHBondContact CE1-OD1 3.43Å; F89-S105 WeakPolarHBondContact CE1-OG 3.31Å; F89-R108 HydrophobicContact CD2-CB 4.22Å; F89-R108 HydrophobicContact CE2-CB 3.4Å; F89-R108 HydrophobicContact CE2-CG 4.26Å; F89-R108 HydrophobicContact CZ-CB 4Å
90	N	43.7	Very low	56.9	Low	102 Å²	102	85 Å²	85	55%	0.545	48%	0.477	S	S	.	.			trans	-98.6	110.5	138.1	-85.3	-25.5	0	0	0	109.3	E56 N92	E56-N90 VanDerWaalsContact CD-N 3.3Å; E56-N90 WeakPolarHBondContact OE1-CB 2.97Å; E56-N90 PolarHBondContact OE1-ND2 3.34Å; E56-N90 PolarHBondContact OE2-N 2.95Å; N90-N92 PolarHBondContact O-N 3.2Å
91	D	39.8	Very low	54.3	Low	88 Å²	88	88.6 Å²	88.6	47%	0.471	49%	0.494	S	S	.	.			trans	-65.6	78	162.7	-69.8	-55.3	0	0	0	109.9	F89 F93 S105	F89-D91 VanDerWaalsContact CD1-OD1 3.32Å; F89-D91 WeakPolarHBondContact CD1-OD1 3.4Å; F89-D91 VanDerWaalsContact CE1-OD1 3.3Å; F89-D91 WeakPolarHBondContact CE1-OD1 3.43Å; D91-F93 VanDerWaalsContact C-N 3.27Å; D91-S105 VanDerWaalsContact CG-OG 3.27Å; D91-S105 WeakPolarHBondContact OD1-CB 3.47Å; D91-S105 PolarHBondContact OD1-OG 3.07Å; D91-S105 WeakPolarHBondContact OD2-CB 3.31Å; D91-S105 PolarHBondContact OD2-OG 3Å
92	N	39.3	Very low	51.9	Low	132 Å²	132	92.7 Å²	92.7	71%	0.706	52%	0.515	S	S	*	.			trans	-92.7	21.6	165.4	-79.4	-6.7	0	0	0	112.3	N90 T94	N90-N92 PolarHBondContact O-N 3.2Å; N92-T94 PolarHBondContact O-N 2.93Å
93	F	37.1	Very low	49.9	Very low	203 Å²	203	93.7 Å²	93.7	89%	0.89	52%	0.518	S	S	*	.			trans	-76.1	81	163.2	-132.3	-87.3	0	0	0	109.2	D91	D91-F93 VanDerWaalsContact C-N 3.27Å
94	T	29.9	Very low	47.7	Very low	107 Å²	107	96.2 Å²	96.2	66%	0.656	54%	0.539	S	S	*	.			trans	-42.1	138.7	157.5	44.8	0	0	0	0	110.3	N92	N92-T94 PolarHBondContact O-N 2.93Å
95	T	33.9	Very low	45.8	Very low	106 Å²	106	95.2 Å²	95.2	65%	0.65	54%	0.535	S	S	*	.			trans	108.5	100.9	147.6	-39.7	0	0	0	0	116.8
96	Q	33.5	Very low	43.9	Very low	171 Å²	171	98.3 Å²	98.3	80%	0.799	55%	0.551	S	S	*	*			trans	69.9	89.4	140.4	-63.2	174.7	35	0	0	119.6
97	R	28.8	Very low	42.4	Very low	244 Å²	244	102 Å²	102	92%	0.921	57%	0.57	S	S	*	*				174.1	132	101.1	-97.3	-178.3	-175.2	179.6	3	109.8	G99	R97-G99 PolarHBondContact O-N 3.45Å
98	A	28.5	Very low	41.3	Very low	111 Å²	111	107 Å²	107	92%	0.917	59%	0.586	S	S	*	*			trans	-61.2	127.9	172.1	0	0	0	0	0	110.9
99	G	30.8	Very low	40.7	Very low	72 Å²	72	108.3 Å²	108.3	74%	0.742	59%	0.588	S	S	*	*			trans	106.5	81.6	158	0	0	0	0	0	116.1	R97	R97-G99 PolarHBondContact O-N 3.45Å
100	S	36.7	Very low	40.5	Very low	116 Å²	116	107.7 Å²	107.7	81%	0.811	59%	0.587	S	S	*	*			trans	164.9	176.9	137.2	56.4	0	0	0	0	109.8
101	P	37.2	Very low	41.1	Very low	111 Å²	111	107.5 Å²	107.5	72%	0.721	58%	0.583	S	S	*	*	S	Bend		-89.8	135.8	-96	33.4	-18.6	0	0	0	112.7	D103	P101-D103 PolarHBondContact O-N 3.49Å; P101-D103 VanDerWaalsContact O-N 3.07Å
102	L	40.7	Very low	41.8	Very low	123 Å²	123	104 Å²	104	64%	0.644	56%	0.564	S	S	*	*	S	Bend	trans	49.3	48.5	152.2	-133.9	138.2	0	0	0	116	A104	L102-A104 PolarHBondContact O-N 3.47Å
103	D	47.8	Very low	42.5	Very low	84 Å²	84	102.4 Å²	102.4	45%	0.449	55%	0.553	S	S	.	*			trans	29.4	84.2	158.6	-138.5	-2	0	0	0	114.1	P101 S105 L106 L107	P101-D103 PolarHBondContact O-N 3.49Å; P101-D103 VanDerWaalsContact O-N 3.07Å; D103-S105 PolarHBondContact O-N 2.87Å; D103-L106 HydrophobicContact CB-CB 4.15Å; D103-L106 HydrophobicContact CB-CD1 3.85Å; D103-L106 HydrophobicContact CB-CG 3.88Å; D103-L106 WeakPolarHBondContact O-CA 3.33Å; D103-L106 WeakPolarHBondContact O-CB 3.4Å; D103-L106 PolarHBondContact O-N 2.83Å; D103-L107 PolarHBondContact O-N 3.31Å
104	A	45.1	Very low	43.4	Very low	53 Å²	53	94.2 Å²	94.2	44%	0.438	52%	0.518	S	S	.	.	H	α-helix	trans	-50.9	-25.7	176.3	0	0	0	0	0	112.1	L102 L107 R108	L102-A104 PolarHBondContact O-N 3.47Å; A104-L107 PolarHBondContact O-N 3.42Å; A104-R108 WeakPolarHBondContact O-CG 3.23Å; A104-R108 PolarHBondContact O-N 2.91Å
105	S	47.2	Very low	44.6	Very low	17 Å²	17	92.1 Å²	92.1	12%	0.119	50%	0.5	C	S	.	.	H	α-helix	trans	-63.7	-40.2	171.9	-52	0	0	0	0	113.4	F89 D91 D103 R109	F89-S105 WeakPolarHBondContact CE1-OG 3.31Å; D91-S105 VanDerWaalsContact CG-OG 3.27Å; D91-S105 WeakPolarHBondContact OD1-CB 3.47Å; D91-S105 PolarHBondContact OD1-OG 3.07Å; D91-S105 WeakPolarHBondContact OD2-CB 3.31Å; D91-S105 PolarHBondContact OD2-OG 3Å; D103-S105 PolarHBondContact O-N 2.87Å; S105-R109 VanDerWaalsContact O-CB 3.25Å; S105-R109 WeakPolarHBondContact O-CB 3.23Å; S105-R109 PolarHBondContact O-N 3.02Å
106	L	46.5	Very low	45.6	Very low	66 Å²	66	88.8 Å²	88.8	35%	0.346	48%	0.479	S	S	.	.	H	α-helix	trans	-69.1	-36.6	173.8	-72.7	176.5	0	0	0	112.5	D103 R109 L110	D103-L106 HydrophobicContact CB-CB 4.15Å; D103-L106 HydrophobicContact CB-CD1 3.85Å; D103-L106 HydrophobicContact CB-CG 3.88Å; D103-L106 WeakPolarHBondContact O-CA 3.33Å; D103-L106 WeakPolarHBondContact O-CB 3.4Å; D103-L106 PolarHBondContact O-N 2.83Å; L106-R109 PolarHBondContact O-N 3.27Å; L106-L110 WeakPolarHBondContact O-CB 3.29Å; L106-L110 WeakPolarHBondContact O-CG 3.44Å; L106-L110 PolarHBondContact O-N 2.88Å
107	L	51	Low	46.4	Very low	79 Å²	79	82.3 Å²	82.3	41%	0.414	46%	0.455	S	S	.	.	H	α-helix	trans	-67.3	-45.9	177.8	-166.7	69.5	0	0	0	110.4	D103 A104 R109 L110 E111	D103-L107 PolarHBondContact O-N 3.31Å; A104-L107 PolarHBondContact O-N 3.42Å; L107-R109 VanDerWaalsContact C-N 3.34Å; L107-R109 PolarHBondContact O-N 3.35Å; L107-L110 WeakPolarHBondContact O-CB 3.5Å; L107-L110 PolarHBondContact O-N 3.48Å; L107-E111 VanDerWaalsContact O-CG 3.32Å; L107-E111 WeakPolarHBondContact O-CG 3.3Å; L107-E111 PolarHBondContact O-N 2.89Å
108	R	51.6	Low	47.4	Very low	125 Å²	125	72 Å²	72	47%	0.472	42%	0.418	S	S	.	.	H	α-helix	trans	-63.8	-37.6	174.4	-74.9	-173.9	-105.9	-114.4	4.8	113	F89 A104 E111 N112	F89-R108 HydrophobicContact CD2-CB 4.22Å; F89-R108 HydrophobicContact CE2-CB 3.4Å; F89-R108 HydrophobicContact CE2-CG 4.26Å; F89-R108 HydrophobicContact CZ-CB 4Å; A104-R108 WeakPolarHBondContact O-CG 3.23Å; A104-R108 PolarHBondContact O-N 2.91Å; R108-E111 PolarHBondContact O-N 3.43Å; R108-N112 WeakPolarHBondContact O-CB 3.46Å; R108-N112 VanDerWaalsContact O-CG 3.24Å; R108-N112 PolarHBondContact O-N 2.81Å; R108-N112 PolarHBondContact O-OD1 3.24Å
109	R	50.9	Low	48.5	Very low	118 Å²	118	68.2 Å²	68.2	45%	0.445	38%	0.381	S	S	.	.	H	α-helix	trans	-63.5	-42.1	173.5	-170.7	172.2	-175.6	155.4	4.3	111.8	S105 L106 L107 E113	S105-R109 VanDerWaalsContact O-CB 3.25Å; S105-R109 WeakPolarHBondContact O-CB 3.23Å; S105-R109 PolarHBondContact O-N 3.02Å; L106-R109 PolarHBondContact O-N 3.27Å; L107-R109 VanDerWaalsContact C-N 3.34Å; L107-R109 PolarHBondContact O-N 3.35Å; R109-E113 WeakPolarHBondContact O-CB 3.12Å; R109-E113 VanDerWaalsContact O-CG 3.25Å; R109-E113 WeakPolarHBondContact O-CG 3.34Å; R109-E113 PolarHBondContact O-N 2.81Å
110	L	50.7	Low	49.4	Very low	33 Å²	33	67.4 Å²	67.4	17%	0.173	37%	0.368	C	S	.	.	H	α-helix	trans	-61.2	-49.8	172.1	-85.2	157.4	0	0	0	110.4	L106 L107 N112 E113 I114 Q166 V170	L106-L110 WeakPolarHBondContact O-CB 3.29Å; L106-L110 WeakPolarHBondContact O-CG 3.44Å; L106-L110 PolarHBondContact O-N 2.88Å; L107-L110 WeakPolarHBondContact O-CB 3.5Å; L107-L110 PolarHBondContact O-N 3.48Å; L110-N112 VanDerWaalsContact C-N 3.3Å; L110-N112 PolarHBondContact O-N 2.97Å; L110-E113 PolarHBondContact O-N 3.46Å; L110-I114 HydrophobicContact CB-CD1 4.22Å; L110-I114 VanDerWaalsContact O-CB 3.31Å; L110-I114 WeakPolarHBondContact O-CB 3.28Å; L110-I114 WeakPolarHBondContact O-CD1 3.18Å; L110-I114 WeakPolarHBondContact O-CG1 3.49Å; L110-I114 PolarHBondContact O-N 2.81Å; L110-Q166 HydrophobicContact CD2-CB 4.22Å; L110-V170 HydrophobicContact CD1-CG2 4.4Å
111	E	57	Low	49.8	Very low	98 Å²	98	65.9 Å²	65.9	46%	0.458	35%	0.348	S	S	.	.	H	α-helix	trans	-55.3	-44.3	178.4	-73.5	165.7	176.7	0	0	111.8	L107 R108 I114 F115	L107-E111 VanDerWaalsContact O-CG 3.32Å; L107-E111 WeakPolarHBondContact O-CG 3.3Å; L107-E111 PolarHBondContact O-N 2.89Å; R108-E111 PolarHBondContact O-N 3.43Å; E111-I114 PolarHBondContact O-N 2.92Å; E111-F115 VanDerWaalsContact O-CB 3.23Å; E111-F115 WeakPolarHBondContact O-CB 3.18Å; E111-F115 PolarHBondContact O-N 3.44Å
112	N	54.2	Low	50.1	Low	14 Å²	14	62.3 Å²	62.3	8%	0.075	33%	0.332	C	S	.	.	H	α-helix	trans	-65	-46.5	177.4	-75.1	-0.9	0	0	0	112.4	V86 S87 R108 L110 I114 F115 V116	V86-N112 HydrophobicContact CG1-CB 3.5Å; V86-N112 VanDerWaalsContact CG1-CB 3.5Å; S87-N112 PolarHBondContact O-ND2 2.95Å; R108-N112 WeakPolarHBondContact O-CB 3.46Å; R108-N112 VanDerWaalsContact O-CG 3.24Å; R108-N112 PolarHBondContact O-N 2.81Å; R108-N112 PolarHBondContact O-OD1 3.24Å; L110-N112 VanDerWaalsContact C-N 3.3Å; L110-N112 PolarHBondContact O-N 2.97Å; N112-I114 VanDerWaalsContact C-N 3.35Å; N112-F115 PolarHBondContact O-N 3.38Å; N112-V116 VanDerWaalsContact O-CG2 3.31Å; N112-V116 WeakPolarHBondContact O-CG2 3.33Å; N112-V116 PolarHBondContact O-N 3.43Å
113	E	53.5	Low	50.1	Low	100 Å²	100	61.7 Å²	61.7	47%	0.467	32%	0.324	S	S	.	.	H	α-helix	trans	-63.6	-40.6	176.1	-72.6	-75.3	159.7	0	0	111.8	R109 L110 A117	R109-E113 WeakPolarHBondContact O-CB 3.12Å; R109-E113 VanDerWaalsContact O-CG 3.25Å; R109-E113 WeakPolarHBondContact O-CG 3.34Å; R109-E113 PolarHBondContact O-N 2.81Å; L110-E113 PolarHBondContact O-N 3.46Å; E113-A117 VanDerWaalsContact O-CB 3.23Å; E113-A117 WeakPolarHBondContact O-CB 3.37Å; E113-A117 PolarHBondContact O-N 3.19Å
114	I	55.2	Low	49.6	Very low	30 Å²	30	64.6 Å²	64.6	15%	0.154	34%	0.339	C	S	.	.	H	α-helix	trans	-62.7	-45.9	174.5	-69.1	155.1	0	0	0	109.6	L110 E111 N112 A117 M118 L159 L163	L110-I114 HydrophobicContact CB-CD1 4.22Å; L110-I114 VanDerWaalsContact O-CB 3.31Å; L110-I114 WeakPolarHBondContact O-CB 3.28Å; L110-I114 WeakPolarHBondContact O-CD1 3.18Å; L110-I114 WeakPolarHBondContact O-CG1 3.49Å; L110-I114 PolarHBondContact O-N 2.81Å; E111-I114 PolarHBondContact O-N 2.92Å; N112-I114 VanDerWaalsContact C-N 3.35Å; I114-A117 PolarHBondContact O-N 3.32Å; I114-M118 HydrophobicContact CG2-CG 4.25Å; I114-M118 HydrophobicContact CG2-SD 3.82Å; I114-M118 WeakPolarHBondContact O-CB 3.47Å; I114-M118 WeakPolarHBondContact O-CG 3.3Å; I114-M118 PolarHBondContact O-N 2.89Å; I114-L159 HydrophobicContact CG2-CD1 3.99Å; I114-L163 HydrophobicContact CB-CD2 4.35Å; I114-L163 HydrophobicContact CD1-CD2 3.03Å; I114-L163 HydrophobicContact CG1-CD2 3.56Å; I114-L163 HydrophobicContact CG2-CD2 3.87Å
115	F	57	Low	49.2	Very low	64 Å²	64	70.2 Å²	70.2	28%	0.281	36%	0.358	S	S	.	.	H	α-helix	trans	-62.1	-48.5	179.8	-174.6	-87.8	0	0	0	111.5	L84 V86 E111 N112 A117 M118 M119	L84-F115 HydrophobicContact CD2-CD1 3.94Å; L84-F115 HydrophobicContact CD2-CE1 3.1Å; L84-F115 HydrophobicContact CD2-CZ 3.56Å; V86-F115 HydrophobicContact CG2-CD1 4.4Å; E111-F115 VanDerWaalsContact O-CB 3.23Å; E111-F115 WeakPolarHBondContact O-CB 3.18Å; E111-F115 PolarHBondContact O-N 3.44Å; N112-F115 PolarHBondContact O-N 3.38Å; F115-A117 VanDerWaalsContact C-N 3.34Å; F115-A117 PolarHBondContact O-N 3.41Å; F115-M118 HydrophobicContact CD2-CE 4.22Å; F115-M118 WeakPolarHBondContact O-CB 3.33Å; F115-M118 PolarHBondContact O-N 3.4Å; F115-M119 HydrophobicContact CD1-CG 4.04Å; F115-M119 HydrophobicContact CE1-CE 4.37Å; F115-M119 HydrophobicContact CE1-CG 3.61Å; F115-M119 HydrophobicContact CE1-SD 4.24Å; F115-M119 HydrophobicContact CZ-CE 4.27Å; F115-M119 HydrophobicContact CZ-CG 4Å; F115-M119 HydrophobicContact CZ-SD 4.05Å; F115-M119 VanDerWaalsContact O-CG 3.3Å; F115-M119 WeakPolarHBondContact O-CG 3.25Å; F115-M119 PolarHBondContact O-N 2.82Å
116	V	53.3	Low	49	Very low	36 Å²	36	74.3 Å²	74.3	22%	0.218	39%	0.387	C	S	.	.	H	α-helix	trans	-60.1	-44.1	175.6	172.8	0	0	0	0	111	V65 V86 N112 M118 M119 A120	V65-V116 HydrophobicContact CG2-CG1 4.31Å; V86-V116 HydrophobicContact CB-CG2 4.38Å; V86-V116 HydrophobicContact CG1-CG2 4Å; V86-V116 HydrophobicContact CG2-CG2 4.25Å; N112-V116 VanDerWaalsContact O-CG2 3.31Å; N112-V116 WeakPolarHBondContact O-CG2 3.33Å; N112-V116 PolarHBondContact O-N 3.43Å; V116-M118 VanDerWaalsContact C-N 3.35Å; V116-M118 PolarHBondContact O-N 3.33Å; V116-M119 PolarHBondContact O-N 2.99Å; V116-A120 WeakPolarHBondContact O-CB 3.3Å; V116-A120 PolarHBondContact O-N 3.5Å
117	A	51	Low	48.5	Very low	35 Å²	35	81.1 Å²	81.1	29%	0.289	41%	0.414	S	S	.	.	H	α-helix	trans	-63.8	-38.3	176.5	0	0	0	0	0	112.5	E113 I114 F115 A120 M121	E113-A117 VanDerWaalsContact O-CB 3.23Å; E113-A117 WeakPolarHBondContact O-CB 3.37Å; E113-A117 PolarHBondContact O-N 3.19Å; I114-A117 PolarHBondContact O-N 3.32Å; F115-A117 VanDerWaalsContact C-N 3.34Å; F115-A117 PolarHBondContact O-N 3.41Å; A117-A120 PolarHBondContact O-N 3.13Å; A117-M121 WeakPolarHBondContact O-CB 3.5Å; A117-M121 VanDerWaalsContact O-CG 3.29Å; A117-M121 WeakPolarHBondContact O-CG 3.44Å; A117-M121 PolarHBondContact O-N 2.89Å
118	M	50.5	Low	47.7	Very low	28 Å²	28	80.4 Å²	80.4	14%	0.138	43%	0.425	C	S	.	.	H	α-helix	trans	-64.1	-45.7	176	-76.9	-179.9	-9.3	0	0	111.7	I114 F115 V116 A120 M121 G122 Y155 L159	I114-M118 HydrophobicContact CG2-CG 4.25Å; I114-M118 HydrophobicContact CG2-SD 3.82Å; I114-M118 WeakPolarHBondContact O-CB 3.47Å; I114-M118 WeakPolarHBondContact O-CG 3.3Å; I114-M118 PolarHBondContact O-N 2.89Å; F115-M118 HydrophobicContact CD2-CE 4.22Å; F115-M118 WeakPolarHBondContact O-CB 3.33Å; F115-M118 PolarHBondContact O-N 3.4Å; V116-M118 VanDerWaalsContact C-N 3.35Å; V116-M118 PolarHBondContact O-N 3.33Å; M118-A120 VanDerWaalsContact C-N 3.33Å; M118-A120 PolarHBondContact O-N 3.27Å; M118-M121 PolarHBondContact O-N 3.39Å; M118-G122 PolarHBondContact O-N 3.33Å; M118-Y155 HydrophobicContact CB-CE1 3.83Å; M118-Y155 HydrophobicContact CE-CD1 4.17Å; M118-Y155 HydrophobicContact CE-CD2 4.35Å; M118-Y155 HydrophobicContact CE-CE1 3.4Å; M118-Y155 VanDerWaalsContact CE-CE1 3.4Å; M118-Y155 HydrophobicContact CE-CE2 3.61Å; M118-Y155 WeakPolarHBondContact CE-OH 3.44Å; M118-Y155 HydrophobicContact CG-CD1 4.05Å; M118-Y155 HydrophobicContact CG-CE1 3.65Å; M118-Y155 HydrophobicContact SD-CD1 3.51Å; M118-Y155 VanDerWaalsContact SD-CD1 3.51Å; M118-Y155 HydrophobicContact SD-CD2 4.3Å; M118-Y155 HydrophobicContact SD-CE1 3.28Å; M118-Y155 WeakPolarHBondContact SD-CE1 3.49Å; M118-Y155 HydrophobicContact SD-CE2 4.11Å; M118-Y155 HydrophobicContact SD-CG 4.05Å; M118-L159 HydrophobicContact CG-CD1 3.61Å; M118-L159 HydrophobicContact SD-CD1 3.44Å; M118-L159 WeakPolarHBondContact SD-CD1 3.05Å; M118-L159 HydrophobicContact SD-CD2 3.61Å; M118-L159 HydrophobicContact SD-CG 4.18Å
119	M	51.1	Low	47.1	Very low	31 Å²	31	83.4 Å²	83.4	15%	0.153	44%	0.444	C	S	.	.	H	α-helix	trans	-62.9	-41.4	177	-64.4	-64.2	-91.8	0	0	111	V60 N63 F115 V116 G122	V60-M119 HydrophobicContact CG1-CE 4.44Å; N63-M119 HydrophobicContact CB-CB 4.45Å; N63-M119 HydrophobicContact CB-CE 4.35Å; N63-M119 WeakPolarHBondContact OD1-CE 3.46Å; F115-M119 HydrophobicContact CD1-CG 4.04Å; F115-M119 HydrophobicContact CE1-CE 4.37Å; F115-M119 HydrophobicContact CE1-CG 3.61Å; F115-M119 HydrophobicContact CE1-SD 4.24Å; F115-M119 HydrophobicContact CZ-CE 4.27Å; F115-M119 HydrophobicContact CZ-CG 4Å; F115-M119 HydrophobicContact CZ-SD 4.05Å; F115-M119 VanDerWaalsContact O-CG 3.3Å; F115-M119 WeakPolarHBondContact O-CG 3.25Å; F115-M119 PolarHBondContact O-N 2.82Å; V116-M119 PolarHBondContact O-N 2.99Å; M119-G122 PolarHBondContact O-N 3.22Å
120	A	48.7	Very low	46.3	Very low	55 Å²	55	87.7 Å²	87.7	46%	0.455	47%	0.466	S	S	.	.	H	α-helix	trans	-66	-38.8	176.4	0	0	0	0	0	113.2	V116 A117 M118 G122 K123	V116-A120 WeakPolarHBondContact O-CB 3.3Å; V116-A120 PolarHBondContact O-N 3.5Å; A117-A120 PolarHBondContact O-N 3.13Å; M118-A120 VanDerWaalsContact C-N 3.33Å; M118-A120 PolarHBondContact O-N 3.27Å; A120-G122 VanDerWaalsContact C-N 3.26Å; A120-G122 PolarHBondContact O-N 3.33Å; A120-K123 PolarHBondContact O-N 3.31Å
121	M	45.2	Very low	45.8	Very low	83 Å²	83	94.9 Å²	94.9	41%	0.409	50%	0.499	S	S	.	.	H	α-helix	trans	-71	-19	177.7	-70.5	-140.1	-59.7	0	0	113.5	A117 M118 K123 L124	A117-M121 WeakPolarHBondContact O-CB 3.5Å; A117-M121 VanDerWaalsContact O-CG 3.29Å; A117-M121 WeakPolarHBondContact O-CG 3.44Å; A117-M121 PolarHBondContact O-N 2.89Å; M118-M121 PolarHBondContact O-N 3.39Å; M121-K123 PolarHBondContact O-N 2.93Å; M121-K123 VanDerWaalsContact O-N 3.13Å; M121-L124 PolarHBondContact O-N 3.36Å
122	G	43.6	Very low	44.9	Very low	37 Å²	37	97 Å²	97	38%	0.381	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-55	-26.7	169.9	0	0	0	0	0	113.3	M118 M119 A120 L124	M118-G122 PolarHBondContact O-N 3.33Å; M119-G122 PolarHBondContact O-N 3.22Å; A120-G122 VanDerWaalsContact C-N 3.26Å; A120-G122 PolarHBondContact O-N 3.33Å; G122-L124 PolarHBondContact O-N 3.4Å
123	K	40.5	Very low	44.4	Very low	110 Å²	110	103.3 Å²	103.3	48%	0.478	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-77.1	-14.1	176	-72.5	-178.1	170.9	-174.7	0	114.9	E64 A120 M121	E64-K123 WeakPolarHBondContact OE1-CE 3.27Å; E64-K123 IonicContact OE1-NZ 3.32Å; E64-K123 PolarHBondContact OE1-NZ 3.11Å; A120-K123 PolarHBondContact O-N 3.31Å; M121-K123 PolarHBondContact O-N 2.93Å; M121-K123 VanDerWaalsContact O-N 3.13Å
124	L	38.6	Very low	44.2	Very low	145 Å²	145	103.7 Å²	103.7	76%	0.759	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-87.9	-4.2	-178.3	-86.6	160.8	0	0	0	113.9	M121 G122	M121-L124 PolarHBondContact O-N 3.36Å; G122-L124 PolarHBondContact O-N 3.4Å
125	M	36.7	Very low	43.4	Very low	171 Å²	171	108.3 Å²	108.3	84%	0.842	59%	0.593	S	S	*	*	S	Bend	trans	-115.4	4.8	-175.9	-65.7	-92.7	-68	0	0	113.8
126	S	42	Very low	43	Very low	102 Å²	102	110.9 Å²	110.9	71%	0.713	62%	0.619	S	S	*	*	S	Bend	trans	-118.7	15.5	-178.5	-49.8	0	0	0	0	114.1
127	K	37	Very low	42.5	Very low	210 Å²	210	117.3 Å²	117.3	91%	0.913	65%	0.652	S	S	*	*			trans	-113.7	85.3	172.3	-97.7	-179.3	172.8	175.2	0	110.1
128	G	33.7	Very low	42.3	Very low	63 Å²	63	119.1 Å²	119.1	65%	0.649	67%	0.674	S	S	*	*			trans	152	92.5	-179.5	0	0	0	0	0	104.7
129	E	38.3	Very low	42.1	Very low	188 Å²	188	126.8 Å²	126.8	88%	0.879	71%	0.706	S	S	*	*				-141.2	134.8	69.9	-75.1	150.1	162.7	0	0	111.6
130	K	33.8	Very low	41.5	Very low	208 Å²	208	131.9 Å²	131.9	90%	0.904	73%	0.734	S	S	*	*			trans	-79.5	114.1	152.7	-89.4	179.5	169.5	-178.4	0	105.6
131	E	41.6	Very low	41.2	Very low	185 Å²	185	135.8 Å²	135.8	86%	0.864	75%	0.752	S	S	*	*			trans	-137.2	130.6	152	-78.8	-163.8	153.7	0	0	109.4
132	D	38.1	Very low	41.4	Very low	142 Å²	142	136.7 Å²	136.7	76%	0.759	77%	0.767	S	S	*	*			trans	-69.2	147.8	-177.5	-55.7	-62	0	0	0	111.2
133	N	44	Very low	41.2	Very low	146 Å²	146	140.7 Å²	140.7	78%	0.781	79%	0.786	S	S	*	*			trans	149.2	107.3	130.7	-75.3	-48.3	0	0	0	114.5
134	S	48.4	Very low	40.9	Very low	108 Å²	108	141.2 Å²	141.2	76%	0.755	80%	0.804	S	S	*	*			trans	63.5	145.1	140.3	13	0	0	0	0	122.9
135	P	39.4	Very low	41.1	Very low	127 Å²	127	138 Å²	138	83%	0.825	80%	0.798	S	S	*	*			trans	-98.1	148.4	-173	38.4	-28.9	0	0	0	112.5
136	S	48.7	Very low	41.1	Very low	118 Å²	118	136 Å²	136	83%	0.825	80%	0.798	S	S	*	*			trans	-144.9	126.4	159.8	63.8	0	0	0	0	111.1
137	D	42.2	Very low	40.7	Very low	172 Å²	172	137 Å²	137	92%	0.92	80%	0.799	S	S	*	*			trans	-54.3	154	177.2	-67.1	-59.6	0	0	0	114.9
138	G	46.2	Very low	40.3	Very low	72 Å²	72	136 Å²	136	74%	0.742	80%	0.798	S	S	*	*			trans	144.9	95.7	147.6	0	0	0	0	0	117.4
139	K	47.1	Very low	40.3	Very low	190 Å²	190	140.3 Å²	140.3	83%	0.826	81%	0.805	S	S	*	*				84.7	107.8	127.4	-143.3	167.9	-170.7	172	0	119.8
140	D	37.1	Very low	39.9	Very low	138 Å²	138	135 Å²	135	74%	0.738	79%	0.794	S	S	*	*			trans	27.2	125.2	133.5	-47	-38	0	0	0	119.3
141	T	42.6	Very low	39.9	Very low	136 Å²	136	128.6 Å²	128.6	83%	0.834	77%	0.774	S	S	*	*				175.4	134.3	112.6	-56.9	0	0	0	0	111.2
142	S	50.1	Low	39.5	Very low	103 Å²	103	125.3 Å²	125.3	72%	0.72	76%	0.761	S	S	*	*			trans	-44.5	-175.2	174.1	60.6	0	0	0	0	119.5
143	P	39.9	Very low	39.3	Very low	120 Å²	120	121.9 Å²	121.9	78%	0.779	75%	0.745	S	S	*	*				-112.7	154.3	-68.1	33.1	-16.6	0	0	0	111.4
144	S	33	Very low	38.7	Very low	121 Å²	121	119.8 Å²	119.8	85%	0.846	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-65.2	126.7	-171.9	46.5	0	0	0	0	114.9
145	A	42.9	Very low	38.3	Very low	78 Å²	78	119.6 Å²	119.6	65%	0.645	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-60.7	158.3	163.8	0	0	0	0	0	112.1	V147	A145-V147 PolarHBondContact O-N 2.9Å; A145-V147 VanDerWaalsContact O-N 3.16Å
146	P	37.1	Very low	38.2	Very low	128 Å²	128	115.6 Å²	115.6	83%	0.831	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-63.7	120.3	-179.3	26.7	-32.8	0	0	0	109.9	E148	P146-E148 PolarHBondContact O-N 3.14Å
147	V	32.9	Very low	37.6	Very low	124 Å²	124	115 Å²	115	75%	0.752	70%	0.699	S	S	*	*			trans	-67	102.8	175.1	177.7	0	0	0	0	108.1	A145 L149	A145-V147 PolarHBondContact O-N 2.9Å; A145-V147 VanDerWaalsContact O-N 3.16Å; V147-L149 PolarHBondContact O-N 2.83Å
148	E	30.4	Very low	37.4	Very low	189 Å²	189	111.4 Å²	111.4	88%	0.883	68%	0.683	S	S	*	*			trans	-64.7	100.7	166.6	-151.4	176.4	-165.3	0	0	107.2	P146 A150	P146-E148 PolarHBondContact O-N 3.14Å; E148-A150 PolarHBondContact O-N 2.75Å
149	L	32	Very low	37.2	Very low	153 Å²	153	109.2 Å²	109.2	80%	0.801	66%	0.655	S	S	*	*			trans	-62	95.1	-179.4	-84.4	154.6	0	0	0	109.9	V147	V147-L149 PolarHBondContact O-N 2.83Å
150	A	31.7	Very low	37.1	Very low	78 Å²	78	101.6 Å²	101.6	65%	0.645	63%	0.63	S	S	*	*			trans	-61.1	135.5	171.5	0	0	0	0	0	110.1	E148 I152	E148-A150 PolarHBondContact O-N 2.75Å; A150-I152 PolarHBondContact O-N 2.94Å; A150-I152 VanDerWaalsContact O-N 3.11Å
151	P	32.3	Very low	37.4	Very low	73 Å²	73	102.8 Å²	102.8	47%	0.474	62%	0.624	S	S	.	*			trans	-66.8	115.9	179.8	25.6	-30.9	0	0	0	109.8	T153 I270	P151-T153 WeakPolarHBondContact O-CG2 3.32Å; P151-T153 PolarHBondContact O-N 2.68Å; P151-T153 PolarHBondContact O-OG1 3.27Å; P151-I270 HydrophobicContact CB-CG1 4.49Å
152	I	34.2	Very low	37.5	Very low	116 Å²	116	99.4 Å²	99.4	60%	0.595	60%	0.601	S	S	*	*			trans	-58.4	104.8	175.7	-60.1	170.4	0	0	0	108.5	A150	A150-I152 PolarHBondContact O-N 2.94Å; A150-I152 VanDerWaalsContact O-N 3.11Å
153	T	32.6	Very low	37.3	Very low	70 Å²	70	97.1 Å²	97.1	43%	0.429	58%	0.58	S	S	.	*			trans	-118.7	82.5	-175.1	40.2	0	0	0	0	110.1	P151 I270	P151-T153 WeakPolarHBondContact O-CG2 3.32Å; P151-T153 PolarHBondContact O-N 2.68Å; P151-T153 PolarHBondContact O-OG1 3.27Å; T153-I270 HydrophobicContact CG2-CG2 4.45Å
154	C	31.4	Very low	37.7	Very low	102 Å²	102	92.6 Å²	92.6	69%	0.689	55%	0.549	S	S	*	.			trans	-156.3	67	169.8	54.7	0	0	0	0	113.2
155	Y	41.7	Very low	38.5	Very low	104 Å²	104	89.5 Å²	89.5	41%	0.408	53%	0.528	S	S	.	.			trans	-102	94.6	171.2	-59.9	-65.1	0	0	0	111.6	M118 L159	M118-Y155 HydrophobicContact CB-CE1 3.83Å; M118-Y155 HydrophobicContact CE-CD1 4.17Å; M118-Y155 HydrophobicContact CE-CD2 4.35Å; M118-Y155 HydrophobicContact CE-CE1 3.4Å; M118-Y155 VanDerWaalsContact CE-CE1 3.4Å; M118-Y155 HydrophobicContact CE-CE2 3.61Å; M118-Y155 WeakPolarHBondContact CE-OH 3.44Å; M118-Y155 HydrophobicContact CG-CD1 4.05Å; M118-Y155 HydrophobicContact CG-CE1 3.65Å; M118-Y155 HydrophobicContact SD-CD1 3.51Å; M118-Y155 VanDerWaalsContact SD-CD1 3.51Å; M118-Y155 HydrophobicContact SD-CD2 4.3Å; M118-Y155 HydrophobicContact SD-CE1 3.28Å; M118-Y155 WeakPolarHBondContact SD-CE1 3.49Å; M118-Y155 HydrophobicContact SD-CE2 4.11Å; M118-Y155 HydrophobicContact SD-CG 4.05Å; Y155-L159 HydrophobicContact CD1-CD2 3.91Å; Y155-L159 HydrophobicContact CD2-CD2 4.26Å; Y155-L159 HydrophobicContact CG-CD2 3.56Å
156	G	35.7	Very low	38.6	Very low	42 Å²	42	89.8 Å²	89.8	43%	0.433	52%	0.516	S	S	.	.			trans	-73.4	-173.7	179.4	0	0	0	0	0	115.2	T158 L159	G156-T158 PolarHBondContact O-N 3.32Å; G156-L159 PolarHBondContact O-N 3.11Å
157	P	36.8	Very low	39.2	Very low	107 Å²	107	86.6 Å²	86.6	70%	0.695	49%	0.491	S	S	*	.	H	α-helix	trans	-52.8	-22.9	-175.3	-26.1	34	0	0	0	115.3	G160 R161	P157-G160 PolarHBondContact O-N 3.08Å; P157-R161 WeakPolarHBondContact O-CG 3.39Å; P157-R161 PolarHBondContact O-N 3.28Å; P157-R161 VanDerWaalsContact O-N 3.11Å
158	T	38	Very low	40.1	Very low	95 Å²	95	83.9 Å²	83.9	58%	0.583	47%	0.47	S	S	*	.	H	α-helix	trans	-67.3	-40.8	177.9	-46	0	0	0	0	112	G156 G160 R161 L162	G156-T158 PolarHBondContact O-N 3.32Å; T158-G160 VanDerWaalsContact C-N 3.35Å; T158-R161 PolarHBondContact O-N 2.63Å; T158-L162 PolarHBondContact O-N 3.38Å
159	L	42.8	Very low	41	Very low	27 Å²	27	78.3 Å²	78.3	14%	0.141	45%	0.447	C	S	.	.	H	α-helix	trans	-64.1	-45	175	-172.7	71.1	0	0	0	110	I114 M118 Y155 G156 R161 L162 L163	I114-L159 HydrophobicContact CG2-CD1 3.99Å; M118-L159 HydrophobicContact CG-CD1 3.61Å; M118-L159 HydrophobicContact SD-CD1 3.44Å; M118-L159 WeakPolarHBondContact SD-CD1 3.05Å; M118-L159 HydrophobicContact SD-CD2 3.61Å; M118-L159 HydrophobicContact SD-CG 4.18Å; Y155-L159 HydrophobicContact CD1-CD2 3.91Å; Y155-L159 HydrophobicContact CD2-CD2 4.26Å; Y155-L159 HydrophobicContact CG-CD2 3.56Å; G156-L159 PolarHBondContact O-N 3.11Å; L159-R161 VanDerWaalsContact C-N 3.26Å; L159-R161 PolarHBondContact O-N 2.77Å; L159-L162 PolarHBondContact O-N 3.31Å; L159-L162 VanDerWaalsContact O-N 3.12Å; L159-L163 HydrophobicContact CD1-CG 4.44Å; L159-L163 HydrophobicContact CD2-CD1 4.12Å; L159-L163 HydrophobicContact CG-CD1 3.9Å; L159-L163 HydrophobicContact CG-CG 4.1Å; L159-L163 WeakPolarHBondContact O-CB 3.25Å; L159-L163 VanDerWaalsContact O-CG 3.23Å; L159-L163 WeakPolarHBondContact O-CG 3Å; L159-L163 PolarHBondContact O-N 3.33Å
160	G	44.9	Very low	41.8	Very low	30 Å²	30	73 Å²	73	31%	0.309	42%	0.42	S	S	.	.	H	α-helix	trans	-54.8	-40.3	175.7	0	0	0	0	0	112.9	P157 T158 N164	P157-G160 PolarHBondContact O-N 3.08Å; T158-G160 VanDerWaalsContact C-N 3.35Å; G160-N164 WeakPolarHBondContact O-CB 3.41Å; G160-N164 PolarHBondContact O-N 3.47Å; G160-N164 VanDerWaalsContact O-N 3.09Å
161	R	42.6	Very low	42.5	Very low	162 Å²	162	71.1 Å²	71.1	61%	0.611	41%	0.405	S	S	*	.	H	α-helix	trans	-70	-41.5	176.2	-70.6	-179.8	-170.7	-163.3	5.2	113	P157 T158 L159 N164 S165	P157-R161 WeakPolarHBondContact O-CG 3.39Å; P157-R161 PolarHBondContact O-N 3.28Å; P157-R161 VanDerWaalsContact O-N 3.11Å; T158-R161 PolarHBondContact O-N 2.63Å; L159-R161 VanDerWaalsContact C-N 3.26Å; L159-R161 PolarHBondContact O-N 2.77Å; R161-N164 PolarHBondContact O-N 2.85Å; R161-S165 WeakPolarHBondContact O-CB 3.47Å; R161-S165 PolarHBondContact O-N 2.81Å
162	L	44	Very low	43.3	Very low	66 Å²	66	70.8 Å²	70.8	35%	0.346	40%	0.402	S	S	.	.	H	α-helix	trans	-65.1	-46.5	179.9	-165.8	75.9	0	0	0	110.8	T158 L159 N164 S165 Q166	T158-L162 PolarHBondContact O-N 3.38Å; L159-L162 PolarHBondContact O-N 3.31Å; L159-L162 VanDerWaalsContact O-N 3.12Å; L162-N164 VanDerWaalsContact C-N 3.32Å; L162-N164 PolarHBondContact O-N 2.82Å; L162-S165 PolarHBondContact O-N 2.9Å; L162-Q166 WeakPolarHBondContact O-CG 3.32Å; L162-Q166 PolarHBondContact O-N 2.98Å
163	L	46.7	Very low	44.3	Very low	54 Å²	54	72.9 Å²	72.9	28%	0.283	41%	0.407	S	S	.	.	H	α-helix	trans	-56.7	-46.2	173.7	-68.9	177.4	0	0	0	111.5	I114 L159 Q166 L167	I114-L163 HydrophobicContact CB-CD2 4.35Å; I114-L163 HydrophobicContact CD1-CD2 3.03Å; I114-L163 HydrophobicContact CG1-CD2 3.56Å; I114-L163 HydrophobicContact CG2-CD2 3.87Å; L159-L163 HydrophobicContact CD1-CG 4.44Å; L159-L163 HydrophobicContact CD2-CD1 4.12Å; L159-L163 HydrophobicContact CG-CD1 3.9Å; L159-L163 HydrophobicContact CG-CG 4.1Å; L159-L163 WeakPolarHBondContact O-CB 3.25Å; L159-L163 VanDerWaalsContact O-CG 3.23Å; L159-L163 WeakPolarHBondContact O-CG 3Å; L159-L163 PolarHBondContact O-N 3.33Å; L163-Q166 PolarHBondContact O-N 2.63Å; L163-L167 VanDerWaalsContact O-CB 3.32Å; L163-L167 WeakPolarHBondContact O-CB 3.39Å; L163-L167 VanDerWaalsContact O-CG 3.27Å; L163-L167 WeakPolarHBondContact O-CG 3.47Å; L163-L167 PolarHBondContact O-N 2.79Å
164	N	48	Very low	45.4	Very low	26 Å²	26	73.5 Å²	73.5	14%	0.139	40%	0.401	C	S	.	.	H	α-helix	trans	-65.4	-41.6	-179.9	-136	26.1	0	0	0	111.7	G160 R161 L162 L167 E168 V219 I252	G160-N164 WeakPolarHBondContact O-CB 3.41Å; G160-N164 PolarHBondContact O-N 3.47Å; G160-N164 VanDerWaalsContact O-N 3.09Å; R161-N164 PolarHBondContact O-N 2.85Å; L162-N164 VanDerWaalsContact C-N 3.32Å; L162-N164 PolarHBondContact O-N 2.82Å; N164-L167 PolarHBondContact O-N 3.25Å; N164-E168 VanDerWaalsContact O-CB 3.31Å; N164-E168 WeakPolarHBondContact O-CB 3.28Å; N164-E168 VanDerWaalsContact O-CG 3.26Å; N164-E168 WeakPolarHBondContact O-CG 3.33Å; N164-E168 PolarHBondContact O-N 2.91Å; N164-V219 VanDerWaalsContact OD1-CG2 3.27Å; N164-V219 WeakPolarHBondContact OD1-CG2 3.46Å; N164-I252 HydrophobicContact CB-CD1 4.2Å; N164-I252 WeakPolarHBondContact ND2-CD1 3.38Å
165	S	50.3	Low	46.5	Very low	56 Å²	56	75.4 Å²	75.4	39%	0.392	39%	0.394	S	S	.	.	H	α-helix	trans	-63.3	-43.2	177.4	-175.7	0	0	0	0	111.9	R161 L162 E168 N169	R161-S165 WeakPolarHBondContact O-CB 3.47Å; R161-S165 PolarHBondContact O-N 2.81Å; L162-S165 PolarHBondContact O-N 2.9Å; S165-E168 PolarHBondContact O-N 2.9Å; S165-N169 WeakPolarHBondContact O-CB 3.47Å; S165-N169 PolarHBondContact O-N 2.92Å; S165-N169 PolarHBondContact O-ND2 3.25Å
166	Q	44.8	Very low	46.9	Very low	84 Å²	84	75.8 Å²	75.8	39%	0.393	40%	0.401	S	S	.	.	H	α-helix	trans	-69.5	-41.2	178.3	-66.4	-61.5	-13.8	0	0	112.2	L110 L162 L163 E168 N169 V170	L110-Q166 HydrophobicContact CD2-CB 4.22Å; L162-Q166 WeakPolarHBondContact O-CG 3.32Å; L162-Q166 PolarHBondContact O-N 2.98Å; L163-Q166 PolarHBondContact O-N 2.63Å; Q166-E168 VanDerWaalsContact C-N 3.34Å; Q166-E168 PolarHBondContact O-N 3.29Å; Q166-N169 WeakPolarHBondContact O-CB 3.44Å; Q166-N169 PolarHBondContact O-N 3.45Å; Q166-V170 WeakPolarHBondContact O-CG2 3.15Å; Q166-V170 PolarHBondContact O-N 2.82Å
167	L	50.1	Low	48.5	Very low	60 Å²	60	80.3 Å²	80.3	31%	0.314	41%	0.408	S	S	.	.	H	α-helix	trans	-63.1	-40.2	174.1	-75	168.4	0	0	0	111.8	L163 N164 V170 A171	L163-L167 VanDerWaalsContact O-CB 3.32Å; L163-L167 WeakPolarHBondContact O-CB 3.39Å; L163-L167 VanDerWaalsContact O-CG 3.27Å; L163-L167 WeakPolarHBondContact O-CG 3.47Å; L163-L167 PolarHBondContact O-N 2.79Å; N164-L167 PolarHBondContact O-N 3.25Å; L167-V170 PolarHBondContact O-N 3.47Å; L167-A171 VanDerWaalsContact O-CB 3.25Å; L167-A171 WeakPolarHBondContact O-CB 3.37Å; L167-A171 PolarHBondContact O-N 2.84Å
168	E	50.7	Low	50.1	Low	68 Å²	68	79.6 Å²	79.6	32%	0.318	40%	0.398	S	S	.	.	H	α-helix	trans	-62.4	-42.1	173.1	-78.6	-178.5	172.5	0	0	111.5	N164 S165 Q166 V170 A171 T172	N164-E168 VanDerWaalsContact O-CB 3.31Å; N164-E168 WeakPolarHBondContact O-CB 3.28Å; N164-E168 VanDerWaalsContact O-CG 3.26Å; N164-E168 WeakPolarHBondContact O-CG 3.33Å; N164-E168 PolarHBondContact O-N 2.91Å; S165-E168 PolarHBondContact O-N 2.9Å; Q166-E168 VanDerWaalsContact C-N 3.34Å; Q166-E168 PolarHBondContact O-N 3.29Å; E168-V170 PolarHBondContact O-N 3.47Å; E168-A171 PolarHBondContact O-N 2.96Å; E168-T172 VanDerWaalsContact O-CB 3.31Å; E168-T172 WeakPolarHBondContact O-CB 3.13Å; E168-T172 VanDerWaalsContact O-CG2 3.29Å; E168-T172 WeakPolarHBondContact O-CG2 3.43Å; E168-T172 PolarHBondContact O-N 3.41Å; E168-T172 PolarHBondContact O-OG1 3.12Å
169	N	49.1	Very low	51.2	Low	72 Å²	72	79.9 Å²	79.9	39%	0.385	40%	0.395	S	S	.	.	H	α-helix	trans	-62.2	-41.6	175.6	-72.8	-23.1	0	0	0	112.3	S165 Q166 T172 K173	S165-N169 WeakPolarHBondContact O-CB 3.47Å; S165-N169 PolarHBondContact O-N 2.92Å; S165-N169 PolarHBondContact O-ND2 3.25Å; Q166-N169 WeakPolarHBondContact O-CB 3.44Å; Q166-N169 PolarHBondContact O-N 3.45Å; N169-T172 VanDerWaalsContact CA-OG1 3.3Å; N169-T172 WeakPolarHBondContact CA-OG1 3.31Å; N169-T172 PolarHBondContact O-OG1 2.99Å; N169-K173 WeakPolarHBondContact O-CB 3.49Å; N169-K173 VanDerWaalsContact O-CG 3.31Å; N169-K173 WeakPolarHBondContact O-CG 3.1Å; N169-K173 PolarHBondContact O-N 3.41Å
170	V	48.8	Very low	52.3	Low	40 Å²	40	83.6 Å²	83.6	24%	0.242	41%	0.412	C	S	.	.	H	α-helix	trans	-70.1	-44.3	177.2	174.2	0	0	0	0	111.1	L110 Q166 L167 E168 T172 K173 R174	L110-V170 HydrophobicContact CD1-CG2 4.4Å; Q166-V170 WeakPolarHBondContact O-CG2 3.15Å; Q166-V170 PolarHBondContact O-N 2.82Å; L167-V170 PolarHBondContact O-N 3.47Å; E168-V170 PolarHBondContact O-N 3.47Å; V170-T172 VanDerWaalsContact C-N 3.35Å; V170-T172 PolarHBondContact O-N 3.36Å; V170-K173 PolarHBondContact O-N 3.47Å; V170-R174 WeakPolarHBondContact O-CG 3.39Å; V170-R174 PolarHBondContact O-N 3.17Å
171	A	46.8	Very low	53.7	Low	39 Å²	39	85.3 Å²	85.3	32%	0.322	41%	0.414	S	S	.	.	H	α-helix	trans	-63.8	-39.4	177.4	0	0	0	0	0	112	L167 E168 R174 R175	L167-A171 VanDerWaalsContact O-CB 3.25Å; L167-A171 WeakPolarHBondContact O-CB 3.37Å; L167-A171 PolarHBondContact O-N 2.84Å; E168-A171 PolarHBondContact O-N 2.96Å; A171-R174 PolarHBondContact O-N 3.37Å; A171-R175 WeakPolarHBondContact O-CG 3.08Å; A171-R175 PolarHBondContact O-N 3.02Å
172	T	48.9	Very low	55.2	Low	67 Å²	67	83.7 Å²	83.7	41%	0.411	41%	0.411	S	S	.	.	H	α-helix	trans	-68.4	-44.1	174.9	49	0	0	0	0	112	E168 N169 V170 R174 R175 M176	E168-T172 VanDerWaalsContact O-CB 3.31Å; E168-T172 WeakPolarHBondContact O-CB 3.13Å; E168-T172 VanDerWaalsContact O-CG2 3.29Å; E168-T172 WeakPolarHBondContact O-CG2 3.43Å; E168-T172 PolarHBondContact O-N 3.41Å; E168-T172 PolarHBondContact O-OG1 3.12Å; N169-T172 VanDerWaalsContact CA-OG1 3.3Å; N169-T172 WeakPolarHBondContact CA-OG1 3.31Å; N169-T172 PolarHBondContact O-OG1 2.99Å; V170-T172 VanDerWaalsContact C-N 3.35Å; V170-T172 PolarHBondContact O-N 3.36Å; T172-R174 VanDerWaalsContact C-N 3.29Å; T172-R174 PolarHBondContact O-N 3.28Å; T172-R175 PolarHBondContact O-N 3.37Å; T172-R175 VanDerWaalsContact O-N 3.17Å; T172-M176 WeakPolarHBondContact O-CB 3.43Å; T172-M176 WeakPolarHBondContact O-CG 3.39Å; T172-M176 PolarHBondContact O-N 2.72Å
173	K	56.2	Low	56.3	Low	160 Å²	160	85.4 Å²	85.4	70%	0.696	42%	0.42	S	S	*	.	H	α-helix	trans	-54.9	-43.5	171.8	-80.6	179.8	-179.5	179.9	0	111.8	N169 V170 M176 K177	N169-K173 WeakPolarHBondContact O-CB 3.49Å; N169-K173 VanDerWaalsContact O-CG 3.31Å; N169-K173 WeakPolarHBondContact O-CG 3.1Å; N169-K173 PolarHBondContact O-N 3.41Å; V170-K173 PolarHBondContact O-N 3.47Å; K173-M176 WeakPolarHBondContact O-CB 3.33Å; K173-M176 PolarHBondContact O-N 3.26Å; K173-K177 PolarHBondContact O-N 3.29Å
174	R	55.6	Low	57.5	Low	83 Å²	83	91.4 Å²	91.4	31%	0.313	44%	0.439	S	S	.	.	H	α-helix	trans	-65.1	-43.7	175.8	-75.1	179.7	178.3	171.3	-0.9	113	V170 A171 T172 M176 K177 I178	V170-R174 WeakPolarHBondContact O-CG 3.39Å; V170-R174 PolarHBondContact O-N 3.17Å; A171-R174 PolarHBondContact O-N 3.37Å; T172-R174 VanDerWaalsContact C-N 3.29Å; T172-R174 PolarHBondContact O-N 3.28Å; R174-M176 VanDerWaalsContact C-N 3.32Å; R174-M176 PolarHBondContact O-N 3.48Å; R174-K177 PolarHBondContact O-N 3.22Å; R174-I178 WeakPolarHBondContact O-CG1 3.47Å; R174-I178 PolarHBondContact O-N 3.46Å
175	R	53.4	Low	58.8	Low	142 Å²	142	97.8 Å²	97.8	54%	0.536	47%	0.465	S	S	.	.	H	α-helix	trans	-61.9	-41	175.7	-74.9	176.9	-175	171.8	6.9	111.7	A171 T172 I178 L179	A171-R175 WeakPolarHBondContact O-CG 3.08Å; A171-R175 PolarHBondContact O-N 3.02Å; T172-R175 PolarHBondContact O-N 3.37Å; T172-R175 VanDerWaalsContact O-N 3.17Å; R175-I178 PolarHBondContact O-N 2.9Å; R175-L179 WeakPolarHBondContact O-CB 3.28Å; R175-L179 WeakPolarHBondContact O-CG 3.35Å; R175-L179 PolarHBondContact O-N 3.18Å
176	M	50.8	Low	59.7	Low	112 Å²	112	103.3 Å²	103.3	55%	0.552	48%	0.478	S	S	*	.	H	α-helix	trans	-60.3	-46.2	174.3	-77.4	-73.4	-72.8	0	0	111.3	T172 K173 R174 L179 Q180	T172-M176 WeakPolarHBondContact O-CB 3.43Å; T172-M176 WeakPolarHBondContact O-CG 3.39Å; T172-M176 PolarHBondContact O-N 2.72Å; K173-M176 WeakPolarHBondContact O-CB 3.33Å; K173-M176 PolarHBondContact O-N 3.26Å; R174-M176 VanDerWaalsContact C-N 3.32Å; R174-M176 PolarHBondContact O-N 3.48Å; M176-L179 PolarHBondContact O-N 2.95Å; M176-Q180 WeakPolarHBondContact O-CB 3.44Å; M176-Q180 WeakPolarHBondContact O-CG 3.31Å; M176-Q180 PolarHBondContact O-N 3.22Å
177	K	69.4	Low	60.8	Low	136 Å²	136	107.5 Å²	107.5	59%	0.591	50%	0.495	S	S	*	.	H	α-helix	trans	-60.4	-48.9	175.8	-168.5	176.8	-178.3	178.2	0	112	K173 R174 L179 Q180 D181	K173-K177 PolarHBondContact O-N 3.29Å; R174-K177 PolarHBondContact O-N 3.22Å; K177-L179 VanDerWaalsContact C-N 3.31Å; K177-L179 PolarHBondContact O-N 3.11Å; K177-Q180 PolarHBondContact O-N 2.89Å; K177-D181 PolarHBondContact O-N 3.37Å
178	I	69.2	Low	61.6	Low	92 Å²	92	108.1 Å²	108.1	47%	0.472	51%	0.508	S	S	.	.	H	α-helix	trans	-60.9	-39.3	177.2	-66.8	166.8	0	0	0	111.6	R174 R175 K182	R174-I178 WeakPolarHBondContact O-CG1 3.47Å; R174-I178 PolarHBondContact O-N 3.46Å; R175-I178 PolarHBondContact O-N 2.9Å; I178-K182 HydrophobicContact CG2-CD 4.3Å; I178-K182 WeakPolarHBondContact O-CB 3.46Å; I178-K182 WeakPolarHBondContact O-CG 3.26Å; I178-K182 PolarHBondContact O-N 2.97Å
179	L	61.2	Low	62.2	Low	102 Å²	102	112.6 Å²	112.6	53%	0.534	53%	0.527	S	S	.	.	H	α-helix	trans	-66.6	-43.7	175.7	-84.1	164.7	0	0	0	111.8	R175 M176 K177 D181 K182 L183	R175-L179 WeakPolarHBondContact O-CB 3.28Å; R175-L179 WeakPolarHBondContact O-CG 3.35Å; R175-L179 PolarHBondContact O-N 3.18Å; M176-L179 PolarHBondContact O-N 2.95Å; K177-L179 VanDerWaalsContact C-N 3.31Å; K177-L179 PolarHBondContact O-N 3.11Å; L179-D181 VanDerWaalsContact C-N 3.35Å; L179-K182 PolarHBondContact O-N 3.31Å; L179-L183 WeakPolarHBondContact O-CB 3.44Å; L179-L183 VanDerWaalsContact O-CG 3.3Å; L179-L183 WeakPolarHBondContact O-CG 3.38Å; L179-L183 PolarHBondContact O-N 3.12Å
180	Q	66.1	Low	62.5	Low	105 Å²	105	115.6 Å²	115.6	49%	0.491	54%	0.543	S	S	.	.	H	α-helix	trans	-60.6	-43.4	174.5	-76.9	179.8	-13.8	0	0	111.5	M176 K177 K182 L183 R184	M176-Q180 WeakPolarHBondContact O-CB 3.44Å; M176-Q180 WeakPolarHBondContact O-CG 3.31Å; M176-Q180 PolarHBondContact O-N 3.22Å; K177-Q180 PolarHBondContact O-N 2.89Å; Q180-K182 PolarHBondContact O-N 2.93Å; Q180-L183 PolarHBondContact O-N 3.44Å; Q180-R184 WeakPolarHBondContact O-CG 3.49Å; Q180-R184 PolarHBondContact O-N 3.44Å
181	D	74.7	Confident	62.8	Low	66 Å²	66	118.6 Å²	118.6	35%	0.353	57%	0.566	S	S	.	*	H	α-helix	trans	-64.5	-40.8	176.8	-70.4	-21.1	0	0	0	111.6	K177 L179 R184 K185	K177-D181 PolarHBondContact O-N 3.37Å; L179-D181 VanDerWaalsContact C-N 3.35Å; D181-R184 PolarHBondContact O-N 3.04Å; D181-K185 WeakPolarHBondContact O-CB 3.5Å; D181-K185 WeakPolarHBondContact O-CG 3.43Å; D181-K185 PolarHBondContact O-N 3.3Å
182	K	73.6	Confident	62.9	Low	128 Å²	128	120.4 Å²	120.4	56%	0.557	58%	0.576	S	S	*	*	H	α-helix	trans	-65.3	-37	173.5	-76.7	180	179.8	-177.6	0	112.3	I178 L179 Q180 R186	I178-K182 HydrophobicContact CG2-CD 4.3Å; I178-K182 WeakPolarHBondContact O-CB 3.46Å; I178-K182 WeakPolarHBondContact O-CG 3.26Å; I178-K182 PolarHBondContact O-N 2.97Å; L179-K182 PolarHBondContact O-N 3.31Å; Q180-K182 PolarHBondContact O-N 2.93Å; K182-R186 WeakPolarHBondContact O-CB 3.07Å; K182-R186 WeakPolarHBondContact O-CG 3.32Å; K182-R186 PolarHBondContact O-N 3.48Å
183	L	68.6	Low	62.5	Low	102 Å²	102	125 Å²	125	53%	0.534	60%	0.597	S	S	.	*	H	α-helix	trans	-68.8	-41.1	175.3	-74.1	170.6	0	0	0	111.6	L179 Q180 R186 K187	L179-L183 WeakPolarHBondContact O-CB 3.44Å; L179-L183 VanDerWaalsContact O-CG 3.3Å; L179-L183 WeakPolarHBondContact O-CG 3.38Å; L179-L183 PolarHBondContact O-N 3.12Å; Q180-L183 PolarHBondContact O-N 3.44Å; L183-R186 PolarHBondContact O-N 3.37Å; L183-K187 WeakPolarHBondContact O-CG 3.38Å; L183-K187 PolarHBondContact O-N 3.23Å
184	R	71.3	Confident	61.4	Low	180 Å²	180	122.6 Å²	122.6	68%	0.679	60%	0.598	S	S	*	*	H	α-helix	trans	-60.3	-47.8	172.3	-75.7	179.3	175.2	-175.1	-2.6	111.1	Q180 D181 R186 K187 A188	Q180-R184 WeakPolarHBondContact O-CG 3.49Å; Q180-R184 PolarHBondContact O-N 3.44Å; D181-R184 PolarHBondContact O-N 3.04Å; R184-R186 VanDerWaalsContact C-N 3.34Å; R184-R186 PolarHBondContact O-N 3.41Å; R184-K187 PolarHBondContact O-N 2.86Å; R184-A188 PolarHBondContact O-N 2.86Å
185	K	76.2	Confident	60.2	Low	159 Å²	159	123 Å²	123	69%	0.691	61%	0.613	S	S	*	*	H	α-helix	trans	-61.7	-37.9	175.5	-73.4	179.4	179.9	-176.2	0	112.6	D181 A188 K189	D181-K185 WeakPolarHBondContact O-CB 3.5Å; D181-K185 WeakPolarHBondContact O-CG 3.43Å; D181-K185 PolarHBondContact O-N 3.3Å; K185-A188 PolarHBondContact O-N 2.78Å; K185-K189 WeakPolarHBondContact O-CB 3.45Å; K185-K189 PolarHBondContact O-N 3.5Å; K185-K189 VanDerWaalsContact O-N 3.08Å
186	R	68	Low	59.4	Low	173 Å²	173	125 Å²	125	65%	0.653	63%	0.628	S	S	*	*	H	α-helix	trans	-69.9	-39.4	174.7	-78.9	-179.8	174.3	-173.5	-3.3	112.8	K182 L183 R184 A188 K189 N190	K182-R186 WeakPolarHBondContact O-CB 3.07Å; K182-R186 WeakPolarHBondContact O-CG 3.32Å; K182-R186 PolarHBondContact O-N 3.48Å; L183-R186 PolarHBondContact O-N 3.37Å; R184-R186 VanDerWaalsContact C-N 3.34Å; R184-R186 PolarHBondContact O-N 3.41Å; R186-A188 VanDerWaalsContact C-N 3.29Å; R186-A188 PolarHBondContact O-N 3.03Å; R186-K189 PolarHBondContact O-N 3.05Å; R186-N190 VanDerWaalsContact O-CB 3.29Å; R186-N190 WeakPolarHBondContact O-CB 3.18Å; R186-N190 PolarHBondContact O-N 3.28Å
187	K	67.2	Low	58.8	Low	171 Å²	171	125 Å²	125	74%	0.743	64%	0.639	S	S	*	*	H	α-helix	trans	-61.5	-38.6	173.6	-76.6	-173.7	176.8	-170.6	0	111.7	L183 R184	L183-K187 WeakPolarHBondContact O-CG 3.38Å; L183-K187 PolarHBondContact O-N 3.23Å; R184-K187 PolarHBondContact O-N 2.86Å
188	A	68	Low	56.9	Low	73 Å²	73	124 Å²	124	60%	0.603	65%	0.65	S	S	*	*	H	α-helix	trans	-71.4	-25.5	174.9	0	0	0	0	0	114	R184 K185 R186 S191	R184-A188 PolarHBondContact O-N 2.86Å; K185-A188 PolarHBondContact O-N 2.78Å; R186-A188 VanDerWaalsContact C-N 3.29Å; R186-A188 PolarHBondContact O-N 3.03Å; A188-S191 PolarHBondContact O-OG 2.61Å; A188-S191 VanDerWaalsContact O-OG 3.08Å
189	K	62.9	Low	55.1	Low	162 Å²	162	126.3 Å²	126.3	70%	0.704	67%	0.672	S	S	*	*	H	α-helix	trans	-94.6	-24.5	-179	-142.1	176.1	-172.4	-176	0	113.6	K185 R186 S191 S192	K185-K189 WeakPolarHBondContact O-CB 3.45Å; K185-K189 PolarHBondContact O-N 3.5Å; K185-K189 VanDerWaalsContact O-N 3.08Å; R186-K189 PolarHBondContact O-N 3.05Å; K189-S191 VanDerWaalsContact C-N 3.33Å; K189-S192 PolarHBondContact O-N 3.11Å; K189-S192 PolarHBondContact O-OG 2.9Å; K189-S192 VanDerWaalsContact O-OG 3.06Å
190	N	56.3	Low	53.6	Low	136 Å²	136	126.2 Å²	126.2	73%	0.727	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-4.4	177.9	-78.7	10.7	0	0	0	113.6	R186 S192	R186-N190 VanDerWaalsContact O-CB 3.29Å; R186-N190 WeakPolarHBondContact O-CB 3.18Å; R186-N190 PolarHBondContact O-N 3.28Å; N190-S192 PolarHBondContact O-N 3.25Å
191	S	54.1	Low	52	Low	103 Å²	103	125.9 Å²	125.9	72%	0.72	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-0.7	165.6	51	0	0	0	0	113	A188 K189	A188-S191 PolarHBondContact O-OG 2.61Å; A188-S191 VanDerWaalsContact O-OG 3.08Å; K189-S191 VanDerWaalsContact C-N 3.33Å
192	S	48.9	Very low	50	Low	77 Å²	77	132.7 Å²	132.7	54%	0.538	72%	0.716	S	S	.	*	S	Bend	trans	-129.9	81.2	175.7	59.4	0	0	0	0	111.7	K189 N190	K189-S192 PolarHBondContact O-N 3.11Å; K189-S192 PolarHBondContact O-OG 2.9Å; K189-S192 VanDerWaalsContact O-OG 3.06Å; N190-S192 PolarHBondContact O-N 3.25Å
193	L	41.2	Very low	47.7	Very low	164 Å²	164	134.4 Å²	134.4	86%	0.859	73%	0.73	S	S	*	*			trans	63.8	160.1	147.4	-84	150.5	0	0	0	119.5
194	P	32.5	Very low	46	Very low	109 Å²	109	134.4 Å²	134.4	71%	0.708	75%	0.745	S	S	*	*				-117.6	-178.9	-120.5	39	-23.3	0	0	0	115.8
195	S	30.4	Very low	43.9	Very low	90 Å²	90	131.7 Å²	131.7	63%	0.629	75%	0.748	S	S	*	*			trans	-40	149.1	-177.7	51.9	0	0	0	0	119.3
196	H	36.6	Very low	41.9	Very low	185 Å²	185	132 Å²	132	86%	0.856	76%	0.756	S	S	*	*			trans	160	144.4	138.5	-77.2	-60.4	0	0	0	105.5
197	S	38	Very low	40.3	Very low	111 Å²	111	129.3 Å²	129.3	78%	0.776	76%	0.759	S	S	*	*			cis	-167.6	169	3	43.8	0	0	0	0	107.2
198	S	30.9	Very low	38.6	Very low	117 Å²	117	129.1 Å²	129.1	82%	0.818	77%	0.766	S	S	*	*			trans	-61.7	155.4	-174.7	50.4	0	0	0	0	118.1
199	C	29.9	Very low	36.7	Very low	139 Å²	139	129.2 Å²	129.2	94%	0.939	78%	0.775	S	S	*	*			trans	-160.8	157.6	136.1	-153.7	0	0	0	0	113
200	S	30.8	Very low	35.4	Very low	100 Å²	100	127.2 Å²	127.2	70%	0.699	78%	0.781	S	S	*	*			trans	-117	159.9	-151.5	-163.1	0	0	0	0	114.4
201	S	31.6	Very low	34.2	Very low	99 Å²	99	129.3 Å²	129.3	69%	0.692	79%	0.79	S	S	*	*			trans	64.8	129.7	147.7	66	0	0	0	0	122.6
202	K	32.5	Very low	33.3	Very low	208 Å²	208	128.3 Å²	128.3	90%	0.904	79%	0.788	S	S	*	*				-174.3	140.8	118.1	-100	169.4	-176.8	179.2	0	113.2
203	L	26.8	Very low	32.7	Very low	165 Å²	165	128.9 Å²	128.9	86%	0.864	79%	0.791	S	S	*	*			trans	-76.3	156.5	178.3	-105.1	74.8	0	0	0	112.8
204	A	32	Very low	32.6	Very low	102 Å²	102	125 Å²	125	84%	0.843	79%	0.79	S	S	*	*			trans	-158.2	133.4	144.1	0	0	0	0	0	111.8
205	T	28.2	Very low	33.1	Very low	122 Å²	122	129.4 Å²	129.4	75%	0.748	79%	0.793	S	S	*	*			trans	-102.1	133.8	179.1	-54.2	0	0	0	0	109.1
206	I	32.5	Very low	33.4	Very low	166 Å²	166	127.3 Å²	127.3	85%	0.851	78%	0.778	S	S	*	*			trans	-141	143.9	160.7	-58.8	-177.5	0	0	0	109.9
207	T	35.5	Very low	33.6	Very low	116 Å²	116	124.6 Å²	124.6	71%	0.712	76%	0.764	S	S	*	*			trans	-85	148.2	-159.1	44.1	0	0	0	0	117.1
208	N	30.2	Very low	33.6	Very low	167 Å²	167	121 Å²	121	89%	0.893	74%	0.743	S	S	*	*			trans	13.3	127.2	150.2	-61.1	-16.5	0	0	0	121.7
209	G	28	Very low	33.9	Very low	76 Å²	76	118.6 Å²	118.6	78%	0.784	72%	0.724	S	S	*	*			trans	165.6	125.6	154	0	0	0	0	0	111.8
210	S	35.4	Very low	34.2	Very low	119 Å²	119	115.9 Å²	115.9	83%	0.832	70%	0.703	S	S	*	*			trans	94.5	118.2	174.3	-168.4	0	0	0	0	117.5	A212	S210-A212 PolarHBondContact O-N 2.98Å
211	I	31.4	Very low	34.4	Very low	181 Å²	181	113.3 Å²	113.3	93%	0.928	69%	0.692	S	S	*	*			trans	-69.4	88.3	-179.4	-61.2	158	0	0	0	108.5
212	A	35.4	Very low	34.4	Very low	81 Å²	81	118.5 Å²	118.5	67%	0.669	70%	0.697	S	S	*	*			trans	-125.3	125.3	167.1	0	0	0	0	0	108.5	S210 G214	S210-A212 PolarHBondContact O-N 2.98Å; A212-G214 PolarHBondContact O-N 3.19Å
213	C	36.7	Very low	34.4	Very low	89 Å²	89	117.4 Å²	117.4	60%	0.601	69%	0.687	S	S	*	*			trans	-54.9	103.9	177	-179.8	0	0	0	0	109.7	R215	C213-R215 PolarHBondContact O-N 3.46Å
214	G	39.4	Very low	34.7	Very low	82 Å²	82	115.6 Å²	115.6	85%	0.845	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	28.8	-178.2	0	0	0	0	0	115	A212	A212-G214 PolarHBondContact O-N 3.19Å
215	R	42.9	Very low	34.7	Very low	203 Å²	203	120.2 Å²	120.2	77%	0.766	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.1	8.4	-172.1	-60.6	-174.3	-166.5	169.4	6.2	114.8	C213	C213-R215 PolarHBondContact O-N 3.46Å
216	C	37.3	Very low	35	Very low	46 Å²	46	118.4 Å²	118.4	31%	0.311	67%	0.671	S	S	.	*			trans	-119.7	117.5	-171	-45.6	0	0	0	0	111.3	C248 C250	C216-C248 VanDerWaalsContact SG-SG 3.65Å; C216-C250 PolarHBondContact SG-SG 3.34Å
217	F	41	Very low	35.2	Very low	128 Å²	128	115.5 Å²	115.5	56%	0.561	66%	0.661	S	S	*	*			trans	-76.5	124.8	173.3	-82.3	-90.6	0	0	0	110	A241	F217-A241 HydrophobicContact CE1-CB 4.09Å; F217-A241 HydrophobicContact CE2-CB 3.81Å; F217-A241 HydrophobicContact CZ-CB 3.5Å
218	G	36.6	Very low	35.4	Very low	34 Å²	34	115.6 Å²	115.6	35%	0.351	66%	0.657	S	S	.	*			trans	-81.5	150.9	170.8	0	0	0	0	0	112.6	T220	G218-T220 PolarHBondContact O-N 2.84Å
219	V	37.9	Very low	35.9	Very low	68 Å²	68	112.8 Å²	112.8	41%	0.412	64%	0.643	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.5	-5.2	-175.5	-168.9	0	0	0	0	113.4	N164 G221 I252	N164-V219 VanDerWaalsContact OD1-CG2 3.27Å; N164-V219 WeakPolarHBondContact OD1-CG2 3.46Å; V219-G221 PolarHBondContact O-N 3.13Å; V219-I252 HydrophobicContact CG2-CG2 4.1Å
220	T	36.7	Very low	36.3	Very low	81 Å²	81	113.5 Å²	113.5	50%	0.497	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.4	-2.7	-171.3	56.4	0	0	0	0	115.1	G218 R222	G218-T220 PolarHBondContact O-N 2.84Å; T220-R222 PolarHBondContact O-N 2.77Å
221	G	34.9	Very low	36.3	Very low	46 Å²	46	117.3 Å²	117.3	47%	0.474	62%	0.624	S	S	.	*			trans	61.2	11.3	178.8	0	0	0	0	0	114.9	V219	V219-G221 PolarHBondContact O-N 3.13Å
222	R	31.6	Very low	36.9	Very low	208 Å²	208	114.4 Å²	114.4	79%	0.785	61%	0.609	S	S	*	*			trans	-78.4	130.6	164.6	-66.8	-168.9	-163.1	-160.1	5.6	108.1	T220 L224	T220-R222 PolarHBondContact O-N 2.77Å; R222-L224 PolarHBondContact O-N 2.9Å
223	R	32.7	Very low	38	Very low	186 Å²	186	113.3 Å²	113.3	70%	0.702	61%	0.605	S	S	*	*			trans	-56.1	104.4	165.7	-116.1	179.9	-169.7	176.5	3	107.4	F225	R223-F225 PolarHBondContact O-N 3.4Å
224	L	33	Very low	38.9	Very low	126 Å²	126	121.1 Å²	121.1	66%	0.66	62%	0.622	S	S	*	*			trans	-70.3	116.3	153	-76.8	165	0	0	0	105.2	R222 S226	R222-L224 PolarHBondContact O-N 2.9Å; L224-S226 PolarHBondContact O-N 3.17Å
225	F	30.6	Very low	39	Very low	199 Å²	199	124.8 Å²	124.8	87%	0.873	62%	0.615	S	S	*	*	S	Bend	trans	-59.4	103	178.3	-90.9	-99.4	0	0	0	109.6	R223	R223-F225 PolarHBondContact O-N 3.4Å
226	S	35.5	Very low	39.1	Very low	84 Å²	84	121.1 Å²	121.1	59%	0.587	61%	0.61	S	S	*	*			trans	-162.9	95.8	134.2	-163.1	0	0	0	0	108	L224 D228	L224-S226 PolarHBondContact O-N 3.17Å; S226-D228 PolarHBondContact O-N 3.18Å; S226-D228 PolarHBondContact OG-OD1 3.43Å
227	T	37	Very low	39.3	Very low	105 Å²	105	126.2 Å²	126.2	64%	0.644	63%	0.626	S	S	*	*			trans	-82.8	92.8	163.7	48.6	0	0	0	0	107.3	N229	T227-N229 PolarHBondContact O-N 3.32Å
228	D	38.9	Very low	39.4	Very low	118 Å²	118	131.4 Å²	131.4	63%	0.631	64%	0.643	S	S	*	*			trans	-66.8	103.8	168.3	-63.5	-16.7	0	0	0	107.8	S226 I230	S226-D228 PolarHBondContact O-N 3.18Å; S226-D228 PolarHBondContact OG-OD1 3.43Å; D228-I230 PolarHBondContact O-N 2.89Å; D228-I230 VanDerWaalsContact O-N 3.08Å
229	N	40.4	Very low	39.6	Very low	109 Å²	109	138.3 Å²	138.3	58%	0.583	66%	0.663	S	S	*	*			trans	-68.9	99.9	169.6	-71	-41.4	0	0	0	107.9	T227 R231 L236	T227-N229 PolarHBondContact O-N 3.32Å; N229-R231 PolarHBondContact O-N 3.04Å; N229-L236 HydrophobicContact CB-CD2 4.41Å; N229-L236 HydrophobicContact CB-CG 4.45Å
230	I	37.8	Very low	39.7	Very low	90 Å²	90	138.7 Å²	138.7	46%	0.462	67%	0.673	S	S	.	*			trans	-81.2	116.8	170.1	-57.9	171.2	0	0	0	107.8	D228 I232	D228-I230 PolarHBondContact O-N 2.89Å; D228-I230 VanDerWaalsContact O-N 3.08Å; I230-I232 HydrophobicContact CG2-CG1 4.13Å; I230-I232 PolarHBondContact O-N 3.37Å
231	R	35.8	Very low	39.9	Very low	199 Å²	199	137.3 Å²	137.3	75%	0.751	67%	0.67	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.3	110.7	174.1	-168.4	174.8	-170.8	164.9	2.9	108.6	N229 G233	N229-R231 PolarHBondContact O-N 3.04Å; R231-G233 VanDerWaalsContact CG-O 3.23Å; R231-G233 WeakPolarHBondContact CG-O 3.31Å
232	I	42.3	Very low	39.9	Very low	120 Å²	120	140 Å²	140	62%	0.615	68%	0.682	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.2	97	168.4	-56.5	178.4	0	0	0	106.3	I230	I230-I232 HydrophobicContact CG2-CG1 4.13Å; I230-I232 PolarHBondContact O-N 3.37Å
233	G	59.1	Low	40.2	Very low	58 Å²	58	137.3 Å²	137.3	60%	0.598	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.5	-141.2	-173.9	0	0	0	0	0	113.7	R231 K235	R231-G233 VanDerWaalsContact CG-O 3.23Å; R231-G233 WeakPolarHBondContact CG-O 3.31Å; G233-K235 VanDerWaalsContact C-N 3.31Å; G233-K235 PolarHBondContact O-N 3.26Å
234	R	54.7	Low	40.4	Very low	253 Å²	253	136.3 Å²	136.3	96%	0.955	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	4.8	179	-72	-172.9	-179.7	-172.8	1	114.6
235	K	43.2	Very low	40.7	Very low	160 Å²	160	133 Å²	133	70%	0.696	66%	0.659	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-122.6	128.5	-175.6	-67	-175.6	179.3	178.5	0	112.1	G233	G233-K235 VanDerWaalsContact C-N 3.31Å; G233-K235 PolarHBondContact O-N 3.26Å
236	L	45	Very low	41	Very low	125 Å²	125	128 Å²	128	65%	0.654	65%	0.649	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-72.9	123.1	169.4	-124	79.1	0	0	0	108.9	N229	N229-L236 HydrophobicContact CB-CD2 4.41Å; N229-L236 HydrophobicContact CB-CG 4.45Å
237	K	41.6	Very low	41.1	Very low	153 Å²	153	135.2 Å²	135.2	67%	0.665	66%	0.663	S	S	*	*			trans	-119.4	130.4	172.4	-74	-170.1	176.1	-177.5	0	110.6
238	R	42.7	Very low	41.3	Very low	238 Å²	238	132.7 Å²	132.7	90%	0.898	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-78.7	116.4	169.1	-71.4	-179	175.2	168.4	1.4	108.7
239	K	40.7	Very low	41.4	Very low	178 Å²	178	138.5 Å²	138.5	77%	0.774	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-86.8	131.5	169.9	-136.9	177.4	-177.5	-176.3	0	108.8
240	A	39.7	Very low	41.2	Very low	77 Å²	77	135.7 Å²	135.7	64%	0.636	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-63.8	134.4	-179.8	0	0	0	0	0	110.8	S242	A240-S242 PolarHBondContact O-N 3Å
241	A	39.8	Very low	41.1	Very low	52 Å²	52	137.5 Å²	137.5	43%	0.43	67%	0.668	S	S	.	*	G	3₁₀ helix	trans	-75.2	-2.4	-173.9	0	0	0	0	0	114.9	F217 E243	F217-A241 HydrophobicContact CE1-CB 4.09Å; F217-A241 HydrophobicContact CE2-CB 3.81Å; F217-A241 HydrophobicContact CZ-CB 3.5Å; A241-E243 VanDerWaalsContact C-N 3.32Å; A241-E243 PolarHBondContact O-N 3.46Å
242	S	36.5	Very low	41.3	Very low	102 Å²	102	131.7 Å²	131.7	71%	0.713	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-80.2	-6.1	-171	52.9	0	0	0	0	114.9	A240	A240-S242 PolarHBondContact O-N 3Å
243	E	36.5	Very low	41	Very low	151 Å²	151	129.8 Å²	129.8	71%	0.706	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-96.5	-4.3	-172.4	-126.9	172.4	-167	0	0	114.5	A241	A241-E243 VanDerWaalsContact C-N 3.32Å; A241-E243 PolarHBondContact O-N 3.46Å
244	R	36.7	Very low	40.1	Very low	165 Å²	165	130.9 Å²	130.9	62%	0.623	65%	0.645	S	S	*	*	S	Bend	trans	-102	-6.3	-174.7	-74.1	-174.5	-178	169.1	0.2	115.5	S246	R244-S246 VanDerWaalsContact C-N 3.34Å; R244-S246 PolarHBondContact O-N 3.19Å
245	V	40.5	Very low	39.6	Very low	56 Å²	56	121.1 Å²	121.1	34%	0.339	62%	0.616	S	S	.	*	G	3₁₀ helix	trans	-74.5	-24	-172.8	-176.8	0	0	0	0	112.5	R247	V245-R247 PolarHBondContact O-N 3.49Å
246	S	36.4	Very low	39.7	Very low	96 Å²	96	118.1 Å²	118.1	67%	0.671	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-79	-5.8	-172	57.3	0	0	0	0	116.3	R244	R244-S246 VanDerWaalsContact C-N 3.34Å; R244-S246 PolarHBondContact O-N 3.19Å
247	R	38.2	Very low	39.5	Very low	235 Å²	235	118.2 Å²	118.2	89%	0.887	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-123.6	2.5	-172.3	-67.8	-174.9	179	170.3	0.2	116.2	V245	V245-R247 PolarHBondContact O-N 3.49Å
248	C	40.8	Very low	39.6	Very low	52 Å²	52	115 Å²	115	35%	0.351	59%	0.591	S	S	.	*			trans	-89	127.4	177.1	144.6	0	0	0	0	110.8	C216 C250	C216-C248 VanDerWaalsContact SG-SG 3.65Å; C248-C250 WeakPolarHBondContact CB-SG 3.42Å; C248-C250 PolarHBondContact O-N 3.04Å; C248-C250 WeakPolarHBondContact SG-CB 3.47Å; C248-C250 PolarHBondContact SG-N 3.32Å; C248-C250 CovalentContact SG-SG 2.06Å; C248-C250 PolarHBondContact SG-SG 2.92Å
249	R	40.1	Very low	39.7	Very low	240 Å²	240	106.4 Å²	106.4	91%	0.906	56%	0.559	S	S	*	*			trans	-87	20.7	171.9	-71.6	-175.5	174.2	-177.9	-2.3	112.7
250	C	36.7	Very low	40.1	Very low	50 Å²	50	104.1 Å²	104.1	34%	0.338	55%	0.549	S	S	.	.			trans	-86	136.8	-172	-18.1	0	0	0	0	109.4	C216 C248 I252	C216-C250 PolarHBondContact SG-SG 3.34Å; C248-C250 WeakPolarHBondContact CB-SG 3.42Å; C248-C250 PolarHBondContact O-N 3.04Å; C248-C250 WeakPolarHBondContact SG-CB 3.47Å; C248-C250 PolarHBondContact SG-N 3.32Å; C248-C250 CovalentContact SG-SG 2.06Å; C248-C250 PolarHBondContact SG-SG 2.92Å; C250-I252 PolarHBondContact O-N 2.97Å
251	P	36.5	Very low	40.4	Very low	128 Å²	128	102.8 Å²	102.8	83%	0.831	54%	0.538	S	S	*	.			trans	-58.7	132.6	175.5	23.1	-30.5	0	0	0	109.7	A253	P251-A253 PolarHBondContact O-N 2.94Å
252	I	39.3	Very low	40.6	Very low	76 Å²	76	103.8 Å²	103.8	39%	0.39	54%	0.535	S	S	.	.			trans	-70.2	115.9	-177.6	-62.3	163.7	0	0	0	107.8	N164 V219 C250 L254	N164-I252 HydrophobicContact CB-CD1 4.2Å; N164-I252 WeakPolarHBondContact ND2-CD1 3.38Å; V219-I252 HydrophobicContact CG2-CG2 4.1Å; C250-I252 PolarHBondContact O-N 2.97Å; I252-L254 HydrophobicContact CG2-CD2 4.24Å; I252-L254 PolarHBondContact O-N 2.83Å
253	A	36.4	Very low	41	Very low	80 Å²	80	102.7 Å²	102.7	66%	0.661	52%	0.521	S	S	*	.			trans	-69.8	102.3	170.8	0	0	0	0	0	109.1	P251	P251-A253 PolarHBondContact O-N 2.94Å
254	L	40.3	Very low	41.5	Very low	82 Å²	82	98.9 Å²	98.9	43%	0.429	52%	0.515	S	S	.	.			trans	-70	143.5	169.6	-61.3	177.1	0	0	0	109	I252 F258 I262	I252-L254 HydrophobicContact CG2-CD2 4.24Å; I252-L254 PolarHBondContact O-N 2.83Å; L254-F258 HydrophobicContact CB-CD1 4.15Å; L254-F258 HydrophobicContact CD1-CD1 4.06Å; L254-F258 HydrophobicContact CD1-CE1 4.29Å; L254-F258 HydrophobicContact CD2-CD1 3.77Å; L254-F258 HydrophobicContact CD2-CE1 3.9Å; L254-F258 HydrophobicContact CG-CD1 4.2Å; L254-I262 HydrophobicContact CD1-CD1 3.9Å
255	S	43.3	Very low	41.8	Very low	47 Å²	47	96.6 Å²	96.6	33%	0.329	52%	0.52	S	S	.	.			trans	-64.6	146.5	175.3	70.5	0	0	0	0	110.5	N257 F258 R259	S255-N257 PolarHBondContact O-N 3.18Å; S255-N257 VanDerWaalsContact O-N 3.08Å; S255-F258 CarbonylContact O-C 3.59Å; S255-F258 WeakPolarHBondContact O-CA 3.31Å; S255-F258 WeakPolarHBondContact O-CB 3.28Å; S255-F258 PolarHBondContact O-N 3.46Å; S255-F258 WeakPolarHBondContact OG-CB 3.34Å; S255-F258 PolarHBondContact OG-N 3.02Å; S255-R259 PolarHBondContact O-N 3.03Å
256	E	46.4	Very low	41.7	Very low	97 Å²	97	95.2 Å²	95.2	45%	0.453	51%	0.514	S	S	.	.	H	α-helix	trans	-53.3	-35.5	-179.9	-159.3	62.3	-140.8	0	0	112.1	R259 K260	E256-R259 WeakPolarHBondContact O-CB 3.45Å; E256-R259 PolarHBondContact O-N 2.78Å; E256-R259 IonicContact OE1-CZ 3.99Å; E256-R259 IonicContact OE1-NE 3.31Å; E256-R259 PolarHBondContact OE1-NE 3.41Å; E256-R259 IonicContact OE1-NH2 3.72Å; E256-K260 WeakPolarHBondContact O-CB 3.24Å; E256-K260 VanDerWaalsContact O-CG 3.25Å; E256-K260 WeakPolarHBondContact O-CG 3.48Å; E256-K260 PolarHBondContact O-N 3.43Å
257	N	40	Very low	41.6	Very low	128 Å²	128	97 Å²	97	68%	0.684	52%	0.516	S	S	*	.	H	α-helix	trans	-68.3	-38.3	177	-65.7	-10.8	0	0	0	112.5	S255 A261	S255-N257 PolarHBondContact O-N 3.18Å; S255-N257 VanDerWaalsContact O-N 3.08Å; N257-A261 WeakPolarHBondContact O-CB 3.49Å; N257-A261 PolarHBondContact O-N 2.8Å
258	F	43.8	Very low	42.1	Very low	84 Å²	84	90 Å²	90	37%	0.368	50%	0.504	S	S	.	.	H	α-helix	trans	-73.6	-35	176	-167.3	-104.2	0	0	0	111.2	L254 S255 A261 I262	L254-F258 HydrophobicContact CB-CD1 4.15Å; L254-F258 HydrophobicContact CD1-CD1 4.06Å; L254-F258 HydrophobicContact CD1-CE1 4.29Å; L254-F258 HydrophobicContact CD2-CD1 3.77Å; L254-F258 HydrophobicContact CD2-CE1 3.9Å; L254-F258 HydrophobicContact CG-CD1 4.2Å; S255-F258 CarbonylContact O-C 3.59Å; S255-F258 WeakPolarHBondContact O-CA 3.31Å; S255-F258 WeakPolarHBondContact O-CB 3.28Å; S255-F258 PolarHBondContact O-N 3.46Å; S255-F258 WeakPolarHBondContact OG-CB 3.34Å; S255-F258 PolarHBondContact OG-N 3.02Å; F258-A261 PolarHBondContact O-N 2.91Å; F258-I262 HydrophobicContact CD1-CD1 3.6Å; F258-I262 HydrophobicContact CD1-CG1 4.32Å; F258-I262 HydrophobicContact CE1-CD1 3.41Å; F258-I262 VanDerWaalsContact CE1-CD1 3.41Å; F258-I262 HydrophobicContact CE1-CG1 4.18Å; F258-I262 HydrophobicContact CZ-CD1 4.19Å; F258-I262 WeakPolarHBondContact O-CG1 3.36Å; F258-I262 PolarHBondContact O-N 2.75Å
259	R	45.2	Very low	42.4	Very low	59 Å²	59	90.8 Å²	90.8	22%	0.223	51%	0.51	C	S	.	.	H	α-helix	trans	-62.4	-47.3	172.1	-155.7	175.4	96.4	108.9	-5.7	110.9	S255 E256 I262 L263	S255-R259 PolarHBondContact O-N 3.03Å; E256-R259 WeakPolarHBondContact O-CB 3.45Å; E256-R259 PolarHBondContact O-N 2.78Å; E256-R259 IonicContact OE1-CZ 3.99Å; E256-R259 IonicContact OE1-NE 3.31Å; E256-R259 PolarHBondContact OE1-NE 3.41Å; E256-R259 IonicContact OE1-NH2 3.72Å; R259-I262 PolarHBondContact O-N 3.44Å; R259-L263 HydrophobicContact CG-CD1 4.26Å; R259-L263 WeakPolarHBondContact O-CB 3.4Å; R259-L263 WeakPolarHBondContact O-CD1 3.37Å; R259-L263 WeakPolarHBondContact O-CG 3.42Å; R259-L263 PolarHBondContact O-N 3.47Å
260	K	48.9	Very low	42.7	Very low	129 Å²	129	83.4 Å²	83.4	56%	0.561	49%	0.487	S	S	*	.	H	α-helix	trans	-62.8	-38.2	173.4	-75.4	176.7	178.6	-175.5	0	112.5	E256 L263 A264	E256-K260 WeakPolarHBondContact O-CB 3.24Å; E256-K260 VanDerWaalsContact O-CG 3.25Å; E256-K260 WeakPolarHBondContact O-CG 3.48Å; E256-K260 PolarHBondContact O-N 3.43Å; K260-L263 PolarHBondContact O-N 3.4Å; K260-A264 WeakPolarHBondContact O-CB 3.41Å; K260-A264 PolarHBondContact O-N 3.22Å
261	A	46.4	Very low	43.1	Very low	49 Å²	49	82.3 Å²	82.3	41%	0.405	48%	0.482	S	S	.	.	H	α-helix	trans	-65	-47.5	175.7	0	0	0	0	0	111.6	N257 F258 L263 A264 T265	N257-A261 WeakPolarHBondContact O-CB 3.49Å; N257-A261 PolarHBondContact O-N 2.8Å; F258-A261 PolarHBondContact O-N 2.91Å; A261-L263 VanDerWaalsContact C-N 3.35Å; A261-L263 PolarHBondContact O-N 3.47Å; A261-A264 PolarHBondContact O-N 3.04Å; A261-T265 PolarHBondContact O-N 2.91Å; A261-T265 PolarHBondContact O-OG1 2.79Å
262	I	43.5	Very low	43.7	Very low	73 Å²	73	79.4 Å²	79.4	37%	0.374	47%	0.468	S	S	.	.	H	α-helix	trans	-59.2	-47	174.6	-69.9	167.9	0	0	0	110.5	L254 F258 R259 A264 T265 A266	L254-I262 HydrophobicContact CD1-CD1 3.9Å; F258-I262 HydrophobicContact CD1-CD1 3.6Å; F258-I262 HydrophobicContact CD1-CG1 4.32Å; F258-I262 HydrophobicContact CE1-CD1 3.41Å; F258-I262 VanDerWaalsContact CE1-CD1 3.41Å; F258-I262 HydrophobicContact CE1-CG1 4.18Å; F258-I262 HydrophobicContact CZ-CD1 4.19Å; F258-I262 WeakPolarHBondContact O-CG1 3.36Å; F258-I262 PolarHBondContact O-N 2.75Å; R259-I262 PolarHBondContact O-N 3.44Å; I262-A264 VanDerWaalsContact C-N 3.32Å; I262-A264 PolarHBondContact O-N 3.24Å; I262-T265 WeakPolarHBondContact CA-OG1 3.36Å; I262-T265 PolarHBondContact O-N 3.21Å; I262-T265 PolarHBondContact O-OG1 2.85Å; I262-A266 WeakPolarHBondContact O-CB 3.49Å; I262-A266 PolarHBondContact O-N 2.85Å
263	L	44.4	Very low	44.3	Very low	79 Å²	79	78 Å²	78	41%	0.414	46%	0.464	S	S	.	.	H	α-helix	trans	-65.9	-32.2	179.4	-71.2	168	0	0	0	112.7	R259 K260 A261	R259-L263 HydrophobicContact CG-CD1 4.26Å; R259-L263 WeakPolarHBondContact O-CB 3.4Å; R259-L263 WeakPolarHBondContact O-CD1 3.37Å; R259-L263 WeakPolarHBondContact O-CG 3.42Å; R259-L263 PolarHBondContact O-N 3.47Å; K260-L263 PolarHBondContact O-N 3.4Å; A261-L263 VanDerWaalsContact C-N 3.35Å; A261-L263 PolarHBondContact O-N 3.47Å
264	A	48.4	Very low	44.7	Very low	71 Å²	71	79.8 Å²	79.8	59%	0.587	46%	0.457	S	S	*	.	H	α-helix	trans	-79.4	-23.8	176.3	0	0	0	0	0	113.2	K260 A261 I262	K260-A264 WeakPolarHBondContact O-CB 3.41Å; K260-A264 PolarHBondContact O-N 3.22Å; A261-A264 PolarHBondContact O-N 3.04Å; I262-A264 VanDerWaalsContact C-N 3.32Å; I262-A264 PolarHBondContact O-N 3.24Å
265	T	42.8	Very low	45.1	Very low	118 Å²	118	79 Å²	79	72%	0.724	45%	0.453	S	S	*	.	H	α-helix	trans	-88.1	-20.7	171.4	47.5	0	0	0	0	112.9	A261 I262 D267	A261-T265 PolarHBondContact O-N 2.91Å; A261-T265 PolarHBondContact O-OG1 2.79Å; I262-T265 WeakPolarHBondContact CA-OG1 3.36Å; I262-T265 PolarHBondContact O-N 3.21Å; I262-T265 PolarHBondContact O-OG1 2.85Å; T265-D267 VanDerWaalsContact C-N 3.27Å; T265-D267 PolarHBondContact O-N 2.91Å
266	A	37.6	Very low	45.8	Very low	26 Å²	26	85.1 Å²	85.1	22%	0.215	47%	0.473	C	S	.	.			trans	-95.2	54.3	-178.8	0	0	0	0	0	110.7	I262 A271	I262-A266 WeakPolarHBondContact O-CB 3.49Å; I262-A266 PolarHBondContact O-N 2.85Å; A266-A271 HydrophobicContact CB-CB 3.86Å
267	D	35.2	Very low	46	Very low	133 Å²	133	87.1 Å²	87.1	71%	0.711	48%	0.482	S	S	*	.			trans	-72.5	133.2	157.4	-72.9	-32.9	0	0	0	107.7	T265	T265-D267 VanDerWaalsContact C-N 3.27Å; T265-D267 PolarHBondContact O-N 2.91Å
268	S	47.7	Very low	46	Very low	89 Å²	89	84.3 Å²	84.3	62%	0.622	47%	0.467	S	S	*	.	S	Bend	trans	83.6	134.1	-177.6	86.8	0	0	0	0	116.7	I270	S268-I270 PolarHBondContact O-N 2.82Å
269	S	47.1	Very low	46.2	Very low	68 Å²	68	85.8 Å²	85.8	48%	0.476	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	29.2	-46	164.6	68.3	0	0	0	0	120.6	A271 A272 T273	S269-A271 PolarHBondContact O-N 2.78Å; S269-A272 WeakPolarHBondContact O-CB 3.34Å; S269-A272 PolarHBondContact O-N 3.44Å; S269-T273 PolarHBondContact O-N 2.99Å; S269-T273 PolarHBondContact O-OG1 2.84Å
270	I	46.1	Very low	46.3	Very low	86 Å²	86	92.5 Å²	92.5	44%	0.441	52%	0.516	S	S	.	.	H	α-helix	trans	-59.8	-43.9	-176.6	-58.8	170.8	0	0	0	112	P151 T153 S268 T273 F274	P151-I270 HydrophobicContact CB-CG1 4.49Å; T153-I270 HydrophobicContact CG2-CG2 4.45Å; S268-I270 PolarHBondContact O-N 2.82Å; I270-T273 PolarHBondContact O-N 2.87Å; I270-F274 WeakPolarHBondContact O-CB 3.23Å; I270-F274 PolarHBondContact O-N 3.36Å
271	A	45.4	Very low	45.8	Very low	26 Å²	26	89.2 Å²	89.2	22%	0.215	51%	0.507	C	S	.	.	H	α-helix	trans	-63.8	-41.5	175.6	0	0	0	0	0	112.1	A266 S269 F274 L275	A266-A271 HydrophobicContact CB-CB 3.86Å; S269-A271 PolarHBondContact O-N 2.78Å; A271-F274 PolarHBondContact O-N 3.35Å; A271-L275 VanDerWaalsContact O-CG 3.31Å; A271-L275 WeakPolarHBondContact O-CG 3.36Å; A271-L275 PolarHBondContact O-N 3.41Å; A271-L275 VanDerWaalsContact O-N 3.12Å
272	A	49.5	Very low	45.2	Very low	67 Å²	67	92 Å²	92	55%	0.554	52%	0.524	S	S	*	.	H	α-helix	trans	-65.7	-41.8	179	0	0	0	0	0	111.7	S269 L275 K276	S269-A272 WeakPolarHBondContact O-CB 3.34Å; S269-A272 PolarHBondContact O-N 3.44Å; A272-L275 PolarHBondContact O-N 3.33Å; A272-K276 PolarHBondContact O-N 3.03Å
273	T	51.6	Low	44.9	Very low	48 Å²	48	93.9 Å²	93.9	29%	0.294	53%	0.529	S	S	.	.	H	α-helix	trans	-65.2	-41.4	176.3	-48.7	0	0	0	0	111.6	S269 I270 L275 K276 H277	S269-T273 PolarHBondContact O-N 2.99Å; S269-T273 PolarHBondContact O-OG1 2.84Å; I270-T273 PolarHBondContact O-N 2.87Å; T273-L275 VanDerWaalsContact C-N 3.32Å; T273-L275 PolarHBondContact O-N 3.14Å; T273-K276 WeakPolarHBondContact O-CB 3.37Å; T273-K276 PolarHBondContact O-N 3.01Å; T273-H277 PolarHBondContact O-CD2 3.34Å; T273-H277 VanDerWaalsContact O-CD2 3.29Å; T273-H277 PolarHBondContact O-N 3.16Å
274	F	45.4	Very low	44.3	Very low	116 Å²	116	96.5 Å²	96.5	51%	0.509	58%	0.575	S	S	.	*	H	α-helix	trans	-61.1	-40.6	176.3	-176.9	-94.7	0	0	0	112.4	I270 A271 H277 N278	I270-F274 WeakPolarHBondContact O-CB 3.23Å; I270-F274 PolarHBondContact O-N 3.36Å; A271-F274 PolarHBondContact O-N 3.35Å; F274-H277 PolarHBondContact O-N 2.76Å; F274-N278 HydrophobicContact CE1-CB 4.48Å; F274-N278 WeakPolarHBondContact O-CB 3.15Å; F274-N278 PolarHBondContact O-N 2.92Å; F274-N278 VanDerWaalsContact O-N 3.11Å; F274-N278 PolarHBondContact O-ND2 3.36Å
275	L	48.5	Very low	44.1	Very low	67 Å²	67	97.8 Å²	97.8	35%	0.351	58%	0.575	S	S	.	*	H	α-helix	trans	-70.3	-35.9	177.5	-67	177	0	0	0	112.8	A271 A272 T273 H277 N278 F283	A271-L275 VanDerWaalsContact O-CG 3.31Å; A271-L275 WeakPolarHBondContact O-CG 3.36Å; A271-L275 PolarHBondContact O-N 3.41Å; A271-L275 VanDerWaalsContact O-N 3.12Å; A272-L275 PolarHBondContact O-N 3.33Å; T273-L275 VanDerWaalsContact C-N 3.32Å; T273-L275 PolarHBondContact O-N 3.14Å; L275-H277 VanDerWaalsContact C-N 3.27Å; L275-H277 PolarHBondContact O-N 3.09Å; L275-N278 PolarHBondContact O-N 3.06Å; L275-F283 HydrophobicContact CD1-CE2 4.13Å; L275-F283 HydrophobicContact CD1-CZ 3.89Å; L275-F283 HydrophobicContact CD2-CE2 3.62Å; L275-F283 HydrophobicContact CD2-CZ 3.59Å; L275-F283 HydrophobicContact CG-CZ 4.39Å
276	K	57.6	Low	44.2	Very low	175 Å²	175	96.7 Å²	96.7	76%	0.761	57%	0.567	S	S	*	*	H	α-helix	trans	-60.4	-36.4	173.6	-167.4	178.7	-178.5	-178.1	0	112.2	A272 T273	A272-K276 PolarHBondContact O-N 3.03Å; T273-K276 WeakPolarHBondContact O-CB 3.37Å; T273-K276 PolarHBondContact O-N 3.01Å
277	H	50.7	Low	44.5	Very low	139 Å²	139	100.7 Å²	100.7	64%	0.644	59%	0.587	S	S	*	*	H	α-helix	trans	-91.6	-9.3	-178.7	-75.1	-72.4	0	0	0	114.8	T273 F274 L275 P279	T273-H277 PolarHBondContact O-CD2 3.34Å; T273-H277 VanDerWaalsContact O-CD2 3.29Å; T273-H277 PolarHBondContact O-N 3.16Å; F274-H277 PolarHBondContact O-N 2.76Å; L275-H277 VanDerWaalsContact C-N 3.27Å; L275-H277 PolarHBondContact O-N 3.09Å; H277-P279 VanDerWaalsContact C-CD 3.49Å; H277-P279 WeakPolarHBondContact O-CD 3.34Å
278	N	40	Very low	45.1	Very low	68 Å²	68	98.8 Å²	98.8	36%	0.364	58%	0.579	S	S	.	*			trans	-127.5	67.5	-178.8	-65.9	-83.1	0	0	0	112.2	F274 L275 K280 V281	F274-N278 HydrophobicContact CE1-CB 4.48Å; F274-N278 WeakPolarHBondContact O-CB 3.15Å; F274-N278 PolarHBondContact O-N 2.92Å; F274-N278 VanDerWaalsContact O-N 3.11Å; F274-N278 PolarHBondContact O-ND2 3.36Å; L275-N278 PolarHBondContact O-N 3.06Å; N278-K280 PolarHBondContact O-N 3.16Å; N278-V281 HydrophobicContact CB-CG2 3.86Å; N278-V281 WeakPolarHBondContact O-CG2 3.41Å; N278-V281 PolarHBondContact O-N 3.18Å; N278-V281 VanDerWaalsContact O-N 3.08Å
279	P	47.6	Very low	44.9	Very low	115 Å²	115	99.4 Å²	99.4	75%	0.747	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-9.2	-175.6	26.7	-35.3	0	0	0	114.3	H277 V281	H277-P279 VanDerWaalsContact C-CD 3.49Å; H277-P279 WeakPolarHBondContact O-CD 3.34Å; P279-V281 VanDerWaalsContact C-N 3.32Å
280	K	47.3	Very low	44.8	Very low	201 Å²	201	101.5 Å²	101.5	87%	0.874	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-0.4	176.9	-64.5	-177.3	179.7	177.3	0	113.6	N278 S282	N278-K280 PolarHBondContact O-N 3.16Å; K280-S282 PolarHBondContact O-N 3.21Å; K280-S282 VanDerWaalsContact O-N 3.16Å
281	V	39.7	Very low	44.7	Very low	60 Å²	60	102.6 Å²	102.6	36%	0.364	59%	0.593	S	S	.	*			trans	-83.4	84.4	172.5	-177.2	0	0	0	0	107.6	N278 P279 F283	N278-V281 HydrophobicContact CB-CG2 3.86Å; N278-V281 WeakPolarHBondContact O-CG2 3.41Å; N278-V281 PolarHBondContact O-N 3.18Å; N278-V281 VanDerWaalsContact O-N 3.08Å; P279-V281 VanDerWaalsContact C-N 3.32Å; V281-F283 HydrophobicContact CG1-CE2 4.47Å
282	S	33	Very low	44.6	Very low	108 Å²	108	108.5 Å²	108.5	76%	0.755	62%	0.623	S	S	*	*			trans	-74.8	124.4	173.9	61.5	0	0	0	0	110.1	K280 G284	K280-S282 PolarHBondContact O-N 3.21Å; K280-S282 VanDerWaalsContact O-N 3.16Å; S282-G284 PolarHBondContact O-N 2.7Å
283	F	36.7	Very low	44.2	Very low	111 Å²	111	111.9 Å²	111.9	49%	0.487	63%	0.628	S	S	.	*			trans	-81.6	107.9	168	-65.5	-99	0	0	0	108.1	L275 V281	L275-F283 HydrophobicContact CD1-CE2 4.13Å; L275-F283 HydrophobicContact CD1-CZ 3.89Å; L275-F283 HydrophobicContact CD2-CE2 3.62Å; L275-F283 HydrophobicContact CD2-CZ 3.59Å; L275-F283 HydrophobicContact CG-CZ 4.39Å; V281-F283 HydrophobicContact CG1-CE2 4.47Å
284	G	32.6	Very low	43.5	Very low	135 Å²	135	117.7 Å²	117.7	100%	1.392	66%	0.659	S	S	*	*			trans	-99.4	0	160.4	0	0	0	0	0	110.2	S282	S282-G284 PolarHBondContact O-N 2.7Å

Retrieved 284 of 284 residues in 122.6 ms (Link to these results)

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