A0A077Z507_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z507, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 247 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	45.9	Very low	41.3	Very low	244 Å²	244	146.6 Å²	146.6	100%	1.202	85%	0.852	S	S	*	*				0	126.6	0	-75.5	-176.7	165.6	0	0	107.8
2	Q	34.4	Very low	41.4	Very low	184 Å²	184	144.4 Å²	144.4	86%	0.86	85%	0.846	S	S	*	*			trans	-68.8	136.9	166.5	-78.4	165	-18.1	0	0	108.8
3	S	51.6	Low	41.4	Very low	124 Å²	124	141.1 Å²	141.1	87%	0.867	84%	0.836	S	S	*	*			trans	-129.4	109.4	152.7	-72.2	0	0	0	0	107.2
4	M	41.3	Very low	41.6	Very low	179 Å²	179	138.4 Å²	138.4	88%	0.882	83%	0.828	S	S	*	*			trans	-75.5	128.4	169.4	-57.8	-152	-58.6	0	0	109.1
5	A	46.7	Very low	41.2	Very low	102 Å²	102	136.2 Å²	136.2	84%	0.843	82%	0.815	S	S	*	*			trans	-151	101.3	155	0	0	0	0	0	103.8
6	G	38	Very low	41.6	Very low	67 Å²	67	133.8 Å²	133.8	69%	0.691	80%	0.801	S	S	*	*			cis	86.8	91.1	33.7	0	0	0	0	0	108.1
7	E	38.4	Very low	41.4	Very low	208 Å²	208	133 Å²	133	97%	0.972	80%	0.797	S	S	*	*			trans	77.3	120.6	155.5	-59.4	-179.2	151.6	0	0	119.1
8	G	36	Very low	41.5	Very low	66 Å²	66	137.7 Å²	137.7	68%	0.68	80%	0.799	S	S	*	*			trans	166.6	37.2	170	0	0	0	0	0	113	Q10	G8-Q10 PolarHBondContact O-N 2.72Å
9	D	39.8	Very low	42	Very low	164 Å²	164	135.1 Å²	135.1	88%	0.877	80%	0.795	S	S	*	*			trans	-64.6	71.3	165.4	-85.9	-32	0	0	0	109.2	S11	D9-S11 PolarHBondContact O-N 3.13Å
10	Q	38.4	Very low	42.5	Very low	181 Å²	181	137.9 Å²	137.9	85%	0.846	80%	0.8	S	S	*	*			trans	-78.8	71.2	155.2	-69.9	-174	0.7	0	0	106.5	G8 P12	G8-Q10 PolarHBondContact O-N 2.72Å; Q10-P12 WeakPolarHBondContact O-CD 3.41Å; Q10-P12 VanDerWaalsContact O-N 3.12Å
11	S	43.4	Very low	43	Very low	94 Å²	94	134.3 Å²	134.3	66%	0.657	78%	0.778	S	S	*	*			trans	-53.8	118.4	157.6	-73	0	0	0	0	105.8	D9 S13	D9-S11 PolarHBondContact O-N 3.13Å; S11-S13 PolarHBondContact O-N 3.35Å
12	P	42.5	Very low	43.7	Very low	120 Å²	120	124.9 Å²	124.9	78%	0.779	74%	0.736	S	S	*	*			trans	-57.7	119.7	-178.2	22.4	-31.1	0	0	0	106.6	Q10 S14	Q10-P12 WeakPolarHBondContact O-CD 3.41Å; Q10-P12 VanDerWaalsContact O-N 3.12Å; P12-S14 PolarHBondContact O-N 2.87Å
13	S	41.8	Very low	45.4	Very low	101 Å²	101	121.9 Å²	121.9	71%	0.706	73%	0.733	S	S	*	*			trans	-36.9	112.9	164.2	167.2	0	0	0	0	106.7	S11 V15	S11-S13 PolarHBondContact O-N 3.35Å; S13-V15 PolarHBondContact O-N 2.93Å
14	S	44.3	Very low	46	Very low	104 Å²	104	120.1 Å²	120.1	73%	0.727	72%	0.721	S	S	*	*			trans	-63.9	83.5	176.8	160.6	0	0	0	0	106.3	P12 V16	P12-S14 PolarHBondContact O-N 2.87Å; S14-V16 PolarHBondContact O-N 3.37Å
15	V	36.2	Very low	47	Very low	105 Å²	105	116.3 Å²	116.3	64%	0.636	70%	0.701	S	S	*	*			trans	-62.5	99.6	167.2	177.9	0	0	0	0	104.1	S13 T17	S13-V15 PolarHBondContact O-N 2.93Å; V15-T17 PolarHBondContact O-N 2.81Å; V15-T17 PolarHBondContact O-OG1 3.23Å
16	V	46.9	Very low	48	Very low	97 Å²	97	113.4 Å²	113.4	59%	0.588	68%	0.676	S	S	*	*			trans	-55.5	92.6	166	173.8	0	0	0	0	105.4	S14 W18	S14-V16 PolarHBondContact O-N 3.37Å; V16-W18 VanDerWaalsContact C-N 3.31Å; V16-W18 PolarHBondContact O-N 2.93Å; V16-W18 VanDerWaalsContact O-N 3.1Å
17	T	37.6	Very low	49.5	Very low	121 Å²	121	119.8 Å²	119.8	74%	0.742	68%	0.679	S	S	*	*			trans	-77.6	96.9	171.2	6.7	0	0	0	0	103	V15 A19	V15-T17 PolarHBondContact O-N 2.81Å; V15-T17 PolarHBondContact O-OG1 3.23Å; T17-A19 PolarHBondContact O-N 3Å
18	W	44.5	Very low	50.9	Low	217 Å²	217	114.8 Å²	114.8	82%	0.822	66%	0.659	S	S	*	*			trans	-45.1	115.3	167	-63.1	93.6	0	0	0	106.2	V16 E20	V16-W18 VanDerWaalsContact C-N 3.31Å; V16-W18 PolarHBondContact O-N 2.93Å; V16-W18 VanDerWaalsContact O-N 3.1Å; W18-E20 PolarHBondContact O-N 3.11Å
19	A	50.3	Low	52.3	Low	89 Å²	89	114.2 Å²	114.2	74%	0.736	64%	0.64	S	S	*	*			trans	-45.9	121.2	177.7	0	0	0	0	0	106.4	T17 D21	T17-A19 PolarHBondContact O-N 3Å; A19-D21 PolarHBondContact O-N 2.82Å
20	E	51.1	Low	53.7	Low	190 Å²	190	114.4 Å²	114.4	89%	0.888	63%	0.629	S	S	*	*			trans	-47.2	114.1	-178.2	-69.9	-176.8	154.1	0	0	107.4	W18 S22	W18-E20 PolarHBondContact O-N 3.11Å; E20-S22 PolarHBondContact O-N 3.15Å
21	D	53.3	Low	55.1	Low	63 Å²	63	113.4 Å²	113.4	34%	0.337	62%	0.621	S	S	.	*			trans	-43.2	120.1	-179.9	-86.5	-13.7	0	0	0	106.9	A19 E25 A26 N29	A19-D21 PolarHBondContact O-N 2.82Å; D21-E25 HydrophobicContact CB-CB 4.32Å; D21-E25 HydrophobicContact CB-CG 4.44Å; D21-A26 HydrophobicContact CB-CB 3.75Å; D21-N29 PolarHBondContact OD1-ND2 2.84Å; D21-N29 PolarHBondContact OD2-ND2 2.74Å
22	S	60.4	Low	56.1	Low	47 Å²	47	113.6 Å²	113.6	33%	0.329	61%	0.613	S	S	.	*			trans	-50.4	147.6	175.3	63.8	0	0	0	0	108.6	E20 S24 E25 A26	E20-S22 PolarHBondContact O-N 3.15Å; S22-S24 CarbonylContact O-C 3.59Å; S22-S24 PolarHBondContact O-N 2.83Å; S22-S24 PolarHBondContact OG-OG 2.74Å; S22-S24 VanDerWaalsContact OG-OG 3.06Å; S22-E25 CarbonylContact O-C 3.58Å; S22-E25 WeakPolarHBondContact O-CA 3.37Å; S22-E25 WeakPolarHBondContact O-CB 3.38Å; S22-E25 PolarHBondContact O-N 2.84Å; S22-E25 VanDerWaalsContact OG-CB 3.24Å; S22-E25 WeakPolarHBondContact OG-CB 3.42Å; S22-E25 PolarHBondContact OG-N 2.93Å; S22-A26 PolarHBondContact O-N 2.91Å
23	P	70.4	Confident	57.1	Low	120 Å²	120	115.4 Å²	115.4	78%	0.779	61%	0.605	S	S	*	*	H	α-helix	trans	-52.4	-28.7	-175.3	-29.2	34.3	0	0	0	114.2	R27	P23-R27 VanDerWaalsContact O-CB 3.31Å; P23-R27 WeakPolarHBondContact O-CB 3.17Å; P23-R27 PolarHBondContact O-N 2.97Å
24	S	65	Low	58.2	Low	88 Å²	88	117.3 Å²	117.3	62%	0.615	60%	0.6	S	S	*	*	H	α-helix	trans	-68.6	-44.3	170.8	37.5	0	0	0	0	113.8	S22 R27 L28	S22-S24 CarbonylContact O-C 3.59Å; S22-S24 PolarHBondContact O-N 2.83Å; S22-S24 PolarHBondContact OG-OG 2.74Å; S22-S24 VanDerWaalsContact OG-OG 3.06Å; S24-R27 PolarHBondContact O-N 3.23Å; S24-L28 PolarHBondContact O-N 3.13Å
25	E	61.6	Low	58.9	Low	99 Å²	99	118.6 Å²	118.6	46%	0.463	59%	0.593	S	S	.	*	H	α-helix	trans	-72.7	-40.8	-179.7	-169.9	167.2	-160.1	0	0	111.5	D21 S22 R27 L28 N29	D21-E25 HydrophobicContact CB-CB 4.32Å; D21-E25 HydrophobicContact CB-CG 4.44Å; S22-E25 CarbonylContact O-C 3.58Å; S22-E25 WeakPolarHBondContact O-CA 3.37Å; S22-E25 WeakPolarHBondContact O-CB 3.38Å; S22-E25 PolarHBondContact O-N 2.84Å; S22-E25 VanDerWaalsContact OG-CB 3.24Å; S22-E25 WeakPolarHBondContact OG-CB 3.42Å; S22-E25 PolarHBondContact OG-N 2.93Å; E25-R27 PolarHBondContact O-N 2.91Å; E25-L28 PolarHBondContact O-N 3.38Å; E25-L28 VanDerWaalsContact O-N 3.11Å; E25-N29 WeakPolarHBondContact O-CB 3.49Å; E25-N29 PolarHBondContact O-N 2.76Å
26	A	67.1	Low	59.9	Low	40 Å²	40	116.9 Å²	116.9	33%	0.331	58%	0.58	S	S	.	*	H	α-helix	trans	-59.7	-37.5	173	0	0	0	0	0	111.3	D21 S22 R30	D21-A26 HydrophobicContact CB-CB 3.75Å; S22-A26 PolarHBondContact O-N 2.91Å; A26-R30 VanDerWaalsContact O-CB 3.23Å; A26-R30 WeakPolarHBondContact O-CB 3.49Å; A26-R30 PolarHBondContact O-N 3.39Å
27	R	69.5	Low	60.4	Low	201 Å²	201	117 Å²	117	76%	0.758	58%	0.581	S	S	*	*	H	α-helix	trans	-70.8	-39	176.7	-177.1	173.6	156.5	139.4	-4	111.9	P23 S24 E25 K31	P23-R27 VanDerWaalsContact O-CB 3.31Å; P23-R27 WeakPolarHBondContact O-CB 3.17Å; P23-R27 PolarHBondContact O-N 2.97Å; S24-R27 PolarHBondContact O-N 3.23Å; E25-R27 PolarHBondContact O-N 2.91Å; R27-K31 PolarHBondContact O-N 3.41Å; R27-K31 VanDerWaalsContact O-N 3.11Å
28	L	67.8	Low	61.6	Low	104 Å²	104	118.5 Å²	118.5	55%	0.545	58%	0.577	S	S	.	*	H	α-helix	trans	-65.6	-51	173.7	-175.1	66.3	0	0	0	110.8	S24 E25 R30 K31 M32	S24-L28 PolarHBondContact O-N 3.13Å; E25-L28 PolarHBondContact O-N 3.38Å; E25-L28 VanDerWaalsContact O-N 3.11Å; L28-R30 VanDerWaalsContact C-N 3.29Å; L28-R30 PolarHBondContact O-N 2.92Å; L28-K31 PolarHBondContact O-N 3.01Å; L28-M32 HydrophobicContact CG-CG 4.48Å; L28-M32 WeakPolarHBondContact O-CG 3.46Å; L28-M32 PolarHBondContact O-N 3.16Å
29	N	67.4	Low	62.3	Low	53 Å²	53	114.5 Å²	114.5	28%	0.283	56%	0.562	S	S	.	*	H	α-helix	trans	-56.4	-41.6	176.6	-78.8	-20.8	0	0	0	111.6	D21 E25 K31 R33	D21-N29 PolarHBondContact OD1-ND2 2.84Å; D21-N29 PolarHBondContact OD2-ND2 2.74Å; E25-N29 WeakPolarHBondContact O-CB 3.49Å; E25-N29 PolarHBondContact O-N 2.76Å; N29-K31 PolarHBondContact O-N 3.35Å; N29-R33 VanDerWaalsContact O-CG 3.3Å; N29-R33 WeakPolarHBondContact O-CG 3.34Å; N29-R33 PolarHBondContact O-N 2.89Å
30	R	68.5	Low	62.7	Low	169 Å²	169	113 Å²	113	64%	0.638	55%	0.549	S	S	*	.	H	α-helix	trans	-65.1	-37.3	175	-169.5	175.5	-173.3	-176.3	1.5	112.7	A26 L28 K34	A26-R30 VanDerWaalsContact O-CB 3.23Å; A26-R30 WeakPolarHBondContact O-CB 3.49Å; A26-R30 PolarHBondContact O-N 3.39Å; L28-R30 VanDerWaalsContact C-N 3.29Å; L28-R30 PolarHBondContact O-N 2.92Å; R30-K34 WeakPolarHBondContact O-CG 3.39Å; R30-K34 PolarHBondContact O-N 3.3Å
31	K	67.2	Low	62.9	Low	159 Å²	159	109.5 Å²	109.5	69%	0.691	53%	0.533	S	S	*	.	H	α-helix	trans	-71.7	-41.2	178.9	-166.1	177.7	175.6	-174.2	0	111.4	R27 L28 N29 K34 F35	R27-K31 PolarHBondContact O-N 3.41Å; R27-K31 VanDerWaalsContact O-N 3.11Å; L28-K31 PolarHBondContact O-N 3.01Å; N29-K31 PolarHBondContact O-N 3.35Å; K31-K34 PolarHBondContact O-N 3.44Å; K31-F35 PolarHBondContact O-N 3.04Å
32	M	64.4	Low	63.3	Low	99 Å²	99	112.8 Å²	112.8	49%	0.488	55%	0.549	S	S	.	.	H	α-helix	trans	-62.7	-45.3	175.9	-66.4	-56.2	-68.3	0	0	111.6	L28 K34 F35 D36	L28-M32 HydrophobicContact CG-CG 4.48Å; L28-M32 WeakPolarHBondContact O-CG 3.46Å; L28-M32 PolarHBondContact O-N 3.16Å; M32-K34 VanDerWaalsContact C-N 3.29Å; M32-K34 PolarHBondContact O-N 3.42Å; M32-F35 WeakPolarHBondContact O-CB 3.39Å; M32-F35 PolarHBondContact O-N 3.36Å; M32-D36 PolarHBondContact O-N 3.24Å
33	R	63.3	Low	62.9	Low	158 Å²	158	118 Å²	118	60%	0.596	57%	0.566	S	S	*	*	H	α-helix	trans	-58	-37.9	175.5	-71.2	-179.4	-142	155.1	4.8	113.2	N29 F35 V37	N29-R33 VanDerWaalsContact O-CG 3.3Å; N29-R33 WeakPolarHBondContact O-CG 3.34Å; N29-R33 PolarHBondContact O-N 2.89Å; R33-F35 VanDerWaalsContact C-N 3.34Å; R33-V37 VanDerWaalsContact O-CG2 3.28Å; R33-V37 WeakPolarHBondContact O-CG2 3.32Å; R33-V37 PolarHBondContact O-N 3.33Å; R33-V37 VanDerWaalsContact O-N 3.09Å
34	K	64.6	Low	61.8	Low	140 Å²	140	116.7 Å²	116.7	61%	0.609	56%	0.559	S	S	*	*	H	α-helix	trans	-67.3	-35.1	176.5	-73.3	-174.8	178.5	-167.2	0	112.6	R30 K31 M32 K38	R30-K34 WeakPolarHBondContact O-CG 3.39Å; R30-K34 PolarHBondContact O-N 3.3Å; K31-K34 PolarHBondContact O-N 3.44Å; M32-K34 VanDerWaalsContact C-N 3.29Å; M32-K34 PolarHBondContact O-N 3.42Å; K34-K38 PolarHBondContact O-N 3.25Å
35	F	59.1	Low	61.1	Low	131 Å²	131	116.9 Å²	116.9	58%	0.575	56%	0.558	S	S	*	*	H	α-helix	trans	-70.2	-43.4	176.8	-172.1	-98.6	0	0	0	111.1	K31 M32 R33 V37 K38 R39	K31-F35 PolarHBondContact O-N 3.04Å; M32-F35 WeakPolarHBondContact O-CB 3.39Å; M32-F35 PolarHBondContact O-N 3.36Å; R33-F35 VanDerWaalsContact C-N 3.34Å; F35-V37 PolarHBondContact O-N 3.21Å; F35-K38 PolarHBondContact O-N 2.69Å; F35-R39 WeakPolarHBondContact O-CB 3.42Å; F35-R39 PolarHBondContact O-N 3.12Å
36	D	57.4	Low	60.8	Low	69 Å²	69	117.9 Å²	117.9	37%	0.369	57%	0.565	S	S	.	*	H	α-helix	trans	-64.7	-37.1	178.5	-72.7	-30.5	0	0	0	112.9	M32 R39 A40	M32-D36 PolarHBondContact O-N 3.24Å; D36-R39 PolarHBondContact O-N 2.84Å; D36-R39 IonicContact OD1-CZ 3.64Å; D36-R39 IonicContact OD1-NH2 3.95Å; D36-A40 VanDerWaalsContact O-CB 3.28Å; D36-A40 WeakPolarHBondContact O-CB 3.07Å; D36-A40 PolarHBondContact O-N 3.01Å
37	V	57.9	Low	60.2	Low	100 Å²	100	123.5 Å²	123.5	61%	0.606	58%	0.582	S	S	*	*	H	α-helix	trans	-63.3	-44.9	175.5	171.4	0	0	0	0	111.4	R33 F35 A40 Q41	R33-V37 VanDerWaalsContact O-CG2 3.28Å; R33-V37 WeakPolarHBondContact O-CG2 3.32Å; R33-V37 PolarHBondContact O-N 3.33Å; R33-V37 VanDerWaalsContact O-N 3.09Å; F35-V37 PolarHBondContact O-N 3.21Å; V37-A40 PolarHBondContact O-N 3.44Å; V37-Q41 PolarHBondContact O-N 3.04Å
38	K	63.4	Low	59.6	Low	153 Å²	153	121.8 Å²	121.8	67%	0.665	59%	0.588	S	S	*	*	H	α-helix	trans	-64.4	-42	176.2	-77.6	-167.9	174.5	-167	0	111.8	K34 F35 Q41 I42	K34-K38 PolarHBondContact O-N 3.25Å; F35-K38 PolarHBondContact O-N 2.69Å; K38-Q41 PolarHBondContact O-N 3.43Å; K38-I42 WeakPolarHBondContact O-CG1 3.39Å; K38-I42 PolarHBondContact O-N 2.86Å
39	R	59.1	Low	58.7	Low	133 Å²	133	122.5 Å²	122.5	50%	0.502	60%	0.597	S	S	.	*	H	α-helix	trans	-62.6	-43.3	176.5	-165.3	-179.1	74.5	-173.2	-1.8	111.2	F35 D36 Q41 I42 F43	F35-R39 WeakPolarHBondContact O-CB 3.42Å; F35-R39 PolarHBondContact O-N 3.12Å; D36-R39 PolarHBondContact O-N 2.84Å; D36-R39 IonicContact OD1-CZ 3.64Å; D36-R39 IonicContact OD1-NH2 3.95Å; R39-Q41 VanDerWaalsContact C-N 3.3Å; R39-Q41 PolarHBondContact O-N 3.45Å; R39-I42 PolarHBondContact O-N 3.48Å; R39-F43 HydrophobicContact CG-CD2 3.91Å; R39-F43 HydrophobicContact CG-CE2 3.58Å; R39-F43 WeakPolarHBondContact O-CD2 3.42Å; R39-F43 PolarHBondContact O-N 3.27Å
40	A	57.4	Low	57.6	Low	56 Å²	56	124.8 Å²	124.8	46%	0.463	61%	0.613	S	S	.	*	H	α-helix	trans	-63	-34.6	176.4	0	0	0	0	0	112.4	D36 V37 I42 F43 C44	D36-A40 VanDerWaalsContact O-CB 3.28Å; D36-A40 WeakPolarHBondContact O-CB 3.07Å; D36-A40 PolarHBondContact O-N 3.01Å; V37-A40 PolarHBondContact O-N 3.44Å; A40-I42 VanDerWaalsContact C-N 3.33Å; A40-I42 PolarHBondContact O-N 3.11Å; A40-F43 PolarHBondContact O-N 3.33Å; A40-C44 WeakPolarHBondContact O-CA 3.34Å; A40-C44 WeakPolarHBondContact O-CB 3.33Å; A40-C44 PolarHBondContact O-N 2.9Å
41	Q	56.9	Low	56.5	Low	117 Å²	117	125.6 Å²	125.6	55%	0.547	62%	0.621	S	S	.	*	H	α-helix	trans	-67.7	-31.6	176.2	-163.9	174.9	16.1	0	0	112.8	V37 K38 R39 C44 P45	V37-Q41 PolarHBondContact O-N 3.04Å; K38-Q41 PolarHBondContact O-N 3.43Å; R39-Q41 VanDerWaalsContact C-N 3.3Å; R39-Q41 PolarHBondContact O-N 3.45Å; Q41-C44 CarbonylContact O-C 3.6Å; Q41-P45 WeakPolarHBondContact O-CA 3.22Å
42	I	60	Low	55.6	Low	132 Å²	132	123.5 Å²	123.5	68%	0.677	62%	0.624	S	S	*	*	H	α-helix	trans	-68.6	-42.4	174.4	-63.1	166.4	0	0	0	110.7	K38 R39 A40	K38-I42 WeakPolarHBondContact O-CG1 3.39Å; K38-I42 PolarHBondContact O-N 2.86Å; R39-I42 PolarHBondContact O-N 3.48Å; A40-I42 VanDerWaalsContact C-N 3.33Å; A40-I42 PolarHBondContact O-N 3.11Å
43	F	52.3	Low	54.8	Low	156 Å²	156	123.1 Å²	123.1	68%	0.684	63%	0.631	S	S	*	*	H	α-helix	trans	-83.8	-29.8	-177.4	-69	-67.7	0	0	0	114	R39 A40	R39-F43 HydrophobicContact CG-CD2 3.91Å; R39-F43 HydrophobicContact CG-CE2 3.58Å; R39-F43 WeakPolarHBondContact O-CD2 3.42Å; R39-F43 PolarHBondContact O-N 3.27Å; A40-F43 PolarHBondContact O-N 3.33Å
44	C	48	Very low	54.1	Low	93 Å²	93	125 Å²	125	63%	0.628	65%	0.647	S	S	*	*	S	Bend	trans	-124.4	77.8	173.5	-87	0	0	0	0	108.7	A40 Q41 I46	A40-C44 WeakPolarHBondContact O-CA 3.34Å; A40-C44 WeakPolarHBondContact O-CB 3.33Å; A40-C44 PolarHBondContact O-N 2.9Å; Q41-C44 CarbonylContact O-C 3.6Å; C44-I46 PolarHBondContact O-N 2.97Å
45	P	51	Low	53.3	Low	92 Å²	92	122.2 Å²	122.2	60%	0.597	64%	0.644	S	S	*	*			trans	-57.1	113.8	169.8	22.5	-31.3	0	0	0	107.9	Q41 K47	Q41-P45 WeakPolarHBondContact O-CA 3.22Å; P45-K47 PolarHBondContact O-N 3.12Å
46	I	55.2	Low	53.1	Low	120 Å²	120	121.3 Å²	121.3	62%	0.615	65%	0.652	S	S	*	*			trans	-62.3	105.8	173.3	-59.4	169.8	0	0	0	104.7	C44 D48	C44-I46 PolarHBondContact O-N 2.97Å; I46-D48 PolarHBondContact O-N 3.19Å
47	K	53.9	Low	53.2	Low	158 Å²	158	123.8 Å²	123.8	69%	0.687	67%	0.672	S	S	*	*			trans	-61.7	122.1	167.7	-65.9	-174.9	178	-176.1	0	105.9	P45 T49 T50	P45-K47 PolarHBondContact O-N 3.12Å; K47-T49 PolarHBondContact O-N 3.07Å; K47-T50 PolarHBondContact O-N 3.07Å; K47-T50 PolarHBondContact O-OG1 3.09Å
48	D	56.8	Low	52.9	Low	165 Å²	165	121.9 Å²	121.9	88%	0.882	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	-7.5	179.3	-63.4	-41.2	0	0	0	113.7	I46 T50	I46-D48 PolarHBondContact O-N 3.19Å; D48-T50 VanDerWaalsContact C-N 3.29Å; D48-T50 PolarHBondContact O-N 2.98Å
49	T	48.2	Very low	52.7	Low	120 Å²	120	120.5 Å²	120.5	74%	0.736	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-0.3	173.2	61	0	0	0	0	114.1	K47 K51	K47-T49 PolarHBondContact O-N 3.07Å; T49-K51 PolarHBondContact O-N 2.87Å
50	T	45.6	Very low	52.7	Low	101 Å²	101	117.9 Å²	117.9	62%	0.62	67%	0.665	S	S	*	*			trans	-79.9	92.9	176.2	-45.7	0	0	0	0	108.4	K47 D48	K47-T50 PolarHBondContact O-N 3.07Å; K47-T50 PolarHBondContact O-OG1 3.09Å; D48-T50 VanDerWaalsContact C-N 3.29Å; D48-T50 PolarHBondContact O-N 2.98Å
51	K	43.7	Very low	52.6	Low	185 Å²	185	119 Å²	119	80%	0.804	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-47.7	128.3	171	-69.5	-171.4	175.6	-173.5	0	108.6	T49 S53	T49-K51 PolarHBondContact O-N 2.87Å; K51-S53 PolarHBondContact O-N 3.32Å; K51-S53 VanDerWaalsContact O-N 3.1Å
52	P	50	Low	52.9	Low	115 Å²	115	119.7 Å²	119.7	75%	0.747	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-57	121.6	175.9	24.2	-32.1	0	0	0	107.3	E54	P52-E54 PolarHBondContact O-N 3.26Å; P52-E54 VanDerWaalsContact O-N 3.13Å
53	S	46.3	Very low	52.3	Low	92 Å²	92	122 Å²	122	64%	0.643	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-64.2	120.5	172	68.4	0	0	0	0	107	K51 S55	K51-S53 PolarHBondContact O-N 3.32Å; K51-S53 VanDerWaalsContact O-N 3.1Å; S53-S55 PolarHBondContact O-N 2.75Å; S53-S55 PolarHBondContact OG-OG 3.08Å
54	E	48.7	Very low	52.9	Low	198 Å²	198	118.8 Å²	118.8	93%	0.925	66%	0.657	S	S	*	*	S	Bend	trans	-66.6	4.9	179.4	-70	177.1	160.1	0	0	113.6	P52	P52-E54 PolarHBondContact O-N 3.26Å; P52-E54 VanDerWaalsContact O-N 3.13Å
55	S	47.3	Very low	53.4	Low	80 Å²	80	120.1 Å²	120.1	56%	0.559	65%	0.649	S	S	*	*	S	Bend	trans	-80.7	125.3	170.4	47	0	0	0	0	110.3	S53	S53-S55 PolarHBondContact O-N 2.75Å; S53-S55 PolarHBondContact OG-OG 3.08Å
56	P	55.1	Low	53.5	Low	112 Å²	112	122.2 Å²	122.2	73%	0.727	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-57	143.9	175.4	22.2	-31.1	0	0	0	109.9	S58	P56-S58 PolarHBondContact O-N 2.81Å
57	P	59.5	Low	53.6	Low	121 Å²	121	123 Å²	123	79%	0.786	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-58.4	116.2	177.5	23.4	-31.7	0	0	0	108.8	S59	P57-S59 PolarHBondContact O-N 3.26Å
58	S	51.9	Low	53.5	Low	60 Å²	60	121.1 Å²	121.1	42%	0.42	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-49.9	129.6	175.3	157.3	0	0	0	0	110	P56 K60 R65	P56-S58 PolarHBondContact O-N 2.81Å; S58-K60 PolarHBondContact O-N 3.38Å; S58-K60 VanDerWaalsContact O-N 3.13Å; S58-K60 PolarHBondContact OG-N 3.28Å; S58-R65 PolarHBondContact O-NH2 2.69Å
59	S	60.6	Low	53.3	Low	125 Å²	125	121.1 Å²	121.1	87%	0.874	64%	0.64	S	S	*	*	S	Bend	trans	-66.2	-5.4	178.4	52.7	0	0	0	0	113.6	P57	P57-S59 PolarHBondContact O-N 3.26Å
60	K	58.9	Low	53.4	Low	77 Å²	77	121.8 Å²	121.8	34%	0.335	64%	0.639	S	S	.	*	S	Bend	trans	-77	130.8	179	-67.9	-172.3	-176.6	173.5	0	111.4	S58 E64 E68	S58-K60 PolarHBondContact O-N 3.38Å; S58-K60 VanDerWaalsContact O-N 3.13Å; S58-K60 PolarHBondContact OG-N 3.28Å; K60-E64 HydrophobicContact CB-CB 4.36Å; K60-E64 WeakPolarHBondContact CB-OE2 3.01Å; K60-E64 WeakPolarHBondContact CD-OE2 3.22Å; K60-E64 VanDerWaalsContact CG-OE2 3.31Å; K60-E64 WeakPolarHBondContact CG-OE2 3.04Å; K60-E68 IonicContact NZ-OE1 2.58Å; K60-E68 PolarHBondContact NZ-OE1 3.33Å; K60-E68 IonicContact NZ-OE2 2.97Å; K60-E68 PolarHBondContact NZ-OE2 3.07Å
61	P	55.3	Low	53.5	Low	79 Å²	79	125.9 Å²	125.9	51%	0.513	65%	0.651	S	S	.	*			trans	-56.9	145.1	176.6	23.2	-32	0	0	0	110.8	Y63 E64	P61-Y63 PolarHBondContact O-N 2.86Å; P61-E64 HydrophobicContact CG-CG 4.23Å; P61-E64 PolarHBondContact O-N 2.9Å
62	F	63.2	Low	53.3	Low	132 Å²	132	125.2 Å²	125.2	58%	0.579	65%	0.651	S	S	*	*	H	α-helix	trans	-45	-38.3	-175	175.2	-97.7	0	0	0	114	R65 F66	F62-R65 WeakPolarHBondContact O-CB 3.46Å; F62-R65 PolarHBondContact O-N 2.99Å; F62-F66 HydrophobicContact CD1-CD2 4.35Å; F62-F66 HydrophobicContact CD1-CE2 4.24Å; F62-F66 HydrophobicContact CD2-CE2 4.29Å; F62-F66 HydrophobicContact CE1-CD2 4.02Å; F62-F66 AromaticContact CE1-CE2 3.58Å; F62-F66 HydrophobicContact CE1-CE2 3.58Å; F62-F66 HydrophobicContact CE1-CZ 4.43Å; F62-F66 AromaticContact CE2-CE2 3.65Å; F62-F66 HydrophobicContact CE2-CE2 3.65Å; F62-F66 HydrophobicContact CE2-CZ 4.45Å; F62-F66 HydrophobicContact CZ-CD2 4.14Å; F62-F66 AromaticContact CZ-CE2 3.26Å; F62-F66 HydrophobicContact CZ-CE2 3.26Å; F62-F66 AromaticContact CZ-CZ 3.92Å; F62-F66 HydrophobicContact CZ-CZ 3.92Å
63	Y	47.8	Very low	52.9	Low	181 Å²	181	126.3 Å²	126.3	71%	0.71	66%	0.655	S	S	*	*	H	α-helix	trans	-68.4	-33.6	-179.4	-70.6	-79.6	0	0	0	114.3	P61 R65 F66 L67	P61-Y63 PolarHBondContact O-N 2.86Å; Y63-R65 PolarHBondContact O-N 3.11Å; Y63-F66 PolarHBondContact O-N 3.38Å; Y63-L67 PolarHBondContact O-N 2.8Å
64	E	63.9	Low	52.5	Low	88 Å²	88	131.4 Å²	131.4	41%	0.411	66%	0.662	S	S	.	*	H	α-helix	trans	-64.1	-32.3	175	-85.1	-176.2	166.7	0	0	111.5	K60 P61 F66 L67 E68	K60-E64 HydrophobicContact CB-CB 4.36Å; K60-E64 WeakPolarHBondContact CB-OE2 3.01Å; K60-E64 WeakPolarHBondContact CD-OE2 3.22Å; K60-E64 VanDerWaalsContact CG-OE2 3.31Å; K60-E64 WeakPolarHBondContact CG-OE2 3.04Å; P61-E64 HydrophobicContact CG-CG 4.23Å; P61-E64 PolarHBondContact O-N 2.9Å; E64-F66 VanDerWaalsContact C-N 3.26Å; E64-F66 PolarHBondContact O-N 3.45Å; E64-L67 PolarHBondContact O-N 3.22Å; E64-E68 WeakPolarHBondContact O-CB 3.49Å; E64-E68 PolarHBondContact O-N 2.97Å
65	R	58.7	Low	51.9	Low	121 Å²	121	126.2 Å²	126.2	46%	0.457	65%	0.647	S	S	.	*	H	α-helix	trans	-66.8	-27	178.2	-54.6	-173.1	-167.9	-170.6	2.7	113.2	S58 F62 Y63	S58-R65 PolarHBondContact O-NH2 2.69Å; F62-R65 WeakPolarHBondContact O-CB 3.46Å; F62-R65 PolarHBondContact O-N 2.99Å; Y63-R65 PolarHBondContact O-N 3.11Å
66	F	53.9	Low	51.5	Low	137 Å²	137	129 Å²	129	60%	0.601	66%	0.661	S	S	*	*	H	α-helix	trans	-81.1	-29.9	175.5	-82.9	-91.3	0	0	0	111.9	F62 Y63 E64	F62-F66 HydrophobicContact CD1-CD2 4.35Å; F62-F66 HydrophobicContact CD1-CE2 4.24Å; F62-F66 HydrophobicContact CD2-CE2 4.29Å; F62-F66 HydrophobicContact CE1-CD2 4.02Å; F62-F66 AromaticContact CE1-CE2 3.58Å; F62-F66 HydrophobicContact CE1-CE2 3.58Å; F62-F66 HydrophobicContact CE1-CZ 4.43Å; F62-F66 AromaticContact CE2-CE2 3.65Å; F62-F66 HydrophobicContact CE2-CE2 3.65Å; F62-F66 HydrophobicContact CE2-CZ 4.45Å; F62-F66 HydrophobicContact CZ-CD2 4.14Å; F62-F66 AromaticContact CZ-CE2 3.26Å; F62-F66 HydrophobicContact CZ-CE2 3.26Å; F62-F66 AromaticContact CZ-CZ 3.92Å; F62-F66 HydrophobicContact CZ-CZ 3.92Å; Y63-F66 PolarHBondContact O-N 3.38Å; E64-F66 VanDerWaalsContact C-N 3.26Å; E64-F66 PolarHBondContact O-N 3.45Å
67	L	55.8	Low	50.6	Low	136 Å²	136	128.7 Å²	128.7	71%	0.712	66%	0.656	S	S	*	*	H	α-helix	trans	-82.4	-36.6	178.4	-66.1	171.7	0	0	0	112.3	Y63 E64 K69	Y63-L67 PolarHBondContact O-N 2.8Å; E64-L67 PolarHBondContact O-N 3.22Å; L67-K69 PolarHBondContact O-N 3.35Å; L67-K69 VanDerWaalsContact O-N 3.12Å
68	E	53.1	Low	49.5	Very low	119 Å²	119	130.5 Å²	130.5	56%	0.556	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-6.8	176.6	-85.7	-171.1	152.5	0	0	113.9	K60 E64 N70	K60-E68 IonicContact NZ-OE1 2.58Å; K60-E68 PolarHBondContact NZ-OE1 3.33Å; K60-E68 IonicContact NZ-OE2 2.97Å; K60-E68 PolarHBondContact NZ-OE2 3.07Å; E64-E68 WeakPolarHBondContact O-CB 3.49Å; E64-E68 PolarHBondContact O-N 2.97Å; E68-N70 PolarHBondContact O-N 3.14Å; E68-N70 VanDerWaalsContact O-N 3.11Å
69	K	52.3	Low	49.2	Very low	165 Å²	165	133.2 Å²	133.2	72%	0.717	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	13.4	-179.9	-111.3	-167.2	-179.3	-169.4	0	115.5	L67	L67-K69 PolarHBondContact O-N 3.35Å; L67-K69 VanDerWaalsContact O-N 3.12Å
70	N	49.3	Very low	48.3	Very low	134 Å²	134	135.5 Å²	135.5	72%	0.717	67%	0.665	S	S	*	*	S	Bend	trans	-130.6	80.8	174.8	-62.3	-41.2	0	0	0	109.8	E68	E68-N70 PolarHBondContact O-N 3.14Å; E68-N70 VanDerWaalsContact O-N 3.11Å
71	E	47.5	Very low	47.5	Very low	186 Å²	186	141.6 Å²	141.6	87%	0.869	69%	0.691	S	S	*	*	S	Bend	trans	-175.2	-3.3	147.5	-106.1	173.4	-150.8	0	0	114.7	T73	E71-T73 PolarHBondContact O-N 2.97Å
72	E	41.3	Very low	46.9	Very low	172 Å²	172	144.1 Å²	144.1	80%	0.804	70%	0.696	S	S	*	*	S	Bend	trans	-80.8	94.1	165.7	-79.4	-177.7	174	0	0	110.5	Y74	E72-Y74 VanDerWaalsContact C-N 3.34Å; E72-Y74 WeakPolarHBondContact O-CD2 3.38Å; E72-Y74 PolarHBondContact O-N 2.93Å
73	T	39.8	Very low	46.2	Very low	137 Å²	137	141.5 Å²	141.5	84%	0.84	69%	0.694	S	S	*	*			trans	-15.4	81.7	157.3	-27.3	0	0	0	0	113.9	E71 S75	E71-T73 PolarHBondContact O-N 2.97Å; T73-S75 PolarHBondContact O-N 2.84Å
74	Y	39.6	Very low	46.5	Very low	200 Å²	200	137.6 Å²	137.6	78%	0.784	69%	0.691	S	S	*	*			trans	-70.6	104.2	161.7	-78.4	-78.3	0	0	0	105.9	E72 V76	E72-Y74 VanDerWaalsContact C-N 3.34Å; E72-Y74 WeakPolarHBondContact O-CD2 3.38Å; E72-Y74 PolarHBondContact O-N 2.93Å; Y74-V76 PolarHBondContact O-N 3Å
75	S	36.2	Very low	45.8	Very low	88 Å²	88	141.8 Å²	141.8	62%	0.615	71%	0.708	S	S	*	*			trans	-45	139.8	166.2	54.5	0	0	0	0	108.7	T73 V77	T73-S75 PolarHBondContact O-N 2.84Å; S75-V77 PolarHBondContact O-N 3.11Å
76	V	37.4	Very low	45.5	Very low	140 Å²	140	144 Å²	144	85%	0.848	72%	0.716	S	S	*	*			trans	-57	81.2	177.4	-179.7	0	0	0	0	108.7	Y74 E78	Y74-V76 PolarHBondContact O-N 3Å; V76-E78 PolarHBondContact O-N 2.82Å
77	V	36.1	Very low	45.4	Very low	105 Å²	105	142.1 Å²	142.1	64%	0.636	71%	0.712	S	S	*	*			trans	-78.1	102.9	167.3	178.1	0	0	0	0	103.7	S75	S75-V77 PolarHBondContact O-N 3.11Å
78	E	36.9	Very low	45.7	Very low	159 Å²	159	140.4 Å²	140.4	74%	0.743	70%	0.704	S	S	*	*			trans	-40.6	138.2	170.3	-70.6	-167.8	153.5	0	0	110.2	V76 K80	V76-E78 PolarHBondContact O-N 2.82Å; E78-K80 PolarHBondContact O-N 3.25Å
79	P	45.6	Very low	46.1	Very low	117 Å²	117	141 Å²	141	76%	0.76	71%	0.71	S	S	*	*			trans	-55.9	107.8	-175.3	21.9	-32.1	0	0	0	109	K81	P79-K81 PolarHBondContact O-N 3.09Å
80	K	42.7	Very low	46.8	Very low	173 Å²	173	138.2 Å²	138.2	75%	0.752	71%	0.707	S	S	*	*			trans	-54.4	110.1	168.7	-84.8	-177.4	174	174.5	0	106.2	E78 H82	E78-K80 PolarHBondContact O-N 3.25Å; K80-H82 PolarHBondContact O-N 2.9Å
81	K	41.9	Very low	47.7	Very low	205 Å²	205	135 Å²	135	89%	0.891	69%	0.694	S	S	*	*			trans	-39.6	108	173.2	-65.3	-174.3	178.5	-177.1	0	108.1	P79 S83	P79-K81 PolarHBondContact O-N 3.09Å; K81-S83 PolarHBondContact O-N 3.24Å
82	H	42.8	Very low	48.7	Very low	131 Å²	131	129.9 Å²	129.9	61%	0.606	68%	0.678	S	S	*	*			trans	-62.2	127.7	-179	-75.9	-64.1	0	0	0	107.6	K80	K80-H82 PolarHBondContact O-N 2.9Å
83	S	48.5	Very low	50	Low	78 Å²	78	127 Å²	127	55%	0.545	67%	0.668	S	S	.	*			trans	-64.9	141.6	174.5	52.2	0	0	0	0	108.8	K81 K85 R86	K81-S83 PolarHBondContact O-N 3.24Å; S83-K85 PolarHBondContact O-N 3.33Å; S83-R86 PolarHBondContact O-N 2.92Å
84	P	52.5	Low	51.5	Low	99 Å²	99	126.2 Å²	126.2	64%	0.643	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	-10.5	-169.2	19.8	-32.2	0	0	0	114.9	R86 D87	P84-R86 VanDerWaalsContact C-N 3.27Å; P84-R86 PolarHBondContact O-N 2.86Å; P84-D87 PolarHBondContact O-N 3.41Å
85	K	50.3	Low	52.9	Low	175 Å²	175	122.6 Å²	122.6	76%	0.761	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-20.9	175.8	-93	-176.6	174.8	179.8	0	114.7	S83	S83-K85 PolarHBondContact O-N 3.33Å
86	R	51.7	Low	54.4	Low	169 Å²	169	125.1 Å²	125.1	64%	0.638	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-24	176.3	-75.6	-165.8	179.5	141.8	1.6	113.2	S83 P84 D88 L89	S83-R86 PolarHBondContact O-N 2.92Å; P84-R86 VanDerWaalsContact C-N 3.27Å; P84-R86 PolarHBondContact O-N 2.86Å; R86-D88 PolarHBondContact O-N 3.49Å; R86-L89 PolarHBondContact O-N 3.41Å
87	D	51.9	Low	55.7	Low	97 Å²	97	124.7 Å²	124.7	52%	0.519	64%	0.638	S	S	.	*	H	α-helix	trans	-65.7	-26.4	172.7	-63.2	-31.7	0	0	0	111	P84 L89 C91	P84-D87 PolarHBondContact O-N 3.41Å; D87-L89 PolarHBondContact O-N 3.46Å; D87-C91 WeakPolarHBondContact O-CB 3.4Å; D87-C91 PolarHBondContact O-N 2.99Å
88	D	63	Low	57.1	Low	100 Å²	100	125.4 Å²	125.4	54%	0.535	64%	0.635	S	S	.	*	H	α-helix	trans	-60.4	-41.4	174	-77.2	-23.8	0	0	0	112.6	R86 C92	R86-D88 PolarHBondContact O-N 3.49Å; D88-C92 WeakPolarHBondContact O-CB 3.39Å; D88-C92 PolarHBondContact O-N 2.89Å; D88-C92 PolarHBondContact O-SG 3.4Å
89	L	61.5	Low	57.8	Low	130 Å²	130	122.9 Å²	122.9	68%	0.681	63%	0.626	S	S	*	*	H	α-helix	trans	-72.3	-43.7	-177.5	-80.5	167.2	0	0	0	112	R86 D87 C91 C92 L93	R86-L89 PolarHBondContact O-N 3.41Å; D87-L89 PolarHBondContact O-N 3.46Å; L89-C91 VanDerWaalsContact C-N 3.34Å; L89-C92 PolarHBondContact O-N 3.07Å; L89-L93 WeakPolarHBondContact O-CB 3.32Å; L89-L93 PolarHBondContact O-N 2.8Å
90	V	66.9	Low	57.9	Low	107 Å²	107	122.5 Å²	122.5	65%	0.648	62%	0.623	S	S	*	*	H	α-helix	trans	-68.3	-38.7	178.3	-177.7	0	0	0	0	110.2	L93 K94	V90-L93 PolarHBondContact O-N 3.48Å; V90-K94 VanDerWaalsContact O-CB 3.26Å; V90-K94 WeakPolarHBondContact O-CB 3.42Å; V90-K94 PolarHBondContact O-N 3.46Å
91	C	68.9	Low	58.3	Low	66 Å²	66	121.2 Å²	121.2	45%	0.446	62%	0.624	S	S	.	*	H	α-helix	trans	-64.4	-44.9	173.1	-172.9	0	0	0	0	111.8	D87 L89 L93 K94 K95	D87-C91 WeakPolarHBondContact O-CB 3.4Å; D87-C91 PolarHBondContact O-N 2.99Å; L89-C91 VanDerWaalsContact C-N 3.34Å; C91-L93 PolarHBondContact O-N 2.72Å; C91-K94 PolarHBondContact O-N 2.92Å; C91-K95 WeakPolarHBondContact O-CG 2.77Å; C91-K95 PolarHBondContact O-N 3.35Å
92	C	66.5	Low	58.3	Low	80 Å²	80	123 Å²	123	54%	0.541	63%	0.625	S	S	.	*	H	α-helix	trans	-61.8	-43.2	176.1	-78	0	0	0	0	111.9	D88 L89 K95 L96	D88-C92 WeakPolarHBondContact O-CB 3.39Å; D88-C92 PolarHBondContact O-N 2.89Å; D88-C92 PolarHBondContact O-SG 3.4Å; L89-C92 PolarHBondContact O-N 3.07Å; C92-K95 PolarHBondContact O-N 2.66Å; C92-L96 WeakPolarHBondContact O-CB 3.49Å; C92-L96 PolarHBondContact O-N 3.17Å
93	L	70.2	Confident	58.2	Low	112 Å²	112	123.3 Å²	123.3	59%	0.586	64%	0.636	S	S	*	*	H	α-helix	trans	-66	-42.2	177.9	-147.1	93	0	0	0	111	L89 V90 C91 L96 I97	L89-L93 WeakPolarHBondContact O-CB 3.32Å; L89-L93 PolarHBondContact O-N 2.8Å; V90-L93 PolarHBondContact O-N 3.48Å; C91-L93 PolarHBondContact O-N 2.72Å; L93-L96 PolarHBondContact O-N 3.49Å; L93-I97 HydrophobicContact CD2-CD1 4.29Å; L93-I97 HydrophobicContact CG-CD1 4.45Å; L93-I97 WeakPolarHBondContact O-CD1 3.47Å; L93-I97 VanDerWaalsContact O-CG1 3.28Å; L93-I97 WeakPolarHBondContact O-CG1 3.28Å; L93-I97 PolarHBondContact O-N 3.48Å; L93-I97 VanDerWaalsContact O-N 3.09Å
94	K	70.9	Confident	57.6	Low	120 Å²	120	122.2 Å²	122.2	52%	0.522	64%	0.636	S	S	.	*	H	α-helix	trans	-61.7	-44	176.2	-172.5	175.5	173.4	-179.8	0	111.3	V90 C91 I97 E98	V90-K94 VanDerWaalsContact O-CB 3.26Å; V90-K94 WeakPolarHBondContact O-CB 3.42Å; V90-K94 PolarHBondContact O-N 3.46Å; C91-K94 PolarHBondContact O-N 2.92Å; K94-I97 PolarHBondContact O-N 3.11Å; K94-E98 WeakPolarHBondContact CE-OE1 3.44Å; K94-E98 WeakPolarHBondContact CE-OE2 3.12Å; K94-E98 HydrophobicContact CG-CG 4.24Å; K94-E98 IonicContact NZ-OE1 3.96Å; K94-E98 WeakPolarHBondContact O-CB 3.46Å; K94-E98 WeakPolarHBondContact O-CG 3.4Å; K94-E98 PolarHBondContact O-N 3.1Å
95	K	69.1	Low	57	Low	123 Å²	123	122.5 Å²	122.5	54%	0.535	65%	0.648	S	S	.	*	H	α-helix	trans	-63	-39.9	173.2	-76.3	-166.1	174.5	-168	0	112.9	C91 C92 I97 E98 D99	C91-K95 WeakPolarHBondContact O-CG 2.77Å; C91-K95 PolarHBondContact O-N 3.35Å; C92-K95 PolarHBondContact O-N 2.66Å; K95-I97 PolarHBondContact O-N 3.3Å; K95-E98 PolarHBondContact O-N 3.26Å; K95-D99 VanDerWaalsContact O-CB 3.22Å; K95-D99 WeakPolarHBondContact O-CB 3.45Å; K95-D99 PolarHBondContact O-N 2.74Å
96	L	67.3	Low	56.3	Low	141 Å²	141	120.4 Å²	120.4	74%	0.738	65%	0.65	S	S	*	*	H	α-helix	trans	-63.6	-28.8	177.8	-150.6	90.8	0	0	0	112.6	C92 L93	C92-L96 WeakPolarHBondContact O-CB 3.49Å; C92-L96 PolarHBondContact O-N 3.17Å; L93-L96 PolarHBondContact O-N 3.49Å
97	I	65.7	Low	55.6	Low	132 Å²	132	120.5 Å²	120.5	68%	0.677	66%	0.657	S	S	*	*	H	α-helix	trans	-87.4	-39.6	178.2	-63.7	165.1	0	0	0	111	L93 K94 K95	L93-I97 HydrophobicContact CD2-CD1 4.29Å; L93-I97 HydrophobicContact CG-CD1 4.45Å; L93-I97 WeakPolarHBondContact O-CD1 3.47Å; L93-I97 VanDerWaalsContact O-CG1 3.28Å; L93-I97 WeakPolarHBondContact O-CG1 3.28Å; L93-I97 PolarHBondContact O-N 3.48Å; L93-I97 VanDerWaalsContact O-N 3.09Å; K94-I97 PolarHBondContact O-N 3.11Å; K95-I97 PolarHBondContact O-N 3.3Å
98	E	65.4	Low	54.8	Low	120 Å²	120	122.6 Å²	122.6	56%	0.561	67%	0.668	S	S	*	*	H	α-helix	trans	-79.2	-28.2	-178.3	-74.4	-178.7	165.7	0	0	113.4	K94 K95 P100	K94-E98 WeakPolarHBondContact CE-OE1 3.44Å; K94-E98 WeakPolarHBondContact CE-OE2 3.12Å; K94-E98 HydrophobicContact CG-CG 4.24Å; K94-E98 IonicContact NZ-OE1 3.96Å; K94-E98 WeakPolarHBondContact O-CB 3.46Å; K94-E98 WeakPolarHBondContact O-CG 3.4Å; K94-E98 PolarHBondContact O-N 3.1Å; K95-E98 PolarHBondContact O-N 3.26Å; E98-P100 WeakPolarHBondContact O-CD 3.26Å
99	D	51	Low	53.5	Low	106 Å²	106	127.1 Å²	127.1	57%	0.567	68%	0.683	S	S	*	*	S	Bend	trans	-88.9	98.6	173	-67.6	-31.7	0	0	0	108.5	K95 I101	K95-D99 VanDerWaalsContact O-CB 3.22Å; K95-D99 WeakPolarHBondContact O-CB 3.45Å; K95-D99 PolarHBondContact O-N 2.74Å; D99-I101 PolarHBondContact O-N 3.35Å
100	P	47.6	Very low	52.4	Low	108 Å²	108	129.4 Å²	129.4	70%	0.701	70%	0.696	S	S	*	*			trans	-57.1	130.3	171.1	24	-32.8	0	0	0	107.9	E98 R102	E98-P100 WeakPolarHBondContact O-CD 3.26Å; P100-R102 VanDerWaalsContact C-N 3.28Å; P100-R102 PolarHBondContact O-N 3.4Å
101	I	50.8	Low	50.7	Low	147 Å²	147	127.5 Å²	127.5	75%	0.754	70%	0.698	S	S	*	*			trans	-48.1	94.6	176.6	-59.2	170.9	0	0	0	108.1	D99 T103	D99-I101 PolarHBondContact O-N 3.35Å; I101-T103 HydrophobicContact CG2-CG2 3.81Å; I101-T103 PolarHBondContact O-N 2.87Å
102	R	41.1	Very low	49	Very low	243 Å²	243	131 Å²	131	92%	0.917	71%	0.713	S	S	*	*			trans	-78.7	80.4	170.2	-117.5	-173.9	172.5	-157	-1.3	105.3	P100 G104	P100-R102 VanDerWaalsContact C-N 3.28Å; P100-R102 PolarHBondContact O-N 3.4Å; R102-G104 PolarHBondContact O-N 3.43Å
103	T	42.2	Very low	47.6	Very low	137 Å²	137	134.7 Å²	134.7	84%	0.84	73%	0.726	S	S	*	*			trans	-65.9	79.3	163.3	27.9	0	0	0	0	108.2	I101	I101-T103 HydrophobicContact CG2-CG2 3.81Å; I101-T103 PolarHBondContact O-N 2.87Å
104	G	36.1	Very low	45.7	Very low	54 Å²	54	137.4 Å²	137.4	56%	0.557	74%	0.735	S	S	*	*			trans	-140.7	84.1	168.1	0	0	0	0	0	106.5	R102 T106	R102-G104 PolarHBondContact O-N 3.43Å; G104-T106 VanDerWaalsContact C-N 3.25Å; G104-T106 PolarHBondContact O-N 3.27Å
105	A	39.4	Very low	44	Very low	106 Å²	106	139.2 Å²	139.2	88%	0.876	75%	0.749	S	S	*	*			trans	-62.7	89.2	170.5	0	0	0	0	0	108.6
106	T	35.3	Very low	42.2	Very low	131 Å²	131	144.3 Å²	144.3	80%	0.804	77%	0.765	S	S	*	*			trans	-89.2	108.6	158.8	49.8	0	0	0	0	106.9	G104	G104-T106 VanDerWaalsContact C-N 3.25Å; G104-T106 PolarHBondContact O-N 3.27Å
107	E	36.9	Very low	40.4	Very low	171 Å²	171	145.8 Å²	145.8	80%	0.799	77%	0.768	S	S	*	*			trans	-47.3	155.2	158.1	-59.2	-173.7	147.9	0	0	110.1
108	D	35.8	Very low	38.9	Very low	141 Å²	141	147.4 Å²	147.4	75%	0.754	78%	0.778	S	S	*	*			trans	80.5	104.4	173.1	-52	-27.1	0	0	0	116.8
109	K	35.3	Very low	37.5	Very low	195 Å²	195	145.4 Å²	145.4	85%	0.848	78%	0.782	S	S	*	*				177.4	110	98.8	-83.3	-78.6	170.2	177.5	0	108.7	G111	K109-G111 PolarHBondContact O-N 3.36Å
110	D	37.3	Very low	36.7	Very low	178 Å²	178	148.3 Å²	148.3	95%	0.952	80%	0.798	S	S	*	*			trans	-51.6	99.2	160.1	-72.1	-55.3	0	0	0	110.2
111	G	32.6	Very low	36.3	Very low	67 Å²	67	149.7 Å²	149.7	69%	0.691	80%	0.797	S	S	*	*			trans	-112.3	86.5	178.5	0	0	0	0	0	110.3	K109 L113	K109-G111 PolarHBondContact O-N 3.36Å; G111-L113 PolarHBondContact O-N 3.36Å; G111-L113 VanDerWaalsContact O-N 3.13Å
112	N	31.6	Very low	35.4	Very low	140 Å²	140	152.6 Å²	152.6	75%	0.749	80%	0.8	S	S	*	*			trans	-49.3	105.7	176.1	-161.3	11.8	0	0	0	112.3
113	L	38.4	Very low	35.2	Very low	156 Å²	156	152.3 Å²	152.3	82%	0.817	80%	0.799	S	S	*	*			trans	-122.8	95.6	167	-86.4	166.3	0	0	0	109.6	G111 I115	G111-L113 PolarHBondContact O-N 3.36Å; G111-L113 VanDerWaalsContact O-N 3.13Å; L113-I115 PolarHBondContact O-N 3.33Å; L113-I115 VanDerWaalsContact O-N 3.16Å
114	H	29.4	Very low	35.1	Very low	170 Å²	170	150.5 Å²	150.5	79%	0.787	79%	0.79	S	S	*	*			trans	-50.1	109.2	162.7	-85.9	-85.3	0	0	0	110.8
115	I	36	Very low	35.1	Very low	157 Å²	157	154.6 Å²	154.6	81%	0.805	80%	0.799	S	S	*	*			trans	-126	120.6	157.2	-57.2	-177.4	0	0	0	108.6	L113	L113-I115 PolarHBondContact O-N 3.33Å; L113-I115 VanDerWaalsContact O-N 3.16Å
116	R	30.2	Very low	35.4	Very low	231 Å²	231	154.4 Å²	154.4	87%	0.872	79%	0.787	S	S	*	*			trans	-43.5	137.3	-178.1	-75.7	166.6	159.3	175.1	-7	114.9
117	E	29.7	Very low	35.5	Very low	172 Å²	172	156.8 Å²	156.8	80%	0.804	79%	0.786	S	S	*	*			trans	19.3	105.9	134.5	-63.3	177.5	165.5	0	0	116.7
118	N	35.4	Very low	35.8	Very low	166 Å²	166	156.1 Å²	156.1	89%	0.888	78%	0.783	S	S	*	*			trans	161.1	73.8	135	-79.9	-22.9	0	0	0	111
119	A	36.2	Very low	36.2	Very low	77 Å²	77	154.4 Å²	154.4	64%	0.636	78%	0.779	S	S	*	*			trans	-170.2	94.9	159.6	0	0	0	0	0	110.1	I121	A119-I121 HydrophobicContact CB-CD1 4.28Å; A119-I121 HydrophobicContact CB-CG1 4.22Å; A119-I121 PolarHBondContact O-N 2.89Å
120	N	33	Very low	36.3	Very low	168 Å²	168	154.8 Å²	154.8	90%	0.898	78%	0.781	S	S	*	*			trans	-78	54.3	161.7	-161.9	9.8	0	0	0	109.4
121	I	39.3	Very low	36.8	Very low	136 Å²	136	152.9 Å²	152.9	70%	0.697	77%	0.77	S	S	*	*			trans	-95.2	107.8	169.9	-59.6	173.6	0	0	0	104.5	A119 R123	A119-I121 HydrophobicContact CB-CD1 4.28Å; A119-I121 HydrophobicContact CB-CG1 4.22Å; A119-I121 PolarHBondContact O-N 2.89Å; I121-R123 PolarHBondContact O-N 2.81Å
122	Y	32.4	Very low	37.5	Very low	209 Å²	209	153.1 Å²	153.1	82%	0.82	76%	0.761	S	S	*	*			trans	-31.3	104.9	169.2	-112.5	-106.3	0	0	0	110.1	P124	Y122-P124 WeakPolarHBondContact O-CD 2.98Å
123	R	37.4	Very low	38.6	Very low	236 Å²	236	152.9 Å²	152.9	89%	0.891	77%	0.77	S	S	*	*			trans	-77.8	105.7	163.1	-86.4	-172	175.9	-172.8	-0.7	105.3	I121 N125	I121-R123 PolarHBondContact O-N 2.81Å; R123-N125 PolarHBondContact O-N 3.36Å; R123-N125 VanDerWaalsContact O-N 3.11Å
124	P	39.2	Very low	39.2	Very low	99 Å²	99	149.1 Å²	149.1	64%	0.643	76%	0.757	S	S	*	*			trans	-59.3	123.9	163.6	26.1	-30.3	0	0	0	106	Y122 V126	Y122-P124 WeakPolarHBondContact O-CD 2.98Å; P124-V126 HydrophobicContact CB-CG2 4.21Å; P124-V126 HydrophobicContact CG-CG2 4.13Å; P124-V126 PolarHBondContact O-N 3.36Å
125	N	36.2	Very low	40.1	Very low	140 Å²	140	146.8 Å²	146.8	75%	0.749	75%	0.745	S	S	*	*			trans	-67	78.3	169.2	-170.8	-28.1	0	0	0	106.3	R123 K127	R123-N125 PolarHBondContact O-N 3.36Å; R123-N125 VanDerWaalsContact O-N 3.11Å; N125-K127 PolarHBondContact O-N 3.25Å
126	V	45.3	Very low	41.6	Very low	102 Å²	102	144.6 Å²	144.6	62%	0.618	74%	0.735	S	S	*	*			trans	-70.1	86.6	169.8	-174.4	0	0	0	0	104	P124 Q128	P124-V126 HydrophobicContact CB-CG2 4.21Å; P124-V126 HydrophobicContact CG-CG2 4.13Å; P124-V126 PolarHBondContact O-N 3.36Å; V126-Q128 HydrophobicContact CG1-CG 4.28Å; V126-Q128 PolarHBondContact O-N 3.49Å
127	K	38.6	Very low	43.7	Very low	181 Å²	181	139.7 Å²	139.7	79%	0.787	73%	0.726	S	S	*	*			trans	-53.7	92.7	149	-75.4	-179.2	177.9	178	0	104.2	N125 P129	N125-K127 PolarHBondContact O-N 3.25Å; K127-P129 VanDerWaalsContact O-N 3.1Å
128	Q	41.6	Very low	45.7	Very low	158 Å²	158	134.5 Å²	134.5	74%	0.738	71%	0.713	S	S	*	*			trans	-49.6	123.5	169.1	-72.3	-175.5	-21.5	0	0	104.9	V126 K130	V126-Q128 HydrophobicContact CG1-CG 4.28Å; V126-Q128 PolarHBondContact O-N 3.49Å; Q128-K130 PolarHBondContact O-N 2.78Å
129	P	44.3	Very low	47.6	Very low	104 Å²	104	131.5 Å²	131.5	68%	0.675	69%	0.692	S	S	*	*			trans	-55.1	119.3	176.6	22.1	-29.8	0	0	0	105.1	K127 L131	K127-P129 VanDerWaalsContact O-N 3.1Å; P129-L131 PolarHBondContact O-N 3.21Å
130	K	38.7	Very low	49.5	Very low	204 Å²	204	132.2 Å²	132.2	89%	0.887	69%	0.685	S	S	*	*			trans	-59.7	95.3	168.8	-72.2	179.7	177.4	-177.4	0	104.1	Q128 S132	Q128-K130 PolarHBondContact O-N 2.78Å; K130-S132 VanDerWaalsContact C-N 3.29Å; K130-S132 PolarHBondContact O-N 3.4Å
131	L	46.7	Very low	51.6	Low	137 Å²	137	129.7 Å²	129.7	72%	0.717	67%	0.671	S	S	*	*			trans	-55.3	107.9	162.8	-66.1	173.6	0	0	0	102.8	P129 S133	P129-L131 PolarHBondContact O-N 3.21Å; L131-S133 PolarHBondContact O-N 3.44Å; L131-S133 VanDerWaalsContact O-N 3.13Å
132	S	48.7	Very low	53.4	Low	73 Å²	73	129.7 Å²	129.7	51%	0.51	67%	0.668	S	S	.	*			trans	-52.3	128.9	174.7	49.3	0	0	0	0	105.4	K130 S134 F135	K130-S132 VanDerWaalsContact C-N 3.29Å; K130-S132 PolarHBondContact O-N 3.4Å; S132-S134 PolarHBondContact O-N 2.95Å; S132-S134 PolarHBondContact OG-OG 3.3Å; S132-F135 PolarHBondContact O-N 3.23Å; S132-F135 VanDerWaalsContact O-N 3.15Å
133	S	54.3	Low	55.3	Low	134 Å²	134	123 Å²	123	94%	0.937	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	14.8	179.7	59.4	0	0	0	0	113.5	L131	L131-S133 PolarHBondContact O-N 3.44Å; L131-S133 VanDerWaalsContact O-N 3.13Å
134	S	50.1	Low	57	Low	77 Å²	77	113.7 Å²	113.7	54%	0.538	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.8	25.6	173.3	74.8	0	0	0	0	111.1	S132 D136	S132-S134 PolarHBondContact O-N 2.95Å; S132-S134 PolarHBondContact OG-OG 3.3Å; S134-D136 PolarHBondContact O-N 3.25Å
135	F	49.9	Very low	58.6	Low	121 Å²	121	111.6 Å²	111.6	53%	0.531	61%	0.607	S	S	.	*			trans	-63.6	95.7	161.8	-136.9	-89.9	0	0	0	104.5	S132 D137 F139	S132-F135 PolarHBondContact O-N 3.23Å; S132-F135 VanDerWaalsContact O-N 3.15Å; F135-D137 PolarHBondContact O-N 3.41Å; F135-D137 VanDerWaalsContact O-N 3.11Å; F135-F139 HydrophobicContact CD1-CD1 4.27Å; F135-F139 AromaticContact CE1-CD1 3.64Å; F135-F139 HydrophobicContact CE1-CD1 3.64Å; F135-F139 AromaticContact CE1-CE1 3.87Å; F135-F139 HydrophobicContact CE1-CE1 3.87Å; F135-F139 HydrophobicContact CZ-CE1 4.42Å
136	D	66.2	Low	60.2	Low	112 Å²	112	112.4 Å²	112.4	60%	0.599	60%	0.604	S	S	*	*			trans	-52.3	120.5	-169.1	-93.7	-35.4	0	0	0	108.2	S134 A138 F139	S134-D136 PolarHBondContact O-N 3.25Å; D136-A138 HydrophobicContact CB-CB 4.2Å; D136-A138 PolarHBondContact O-N 3.18Å; D136-F139 WeakPolarHBondContact O-CB 3.38Å; D136-F139 PolarHBondContact O-N 3.5Å
137	D	73.8	Confident	61.2	Low	127 Å²	127	113.1 Å²	113.1	68%	0.679	60%	0.602	S	S	*	*	H	α-helix	trans	-51.5	-27.6	170.9	-68.5	-38.1	0	0	0	110.3	F135 F139 L140 D141	F135-D137 PolarHBondContact O-N 3.41Å; F135-D137 VanDerWaalsContact O-N 3.11Å; D137-F139 VanDerWaalsContact C-N 3.33Å; D137-F139 PolarHBondContact O-N 3.01Å; D137-L140 PolarHBondContact O-N 2.92Å; D137-D141 PolarHBondContact O-N 3.25Å
138	A	73.1	Confident	62.6	Low	64 Å²	64	111.3 Å²	111.3	53%	0.529	60%	0.601	S	S	.	*	H	α-helix	trans	-59.2	-34.9	172.3	0	0	0	0	0	114.4	D136 E142	D136-A138 HydrophobicContact CB-CB 4.2Å; D136-A138 PolarHBondContact O-N 3.18Å; A138-E142 WeakPolarHBondContact O-CB 3.15Å; A138-E142 PolarHBondContact O-N 2.9Å
139	F	75.1	Confident	63.3	Low	102 Å²	102	110.7 Å²	110.7	45%	0.447	60%	0.598	S	S	.	*	H	α-helix	trans	-72.3	-37.9	176.8	178	-104.2	0	0	0	111.6	F135 D136 D137 E142 I143	F135-F139 HydrophobicContact CD1-CD1 4.27Å; F135-F139 AromaticContact CE1-CD1 3.64Å; F135-F139 HydrophobicContact CE1-CD1 3.64Å; F135-F139 AromaticContact CE1-CE1 3.87Å; F135-F139 HydrophobicContact CE1-CE1 3.87Å; F135-F139 HydrophobicContact CZ-CE1 4.42Å; D136-F139 WeakPolarHBondContact O-CB 3.38Å; D136-F139 PolarHBondContact O-N 3.5Å; D137-F139 VanDerWaalsContact C-N 3.33Å; D137-F139 PolarHBondContact O-N 3.01Å; F139-E142 PolarHBondContact O-N 3.25Å; F139-I143 HydrophobicContact CD1-CD1 3.86Å; F139-I143 HydrophobicContact CE1-CD1 3.26Å; F139-I143 HydrophobicContact CE1-CG1 4.3Å; F139-I143 HydrophobicContact CE2-CD1 4.17Å; F139-I143 HydrophobicContact CE2-CG1 4.5Å; F139-I143 HydrophobicContact CZ-CD1 3.46Å; F139-I143 VanDerWaalsContact CZ-CD1 3.46Å; F139-I143 HydrophobicContact CZ-CG1 4.24Å; F139-I143 WeakPolarHBondContact O-CG1 3.27Å; F139-I143 PolarHBondContact O-N 3.02Å
140	L	76.4	Confident	63.8	Low	93 Å²	93	107.7 Å²	107.7	49%	0.487	58%	0.58	S	S	.	*	H	α-helix	trans	-67.6	-39.4	174.8	-66.9	177.6	0	0	0	111	D137 I143 A144	D137-L140 PolarHBondContact O-N 2.92Å; L140-I143 PolarHBondContact O-N 3.18Å; L140-A144 WeakPolarHBondContact O-CB 3.43Å; L140-A144 PolarHBondContact O-N 3.47Å
141	D	77.4	Confident	64.4	Low	115 Å²	115	105.4 Å²	105.4	62%	0.615	57%	0.572	S	S	*	*	H	α-helix	trans	-64.2	-39.6	172.9	-82.3	-10.2	0	0	0	112.1	D137 A144 S145	D137-D141 PolarHBondContact O-N 3.25Å; D141-A144 PolarHBondContact O-N 3.05Å; D141-S145 WeakPolarHBondContact O-CB 3.48Å; D141-S145 PolarHBondContact O-N 3.05Å
142	E	75.9	Confident	64.7	Low	136 Å²	136	102.3 Å²	102.3	64%	0.636	56%	0.559	S	S	*	*	H	α-helix	trans	-65.3	-40.7	176.3	-170.6	175.8	-176.1	0	0	111.8	A138 F139 S145 F146	A138-E142 WeakPolarHBondContact O-CB 3.15Å; A138-E142 PolarHBondContact O-N 2.9Å; F139-E142 PolarHBondContact O-N 3.25Å; E142-S145 PolarHBondContact O-N 3.2Å; E142-F146 VanDerWaalsContact O-CB 3.32Å; E142-F146 WeakPolarHBondContact O-CB 3.48Å; E142-F146 PolarHBondContact O-N 3.3Å
143	I	72.7	Confident	65	Low	68 Å²	68	104.9 Å²	104.9	35%	0.349	57%	0.567	S	S	.	*	H	α-helix	trans	-65.8	-45.4	174.2	-70.8	174.9	0	0	0	111	F139 L140 S145 F146 M147	F139-I143 HydrophobicContact CD1-CD1 3.86Å; F139-I143 HydrophobicContact CE1-CD1 3.26Å; F139-I143 HydrophobicContact CE1-CG1 4.3Å; F139-I143 HydrophobicContact CE2-CD1 4.17Å; F139-I143 HydrophobicContact CE2-CG1 4.5Å; F139-I143 HydrophobicContact CZ-CD1 3.46Å; F139-I143 VanDerWaalsContact CZ-CD1 3.46Å; F139-I143 HydrophobicContact CZ-CG1 4.24Å; F139-I143 WeakPolarHBondContact O-CG1 3.27Å; F139-I143 PolarHBondContact O-N 3.02Å; L140-I143 PolarHBondContact O-N 3.18Å; I143-S145 VanDerWaalsContact C-N 3.3Å; I143-S145 PolarHBondContact O-N 2.85Å; I143-F146 PolarHBondContact O-N 2.89Å; I143-M147 HydrophobicContact CG2-CE 4.12Å; I143-M147 HydrophobicContact CG2-CG 4.46Å; I143-M147 HydrophobicContact CG2-SD 4.41Å; I143-M147 WeakPolarHBondContact O-CG 3.47Å; I143-M147 PolarHBondContact O-N 2.98Å
144	A	73.3	Confident	64.9	Low	41 Å²	41	104.2 Å²	104.2	34%	0.339	55%	0.553	S	S	.	*	H	α-helix	trans	-62.2	-41	178.7	0	0	0	0	0	111.3	L140 D141 M147 N148	L140-A144 WeakPolarHBondContact O-CB 3.43Å; L140-A144 PolarHBondContact O-N 3.47Å; D141-A144 PolarHBondContact O-N 3.05Å; A144-M147 PolarHBondContact O-N 2.88Å; A144-N148 WeakPolarHBondContact O-CB 3.46Å; A144-N148 PolarHBondContact O-N 2.98Å
145	S	72.8	Confident	65.1	Low	54 Å²	54	105.9 Å²	105.9	38%	0.378	56%	0.555	S	S	.	*	H	α-helix	trans	-62.4	-45.9	173.2	-172.8	0	0	0	0	111.7	D141 E142 I143 M147 N148 H149	D141-S145 WeakPolarHBondContact O-CB 3.48Å; D141-S145 PolarHBondContact O-N 3.05Å; E142-S145 PolarHBondContact O-N 3.2Å; I143-S145 VanDerWaalsContact C-N 3.3Å; I143-S145 PolarHBondContact O-N 2.85Å; S145-M147 PolarHBondContact O-N 2.8Å; S145-N148 PolarHBondContact O-N 3.15Å; S145-H149 WeakPolarHBondContact O-CB 3.38Å; S145-H149 PolarHBondContact O-CD2 3.01Å; S145-H149 PolarHBondContact O-N 2.81Å; S145-H149 PolarHBondContact OG-CD2 3.37Å; S145-H149 VanDerWaalsContact OG-CD2 3.23Å
146	F	69.7	Low	65.2	Low	157 Å²	157	107.3 Å²	107.3	69%	0.689	56%	0.561	S	S	*	*	H	α-helix	trans	-61.4	-41	176.6	178.8	-99.5	0	0	0	112.7	E142 I143 S150	E142-F146 VanDerWaalsContact O-CB 3.32Å; E142-F146 WeakPolarHBondContact O-CB 3.48Å; E142-F146 PolarHBondContact O-N 3.3Å; I143-F146 PolarHBondContact O-N 2.89Å; F146-S150 PolarHBondContact O-N 3.11Å; F146-S150 VanDerWaalsContact O-N 3.11Å
147	M	66	Low	64.7	Low	118 Å²	118	105.9 Å²	105.9	58%	0.581	57%	0.565	S	S	*	*	H	α-helix	trans	-66.2	-41.6	176	-69.4	-168.9	-57.2	0	0	111.7	I143 A144 S145 S150	I143-M147 HydrophobicContact CG2-CE 4.12Å; I143-M147 HydrophobicContact CG2-CG 4.46Å; I143-M147 HydrophobicContact CG2-SD 4.41Å; I143-M147 WeakPolarHBondContact O-CG 3.47Å; I143-M147 PolarHBondContact O-N 2.98Å; A144-M147 PolarHBondContact O-N 2.88Å; S145-M147 PolarHBondContact O-N 2.8Å; M147-S150 PolarHBondContact O-N 3.03Å; M147-S150 PolarHBondContact O-OG 3.11Å
148	N	68	Low	63.6	Low	142 Å²	142	104.4 Å²	104.4	76%	0.759	56%	0.564	S	S	*	*	H	α-helix	trans	-74.8	-23.7	179	-79.8	-8.6	0	0	0	114.2	A144 S145	A144-N148 WeakPolarHBondContact O-CB 3.46Å; A144-N148 PolarHBondContact O-N 2.98Å; S145-N148 PolarHBondContact O-N 3.15Å
149	H	57.4	Low	62.5	Low	145 Å²	145	105 Å²	105	67%	0.671	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	5.8	174.3	-67	-51.5	0	0	0	113.2	S145 E151	S145-H149 WeakPolarHBondContact O-CB 3.38Å; S145-H149 PolarHBondContact O-CD2 3.01Å; S145-H149 PolarHBondContact O-N 2.81Å; S145-H149 PolarHBondContact OG-CD2 3.37Å; S145-H149 VanDerWaalsContact OG-CD2 3.23Å; H149-E151 VanDerWaalsContact C-N 3.34Å; H149-E151 PolarHBondContact O-N 3.22Å
150	S	52.8	Low	61.6	Low	42 Å²	42	105 Å²	105	29%	0.294	56%	0.562	S	S	.	*			trans	-64.8	103.5	170.1	69.4	0	0	0	0	108	F146 M147 T152 D153	F146-S150 PolarHBondContact O-N 3.11Å; F146-S150 VanDerWaalsContact O-N 3.11Å; M147-S150 PolarHBondContact O-N 3.03Å; M147-S150 PolarHBondContact O-OG 3.11Å; S150-T152 WeakPolarHBondContact CB-OG1 3.5Å; S150-T152 PolarHBondContact O-N 3.48Å; S150-T152 PolarHBondContact O-OG1 3.35Å; S150-T152 PolarHBondContact OG-OG1 2.96Å; S150-D153 PolarHBondContact O-N 3.04Å
151	E	52.2	Low	60.7	Low	156 Å²	156	107 Å²	107	73%	0.729	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.4	2.9	167.8	-165.8	178.1	178.8	0	0	113.2	H149 L155	H149-E151 VanDerWaalsContact C-N 3.34Å; H149-E151 PolarHBondContact O-N 3.22Å; E151-L155 WeakPolarHBondContact O-CD1 3.42Å; E151-L155 PolarHBondContact O-N 3.3Å
152	T	53.7	Low	59.6	Low	72 Å²	72	106.9 Å²	106.9	44%	0.442	57%	0.569	S	S	.	*	H	α-helix	trans	-71	-28.9	177.8	50.6	0	0	0	0	113.5	S150 L155 F156	S150-T152 WeakPolarHBondContact CB-OG1 3.5Å; S150-T152 PolarHBondContact O-N 3.48Å; S150-T152 PolarHBondContact O-OG1 3.35Å; S150-T152 PolarHBondContact OG-OG1 2.96Å; T152-L155 PolarHBondContact O-N 2.96Å; T152-F156 VanDerWaalsContact O-CD2 3.27Å; T152-F156 WeakPolarHBondContact O-CD2 3.28Å
153	D	53.4	Low	58.8	Low	127 Å²	127	103.1 Å²	103.1	68%	0.679	56%	0.561	S	S	*	*	H	α-helix	trans	-70.1	-35.3	178.4	-76.1	-9.9	0	0	0	111.7	S150 L155 F156 A157	S150-D153 PolarHBondContact O-N 3.04Å; D153-L155 VanDerWaalsContact C-N 3.35Å; D153-F156 PolarHBondContact O-N 3.26Å; D153-A157 PolarHBondContact O-N 2.82Å
154	D	54	Low	58.1	Low	120 Å²	120	104.1 Å²	104.1	64%	0.642	57%	0.567	S	S	*	*	H	α-helix	trans	-74.1	-25	175.3	-81.7	-16.2	0	0	0	113.1	F156 S158	D154-F156 VanDerWaalsContact C-N 3.27Å; D154-F156 PolarHBondContact O-N 3.09Å; D154-S158 PolarHBondContact O-N 2.94Å; D154-S158 PolarHBondContact O-OG 2.98Å
155	L	53.8	Low	57.3	Low	111 Å²	111	106.2 Å²	106.2	58%	0.581	58%	0.579	S	S	*	*	H	α-helix	trans	-66	-30	177	-114.1	111	0	0	0	112.5	E151 T152 D153 I159	E151-L155 WeakPolarHBondContact O-CD1 3.42Å; E151-L155 PolarHBondContact O-N 3.3Å; T152-L155 PolarHBondContact O-N 2.96Å; D153-L155 VanDerWaalsContact C-N 3.35Å; L155-I159 WeakPolarHBondContact O-CG1 3.42Å
156	F	51.8	Low	56.2	Low	152 Å²	152	112.3 Å²	112.3	67%	0.667	59%	0.593	S	S	*	*	H	α-helix	trans	-93.9	-32.3	176.4	-67.1	-73.5	0	0	0	112.7	T152 D153 D154 S158 I159	T152-F156 VanDerWaalsContact O-CD2 3.27Å; T152-F156 WeakPolarHBondContact O-CD2 3.28Å; D153-F156 PolarHBondContact O-N 3.26Å; D154-F156 VanDerWaalsContact C-N 3.27Å; D154-F156 PolarHBondContact O-N 3.09Å; F156-S158 PolarHBondContact O-N 3.33Å; F156-I159 HydrophobicContact CD1-CD1 4.09Å; F156-I159 PolarHBondContact O-N 3.18Å
157	A	55	Low	55.4	Low	81 Å²	81	108.7 Å²	108.7	67%	0.669	59%	0.588	S	S	*	*	H	α-helix	trans	-64.5	-25.2	178.1	0	0	0	0	0	113.3	D153	D153-A157 PolarHBondContact O-N 2.82Å
158	S	50.4	Low	54.5	Low	96 Å²	96	110.4 Å²	110.4	67%	0.671	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-2.6	180	51.3	0	0	0	0	114.5	D154 F156 D160	D154-S158 PolarHBondContact O-N 2.94Å; D154-S158 PolarHBondContact O-OG 2.98Å; F156-S158 PolarHBondContact O-N 3.33Å; S158-D160 PolarHBondContact O-N 3.46Å
159	I	50.6	Low	53.5	Low	77 Å²	77	106.8 Å²	106.8	40%	0.395	58%	0.584	S	S	.	*			trans	-79.1	92	170.3	-59	173.9	0	0	0	107.4	L155 F156 L161 L164	L155-I159 WeakPolarHBondContact O-CG1 3.42Å; F156-I159 HydrophobicContact CD1-CD1 4.09Å; F156-I159 PolarHBondContact O-N 3.18Å; I159-L161 PolarHBondContact O-N 3.31Å; I159-L164 HydrophobicContact CG2-CD1 3.29Å
160	D	55.9	Low	53.1	Low	101 Å²	101	107.5 Å²	107.5	54%	0.54	59%	0.593	S	S	.	*			trans	-62.9	98.9	170.7	-171.1	-3.5	0	0	0	109	S158 E162 A163 L164	S158-D160 PolarHBondContact O-N 3.46Å; D160-E162 PolarHBondContact O-N 3.43Å; D160-E162 WeakPolarHBondContact OD1-CB 3.5Å; D160-E162 PolarHBondContact OD1-N 3.38Å; D160-E162 VanDerWaalsContact OD1-N 3.15Å; D160-A163 HydrophobicContact CB-CB 4.08Å; D160-A163 WeakPolarHBondContact O-CB 3.35Å; D160-A163 PolarHBondContact O-N 3.16Å; D160-L164 PolarHBondContact O-N 3.18Å
161	L	57.8	Low	52.4	Low	135 Å²	135	110.6 Å²	110.6	71%	0.707	61%	0.61	S	S	*	*	H	α-helix	trans	-58.4	-26.6	179.5	-71.7	169.6	0	0	0	111.3	I159 L164 S165	I159-L161 PolarHBondContact O-N 3.31Å; L161-L164 PolarHBondContact O-N 2.99Å; L161-S165 WeakPolarHBondContact O-CB 3.41Å; L161-S165 PolarHBondContact O-N 3.44Å
162	E	55.4	Low	51.9	Low	114 Å²	114	109.3 Å²	109.3	53%	0.533	62%	0.618	S	S	.	*	H	α-helix	trans	-68.9	-35.2	173.5	-69	-158.8	179.3	0	0	112.3	D160 S165 R166	D160-E162 PolarHBondContact O-N 3.43Å; D160-E162 WeakPolarHBondContact OD1-CB 3.5Å; D160-E162 PolarHBondContact OD1-N 3.38Å; D160-E162 VanDerWaalsContact OD1-N 3.15Å; E162-S165 PolarHBondContact O-N 3.19Å; E162-R166 WeakPolarHBondContact O-CB 3.28Å; E162-R166 VanDerWaalsContact O-CG 3.28Å; E162-R166 WeakPolarHBondContact O-CG 3.33Å; E162-R166 PolarHBondContact O-N 2.8Å; E162-R166 IonicContact OE2-CZ 3.84Å; E162-R166 IonicContact OE2-NE 2.71Å; E162-R166 IonicContact OE2-NH2 3.65Å; E162-R166 PolarHBondContact OE2-NH2 3.15Å
163	A	59.2	Low	51.2	Low	57 Å²	57	110.5 Å²	110.5	47%	0.471	63%	0.626	S	S	.	*	H	α-helix	trans	-66.9	-38.8	176.1	0	0	0	0	0	111.5	D160 S167	D160-A163 HydrophobicContact CB-CB 4.08Å; D160-A163 WeakPolarHBondContact O-CB 3.35Å; D160-A163 PolarHBondContact O-N 3.16Å; A163-S167 WeakPolarHBondContact O-CB 3.5Å; A163-S167 PolarHBondContact O-N 2.91Å; A163-S167 VanDerWaalsContact O-N 3.1Å
164	L	57.4	Low	50.5	Low	89 Å²	89	110.4 Å²	110.4	47%	0.466	63%	0.63	S	S	.	*	H	α-helix	trans	-64	-44.3	171.7	-99.6	135.3	0	0	0	111.5	I159 D160 L161 R166 S167 Q168	I159-L164 HydrophobicContact CG2-CD1 3.29Å; D160-L164 PolarHBondContact O-N 3.18Å; L161-L164 PolarHBondContact O-N 2.99Å; L164-R166 PolarHBondContact O-N 3.14Å; L164-S167 PolarHBondContact O-N 2.86Å; L164-S167 PolarHBondContact O-OG 3.17Å; L164-Q168 PolarHBondContact O-N 3.48Å
165	S	57.1	Low	49.7	Very low	85 Å²	85	110 Å²	110	59%	0.594	64%	0.635	S	S	*	*	H	α-helix	trans	-67.7	-35.3	-179.4	-148.5	0	0	0	0	112.7	L161 E162 Q168	L161-S165 WeakPolarHBondContact O-CB 3.41Å; L161-S165 PolarHBondContact O-N 3.44Å; E162-S165 PolarHBondContact O-N 3.19Å; S165-Q168 PolarHBondContact O-N 3.48Å
166	R	49.3	Very low	48.9	Very low	181 Å²	181	110.1 Å²	110.1	68%	0.683	64%	0.641	S	S	*	*	H	α-helix	trans	-72.9	-27.7	174.6	-68.6	177.2	-161.5	179.6	8.4	112.7	E162 L164 Q168 A169	E162-R166 WeakPolarHBondContact O-CB 3.28Å; E162-R166 VanDerWaalsContact O-CG 3.28Å; E162-R166 WeakPolarHBondContact O-CG 3.33Å; E162-R166 PolarHBondContact O-N 2.8Å; E162-R166 IonicContact OE2-CZ 3.84Å; E162-R166 IonicContact OE2-NE 2.71Å; E162-R166 IonicContact OE2-NH2 3.65Å; E162-R166 PolarHBondContact OE2-NH2 3.15Å; L164-R166 PolarHBondContact O-N 3.14Å; R166-Q168 VanDerWaalsContact C-N 3.29Å; R166-Q168 PolarHBondContact O-N 3.29Å; R166-A169 PolarHBondContact O-N 2.94Å
167	S	52.2	Low	48.5	Very low	82 Å²	82	108.9 Å²	108.9	57%	0.573	65%	0.646	S	S	*	*	H	α-helix	trans	-72	-20.7	176.2	75.5	0	0	0	0	114	A163 L164 A169	A163-S167 WeakPolarHBondContact O-CB 3.5Å; A163-S167 PolarHBondContact O-N 2.91Å; A163-S167 VanDerWaalsContact O-N 3.1Å; L164-S167 PolarHBondContact O-N 2.86Å; L164-S167 PolarHBondContact O-OG 3.17Å; S167-A169 VanDerWaalsContact C-N 3.34Å
168	Q	48.2	Very low	47.7	Very low	153 Å²	153	110.6 Å²	110.6	72%	0.715	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-11.5	174.7	-74.6	-173.6	-0.7	0	0	113.7	L164 S165 R166 N170	L164-Q168 PolarHBondContact O-N 3.48Å; S165-Q168 PolarHBondContact O-N 3.48Å; R166-Q168 VanDerWaalsContact C-N 3.29Å; R166-Q168 PolarHBondContact O-N 3.29Å; Q168-N170 PolarHBondContact O-N 2.9Å; Q168-N170 VanDerWaalsContact O-N 3.08Å
169	A	46.6	Very low	47.2	Very low	66 Å²	66	117 Å²	117	55%	0.545	66%	0.657	S	S	.	*	S	Bend	trans	-85.5	75.9	176.5	0	0	0	0	0	111.3	R166 S167 T171	R166-A169 PolarHBondContact O-N 2.94Å; S167-A169 VanDerWaalsContact C-N 3.34Å; A169-T171 PolarHBondContact O-N 2.87Å
170	N	48.6	Very low	46.7	Very low	161 Å²	161	122.4 Å²	122.4	86%	0.861	68%	0.678	S	S	*	*	S	Bend	trans	39.1	48.2	147.6	-64	-26.5	0	0	0	119.2	Q168	Q168-N170 PolarHBondContact O-N 2.9Å; Q168-N170 VanDerWaalsContact O-N 3.08Å
171	T	38.7	Very low	46.3	Very low	107 Å²	107	128.4 Å²	128.4	66%	0.656	69%	0.693	S	S	*	*			trans	-141.3	133.5	158.3	55	0	0	0	0	110.9	A169 T173	A169-T171 PolarHBondContact O-N 2.87Å; T171-T173 PolarHBondContact O-N 3.27Å; T171-T173 PolarHBondContact OG1-OG1 3.12Å; T171-T173 VanDerWaalsContact OG1-OG1 3.14Å
172	S	41.6	Very low	45.6	Very low	128 Å²	128	127.3 Å²	127.3	90%	0.895	69%	0.694	S	S	*	*			trans	-72.3	64.2	171.5	72.7	0	0	0	0	109.9
173	T	38.5	Very low	45	Very low	98 Å²	98	126.8 Å²	126.8	60%	0.601	71%	0.709	S	S	*	*			trans	-89	116.5	175.6	-49.7	0	0	0	0	107.3	T171 C175	T171-T173 PolarHBondContact O-N 3.27Å; T171-T173 PolarHBondContact OG1-OG1 3.12Å; T171-T173 VanDerWaalsContact OG1-OG1 3.14Å; T173-C175 VanDerWaalsContact C-N 3.29Å; T173-C175 PolarHBondContact O-N 3.16Å
174	T	37.9	Very low	43.9	Very low	125 Å²	125	129.9 Å²	129.9	77%	0.767	72%	0.723	S	S	*	*			trans	-56.6	92	172.5	-40.4	0	0	0	0	108.7	T176	T174-T176 VanDerWaalsContact C-N 3.33Å; T174-T176 PolarHBondContact O-N 3.39Å
175	C	37.7	Very low	43	Very low	110 Å²	110	135.7 Å²	135.7	74%	0.743	74%	0.744	S	S	*	*			trans	-68.7	93.1	174.6	-90.2	0	0	0	0	108.7	T173 T177	T173-C175 VanDerWaalsContact C-N 3.29Å; T173-C175 PolarHBondContact O-N 3.16Å; C175-T177 PolarHBondContact O-N 3.06Å; C175-T177 VanDerWaalsContact O-N 3.12Å
176	T	37.7	Very low	42.2	Very low	114 Å²	114	136.8 Å²	136.8	70%	0.699	75%	0.752	S	S	*	*			trans	-69.8	101.3	159.6	52.9	0	0	0	0	107.2	T174 V178	T174-T176 VanDerWaalsContact C-N 3.33Å; T174-T176 PolarHBondContact O-N 3.39Å; T176-V178 VanDerWaalsContact C-N 3.32Å; T176-V178 PolarHBondContact O-N 2.82Å
177	T	43.4	Very low	41.6	Very low	127 Å²	127	131 Å²	131	78%	0.779	75%	0.749	S	S	*	*			trans	-65.5	93.7	169.4	32.3	0	0	0	0	108.8	C175 R179	C175-T177 PolarHBondContact O-N 3.06Å; C175-T177 VanDerWaalsContact O-N 3.12Å; T177-R179 VanDerWaalsContact C-N 3.29Å; T177-R179 PolarHBondContact O-N 3.42Å
178	V	36.8	Very low	40.7	Very low	117 Å²	117	134.8 Å²	134.8	71%	0.709	76%	0.763	S	S	*	*			trans	-72.8	92.1	165.9	-178.1	0	0	0	0	106.5	T176 K180	T176-V178 VanDerWaalsContact C-N 3.32Å; T176-V178 PolarHBondContact O-N 2.82Å; V178-K180 VanDerWaalsContact C-N 3.33Å; V178-K180 PolarHBondContact O-N 3.06Å
179	R	40.5	Very low	40	Very low	231 Å²	231	133.7 Å²	133.7	87%	0.872	77%	0.767	S	S	*	*			trans	-60	95.6	168	-80.7	178.6	159.4	167.7	-6.3	108.5	T177 R181	T177-R179 VanDerWaalsContact C-N 3.29Å; T177-R179 PolarHBondContact O-N 3.42Å; R179-R181 PolarHBondContact O-N 2.88Å; R179-R181 VanDerWaalsContact O-N 3.1Å
180	K	40.3	Very low	39.8	Very low	190 Å²	190	136.3 Å²	136.3	83%	0.826	78%	0.778	S	S	*	*			trans	-71.4	98.5	160.2	-75.6	-177.2	178.8	179	0	106.3	V178	V178-K180 VanDerWaalsContact C-N 3.33Å; V178-K180 PolarHBondContact O-N 3.06Å
181	R	48	Very low	39.1	Very low	226 Å²	226	134.6 Å²	134.6	85%	0.853	77%	0.774	S	S	*	*			trans	-55.8	135.6	164.8	-76.8	-169.2	173.8	119.5	-3.5	107.6	R179 A183	R179-R181 PolarHBondContact O-N 2.88Å; R179-R181 VanDerWaalsContact O-N 3.1Å; R181-A183 PolarHBondContact O-N 3.24Å; R181-A183 VanDerWaalsContact O-N 3.11Å
182	P	43.3	Very low	39.2	Very low	112 Å²	112	134.7 Å²	134.7	73%	0.727	78%	0.779	S	S	*	*			trans	-59.1	120.7	174.2	19.6	-26.4	0	0	0	108.5	T184	P182-T184 VanDerWaalsContact C-N 3.27Å; P182-T184 PolarHBondContact O-N 2.75Å
183	A	42.1	Very low	39.2	Very low	104 Å²	104	134 Å²	134	86%	0.86	77%	0.774	S	S	*	*			trans	-67.1	86.7	179.4	0	0	0	0	0	109.1	R181	R181-A183 PolarHBondContact O-N 3.24Å; R181-A183 VanDerWaalsContact O-N 3.11Å
184	T	35.2	Very low	39	Very low	122 Å²	122	135.6 Å²	135.6	75%	0.748	78%	0.784	S	S	*	*			trans	-136.6	62.1	171.2	50.3	0	0	0	0	109.9	P182	P182-T184 VanDerWaalsContact C-N 3.27Å; P182-T184 PolarHBondContact O-N 2.75Å
185	F	39.9	Very low	39.1	Very low	210 Å²	210	137.9 Å²	137.9	92%	0.921	78%	0.783	S	S	*	*	S	Bend	trans	-158.5	132.7	139.8	-156.9	-112.2	0	0	0	109.6
186	S	38.8	Very low	39.4	Very low	108 Å²	108	137.3 Å²	137.3	76%	0.755	79%	0.786	S	S	*	*			trans	-59.6	139.9	-166.8	-162.6	0	0	0	0	113.9
187	G	38.5	Very low	39.4	Very low	61 Å²	61	138.2 Å²	138.2	63%	0.629	78%	0.783	S	S	*	*			trans	52.1	86.2	147.8	0	0	0	0	0	118.2
188	D	33.5	Very low	39.3	Very low	161 Å²	161	139.1 Å²	139.1	86%	0.861	78%	0.782	S	S	*	*				-167.5	130	129.3	-93.1	-27.9	0	0	0	108.6	P190	D188-P190 WeakPolarHBondContact O-CD 3.37Å
189	T	32.2	Very low	39.4	Very low	129 Å²	129	141.4 Å²	141.4	79%	0.791	79%	0.785	S	S	*	*			trans	-94.4	99.2	178.7	34.7	0	0	0	0	108.7	T191	T189-T191 VanDerWaalsContact C-N 3.3Å; T189-T191 PolarHBondContact O-N 3.43Å
190	P	42.4	Very low	39.5	Very low	122 Å²	122	139.2 Å²	139.2	79%	0.792	78%	0.782	S	S	*	*			trans	-77.1	94.2	162.8	29.6	-29.9	0	0	0	107.7	D188	D188-P190 WeakPolarHBondContact O-CD 3.37Å
191	T	34	Very low	39.5	Very low	124 Å²	124	134.2 Å²	134.2	76%	0.761	77%	0.771	S	S	*	*			trans	-51.1	145.3	158.5	42.5	0	0	0	0	110.9	T189	T189-T191 VanDerWaalsContact C-N 3.3Å; T189-T191 PolarHBondContact O-N 3.43Å
192	S	40.1	Very low	39.5	Very low	109 Å²	109	128.9 Å²	128.9	76%	0.762	77%	0.768	S	S	*	*			trans	97.6	101.7	171.2	90	0	0	0	0	116.3	T194	S192-T194 PolarHBondContact O-N 2.88Å; S192-T194 VanDerWaalsContact O-N 3.11Å
193	S	42	Very low	39.8	Very low	114 Å²	114	132.3 Å²	132.3	80%	0.797	77%	0.772	S	S	*	*			trans	-47	99.4	162.7	155.2	0	0	0	0	112.7
194	T	34.7	Very low	40	Very low	131 Å²	131	132.9 Å²	132.9	80%	0.804	76%	0.76	S	S	*	*			trans	-118	83.3	148.8	34	0	0	0	0	108.5	S192 A196	S192-T194 PolarHBondContact O-N 2.88Å; S192-T194 VanDerWaalsContact O-N 3.11Å; T194-A196 PolarHBondContact O-N 3.31Å
195	K	41.2	Very low	40.7	Very low	174 Å²	174	131 Å²	131	76%	0.757	76%	0.758	S	S	*	*			trans	-53	95.4	169.9	-168	178	-173.1	179.1	0	108.7	Q197	K195-Q197 PolarHBondContact O-N 2.87Å
196	A	42.1	Very low	41.2	Very low	98 Å²	98	126 Å²	126	81%	0.81	75%	0.748	S	S	*	*			trans	-70.3	76.1	171	0	0	0	0	0	108.8	T194 L198	T194-A196 PolarHBondContact O-N 3.31Å; A196-L198 PolarHBondContact O-N 3.27Å; A196-L198 VanDerWaalsContact O-N 3.15Å
197	Q	37.9	Very low	41.6	Very low	133 Å²	133	129.2 Å²	129.2	62%	0.621	75%	0.749	S	S	*	*			trans	-73.6	101.2	172.5	-167.8	169.8	3.1	0	0	106.8	K195 Q199	K195-Q197 PolarHBondContact O-N 2.87Å; Q197-Q199 PolarHBondContact O-N 2.77Å
198	L	41.8	Very low	42.2	Very low	145 Å²	145	135.8 Å²	135.8	76%	0.759	76%	0.756	S	S	*	*			trans	-62.5	89.2	170.8	-75.7	163.3	0	0	0	108.4	A196 F200	A196-L198 PolarHBondContact O-N 3.27Å; A196-L198 VanDerWaalsContact O-N 3.15Å; L198-F200 HydrophobicContact CB-CE2 4.18Å; L198-F200 PolarHBondContact O-N 3Å; L198-F200 VanDerWaalsContact O-N 3.16Å
199	Q	38.7	Very low	42.6	Very low	166 Å²	166	134 Å²	134	78%	0.776	74%	0.742	S	S	*	*			trans	-74.1	98.4	169.4	-77.6	-174.1	-12	0	0	108	Q197 S201	Q197-Q199 PolarHBondContact O-N 2.77Å; Q199-S201 PolarHBondContact O-N 2.9Å
200	F	42.3	Very low	43.6	Very low	184 Å²	184	136.3 Å²	136.3	81%	0.807	74%	0.741	S	S	*	*			trans	-70.7	97.5	162.5	-71.3	-83.9	0	0	0	107.8	L198 S202	L198-F200 HydrophobicContact CB-CE2 4.18Å; L198-F200 PolarHBondContact O-N 3Å; L198-F200 VanDerWaalsContact O-N 3.16Å; F200-S202 PolarHBondContact O-N 3.06Å
201	S	40.3	Very low	44	Very low	85 Å²	85	139.8 Å²	139.8	59%	0.594	74%	0.739	S	S	*	*			trans	-69.6	115	171.5	56.1	0	0	0	0	109.1	Q199 K203	Q199-S201 PolarHBondContact O-N 2.9Å; S201-K203 PolarHBondContact O-N 3.5Å
202	S	49.5	Very low	45	Very low	114 Å²	114	138.1 Å²	138.1	80%	0.797	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	13.5	178.5	43	0	0	0	0	115	F200	F200-S202 PolarHBondContact O-N 3.06Å
203	K	48.4	Very low	45.6	Very low	184 Å²	184	141 Å²	141	80%	0.8	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-17	-178.5	-84.1	-178.5	175	177.8	0	114.7	S201	S201-K203 PolarHBondContact O-N 3.5Å
204	D	46.9	Very low	46.1	Very low	116 Å²	116	141.4 Å²	141.4	62%	0.62	72%	0.72	S	S	*	*	S	Bend	trans	-98.5	0.1	-176.5	-79.8	-35	0	0	0	115.5	S206	D204-S206 VanDerWaalsContact C-N 3.32Å; D204-S206 PolarHBondContact O-N 3.39Å
205	A	49.5	Very low	47.3	Very low	84 Å²	84	143.2 Å²	143.2	69%	0.694	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-12.2	-178.3	0	0	0	0	0	114.6
206	S	50.6	Low	48.6	Very low	104 Å²	104	139.1 Å²	139.1	73%	0.727	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-15.9	-175	69.5	0	0	0	0	114.8	D204	D204-S206 VanDerWaalsContact C-N 3.32Å; D204-S206 PolarHBondContact O-N 3.39Å
207	K	48.1	Very low	49.7	Very low	176 Å²	176	139 Å²	139	77%	0.765	69%	0.688	S	S	*	*	S	Bend	trans	-89.4	-16.7	-177.5	-71.8	-166.7	179.3	-177.7	0	114.7	E209	K207-E209 PolarHBondContact O-N 2.96Å
208	Y	49.7	Very low	51.1	Low	199 Å²	199	137.7 Å²	137.7	78%	0.78	69%	0.686	S	S	*	*	S	Bend	trans	-84.3	63.9	170.6	-64.3	-79.6	0	0	0	109.3	K210	Y208-K210 PolarHBondContact O-N 3Å
209	E	42.6	Very low	52.4	Low	122 Å²	122	136.7 Å²	136.7	57%	0.57	68%	0.677	S	S	*	*			trans	-55.8	108.9	171.7	-158.9	-178.2	174.4	0	0	107.6	K207 R211	K207-E209 PolarHBondContact O-N 2.96Å; E209-R211 HydrophobicContact CG-CG 4.27Å; E209-R211 PolarHBondContact O-N 3.39Å; E209-R211 WeakPolarHBondContact OE1-CD 3.42Å; E209-R211 IonicContact OE1-CZ 3.43Å; E209-R211 IonicContact OE1-NE 3.57Å; E209-R211 IonicContact OE1-NH1 2.81Å; E209-R211 PolarHBondContact OE1-NH1 2.73Å
210	K	52.1	Low	53.8	Low	178 Å²	178	134.4 Å²	134.4	77%	0.774	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	19.9	-174.9	-70.7	178.5	174.2	175.7	0	114.9	Y208 H214	Y208-K210 PolarHBondContact O-N 3Å; K210-H214 PolarHBondContact O-CD2 2.87Å
211	R	51.7	Low	54.9	Low	195 Å²	195	129.8 Å²	129.8	74%	0.736	65%	0.65	S	S	*	*	H	α-helix	trans	-86.6	-20.8	-171.6	-75.4	-176.9	172.8	168.2	-12.5	114.8	E209	E209-R211 HydrophobicContact CG-CG 4.27Å; E209-R211 PolarHBondContact O-N 3.39Å; E209-R211 WeakPolarHBondContact OE1-CD 3.42Å; E209-R211 IonicContact OE1-CZ 3.43Å; E209-R211 IonicContact OE1-NE 3.57Å; E209-R211 IonicContact OE1-NH1 2.81Å; E209-R211 PolarHBondContact OE1-NH1 2.73Å
212	S	55	Low	56.3	Low	89 Å²	89	130.9 Å²	130.9	62%	0.622	65%	0.649	S	S	*	*	H	α-helix	trans	-90.1	-29.7	-176.5	61.7	0	0	0	0	114.9	H214	S212-H214 PolarHBondContact O-N 3.19Å
213	F	52.4	Low	57.1	Low	169 Å²	169	132.7 Å²	132.7	74%	0.741	64%	0.643	S	S	*	*	H	α-helix	trans	-69.3	-34.7	-176.8	-97.7	-84.4	0	0	0	113.3	L217	F213-L217 PolarHBondContact O-N 3.48Å
214	H	51.8	Low	57.5	Low	124 Å²	124	130.2 Å²	130.2	57%	0.574	64%	0.637	S	S	*	*	H	α-helix	trans	-71.6	-31.8	-177.5	-71.1	-71.3	0	0	0	113.4	K210 S212 N218	K210-H214 PolarHBondContact O-CD2 2.87Å; S212-H214 PolarHBondContact O-N 3.19Å; H214-N218 PolarHBondContact O-N 2.71Å
215	K	60.8	Low	58	Low	169 Å²	169	128.4 Å²	128.4	74%	0.735	64%	0.639	S	S	*	*	H	α-helix	trans	-65.8	-44.3	177.2	-90.6	-173.9	173.5	-175.2	0	112.1	L217 E219	K215-L217 VanDerWaalsContact C-N 3.34Å; K215-L217 PolarHBondContact O-N 3.45Å; K215-E219 PolarHBondContact O-N 3.47Å; K215-E219 VanDerWaalsContact O-N 3.16Å
216	N	68.1	Low	58.1	Low	88 Å²	88	130.2 Å²	130.2	47%	0.471	64%	0.637	S	S	.	*	H	α-helix	trans	-64.9	-39.5	179.8	-169	-42.3	0	0	0	111.6	E219 Q220	N216-E219 PolarHBondContact O-N 3.32Å; N216-Q220 WeakPolarHBondContact O-CG 3.47Å; N216-Q220 PolarHBondContact O-N 2.92Å; N216-Q220 PolarHBondContact OD1-NE2 2.83Å
217	L	65.4	Low	58.3	Low	94 Å²	94	128.2 Å²	128.2	49%	0.492	63%	0.627	S	S	.	*	H	α-helix	trans	-69.2	-39.8	-177.8	-144.5	151.2	0	0	0	112.3	F213 K215 E219 Q220 L221	F213-L217 PolarHBondContact O-N 3.48Å; K215-L217 VanDerWaalsContact C-N 3.34Å; K215-L217 PolarHBondContact O-N 3.45Å; L217-E219 VanDerWaalsContact C-N 3.35Å; L217-Q220 PolarHBondContact O-N 3.4Å; L217-L221 HydrophobicContact CD2-CD1 3.76Å; L217-L221 HydrophobicContact CD2-CG 4.15Å; L217-L221 WeakPolarHBondContact O-CG 3.32Å; L217-L221 PolarHBondContact O-N 2.9Å
218	N	67.5	Low	58.4	Low	107 Å²	107	126.9 Å²	126.9	57%	0.572	63%	0.628	S	S	*	*	H	α-helix	trans	-64.6	-40.2	173.4	-83.1	5.7	0	0	0	111.9	H214 Q220 L221 D222	H214-N218 PolarHBondContact O-N 2.71Å; N218-Q220 VanDerWaalsContact C-N 3.31Å; N218-Q220 PolarHBondContact O-N 3.24Å; N218-L221 PolarHBondContact O-N 2.78Å; N218-D222 PolarHBondContact O-N 2.72Å
219	E	69	Low	58.5	Low	123 Å²	123	124.3 Å²	124.3	58%	0.575	63%	0.628	S	S	*	*	H	α-helix	trans	-66.3	-33.3	178.2	-158.1	175.4	-164.8	0	0	112.2	K215 N216 L217 K223	K215-E219 PolarHBondContact O-N 3.47Å; K215-E219 VanDerWaalsContact O-N 3.16Å; N216-E219 PolarHBondContact O-N 3.32Å; L217-E219 VanDerWaalsContact C-N 3.35Å; E219-K223 WeakPolarHBondContact O-CG 3.24Å; E219-K223 PolarHBondContact O-N 3.1Å
220	Q	68.2	Low	59	Low	118 Å²	118	123.4 Å²	123.4	55%	0.551	63%	0.627	S	S	*	*	H	α-helix	trans	-70.7	-36.6	171.6	-72.8	-175	-5.9	0	0	112.8	N216 L217 N218 K223 L224	N216-Q220 WeakPolarHBondContact O-CG 3.47Å; N216-Q220 PolarHBondContact O-N 2.92Å; N216-Q220 PolarHBondContact OD1-NE2 2.83Å; L217-Q220 PolarHBondContact O-N 3.4Å; N218-Q220 VanDerWaalsContact C-N 3.31Å; N218-Q220 PolarHBondContact O-N 3.24Å; Q220-K223 PolarHBondContact O-N 2.89Å; Q220-L224 WeakPolarHBondContact O-CB 3.23Å; Q220-L224 PolarHBondContact O-N 3.1Å
221	L	65.5	Low	59.3	Low	88 Å²	88	121.2 Å²	121.2	46%	0.461	62%	0.619	S	S	.	*	H	α-helix	trans	-69.5	-39.7	177	-73.3	171.9	0	0	0	111.8	L217 N218 K223 L224 A225	L217-L221 HydrophobicContact CD2-CD1 3.76Å; L217-L221 HydrophobicContact CD2-CG 4.15Å; L217-L221 WeakPolarHBondContact O-CG 3.32Å; L217-L221 PolarHBondContact O-N 2.9Å; N218-L221 PolarHBondContact O-N 2.78Å; L221-K223 VanDerWaalsContact C-N 3.32Å; L221-K223 PolarHBondContact O-N 2.99Å; L221-L224 PolarHBondContact O-N 3.13Å; L221-A225 WeakPolarHBondContact O-CB 3.41Å; L221-A225 PolarHBondContact O-N 3.14Å
222	D	70.2	Confident	59.7	Low	108 Å²	108	119 Å²	119	58%	0.578	62%	0.617	S	S	*	*	H	α-helix	trans	-64.3	-37.3	173.6	-92.2	-4.7	0	0	0	111.7	N218 L224 A225 N226	N218-D222 PolarHBondContact O-N 2.72Å; D222-L224 VanDerWaalsContact C-N 3.32Å; D222-L224 PolarHBondContact O-N 2.81Å; D222-A225 PolarHBondContact O-N 3.35Å; D222-N226 WeakPolarHBondContact O-CB 3.31Å; D222-N226 PolarHBondContact O-N 2.88Å; D222-N226 VanDerWaalsContact O-N 3.14Å; D222-N226 PolarHBondContact O-ND2 3.46Å
223	K	65.7	Low	60.3	Low	151 Å²	151	119 Å²	119	66%	0.657	61%	0.61	S	S	*	*	H	α-helix	trans	-66.2	-34.2	173	-75	178.2	-176	-179	0	112.8	E219 Q220 L221 A227	E219-K223 WeakPolarHBondContact O-CG 3.24Å; E219-K223 PolarHBondContact O-N 3.1Å; Q220-K223 PolarHBondContact O-N 2.89Å; L221-K223 VanDerWaalsContact C-N 3.32Å; L221-K223 PolarHBondContact O-N 2.99Å; K223-A227 PolarHBondContact O-N 3.44Å
224	L	56.8	Low	61.3	Low	132 Å²	132	116.6 Å²	116.6	69%	0.691	60%	0.6	S	S	*	*	H	α-helix	trans	-76	-34.9	178	-162.1	76.9	0	0	0	111.9	Q220 L221 D222 N226 A227	Q220-L224 WeakPolarHBondContact O-CB 3.23Å; Q220-L224 PolarHBondContact O-N 3.1Å; L221-L224 PolarHBondContact O-N 3.13Å; D222-L224 VanDerWaalsContact C-N 3.32Å; D222-L224 PolarHBondContact O-N 2.81Å; L224-N226 VanDerWaalsContact C-N 3.32Å; L224-A227 PolarHBondContact O-N 3.5Å
225	A	57.9	Low	62.2	Low	79 Å²	79	118.1 Å²	118.1	65%	0.653	60%	0.601	S	S	*	*	H	α-helix	trans	-72.5	-26.2	177.9	0	0	0	0	0	113	L221 D222	L221-A225 WeakPolarHBondContact O-CB 3.41Å; L221-A225 PolarHBondContact O-N 3.14Å; D222-A225 PolarHBondContact O-N 3.35Å
226	N	52.2	Low	63	Low	122 Å²	122	113.9 Å²	113.9	65%	0.652	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	8.5	176	-61.7	-59.3	0	0	0	113.2	D222 L224 D228	D222-N226 WeakPolarHBondContact O-CB 3.31Å; D222-N226 PolarHBondContact O-N 2.88Å; D222-N226 VanDerWaalsContact O-N 3.14Å; D222-N226 PolarHBondContact O-ND2 3.46Å; L224-N226 VanDerWaalsContact C-N 3.32Å; N226-D228 VanDerWaalsContact C-N 3.33Å; N226-D228 PolarHBondContact O-N 3.2Å
227	A	54.4	Low	63.7	Low	62 Å²	62	111.9 Å²	111.9	51%	0.512	58%	0.575	S	S	.	*	S	Bend	trans	-73.5	98.3	165.7	0	0	0	0	0	106.1	K223 L224	K223-A227 PolarHBondContact O-N 3.44Å; L224-A227 PolarHBondContact O-N 3.5Å
228	D	49.7	Very low	64.5	Low	147 Å²	147	111.6 Å²	111.6	79%	0.786	57%	0.571	S	S	*	*			trans	-42.7	140.9	174.6	-75.6	-43.3	0	0	0	110.6	N226 D230	N226-D228 VanDerWaalsContact C-N 3.33Å; N226-D228 PolarHBondContact O-N 3.2Å; D228-D230 VanDerWaalsContact C-N 3.25Å; D228-D230 PolarHBondContact O-N 2.79Å
229	D	52.7	Low	65.3	Low	146 Å²	146	114.8 Å²	114.8	78%	0.781	58%	0.575	S	S	*	*			trans	-42.9	77.7	-175.5	-77.6	-48.2	0	0	0	114.4	E231	D229-E231 PolarHBondContact O-N 3.35Å
230	D	52.8	Low	65.9	Low	102 Å²	102	110 Å²	110	55%	0.545	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.3	25.6	171.2	-97	-4.3	0	0	0	111.6	D228 E232 N233 F234	D228-D230 VanDerWaalsContact C-N 3.25Å; D228-D230 PolarHBondContact O-N 2.79Å; D230-E232 PolarHBondContact O-N 3.22Å; D230-N233 HydrophobicContact CB-CB 3.85Å; D230-N233 VanDerWaalsContact CG-ND2 3.26Å; D230-N233 CarbonylContact O-C 3.53Å; D230-N233 WeakPolarHBondContact O-CA 3.3Å; D230-N233 WeakPolarHBondContact O-CB 3.28Å; D230-N233 PolarHBondContact O-N 3.18Å; D230-N233 PolarHBondContact OD1-ND2 2.94Å; D230-N233 VanDerWaalsContact OD1-ND2 3.07Å; D230-N233 PolarHBondContact OD2-ND2 2.97Å; D230-N233 VanDerWaalsContact OD2-ND2 3.14Å; D230-F234 PolarHBondContact O-N 3.32Å
231	E	57.5	Low	66.4	Low	133 Å²	133	109.6 Å²	109.6	62%	0.621	55%	0.548	S	S	*	.	H	α-helix	trans	-54.8	-37.8	166.5	-79.5	-89.3	161.8	0	0	110.1	D229 N233 F234	D229-E231 PolarHBondContact O-N 3.35Å; E231-N233 VanDerWaalsContact C-N 3.32Å; E231-N233 PolarHBondContact O-N 3.3Å; E231-F234 PolarHBondContact O-N 3.31Å
232	E	60.7	Low	67.2	Low	148 Å²	148	110.4 Å²	110.4	69%	0.692	55%	0.549	S	S	*	.	H	α-helix	trans	-63.4	-35.9	171.5	-71.9	-78.6	163.2	0	0	111.9	D230 N236	D230-E232 PolarHBondContact O-N 3.22Å; E232-N236 VanDerWaalsContact O-CG 3.31Å; E232-N236 PolarHBondContact O-N 3.01Å; E232-N236 PolarHBondContact O-ND2 3.29Å
233	N	67.8	Low	67.8	Low	89 Å²	89	109.9 Å²	109.9	48%	0.476	55%	0.545	S	S	.	.	H	α-helix	trans	-73.3	-30.3	177.6	-87.7	-0.7	0	0	0	112.7	D230 E231 N236 D237	D230-N233 HydrophobicContact CB-CB 3.85Å; D230-N233 VanDerWaalsContact CG-ND2 3.26Å; D230-N233 CarbonylContact O-C 3.53Å; D230-N233 WeakPolarHBondContact O-CA 3.3Å; D230-N233 WeakPolarHBondContact O-CB 3.28Å; D230-N233 PolarHBondContact O-N 3.18Å; D230-N233 PolarHBondContact OD1-ND2 2.94Å; D230-N233 VanDerWaalsContact OD1-ND2 3.07Å; D230-N233 PolarHBondContact OD2-ND2 2.97Å; D230-N233 VanDerWaalsContact OD2-ND2 3.14Å; E231-N233 VanDerWaalsContact C-N 3.32Å; E231-N233 PolarHBondContact O-N 3.3Å; N233-N236 CarbonylContact O-C 3.41Å; N233-N236 PolarHBondContact O-N 3.03Å; N233-D237 PolarHBondContact O-N 2.98Å; N233-D237 VanDerWaalsContact O-N 3.08Å
234	F	72.1	Confident	68.5	Low	119 Å²	119	106.9 Å²	106.9	52%	0.522	54%	0.54	S	S	.	.	H	α-helix	trans	-62.6	-45	177.7	-177.9	-99	0	0	0	112	D230 E231 N236 D237 V240	D230-F234 PolarHBondContact O-N 3.32Å; E231-F234 PolarHBondContact O-N 3.31Å; F234-N236 VanDerWaalsContact C-N 3.28Å; F234-N236 PolarHBondContact O-N 3Å; F234-D237 WeakPolarHBondContact O-CB 3.44Å; F234-D237 PolarHBondContact O-N 2.96Å; F234-V240 HydrophobicContact CD2-CG2 4.4Å; F234-V240 HydrophobicContact CE1-CG1 4.14Å; F234-V240 HydrophobicContact CE1-CG2 4.17Å; F234-V240 HydrophobicContact CE2-CG2 3.98Å; F234-V240 HydrophobicContact CZ-CG2 3.85Å; F234-V240 WeakPolarHBondContact O-CG2 3.48Å
235	W	72.1	Confident	69.5	Low	156 Å²	156	109.3 Å²	109.3	59%	0.591	54%	0.54	S	S	*	.	H	α-helix	trans	-73.4	-19.5	176.3	-65.8	107.7	0	0	0	113.6	V240 R241	W235-V240 HydrophobicContact CE3-CG1 4.2Å; W235-V240 HydrophobicContact CZ3-CG1 4.42Å; W235-R241 PolarHBondContact O-NE 2.72Å
236	N	77.3	Confident	70.4	Confident	80 Å²	80	112.4 Å²	112.4	43%	0.428	55%	0.545	S	S	.	.	H	α-helix	trans	-85.6	-9.7	174.2	-72.8	-33.6	0	0	0	113.7	E232 N233 F234 E238 R241	E232-N236 VanDerWaalsContact O-CG 3.31Å; E232-N236 PolarHBondContact O-N 3.01Å; E232-N236 PolarHBondContact O-ND2 3.29Å; N233-N236 CarbonylContact O-C 3.41Å; N233-N236 PolarHBondContact O-N 3.03Å; F234-N236 VanDerWaalsContact C-N 3.28Å; F234-N236 PolarHBondContact O-N 3Å; N236-E238 PolarHBondContact O-N 3.08Å; N236-R241 PolarHBondContact OD1-NH2 3.1Å
237	D	81.6	Confident	70.8	Confident	45 Å²	45	118.8 Å²	118.8	24%	0.241	56%	0.561	C	S	.	*			trans	-64.8	119.7	174.3	-169.5	-40.1	0	0	0	110.2	N233 F234 R239 V240 R241	N233-D237 PolarHBondContact O-N 2.98Å; N233-D237 VanDerWaalsContact O-N 3.08Å; F234-D237 WeakPolarHBondContact O-CB 3.44Å; F234-D237 PolarHBondContact O-N 2.96Å; D237-R239 PolarHBondContact O-N 2.65Å; D237-R239 VanDerWaalsContact O-N 3.09Å; D237-R239 VanDerWaalsContact OD1-CB 3.22Å; D237-R239 WeakPolarHBondContact OD1-CB 3.4Å; D237-R239 WeakPolarHBondContact OD1-CG 3.48Å; D237-R239 IonicContact OD1-CZ 3.99Å; D237-R239 PolarHBondContact OD1-N 2.82Å; D237-R239 IonicContact OD1-NE 3.07Å; D237-R239 PolarHBondContact OD1-NE 3.12Å; D237-R239 IonicContact OD2-CZ 3.36Å; D237-R239 IonicContact OD2-NE 3.19Å; D237-R239 PolarHBondContact OD2-NE 3.11Å; D237-R239 IonicContact OD2-NH2 2.69Å; D237-R239 PolarHBondContact OD2-NH2 2.77Å; D237-V240 HydrophobicContact CB-CB 4.38Å; D237-V240 HydrophobicContact CB-CG2 4.01Å; D237-V240 WeakPolarHBondContact O-CB 3.37Å; D237-V240 PolarHBondContact O-N 3.02Å; D237-R241 PolarHBondContact O-N 2.95Å
238	E	83.7	Confident	71.6	Confident	89 Å²	89	121.7 Å²	121.7	42%	0.416	56%	0.564	S	S	.	*	H	α-helix	trans	-54.4	-30.9	-179.9	-177	59.1	-155.6	0	0	112.2	N236 R241 Q242	N236-E238 PolarHBondContact O-N 3.08Å; E238-R241 PolarHBondContact O-N 3.45Å; E238-Q242 WeakPolarHBondContact O-CG 3.36Å; E238-Q242 PolarHBondContact O-N 2.84Å
239	R	83.8	Confident	72.8	Confident	174 Å²	174	120.3 Å²	120.3	66%	0.657	55%	0.552	S	S	*	*	H	α-helix	trans	-68.2	-41.6	177.5	-57.5	174.9	-65.8	174.8	1.5	111.6	D237 R241 Q242 I243	D237-R239 PolarHBondContact O-N 2.65Å; D237-R239 VanDerWaalsContact O-N 3.09Å; D237-R239 VanDerWaalsContact OD1-CB 3.22Å; D237-R239 WeakPolarHBondContact OD1-CB 3.4Å; D237-R239 WeakPolarHBondContact OD1-CG 3.48Å; D237-R239 IonicContact OD1-CZ 3.99Å; D237-R239 PolarHBondContact OD1-N 2.82Å; D237-R239 IonicContact OD1-NE 3.07Å; D237-R239 PolarHBondContact OD1-NE 3.12Å; D237-R239 IonicContact OD2-CZ 3.36Å; D237-R239 IonicContact OD2-NE 3.19Å; D237-R239 PolarHBondContact OD2-NE 3.11Å; D237-R239 IonicContact OD2-NH2 2.69Å; D237-R239 PolarHBondContact OD2-NH2 2.77Å; R239-R241 VanDerWaalsContact C-N 3.31Å; R239-Q242 PolarHBondContact O-N 2.97Å; R239-I243 WeakPolarHBondContact O-CG1 3.31Å; R239-I243 PolarHBondContact O-N 3.23Å
240	V	81	Confident	73.9	Confident	23 Å²	23	118.9 Å²	118.9	14%	0.139	54%	0.539	C	S	.	.	H	α-helix	trans	-64.3	-42.4	175.9	177.9	0	0	0	0	109.2	F234 W235 D237 Q242 I243 V244	F234-V240 HydrophobicContact CD2-CG2 4.4Å; F234-V240 HydrophobicContact CE1-CG1 4.14Å; F234-V240 HydrophobicContact CE1-CG2 4.17Å; F234-V240 HydrophobicContact CE2-CG2 3.98Å; F234-V240 HydrophobicContact CZ-CG2 3.85Å; F234-V240 WeakPolarHBondContact O-CG2 3.48Å; W235-V240 HydrophobicContact CE3-CG1 4.2Å; W235-V240 HydrophobicContact CZ3-CG1 4.42Å; D237-V240 HydrophobicContact CB-CB 4.38Å; D237-V240 HydrophobicContact CB-CG2 4.01Å; D237-V240 WeakPolarHBondContact O-CB 3.37Å; D237-V240 PolarHBondContact O-N 3.02Å; V240-Q242 VanDerWaalsContact C-N 3.35Å; V240-Q242 PolarHBondContact O-N 3.13Å; V240-I243 PolarHBondContact O-N 2.7Å; V240-V244 WeakPolarHBondContact O-CG2 3.36Å; V240-V244 PolarHBondContact O-N 2.9Å
241	R	79.4	Confident	75.1	Confident	108 Å²	108	119.9 Å²	119.9	41%	0.408	54%	0.539	S	S	.	.	H	α-helix	trans	-62.6	-37.3	175.8	-67.7	178.7	173.9	-173.1	-2.4	113.2	W235 N236 D237 E238 R239 R245	W235-R241 PolarHBondContact O-NE 2.72Å; N236-R241 PolarHBondContact OD1-NH2 3.1Å; D237-R241 PolarHBondContact O-N 2.95Å; E238-R241 PolarHBondContact O-N 3.45Å; R239-R241 VanDerWaalsContact C-N 3.31Å; R241-R245 PolarHBondContact O-N 2.58Å; R241-R245 VanDerWaalsContact O-N 3.12Å
242	Q	82.4	Confident	76.2	Confident	105 Å²	105	119.1 Å²	119.1	49%	0.491	53%	0.534	S	S	.	.	H	α-helix	trans	-68	-41.1	175.4	-76.1	-176.4	8.7	0	0	112.4	E238 R239 V240 R245 L246	E238-Q242 WeakPolarHBondContact O-CG 3.36Å; E238-Q242 PolarHBondContact O-N 2.84Å; R239-Q242 PolarHBondContact O-N 2.97Å; V240-Q242 VanDerWaalsContact C-N 3.35Å; V240-Q242 PolarHBondContact O-N 3.13Å; Q242-R245 PolarHBondContact O-N 3.27Å; Q242-L246 WeakPolarHBondContact O-CG 3.41Å; Q242-L246 PolarHBondContact O-N 3.05Å
243	I	81.7	Confident	77.3	Confident	97 Å²	97	117.1 Å²	117.1	50%	0.497	52%	0.523	S	S	.	.	H	α-helix	trans	-63.4	-45.5	176	-66.6	165.6	0	0	0	110.3	R239 V240 R245 L246 Y247	R239-I243 WeakPolarHBondContact O-CG1 3.31Å; R239-I243 PolarHBondContact O-N 3.23Å; V240-I243 PolarHBondContact O-N 2.7Å; I243-R245 VanDerWaalsContact C-N 3.27Å; I243-R245 PolarHBondContact O-N 3.04Å; I243-L246 WeakPolarHBondContact O-CB 3.45Å; I243-L246 PolarHBondContact O-N 2.97Å; I243-Y247 HydrophobicContact CG2-CD2 4.2Å; I243-Y247 HydrophobicContact CG2-CE2 4.15Å; I243-Y247 WeakPolarHBondContact O-CD2 3.38Å
244	V	80.4	Confident	77.9	Confident	88 Å²	88	119.1 Å²	119.1	53%	0.533	53%	0.527	S	S	.	.	H	α-helix	trans	-63.6	-31	178.4	174.3	0	0	0	0	112.2	V240 L246 Y247	V240-V244 WeakPolarHBondContact O-CG2 3.36Å; V240-V244 PolarHBondContact O-N 2.9Å; V244-L246 VanDerWaalsContact C-N 3.28Å; V244-L246 PolarHBondContact O-N 2.75Å; V244-Y247 VanDerWaalsContact O-OXT 3.1Å
245	R	77.6	Confident	78.4	Confident	183 Å²	183	119.2 Å²	119.2	69%	0.691	53%	0.527	S	S	*	.	H	α-helix	trans	-70.5	-21	173.5	-77.9	-173.1	-153.9	145.9	12	114.1	R241 Q242 I243	R241-R245 PolarHBondContact O-N 2.58Å; R241-R245 VanDerWaalsContact O-N 3.12Å; Q242-R245 PolarHBondContact O-N 3.27Å; I243-R245 VanDerWaalsContact C-N 3.27Å; I243-R245 PolarHBondContact O-N 3.04Å
246	L	76.7	Confident	78.9	Confident	145 Å²	145	116.1 Å²	116.1	76%	0.759	52%	0.522	S	S	*	.	H	α-helix	trans	-85.1	-15.8	-177.8	-74.7	166.5	0	0	0	113.3	Q242 I243 V244	Q242-L246 WeakPolarHBondContact O-CG 3.41Å; Q242-L246 PolarHBondContact O-N 3.05Å; I243-L246 WeakPolarHBondContact O-CB 3.45Å; I243-L246 PolarHBondContact O-N 2.97Å; V244-L246 VanDerWaalsContact C-N 3.28Å; V244-L246 PolarHBondContact O-N 2.75Å
247	Y	61.3	Low	79.1	Confident	256 Å²	256	119.4 Å²	119.4	100%	1.004	53%	0.53	S	S	*	.			trans	-112.1	0	179.7	-73.2	-83.1	0	0	0	111.5	I243 V244	I243-Y247 HydrophobicContact CG2-CD2 4.2Å; I243-Y247 HydrophobicContact CG2-CE2 4.15Å; I243-Y247 WeakPolarHBondContact O-CD2 3.38Å; V244-Y247 VanDerWaalsContact O-OXT 3.1Å

Retrieved 247 of 247 residues in 54.1 ms (Link to these results)

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