A0A3Q0KIS8_SCHMA Loading...

Putative zinc finger protein

AlphaFold DB , UniProt , Accession A0A3Q0KIS8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 273 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	36	Very low	31	Very low	228 Å²	228	165.5 Å²	165.5	100%	1.123	82%	0.823	S	S	*	*				0	78.6	0	-83.6	-179.3	145.5	0	0	107.4
2	E	33	Very low	30.7	Very low	187 Å²	187	158.6 Å²	158.6	87%	0.874	81%	0.811	S	S	*	*			trans	-103.4	103.6	176.7	-71.5	176.2	168.1	0	0	106.4	N4	E2-N4 PolarHBondContact O-N 2.81Å
3	R	34.8	Very low	30.5	Very low	216 Å²	216	159.5 Å²	159.5	82%	0.815	82%	0.816	S	S	*	*			trans	-79.9	101.5	177.6	-66.6	-175.9	-162.8	-169.6	4.3	107.5	N5	R3-N5 VanDerWaalsContact C-N 3.31Å; R3-N5 PolarHBondContact O-N 3.35Å
4	N	36.1	Very low	30.4	Very low	144 Å²	144	158.1 Å²	158.1	77%	0.77	81%	0.812	S	S	*	*			trans	-67.3	92.9	162.8	-73.4	-28.2	0	0	0	108	E2 T6	E2-N4 PolarHBondContact O-N 2.81Å; N4-T6 PolarHBondContact O-N 3.5Å
5	N	33.2	Very low	30.9	Very low	129 Å²	129	157.9 Å²	157.9	69%	0.69	81%	0.813	S	S	*	*			trans	-73.7	77.9	167	-84.7	6.5	0	0	0	108.9	R3 E7	R3-N5 VanDerWaalsContact C-N 3.31Å; R3-N5 PolarHBondContact O-N 3.35Å; N5-E7 VanDerWaalsContact C-N 3.26Å; N5-E7 PolarHBondContact O-N 2.94Å
6	T	30.2	Very low	30.9	Very low	134 Å²	134	153.8 Å²	153.8	82%	0.822	80%	0.797	S	S	*	*			trans	-86.2	76.1	154.4	52.1	0	0	0	0	107.3	N4	N4-T6 PolarHBondContact O-N 3.5Å
7	E	27.6	Very low	30.8	Very low	152 Å²	152	154.7 Å²	154.7	71%	0.71	80%	0.804	S	S	*	*			trans	-112.5	125.6	170.8	-77.6	-174	169.9	0	0	109.8	N5	N5-E7 VanDerWaalsContact C-N 3.26Å; N5-E7 PolarHBondContact O-N 2.94Å
8	N	29.3	Very low	30.8	Very low	143 Å²	143	155.1 Å²	155.1	77%	0.765	80%	0.801	S	S	*	*			trans	74	76.3	163.5	-61.7	-32.4	0	0	0	117.5	P10	N8-P10 WeakPolarHBondContact O-CD 3.49Å
9	I	26.8	Very low	30.6	Very low	163 Å²	163	151 Å²	151	84%	0.836	79%	0.792	S	S	*	*			trans	-84.2	109	138.7	-60	172.7	0	0	0	105.7	K11	I9-K11 PolarHBondContact O-N 3.08Å
10	P	25.6	Very low	30.6	Very low	111 Å²	111	150.1 Å²	150.1	72%	0.721	79%	0.787	S	S	*	*			trans	-65.4	108.2	179.1	-18.6	32.6	0	0	0	110.1	N8 A12	N8-P10 WeakPolarHBondContact O-CD 3.49Å; P10-A12 PolarHBondContact O-N 2.86Å
11	K	28.8	Very low	30.6	Very low	213 Å²	213	150.5 Å²	150.5	93%	0.926	79%	0.79	S	S	*	*			trans	-75.5	92.8	157.9	-75.9	-178	176.9	-179.1	0	107.6	I9	I9-K11 PolarHBondContact O-N 3.08Å
12	A	26.9	Very low	30.6	Very low	83 Å²	83	142.4 Å²	142.4	69%	0.686	76%	0.755	S	S	*	*			trans	-155	76.4	164.3	0	0	0	0	0	108.6	P10	P10-A12 PolarHBondContact O-N 2.86Å
13	I	28.4	Very low	30.8	Very low	170 Å²	170	138.5 Å²	138.5	87%	0.872	73%	0.733	S	S	*	*			trans	-120.5	64.7	155	-50.4	176	0	0	0	104.9
14	D	29.1	Very low	31.1	Very low	141 Å²	141	135 Å²	135	75%	0.754	73%	0.729	S	S	*	*	S	Bend	trans	-106.7	130.5	158.4	-101	-21.1	0	0	0	106.5	T16	D14-T16 PolarHBondContact O-N 2.77Å
15	D	37.9	Very low	31.3	Very low	155 Å²	155	130.2 Å²	130.2	83%	0.829	71%	0.706	S	S	*	*	S	Bend	trans	73.7	14.3	156.5	-60.8	-21.4	0	0	0	122.1
16	T	29.9	Very low	32.3	Very low	91 Å²	91	128.2 Å²	128.2	56%	0.558	70%	0.695	S	S	*	*			trans	-110.8	67.7	160.4	53.8	0	0	0	0	112.1	D14 Q18	D14-T16 PolarHBondContact O-N 2.77Å; T16-Q18 HydrophobicContact CG2-CG 3.97Å; T16-Q18 PolarHBondContact O-N 3.21Å
17	N	29.9	Very low	34.1	Very low	170 Å²	170	131.3 Å²	131.3	91%	0.909	69%	0.692	S	S	*	*			trans	-59.2	37.5	137	-85.6	-32.6	0	0	0	111.1	A19	N17-A19 PolarHBondContact O-N 3.19Å
18	Q	30.2	Very low	36	Very low	162 Å²	162	130.8 Å²	130.8	76%	0.757	69%	0.687	S	S	*	*			trans	-66.5	87.7	163.8	-85.4	-178.5	-7.1	0	0	105.3	T16 I20	T16-Q18 HydrophobicContact CG2-CG 3.97Å; T16-Q18 PolarHBondContact O-N 3.21Å; Q18-I20 PolarHBondContact O-N 3.17Å
19	A	28.2	Very low	37.2	Very low	77 Å²	77	127.4 Å²	127.4	64%	0.636	67%	0.666	S	S	*	*			trans	17.9	96.5	156.9	0	0	0	0	0	111.5	N17 N21	N17-A19 PolarHBondContact O-N 3.19Å; A19-N21 PolarHBondContact O-N 2.94Å
20	I	30.6	Very low	38.4	Very low	133 Å²	133	124 Å²	124	68%	0.682	65%	0.649	S	S	*	*			trans	-41.4	101.3	155.8	-57.6	169.6	0	0	0	105.2	Q18 C22	Q18-I20 PolarHBondContact O-N 3.17Å; I20-C22 HydrophobicContact CG2-CB 4.46Å; I20-C22 WeakPolarHBondContact CG2-SG 3.25Å; I20-C22 PolarHBondContact O-N 3.41Å
21	N	30.1	Very low	40.4	Very low	159 Å²	159	121.7 Å²	121.7	85%	0.85	63%	0.631	S	S	*	*			trans	-80.9	57.7	-179.4	-131.3	-6.6	0	0	0	105.8	A19 Y23	A19-N21 PolarHBondContact O-N 2.94Å; N21-Y23 PolarHBondContact O-N 3.03Å; N21-Y23 VanDerWaalsContact O-N 3.08Å
22	C	35	Very low	42.1	Very low	57 Å²	57	115.3 Å²	115.3	39%	0.385	61%	0.607	S	S	.	*			trans	-51.7	118.3	157.5	-73.1	0	0	0	0	104.3	I20 I24	I20-C22 HydrophobicContact CG2-CB 4.46Å; I20-C22 WeakPolarHBondContact CG2-SG 3.25Å; I20-C22 PolarHBondContact O-N 3.41Å; C22-I24 VanDerWaalsContact C-N 3.3Å; C22-I24 HydrophobicContact CB-CG1 4.46Å; C22-I24 PolarHBondContact O-N 2.72Å
23	Y	38.2	Very low	43.1	Very low	105 Å²	105	112.1 Å²	112.1	41%	0.412	58%	0.579	S	S	.	*			trans	-58.4	104	167.3	177.7	-88.7	0	0	0	107	N21 P25 Q29 L215 A218	N21-Y23 PolarHBondContact O-N 3.03Å; N21-Y23 VanDerWaalsContact O-N 3.08Å; Y23-P25 HydrophobicContact CD1-CG 3.98Å; Y23-P25 HydrophobicContact CE1-CB 3.99Å; Y23-P25 HydrophobicContact CE1-CG 3.78Å; Y23-P25 WeakPolarHBondContact O-CD 3.37Å; Y23-Q29 PolarHBondContact OH-NE2 3.25Å; Y23-L215 HydrophobicContact CD1-CD2 3.08Å; Y23-L215 HydrophobicContact CE1-CD2 3.48Å; Y23-L215 VanDerWaalsContact CE1-CD2 3.48Å; Y23-L215 HydrophobicContact CG-CD2 3.75Å; Y23-A218 HydrophobicContact CE2-CB 4.34Å
24	I	40.3	Very low	44.5	Very low	143 Å²	143	109.4 Å²	109.4	73%	0.733	56%	0.562	S	S	*	*			trans	-91.8	107.2	170.8	-62.7	170.6	0	0	0	104.7	C22 N26	C22-I24 VanDerWaalsContact C-N 3.3Å; C22-I24 HydrophobicContact CB-CG1 4.46Å; C22-I24 PolarHBondContact O-N 2.72Å; I24-N26 PolarHBondContact O-N 2.92Å
25	P	41.8	Very low	46.3	Very low	44 Å²	44	109.2 Å²	109.2	29%	0.286	55%	0.554	S	S	.	*			trans	-57.6	131.9	172.7	-11.6	23.6	0	0	0	108.1	Y23 Q29	Y23-P25 HydrophobicContact CD1-CG 3.98Å; Y23-P25 HydrophobicContact CE1-CB 3.99Å; Y23-P25 HydrophobicContact CE1-CG 3.78Å; Y23-P25 WeakPolarHBondContact O-CD 3.37Å; P25-Q29 VanDerWaalsContact CA-OE1 3.26Å; P25-Q29 HydrophobicContact CB-CB 4.21Å
26	N	53.9	Low	47.1	Very low	87 Å²	87	105.6 Å²	105.6	47%	0.465	53%	0.533	S	S	.	.			trans	-68.1	157.2	177	67	51.9	0	0	0	110.1	I24 K28 Q29 L30	I24-N26 PolarHBondContact O-N 2.92Å; N26-K28 PolarHBondContact O-N 3.46Å; N26-K28 VanDerWaalsContact O-N 3.08Å; N26-K28 WeakPolarHBondContact OD1-CB 3.36Å; N26-K28 PolarHBondContact OD1-N 3.42Å; N26-Q29 PolarHBondContact ND2-OE1 3.18Å; N26-Q29 WeakPolarHBondContact O-CB 3.17Å; N26-Q29 PolarHBondContact O-N 3.24Å; N26-Q29 WeakPolarHBondContact OD1-CG 3.18Å; N26-Q29 PolarHBondContact OD1-N 3.35Å; N26-L30 PolarHBondContact O-N 3.28Å
27	R	67.9	Low	48	Very low	199 Å²	199	102.4 Å²	102.4	75%	0.751	51%	0.512	S	S	*	.	H	α-helix	trans	-51.3	-36.8	-178.3	-177.5	176	176.8	169.9	2	113.5	Q29 L30 D31	R27-Q29 VanDerWaalsContact C-N 3.34Å; R27-Q29 PolarHBondContact O-N 3.37Å; R27-L30 WeakPolarHBondContact O-CB 3.48Å; R27-L30 PolarHBondContact O-N 3.26Å; R27-D31 VanDerWaalsContact O-CG 3.23Å; R27-D31 PolarHBondContact O-N 2.84Å
28	K	66.9	Low	49.5	Very low	141 Å²	141	99 Å²	99	61%	0.613	49%	0.49	S	S	*	.	H	α-helix	trans	-62.8	-40.2	177.2	-178.2	-174.9	175.8	-175.7	0	111.8	N26 L30 D31 D32	N26-K28 PolarHBondContact O-N 3.46Å; N26-K28 VanDerWaalsContact O-N 3.08Å; N26-K28 WeakPolarHBondContact OD1-CB 3.36Å; N26-K28 PolarHBondContact OD1-N 3.42Å; K28-L30 VanDerWaalsContact C-N 3.33Å; K28-L30 PolarHBondContact O-N 2.88Å; K28-D31 PolarHBondContact O-N 2.84Å; K28-D32 WeakPolarHBondContact O-CB 3.47Å; K28-D32 VanDerWaalsContact O-CG 3.22Å; K28-D32 PolarHBondContact O-N 3.37Å
29	Q	54	Low	50.8	Low	71 Å²	71	97.6 Å²	97.6	33%	0.332	48%	0.482	S	S	.	.	H	α-helix	trans	-63.8	-39	175.8	-67.5	173.3	-64.3	0	0	111.9	Y23 P25 N26 R27 L33	Y23-Q29 PolarHBondContact OH-NE2 3.25Å; P25-Q29 VanDerWaalsContact CA-OE1 3.26Å; P25-Q29 HydrophobicContact CB-CB 4.21Å; N26-Q29 PolarHBondContact ND2-OE1 3.18Å; N26-Q29 WeakPolarHBondContact O-CB 3.17Å; N26-Q29 PolarHBondContact O-N 3.24Å; N26-Q29 WeakPolarHBondContact OD1-CG 3.18Å; N26-Q29 PolarHBondContact OD1-N 3.35Å; R27-Q29 VanDerWaalsContact C-N 3.34Å; R27-Q29 PolarHBondContact O-N 3.37Å; Q29-L33 WeakPolarHBondContact O-CB 3.21Å; Q29-L33 PolarHBondContact O-N 2.77Å; Q29-L33 VanDerWaalsContact O-N 3.08Å
30	L	52.9	Low	51.8	Low	91 Å²	91	96.8 Å²	96.8	48%	0.476	46%	0.463	S	S	.	.	H	α-helix	trans	-65.3	-44.2	173.8	-72.5	166.5	0	0	0	111.7	N26 R27 K28 L33 Q34	N26-L30 PolarHBondContact O-N 3.28Å; R27-L30 WeakPolarHBondContact O-CB 3.48Å; R27-L30 PolarHBondContact O-N 3.26Å; K28-L30 VanDerWaalsContact C-N 3.33Å; K28-L30 PolarHBondContact O-N 2.88Å; L30-L33 WeakPolarHBondContact O-CB 3.43Å; L30-L33 PolarHBondContact O-N 3.11Å; L30-Q34 WeakPolarHBondContact O-CB 3.02Å; L30-Q34 PolarHBondContact O-N 2.92Å
31	D	67.6	Low	52.7	Low	64 Å²	64	92.4 Å²	92.4	34%	0.342	44%	0.442	S	S	.	.	H	α-helix	trans	-66.3	-41	179.4	-66.1	-20.5	0	0	0	112.2	R27 K28 L33 Q34 K35	R27-D31 VanDerWaalsContact O-CG 3.23Å; R27-D31 PolarHBondContact O-N 2.84Å; K28-D31 PolarHBondContact O-N 2.84Å; D31-L33 VanDerWaalsContact C-N 3.34Å; D31-Q34 PolarHBondContact O-N 2.81Å; D31-K35 WeakPolarHBondContact O-CG 3.29Å; D31-K35 PolarHBondContact O-N 3.24Å
32	D	63.5	Low	53.8	Low	78 Å²	78	92 Å²	92	42%	0.417	43%	0.429	S	S	.	.	H	α-helix	trans	-64.5	-41.3	176.8	-73.4	-20.6	0	0	0	110.5	K28 E36	K28-D32 WeakPolarHBondContact O-CB 3.47Å; K28-D32 VanDerWaalsContact O-CG 3.22Å; K28-D32 PolarHBondContact O-N 3.37Å; D32-E36 WeakPolarHBondContact O-CB 3.47Å; D32-E36 PolarHBondContact O-N 3.3Å; D32-E36 VanDerWaalsContact O-N 3.08Å
33	L	49.3	Very low	54.4	Low	17 Å²	17	92 Å²	92	9%	0.089	43%	0.427	C	S	.	.	H	α-helix	trans	-60.8	-48.2	172.4	-162.8	97.2	0	0	0	110.5	Q29 L30 D31 K35 E36 L37 I207 L211	Q29-L33 WeakPolarHBondContact O-CB 3.21Å; Q29-L33 PolarHBondContact O-N 2.77Å; Q29-L33 VanDerWaalsContact O-N 3.08Å; L30-L33 WeakPolarHBondContact O-CB 3.43Å; L30-L33 PolarHBondContact O-N 3.11Å; D31-L33 VanDerWaalsContact C-N 3.34Å; L33-K35 PolarHBondContact O-N 2.87Å; L33-E36 PolarHBondContact O-N 3.42Å; L33-L37 HydrophobicContact CD2-CD1 4.12Å; L33-L37 HydrophobicContact CG-CD1 4.21Å; L33-L37 WeakPolarHBondContact O-CD1 3.47Å; L33-L37 WeakPolarHBondContact O-CG 3.2Å; L33-L37 PolarHBondContact O-N 3.34Å; L33-I207 HydrophobicContact CD2-CG2 3.94Å; L33-L211 HydrophobicContact CD1-CD2 3.68Å; L33-L211 HydrophobicContact CD1-CG 4.04Å; L33-L211 HydrophobicContact CD2-CD1 3.89Å; L33-L211 HydrophobicContact CD2-CD2 3.79Å; L33-L211 HydrophobicContact CD2-CG 3.88Å; L33-L211 HydrophobicContact CG-CD2 4.36Å
34	Q	57.6	Low	54.8	Low	113 Å²	113	92 Å²	92	53%	0.528	44%	0.438	S	S	.	.	H	α-helix	trans	-59.4	-45.7	-180	-171.6	171.5	-9	0	0	112.9	L30 D31 E36 L37 E38	L30-Q34 WeakPolarHBondContact O-CB 3.02Å; L30-Q34 PolarHBondContact O-N 2.92Å; D31-Q34 PolarHBondContact O-N 2.81Å; Q34-E36 VanDerWaalsContact C-N 3.32Å; Q34-E36 PolarHBondContact O-N 2.92Å; Q34-L37 WeakPolarHBondContact O-CB 3.42Å; Q34-L37 PolarHBondContact O-N 3.12Å; Q34-L37 VanDerWaalsContact O-N 3.16Å; Q34-E38 PolarHBondContact O-N 3.36Å
35	K	66.8	Low	55.2	Low	136 Å²	136	92.1 Å²	92.1	59%	0.591	44%	0.435	S	S	*	.	H	α-helix	trans	-62.2	-39.6	175.6	-75.1	175.7	-176	169	0	112.6	D31 L33 L37 K39	D31-K35 WeakPolarHBondContact O-CG 3.29Å; D31-K35 PolarHBondContact O-N 3.24Å; L33-K35 PolarHBondContact O-N 2.87Å; K35-L37 VanDerWaalsContact C-N 3.28Å; K35-L37 PolarHBondContact O-N 2.9Å; K35-K39 PolarHBondContact O-N 3.04Å
36	E	53.8	Low	55.3	Low	79 Å²	79	93.7 Å²	93.7	37%	0.369	44%	0.441	S	S	.	.	H	α-helix	trans	-65	-37.1	176.5	-165.2	178.4	172.9	0	0	110.6	D32 L33 Q34 K39 Y40 R210	D32-E36 WeakPolarHBondContact O-CB 3.47Å; D32-E36 PolarHBondContact O-N 3.3Å; D32-E36 VanDerWaalsContact O-N 3.08Å; L33-E36 PolarHBondContact O-N 3.42Å; Q34-E36 VanDerWaalsContact C-N 3.32Å; Q34-E36 PolarHBondContact O-N 2.92Å; E36-K39 VanDerWaalsContact O-CB 3.27Å; E36-K39 WeakPolarHBondContact O-CB 3.13Å; E36-K39 PolarHBondContact O-N 3.06Å; E36-Y40 HydrophobicContact CG-CD2 4.2Å; E36-Y40 HydrophobicContact CG-CE2 3.8Å; E36-Y40 WeakPolarHBondContact O-CD2 3.36Å; E36-Y40 PolarHBondContact O-N 3.26Å; E36-R210 IonicContact OE1-CZ 3.73Å; E36-R210 IonicContact OE1-NH1 2.69Å; E36-R210 PolarHBondContact OE1-NH1 3.24Å; E36-R210 IonicContact OE2-NH1 3.42Å
37	L	49.5	Very low	54.8	Low	24 Å²	24	97 Å²	97	13%	0.126	45%	0.454	C	S	.	.	H	α-helix	trans	-67.3	-42	177.4	-64.8	163.1	0	0	0	113.4	L33 Q34 K35 K39 Y40 T41 L203 I207	L33-L37 HydrophobicContact CD2-CD1 4.12Å; L33-L37 HydrophobicContact CG-CD1 4.21Å; L33-L37 WeakPolarHBondContact O-CD1 3.47Å; L33-L37 WeakPolarHBondContact O-CG 3.2Å; L33-L37 PolarHBondContact O-N 3.34Å; Q34-L37 WeakPolarHBondContact O-CB 3.42Å; Q34-L37 PolarHBondContact O-N 3.12Å; Q34-L37 VanDerWaalsContact O-N 3.16Å; K35-L37 VanDerWaalsContact C-N 3.28Å; K35-L37 PolarHBondContact O-N 2.9Å; L37-K39 PolarHBondContact O-N 2.92Å; L37-Y40 CarbonylContact O-C 3.35Å; L37-Y40 PolarHBondContact O-N 3.35Å; L37-T41 PolarHBondContact O-N 3.3Å; L37-T41 PolarHBondContact O-OG1 2.91Å; L37-L203 HydrophobicContact CD2-CD1 3.71Å; L37-L203 HydrophobicContact CD2-CG 4.2Å; L37-I207 HydrophobicContact CD1-CD1 3.29Å; L37-I207 HydrophobicContact CD1-CG1 3.42Å; L37-I207 VanDerWaalsContact CD1-CG1 3.42Å; L37-I207 HydrophobicContact CD1-CG2 4.4Å; L37-I207 HydrophobicContact CD2-CB 4.41Å; L37-I207 HydrophobicContact CD2-CD1 3.63Å; L37-I207 HydrophobicContact CD2-CG1 3.1Å; L37-I207 HydrophobicContact CG-CD1 3.94Å; L37-I207 HydrophobicContact CG-CG1 3.78Å
38	E	62.4	Low	53.6	Low	98 Å²	98	91.3 Å²	91.3	46%	0.458	44%	0.442	S	S	.	.	H	α-helix	trans	-59.1	-31.3	172.7	-70.1	173.4	-178.8	0	0	112.2	Q34 R42	Q34-E38 PolarHBondContact O-N 3.36Å; E38-R42 WeakPolarHBondContact O-CG 3.26Å; E38-R42 PolarHBondContact O-N 2.88Å; E38-R42 PolarHBondContact O-NE 3.1Å
39	K	57.5	Low	52.4	Low	133 Å²	133	87.4 Å²	87.4	58%	0.578	42%	0.423	S	S	*	.	H	α-helix	trans	-65.8	-41.2	171.8	-173.6	-175.6	174.8	-175.4	0	111.1	K35 E36 L37 V43	K35-K39 PolarHBondContact O-N 3.04Å; E36-K39 VanDerWaalsContact O-CB 3.27Å; E36-K39 WeakPolarHBondContact O-CB 3.13Å; E36-K39 PolarHBondContact O-N 3.06Å; L37-K39 PolarHBondContact O-N 2.92Å; K39-V43 VanDerWaalsContact O-CG2 3.28Å; K39-V43 WeakPolarHBondContact O-CG2 3.27Å; K39-V43 PolarHBondContact O-N 3.41Å
40	Y	48.6	Very low	51.8	Low	61 Å²	61	91.7 Å²	91.7	24%	0.239	44%	0.441	C	S	.	.	H	α-helix	trans	-76.4	-39	179.5	-76.5	-77.8	0	0	0	114	E36 L37 R42 V43 T44 R210	E36-Y40 HydrophobicContact CG-CD2 4.2Å; E36-Y40 HydrophobicContact CG-CE2 3.8Å; E36-Y40 WeakPolarHBondContact O-CD2 3.36Å; E36-Y40 PolarHBondContact O-N 3.26Å; L37-Y40 CarbonylContact O-C 3.35Å; L37-Y40 PolarHBondContact O-N 3.35Å; Y40-R42 PolarHBondContact O-N 3.43Å; Y40-V43 WeakPolarHBondContact O-CA 3.45Å; Y40-V43 WeakPolarHBondContact O-CB 3.25Å; Y40-V43 PolarHBondContact O-N 3.18Å; Y40-T44 PolarHBondContact O-N 3.15Å; Y40-T44 PolarHBondContact O-OG1 3.28Å; Y40-R210 VanDerWaalsContact CE2-NH1 3.34Å; Y40-R210 PolarHBondContact OH-NH2 3.27Å
41	T	48.7	Very low	51.3	Low	40 Å²	40	90.7 Å²	90.7	25%	0.245	44%	0.436	C	S	.	.	H	α-helix	trans	-56.4	-41.2	173.5	-47.6	0	0	0	0	110.9	L37 V43 T44 Q45 L203	L37-T41 PolarHBondContact O-N 3.3Å; L37-T41 PolarHBondContact O-OG1 2.91Å; T41-V43 VanDerWaalsContact C-N 3.29Å; T41-V43 PolarHBondContact O-N 3.5Å; T41-T44 PolarHBondContact O-OG1 3.35Å; T41-Q45 HydrophobicContact CG2-CG 4.39Å; T41-Q45 VanDerWaalsContact O-CB 3.27Å; T41-Q45 WeakPolarHBondContact O-CB 3.04Å; T41-Q45 VanDerWaalsContact O-CG 3.25Å; T41-Q45 WeakPolarHBondContact O-CG 3.32Å; T41-Q45 PolarHBondContact O-N 3.32Å; T41-L203 WeakPolarHBondContact OG1-CD2 3.25Å
42	R	54.1	Low	50.2	Low	152 Å²	152	94.4 Å²	94.4	57%	0.574	45%	0.449	S	S	*	.	H	α-helix	trans	-65.6	-29.4	174.5	-75.7	-179.1	-70.1	-158.8	-2.9	113.3	E38 Y40 N46	E38-R42 WeakPolarHBondContact O-CG 3.26Å; E38-R42 PolarHBondContact O-N 2.88Å; E38-R42 PolarHBondContact O-NE 3.1Å; Y40-R42 PolarHBondContact O-N 3.43Å; R42-N46 VanDerWaalsContact O-CB 3.26Å; R42-N46 WeakPolarHBondContact O-CB 3.27Å; R42-N46 PolarHBondContact O-N 2.64Å
43	V	48.2	Very low	49	Very low	56 Å²	56	94.1 Å²	94.1	34%	0.339	44%	0.443	S	S	.	.	H	α-helix	trans	-78.8	-43.1	178.6	171.5	0	0	0	0	111.3	K39 Y40 T41 N46 Y49	K39-V43 VanDerWaalsContact O-CG2 3.28Å; K39-V43 WeakPolarHBondContact O-CG2 3.27Å; K39-V43 PolarHBondContact O-N 3.41Å; Y40-V43 WeakPolarHBondContact O-CA 3.45Å; Y40-V43 WeakPolarHBondContact O-CB 3.25Å; Y40-V43 PolarHBondContact O-N 3.18Å; T41-V43 VanDerWaalsContact C-N 3.29Å; T41-V43 PolarHBondContact O-N 3.5Å; V43-N46 PolarHBondContact O-N 3.14Å; V43-Y49 HydrophobicContact CG1-CD2 3.99Å; V43-Y49 HydrophobicContact CG1-CE2 4.29Å; V43-Y49 HydrophobicContact CG1-CG 4.26Å
44	T	46	Very low	48.6	Very low	104 Å²	104	100.6 Å²	100.6	64%	0.638	47%	0.471	S	S	*	.	H	α-helix	trans	-72.7	-31.1	179.6	55.1	0	0	0	0	113.1	Y40 T41	Y40-T44 PolarHBondContact O-N 3.15Å; Y40-T44 PolarHBondContact O-OG1 3.28Å; T41-T44 PolarHBondContact O-OG1 3.35Å
45	Q	47.8	Very low	47.8	Very low	146 Å²	146	100 Å²	100	68%	0.682	47%	0.471	S	S	*	.	S	Bend	trans	-81.8	-15	175.1	-68.6	177.9	-9.5	0	0	113.5	T41 E47	T41-Q45 HydrophobicContact CG2-CG 4.39Å; T41-Q45 VanDerWaalsContact O-CB 3.27Å; T41-Q45 WeakPolarHBondContact O-CB 3.04Å; T41-Q45 VanDerWaalsContact O-CG 3.25Å; T41-Q45 WeakPolarHBondContact O-CG 3.32Å; T41-Q45 PolarHBondContact O-N 3.32Å; Q45-E47 PolarHBondContact O-N 2.79Å
46	N	43.8	Very low	46.7	Very low	78 Å²	78	96.3 Å²	96.3	42%	0.417	46%	0.458	S	S	.	.			trans	-73.5	115.1	-178.2	-128.9	-38.2	0	0	0	109.9	R42 V43 T48 Y49	R42-N46 VanDerWaalsContact O-CB 3.26Å; R42-N46 WeakPolarHBondContact O-CB 3.27Å; R42-N46 PolarHBondContact O-N 2.64Å; V43-N46 PolarHBondContact O-N 3.14Å; N46-T48 VanDerWaalsContact CB-OG1 3.25Å; N46-T48 WeakPolarHBondContact CB-OG1 3.39Å; N46-T48 PolarHBondContact ND2-OG1 3.49Å; N46-T48 PolarHBondContact O-N 2.89Å; N46-T48 VanDerWaalsContact O-N 3.17Å; N46-T48 PolarHBondContact OD1-OG1 2.91Å; N46-Y49 PolarHBondContact O-N 3.28Å
47	E	44.8	Very low	46.2	Very low	155 Å²	155	97.5 Å²	97.5	72%	0.724	47%	0.467	S	S	*	.	H	α-helix	trans	-51.8	-34.3	165.9	-65.4	-178.6	156.4	0	0	110.2	Q45 Y49 K50 D51	Q45-E47 PolarHBondContact O-N 2.79Å; E47-Y49 PolarHBondContact O-N 3.45Å; E47-K50 PolarHBondContact O-N 2.89Å; E47-D51 WeakPolarHBondContact O-CB 3.03Å; E47-D51 PolarHBondContact O-N 3.13Å
48	T	42.7	Very low	45.7	Very low	81 Å²	81	101.7 Å²	101.7	50%	0.497	49%	0.49	S	S	.	.	H	α-helix	trans	-55	-23.4	173.9	60.4	0	0	0	0	114.7	N46 D51 F52	N46-T48 VanDerWaalsContact CB-OG1 3.25Å; N46-T48 WeakPolarHBondContact CB-OG1 3.39Å; N46-T48 PolarHBondContact ND2-OG1 3.49Å; N46-T48 PolarHBondContact O-N 2.89Å; N46-T48 VanDerWaalsContact O-N 3.17Å; N46-T48 PolarHBondContact OD1-OG1 2.91Å; T48-D51 CarbonylContact O-C 3.58Å; T48-F52 WeakPolarHBondContact O-CA 3.29Å; T48-F52 WeakPolarHBondContact O-CB 3.26Å; T48-F52 PolarHBondContact O-N 3.46Å
49	Y	41.3	Very low	44.9	Very low	58 Å²	58	99.5 Å²	99.5	23%	0.227	48%	0.48	C	S	.	.	H	α-helix	trans	-82	-39.2	179.1	-170.4	-101.6	0	0	0	112.9	V43 N46 E47 D51 F52 Y53 I179	V43-Y49 HydrophobicContact CG1-CD2 3.99Å; V43-Y49 HydrophobicContact CG1-CE2 4.29Å; V43-Y49 HydrophobicContact CG1-CG 4.26Å; N46-Y49 PolarHBondContact O-N 3.28Å; E47-Y49 PolarHBondContact O-N 3.45Å; Y49-D51 VanDerWaalsContact C-N 3.31Å; Y49-F52 PolarHBondContact O-N 2.85Å; Y49-Y53 HydrophobicContact CE1-CE2 4.23Å; Y49-Y53 HydrophobicContact CE2-CE2 4.07Å; Y49-Y53 AromaticContact CZ-CE2 3.8Å; Y49-I179 WeakPolarHBondContact OH-CD1 3.34Å; Y49-I179 WeakPolarHBondContact OH-CG1 3.36Å; Y49-I179 WeakPolarHBondContact OH-CG2 3.22Å
50	K	41.7	Very low	44	Very low	162 Å²	162	100 Å²	100	70%	0.704	48%	0.479	S	S	*	.	H	α-helix	trans	-62	-46.6	166.4	-76.7	-178.9	178.9	174.7	0	108.9	E47 F52 Y53 F54	E47-K50 PolarHBondContact O-N 2.89Å; K50-F52 VanDerWaalsContact C-N 3.31Å; K50-F52 PolarHBondContact O-N 2.95Å; K50-Y53 PolarHBondContact O-N 3.36Å; K50-F54 WeakPolarHBondContact O-CD2 3Å; K50-F54 PolarHBondContact O-N 3.24Å
51	D	41.5	Very low	43.6	Very low	70 Å²	70	100.4 Å²	100.4	37%	0.374	49%	0.485	S	S	.	.	H	α-helix	trans	-66.8	-27.9	179.6	-66.6	-24	0	0	0	113.4	E47 T48 Y49 Y53 F54 N55	E47-D51 WeakPolarHBondContact O-CB 3.03Å; E47-D51 PolarHBondContact O-N 3.13Å; T48-D51 CarbonylContact O-C 3.58Å; Y49-D51 VanDerWaalsContact C-N 3.31Å; D51-Y53 PolarHBondContact O-N 3.41Å; D51-F54 PolarHBondContact O-N 3.23Å; D51-N55 WeakPolarHBondContact CB-ND2 3.28Å; D51-N55 WeakPolarHBondContact O-CA 3.37Å; D51-N55 WeakPolarHBondContact O-CB 3.36Å; D51-N55 PolarHBondContact O-N 3.22Å; D51-N55 PolarHBondContact O-ND2 3.19Å
52	F	44.4	Very low	43.3	Very low	141 Å²	141	101.1 Å²	101.1	62%	0.618	49%	0.489	S	S	*	.	H	α-helix	trans	-59.6	-37.7	-179.6	-163.8	-103	0	0	0	111.2	T48 Y49 K50 D56	T48-F52 WeakPolarHBondContact O-CA 3.29Å; T48-F52 WeakPolarHBondContact O-CB 3.26Å; T48-F52 PolarHBondContact O-N 3.46Å; Y49-F52 PolarHBondContact O-N 2.85Å; K50-F52 VanDerWaalsContact C-N 3.31Å; K50-F52 PolarHBondContact O-N 2.95Å; F52-D56 PolarHBondContact O-N 3.26Å
53	Y	38.1	Very low	42.5	Very low	72 Å²	72	96.8 Å²	96.8	28%	0.282	48%	0.48	S	S	.	.	H	α-helix	trans	-87.4	-34	176.7	-68.6	-75.4	0	0	0	112.5	Y49 K50 D51 N55 L59	Y49-Y53 HydrophobicContact CE1-CE2 4.23Å; Y49-Y53 HydrophobicContact CE2-CE2 4.07Å; Y49-Y53 AromaticContact CZ-CE2 3.8Å; K50-Y53 PolarHBondContact O-N 3.36Å; D51-Y53 PolarHBondContact O-N 3.41Å; Y53-N55 VanDerWaalsContact C-N 3.34Å; Y53-L59 VanDerWaalsContact O-CD2 3.29Å; Y53-L59 WeakPolarHBondContact O-CD2 3.36Å
54	F	41.4	Very low	42	Very low	153 Å²	153	98.3 Å²	98.3	67%	0.671	49%	0.486	S	S	*	.	H	α-helix	trans	-71.5	-27.8	176.9	-83.1	-72.3	0	0	0	113.7	K50 D51	K50-F54 WeakPolarHBondContact O-CD2 3Å; K50-F54 PolarHBondContact O-N 3.24Å; D51-F54 PolarHBondContact O-N 3.23Å
55	N	39.8	Very low	41.6	Very low	100 Å²	100	100.7 Å²	100.7	54%	0.535	49%	0.487	S	S	.	.	S	Bend	trans	-107.3	6.6	-178.5	-61.1	-38.7	0	0	0	113.4	D51 Y53 D57	D51-N55 WeakPolarHBondContact CB-ND2 3.28Å; D51-N55 WeakPolarHBondContact O-CA 3.37Å; D51-N55 WeakPolarHBondContact O-CB 3.36Å; D51-N55 PolarHBondContact O-N 3.22Å; D51-N55 PolarHBondContact O-ND2 3.19Å; Y53-N55 VanDerWaalsContact C-N 3.34Å; N55-D57 PolarHBondContact O-N 2.96Å
56	D	44.6	Very low	41.1	Very low	59 Å²	59	98.7 Å²	98.7	32%	0.316	48%	0.478	S	S	.	.			trans	-64.3	102.4	169.7	-169.7	-20	0	0	0	108	F52 N58 L59 R60	F52-D56 PolarHBondContact O-N 3.26Å; D56-N58 PolarHBondContact O-N 2.88Å; D56-N58 VanDerWaalsContact O-N 3.11Å; D56-N58 VanDerWaalsContact OD1-CB 3.29Å; D56-N58 WeakPolarHBondContact OD1-CB 3.12Å; D56-N58 PolarHBondContact OD1-N 3.5Å; D56-L59 HydrophobicContact CB-CB 3.93Å; D56-L59 WeakPolarHBondContact O-CA 3.27Å; D56-L59 WeakPolarHBondContact O-CB 3.24Å; D56-L59 PolarHBondContact O-N 3.24Å; D56-R60 PolarHBondContact O-N 3.06Å
57	D	42.9	Very low	40.6	Very low	105 Å²	105	98.7 Å²	98.7	56%	0.561	48%	0.477	S	S	*	.	H	α-helix	trans	-55.8	-25.6	177.5	-86.3	-42.5	0	0	0	111.5	N55 N61	N55-D57 PolarHBondContact O-N 2.96Å; D57-N61 WeakPolarHBondContact CB-ND2 3.46Å; D57-N61 WeakPolarHBondContact O-CA 3.35Å; D57-N61 WeakPolarHBondContact O-CB 3.49Å; D57-N61 VanDerWaalsContact O-CG 3.25Å; D57-N61 PolarHBondContact O-N 3.1Å; D57-N61 PolarHBondContact O-ND2 3.43Å; D57-N61 PolarHBondContact OD1-ND2 3.49Å
58	N	40.1	Very low	39.9	Very low	112 Å²	112	96.5 Å²	96.5	60%	0.599	48%	0.479	S	S	*	.	H	α-helix	trans	-73.9	-39.5	172.7	-68	-54	0	0	0	111.8	D56 T62	D56-N58 PolarHBondContact O-N 2.88Å; D56-N58 VanDerWaalsContact O-N 3.11Å; D56-N58 VanDerWaalsContact OD1-CB 3.29Å; D56-N58 WeakPolarHBondContact OD1-CB 3.12Å; D56-N58 PolarHBondContact OD1-N 3.5Å; N58-T62 WeakPolarHBondContact O-CB 3.44Å; N58-T62 PolarHBondContact O-N 2.82Å; N58-T62 VanDerWaalsContact O-N 3.12Å; N58-T62 PolarHBondContact O-OG1 2.94Å
59	L	45.1	Very low	39.4	Very low	51 Å²	51	101.5 Å²	101.5	27%	0.267	49%	0.494	S	S	.	.	H	α-helix	trans	-67.3	-45.8	174.4	-169.5	70.9	0	0	0	110.8	Y53 D56 V63	Y53-L59 VanDerWaalsContact O-CD2 3.29Å; Y53-L59 WeakPolarHBondContact O-CD2 3.36Å; D56-L59 HydrophobicContact CB-CB 3.93Å; D56-L59 WeakPolarHBondContact O-CA 3.27Å; D56-L59 WeakPolarHBondContact O-CB 3.24Å; D56-L59 PolarHBondContact O-N 3.24Å; L59-V63 HydrophobicContact CD1-CB 4.48Å; L59-V63 HydrophobicContact CD1-CG2 3.87Å; L59-V63 WeakPolarHBondContact O-CA 3.21Å; L59-V63 WeakPolarHBondContact O-CB 3.48Å; L59-V63 PolarHBondContact O-N 2.82Å
60	R	38	Very low	38.7	Very low	143 Å²	143	106.9 Å²	106.9	54%	0.54	52%	0.521	S	S	.	.	I	π-helix	trans	-71.3	-46.7	-178.3	-169.1	-179.1	177.5	107.6	1.2	112.8	D56 L64 K65	D56-R60 PolarHBondContact O-N 3.06Å; R60-L64 HydrophobicContact CG-CD1 4.27Å; R60-L64 WeakPolarHBondContact O-CB 3.44Å; R60-L64 PolarHBondContact O-N 2.69Å; R60-K65 PolarHBondContact O-N 3.09Å
61	N	39.6	Very low	38.1	Very low	70 Å²	70	108 Å²	108	37%	0.374	53%	0.529	S	S	.	.	I	π-helix	trans	-80.1	-18.5	-177	-62.3	-57.7	0	0	0	113.4	D57 K65	D57-N61 WeakPolarHBondContact CB-ND2 3.46Å; D57-N61 WeakPolarHBondContact O-CA 3.35Å; D57-N61 WeakPolarHBondContact O-CB 3.49Å; D57-N61 VanDerWaalsContact O-CG 3.25Å; D57-N61 PolarHBondContact O-N 3.1Å; D57-N61 PolarHBondContact O-ND2 3.43Å; D57-N61 PolarHBondContact OD1-ND2 3.49Å; N61-K65 WeakPolarHBondContact O-CB 3.46Å
62	T	42.6	Very low	38	Very low	55 Å²	55	110.8 Å²	110.8	34%	0.337	55%	0.554	S	S	.	*	I	π-helix	trans	-104.1	-39.7	-179.7	-36.8	0	0	0	0	112.9	N58 H66	N58-T62 WeakPolarHBondContact O-CB 3.44Å; N58-T62 PolarHBondContact O-N 2.82Å; N58-T62 VanDerWaalsContact O-N 3.12Å; N58-T62 PolarHBondContact O-OG1 2.94Å; T62-H66 PolarHBondContact O-CD2 3.29Å; T62-H66 VanDerWaalsContact O-CD2 3.24Å
63	V	38.3	Very low	37.5	Very low	61 Å²	61	108.3 Å²	108.3	37%	0.37	55%	0.554	S	S	.	*	I	π-helix	trans	-89.6	-48.5	-178.3	-175.1	0	0	0	0	111	L59 L67	L59-V63 HydrophobicContact CD1-CB 4.48Å; L59-V63 HydrophobicContact CD1-CG2 3.87Å; L59-V63 WeakPolarHBondContact O-CA 3.21Å; L59-V63 WeakPolarHBondContact O-CB 3.48Å; L59-V63 PolarHBondContact O-N 2.82Å; V63-L67 HydrophobicContact CG1-CD1 4.15Å; V63-L67 VanDerWaalsContact O-CD1 3.27Å; V63-L67 WeakPolarHBondContact O-CD1 3.23Å; V63-L67 VanDerWaalsContact O-CG 3.25Å; V63-L67 WeakPolarHBondContact O-CG 3.45Å; V63-L67 PolarHBondContact O-N 3.27Å
64	L	37.6	Very low	37.3	Very low	89 Å²	89	115.6 Å²	115.6	47%	0.466	58%	0.583	S	S	.	*	I	π-helix	trans	-80.2	-29.5	-175.4	-76.9	160.9	0	0	0	114	R60 H66 L67 F69	R60-L64 HydrophobicContact CG-CD1 4.27Å; R60-L64 WeakPolarHBondContact O-CB 3.44Å; R60-L64 PolarHBondContact O-N 2.69Å; L64-H66 VanDerWaalsContact C-N 3.34Å; L64-L67 HydrophobicContact CD2-CD1 4.31Å; L64-L67 PolarHBondContact O-N 3.29Å; L64-F69 HydrophobicContact CD2-CE2 4.49Å
65	K	37	Very low	36.8	Very low	153 Å²	153	114.2 Å²	114.2	67%	0.665	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-24.8	179.5	-146.8	177.2	-174.7	176.4	0	113.5	R60 N61	R60-K65 PolarHBondContact O-N 3.09Å; N61-K65 WeakPolarHBondContact O-CB 3.46Å
66	H	37.4	Very low	36.8	Very low	104 Å²	104	114.2 Å²	114.2	48%	0.481	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.8	-9.2	176.8	-69.5	-63.7	0	0	0	113.3	T62 L64 S68	T62-H66 PolarHBondContact O-CD2 3.29Å; T62-H66 VanDerWaalsContact O-CD2 3.24Å; L64-H66 VanDerWaalsContact C-N 3.34Å; H66-S68 PolarHBondContact O-N 3.33Å; H66-S68 VanDerWaalsContact O-N 3.08Å
67	L	34.7	Very low	36.4	Very low	79 Å²	79	115.7 Å²	115.7	41%	0.414	60%	0.598	S	S	.	*	S	Bend	trans	-77.6	78.9	160.7	-73.4	162	0	0	0	107.7	V63 L64 F69	V63-L67 HydrophobicContact CG1-CD1 4.15Å; V63-L67 VanDerWaalsContact O-CD1 3.27Å; V63-L67 WeakPolarHBondContact O-CD1 3.23Å; V63-L67 VanDerWaalsContact O-CG 3.25Å; V63-L67 WeakPolarHBondContact O-CG 3.45Å; V63-L67 PolarHBondContact O-N 3.27Å; L64-L67 HydrophobicContact CD2-CD1 4.31Å; L64-L67 PolarHBondContact O-N 3.29Å; L67-F69 PolarHBondContact O-N 3.09Å
68	S	29.7	Very low	36.3	Very low	108 Å²	108	119.3 Å²	119.3	76%	0.755	60%	0.604	S	S	*	*			trans	-57.3	110.4	170.2	-65.4	0	0	0	0	108.1	H66 E70	H66-S68 PolarHBondContact O-N 3.33Å; H66-S68 VanDerWaalsContact O-N 3.08Å; S68-E70 PolarHBondContact O-N 2.92Å
69	F	31.6	Very low	36.4	Very low	187 Å²	187	118.9 Å²	118.9	82%	0.82	60%	0.601	S	S	*	*	S	Bend	trans	-72.4	43.7	-169.2	-118	-87.4	0	0	0	112.7	L64 L67	L64-F69 HydrophobicContact CD2-CE2 4.49Å; L67-F69 PolarHBondContact O-N 3.09Å
70	E	27.6	Very low	36.4	Very low	170 Å²	170	119.9 Å²	119.9	79%	0.794	61%	0.61	S	S	*	*			trans	-143.1	121.1	175.8	-66.7	-164.7	178.1	0	0	110.2	S68	S68-E70 PolarHBondContact O-N 2.92Å
71	Q	28.8	Very low	36.5	Very low	186 Å²	186	115.8 Å²	115.8	87%	0.869	60%	0.598	S	S	*	*	S	Bend	trans	95.5	123.8	171.2	-53.7	179.2	11.7	0	0	116.5	S73	Q71-S73 PolarHBondContact O-N 2.94Å
72	S	39.7	Very low	36.7	Very low	129 Å²	129	116.7 Å²	116.7	90%	0.902	60%	0.602	S	S	*	*	S	Bend	trans	-72.6	39.1	-163.7	54.7	0	0	0	0	115.6
73	S	33.5	Very low	36.8	Very low	89 Å²	89	120.3 Å²	120.3	62%	0.622	61%	0.614	S	S	*	*			trans	-150.7	103.3	179.1	173.7	0	0	0	0	110.7	Q71 V75	Q71-S73 PolarHBondContact O-N 2.94Å; S73-V75 PolarHBondContact O-N 2.96Å
74	Y	33.8	Very low	37	Very low	224 Å²	224	119.4 Å²	119.4	88%	0.878	61%	0.608	S	S	*	*			trans	-62.2	81.4	-179.9	-55.9	-89.5	0	0	0	112.9
75	V	30.1	Very low	37.2	Very low	124 Å²	124	121.5 Å²	121.5	75%	0.752	61%	0.613	S	S	*	*			trans	-140.7	109.1	170.1	-171.2	0	0	0	0	109.6	S73	S73-V75 PolarHBondContact O-N 2.96Å
76	V	39.7	Very low	37.5	Very low	100 Å²	100	120.3 Å²	120.3	61%	0.606	61%	0.614	S	S	*	*			trans	-90.6	130.9	172.6	-180	0	0	0	0	108.8	M81	V76-M81 HydrophobicContact CG1-CG 3.89Å; V76-M81 HydrophobicContact CG1-SD 3.71Å
77	D	37.4	Very low	38.1	Very low	91 Å²	91	121.8 Å²	121.8	49%	0.487	62%	0.621	S	S	.	*			trans	-69.9	138.9	-179.8	179.2	49	0	0	0	112.6	N79	D77-N79 PolarHBondContact O-N 3.45Å
78	R	40.1	Very low	38.5	Very low	181 Å²	181	122.8 Å²	122.8	68%	0.683	63%	0.626	S	S	*	*	H	α-helix	trans	-66.8	-34.1	-170.9	-173.7	-176.8	-175.3	115.3	1	112.8	M81 I82	R78-M81 PolarHBondContact O-N 3.47Å; R78-I82 PolarHBondContact O-N 3.17Å
79	N	41.3	Very low	39.2	Very low	102 Å²	102	124.5 Å²	124.5	55%	0.545	63%	0.627	S	S	.	*	H	α-helix	trans	-74.4	-36.8	-173.7	-64.6	-33.5	0	0	0	111.3	D77 M81 I82 E83	D77-N79 PolarHBondContact O-N 3.45Å; N79-M81 PolarHBondContact O-N 3.45Å; N79-I82 PolarHBondContact O-N 3.46Å; N79-E83 PolarHBondContact O-N 3.44Å
80	T	46.6	Very low	39.7	Very low	73 Å²	73	119.9 Å²	119.9	45%	0.448	61%	0.611	S	S	.	*	H	α-helix	trans	-58.3	-33.6	173.4	-32	0	0	0	0	111.8	L84	T80-L84 PolarHBondContact O-N 3.39Å
81	M	39.1	Very low	40.2	Very low	57 Å²	57	119.9 Å²	119.9	28%	0.281	61%	0.611	S	S	.	*	H	α-helix	trans	-79.8	-27.7	-178.7	-58.7	-62	-81.5	0	0	113.5	V76 R78 N79 E83 L84 K85 I99	V76-M81 HydrophobicContact CG1-CG 3.89Å; V76-M81 HydrophobicContact CG1-SD 3.71Å; R78-M81 PolarHBondContact O-N 3.47Å; N79-M81 PolarHBondContact O-N 3.45Å; M81-E83 VanDerWaalsContact C-N 3.34Å; M81-L84 PolarHBondContact O-N 3.38Å; M81-L84 HydrophobicContact SD-CD1 3.83Å; M81-K85 PolarHBondContact O-N 3.26Å; M81-I99 HydrophobicContact CE-CD1 3.89Å; M81-I99 HydrophobicContact CE-CG1 4.36Å; M81-I99 HydrophobicContact CE-CG2 3.4Å; M81-I99 VanDerWaalsContact CE-CG2 3.4Å
82	I	44.9	Very low	40.7	Very low	89 Å²	89	117.4 Å²	117.4	46%	0.456	60%	0.604	S	S	.	*	H	α-helix	trans	-67.9	-38.4	174.2	-66.9	171.5	0	0	0	110.2	R78 N79 L84 K85	R78-I82 PolarHBondContact O-N 3.17Å; N79-I82 PolarHBondContact O-N 3.46Å; I82-L84 VanDerWaalsContact C-N 3.34Å; I82-L84 PolarHBondContact O-N 3.25Å; I82-K85 WeakPolarHBondContact O-CB 3.22Å; I82-K85 PolarHBondContact O-N 3.41Å
83	E	44	Very low	40.7	Very low	130 Å²	130	113 Å²	113	61%	0.607	57%	0.573	S	S	*	*	H	α-helix	trans	-64.1	-39	176.6	-67.4	-178.1	169.9	0	0	111.8	N79 M81 K85 N86	N79-E83 PolarHBondContact O-N 3.44Å; M81-E83 VanDerWaalsContact C-N 3.34Å; E83-K85 VanDerWaalsContact C-N 3.35Å; E83-K85 PolarHBondContact O-N 3.06Å; E83-N86 PolarHBondContact O-N 3.48Å
84	L	43	Very low	41	Very low	43 Å²	43	116.9 Å²	116.9	23%	0.225	58%	0.581	C	S	.	*	H	α-helix	trans	-65.3	-33.2	176.8	-70.7	169.9	0	0	0	113.4	T80 M81 I82 N86 Q87	T80-L84 PolarHBondContact O-N 3.39Å; M81-L84 PolarHBondContact O-N 3.38Å; M81-L84 HydrophobicContact SD-CD1 3.83Å; I82-L84 VanDerWaalsContact C-N 3.34Å; I82-L84 PolarHBondContact O-N 3.25Å; L84-N86 VanDerWaalsContact C-N 3.3Å; L84-N86 PolarHBondContact O-N 3.24Å; L84-Q87 PolarHBondContact O-N 3.41Å
85	K	40.7	Very low	41.3	Very low	132 Å²	132	109.4 Å²	109.4	57%	0.574	56%	0.556	S	S	*	*	H	α-helix	trans	-60.2	-40.2	176.8	-176.2	-177.3	177.5	-177.5	0	112	M81 I82 E83 Q87	M81-K85 PolarHBondContact O-N 3.26Å; I82-K85 WeakPolarHBondContact O-CB 3.22Å; I82-K85 PolarHBondContact O-N 3.41Å; E83-K85 VanDerWaalsContact C-N 3.35Å; E83-K85 PolarHBondContact O-N 3.06Å; K85-Q87 VanDerWaalsContact C-N 3.29Å; K85-Q87 PolarHBondContact O-N 3.34Å
86	N	44.6	Very low	41.6	Very low	128 Å²	128	105.1 Å²	105.1	68%	0.684	53%	0.531	S	S	*	.	H	α-helix	trans	-75.9	-18.9	-178.1	-69.6	-19.3	0	0	0	112.7	E83 L84	E83-N86 PolarHBondContact O-N 3.48Å; L84-N86 VanDerWaalsContact C-N 3.3Å; L84-N86 PolarHBondContact O-N 3.24Å
87	Q	48.3	Very low	41.4	Very low	135 Å²	135	107.2 Å²	107.2	63%	0.631	53%	0.529	S	S	*	.	H	α-helix	trans	-84.6	-36.6	-176.2	-72.4	-179.5	-5.2	0	0	113.7	L84 K85	L84-Q87 PolarHBondContact O-N 3.41Å; K85-Q87 VanDerWaalsContact C-N 3.29Å; K85-Q87 PolarHBondContact O-N 3.34Å
88	N	43.9	Very low	41.4	Very low	100 Å²	100	107.1 Å²	107.1	54%	0.535	54%	0.535	S	S	.	.	S	Bend	trans	-117	12.7	-160.7	-71.3	-35.6	0	0	0	116.4	L90	N88-L90 HydrophobicContact CB-CD1 3.93Å; N88-L90 HydrophobicContact CB-CG 4.27Å; N88-L90 PolarHBondContact O-N 3.43Å
89	N	43.7	Very low	41.2	Very low	145 Å²	145	102.4 Å²	102.4	78%	0.775	52%	0.523	S	S	*	.			trans	40.1	44.9	173.4	-78.6	-18.4	0	0	0	113.8	E91	N89-E91 PolarHBondContact O-N 3.33Å
90	L	42.5	Very low	40.9	Very low	90 Å²	90	103 Å²	103	47%	0.471	52%	0.524	S	S	.	.			trans	-78.2	65.5	-179.8	-78.1	151	0	0	0	109.7	N88 N92	N88-L90 HydrophobicContact CB-CD1 3.93Å; N88-L90 HydrophobicContact CB-CG 4.27Å; N88-L90 PolarHBondContact O-N 3.43Å; L90-N92 PolarHBondContact O-N 3.28Å
91	E	37.7	Very low	40.4	Very low	170 Å²	170	103.8 Å²	103.8	79%	0.794	53%	0.525	S	S	*	.			trans	-72.1	109	165.4	-70.3	-173	165.9	0	0	107.8	N89	N89-E91 PolarHBondContact O-N 3.33Å
92	N	40.6	Very low	40.2	Very low	134 Å²	134	103.7 Å²	103.7	72%	0.717	54%	0.538	S	S	*	.	S	Bend	trans	87.5	22.1	163.1	-48.2	-43.5	0	0	0	120.1	L90	L90-N92 PolarHBondContact O-N 3.28Å
93	S	38.5	Very low	39.6	Very low	37 Å²	37	104.6 Å²	104.6	26%	0.259	54%	0.537	S	S	.	.			trans	-85.8	136.5	166.5	102.3	0	0	0	0	112	I95 C96	S93-I95 PolarHBondContact O-N 3.39Å; S93-C96 WeakPolarHBondContact O-CA 3.42Å; S93-C96 WeakPolarHBondContact O-CB 3.45Å; S93-C96 PolarHBondContact O-N 3.35Å
94	E	40.2	Very low	39.2	Very low	170 Å²	170	102.5 Å²	102.5	79%	0.794	54%	0.535	S	S	*	.	H	α-helix	trans	-56.9	-20.3	178.6	-67.6	176.2	157.7	0	0	113.5	Y97 S98	E94-Y97 PolarHBondContact O-N 2.74Å; E94-S98 PolarHBondContact O-N 2.89Å; E94-S98 PolarHBondContact O-OG 3.12Å
95	I	40	Very low	39.1	Very low	67 Å²	67	109 Å²	109	34%	0.344	57%	0.569	S	S	.	*	H	α-helix	trans	-67.6	-37.6	172.8	-58.1	169.5	0	0	0	110.6	S93 Y97 S98 I99	S93-I95 PolarHBondContact O-N 3.39Å; I95-Y97 VanDerWaalsContact C-N 3.31Å; I95-Y97 PolarHBondContact O-N 3.37Å; I95-S98 PolarHBondContact O-N 3.21Å; I95-I99 HydrophobicContact CG2-CD1 3.82Å; I95-I99 WeakPolarHBondContact O-CG1 3.42Å; I95-I99 PolarHBondContact O-N 3.38Å
96	C	37.6	Very low	38.7	Very low	34 Å²	34	108 Å²	108	23%	0.23	58%	0.578	C	S	.	*	H	α-helix	trans	-61.7	-39.6	178	-151.2	0	0	0	0	111.1	S93 S98 I99 M100	S93-C96 WeakPolarHBondContact O-CA 3.42Å; S93-C96 WeakPolarHBondContact O-CB 3.45Å; S93-C96 PolarHBondContact O-N 3.35Å; C96-S98 PolarHBondContact O-N 3.49Å; C96-I99 PolarHBondContact O-N 3.38Å; C96-M100 WeakPolarHBondContact O-CB 3.44Å; C96-M100 WeakPolarHBondContact O-CG 3.26Å; C96-M100 PolarHBondContact O-N 3Å
97	Y	35.6	Very low	38	Very low	143 Å²	143	106 Å²	106	56%	0.561	57%	0.574	S	S	*	*	H	α-helix	trans	-65.9	-35.4	177.6	-76.3	-78.9	0	0	0	113.7	E94 I95	E94-Y97 PolarHBondContact O-N 2.74Å; I95-Y97 VanDerWaalsContact C-N 3.31Å; I95-Y97 PolarHBondContact O-N 3.37Å
98	S	35.8	Very low	37.1	Very low	89 Å²	89	103.1 Å²	103.1	62%	0.622	56%	0.56	S	S	*	*	H	α-helix	trans	-71	-34.8	179.4	-60.3	0	0	0	0	112	E94 I95 C96	E94-S98 PolarHBondContact O-N 2.89Å; E94-S98 PolarHBondContact O-OG 3.12Å; I95-S98 PolarHBondContact O-N 3.21Å; C96-S98 PolarHBondContact O-N 3.49Å
99	I	37.4	Very low	36.4	Very low	83 Å²	83	107.9 Å²	107.9	43%	0.426	58%	0.576	S	S	.	*	H	α-helix	trans	-86.3	-38.3	-175.7	-66.3	172	0	0	0	112	M81 I95 C96 N101 G102	M81-I99 HydrophobicContact CE-CD1 3.89Å; M81-I99 HydrophobicContact CE-CG1 4.36Å; M81-I99 HydrophobicContact CE-CG2 3.4Å; M81-I99 VanDerWaalsContact CE-CG2 3.4Å; I95-I99 HydrophobicContact CG2-CD1 3.82Å; I95-I99 WeakPolarHBondContact O-CG1 3.42Å; I95-I99 PolarHBondContact O-N 3.38Å; C96-I99 PolarHBondContact O-N 3.38Å; I99-N101 PolarHBondContact O-N 3.25Å; I99-G102 PolarHBondContact O-N 3.09Å; I99-G102 VanDerWaalsContact O-N 3.09Å
100	M	34.7	Very low	35.6	Very low	115 Å²	115	104.7 Å²	104.7	57%	0.567	56%	0.558	S	S	*	*	H	α-helix	trans	-54.3	-27.2	-177.3	-85.2	-176.7	67.3	0	0	113.9	C96	C96-M100 WeakPolarHBondContact O-CB 3.44Å; C96-M100 WeakPolarHBondContact O-CG 3.26Å; C96-M100 PolarHBondContact O-N 3Å
101	N	35.3	Very low	34.7	Very low	89 Å²	89	107.4 Å²	107.4	48%	0.476	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.2	5.8	-175.8	-64.1	-37	0	0	0	114.8	I99 Y103	I99-N101 PolarHBondContact O-N 3.25Å; N101-Y103 VanDerWaalsContact C-N 3.33Å; N101-Y103 HydrophobicContact CB-CD1 4.41Å; N101-Y103 HydrophobicContact CB-CD2 3.51Å; N101-Y103 HydrophobicContact CB-CE1 4.35Å; N101-Y103 HydrophobicContact CB-CE2 3.34Å; N101-Y103 HydrophobicContact CB-CG 4.11Å; N101-Y103 WeakPolarHBondContact O-CD1 3.19Å; N101-Y103 WeakPolarHBondContact O-CE1 3.38Å; N101-Y103 VanDerWaalsContact O-CG 3.26Å; N101-Y103 PolarHBondContact O-N 3.26Å
102	G	34.5	Very low	34.5	Very low	54 Å²	54	105.7 Å²	105.7	56%	0.557	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	59.2	39.5	162.5	0	0	0	0	0	114.8	I99 P104	I99-G102 PolarHBondContact O-N 3.09Å; I99-G102 VanDerWaalsContact O-N 3.09Å; G102-P104 WeakPolarHBondContact O-CD 3.45Å
103	Y	32.6	Very low	33.9	Very low	108 Å²	108	103.4 Å²	103.4	42%	0.424	56%	0.558	S	S	.	*			trans	-99	111	-164.6	-79.7	-21.4	0	0	0	111.8	N101 L105 F108 L110	N101-Y103 VanDerWaalsContact C-N 3.33Å; N101-Y103 HydrophobicContact CB-CD1 4.41Å; N101-Y103 HydrophobicContact CB-CD2 3.51Å; N101-Y103 HydrophobicContact CB-CE1 4.35Å; N101-Y103 HydrophobicContact CB-CE2 3.34Å; N101-Y103 HydrophobicContact CB-CG 4.11Å; N101-Y103 WeakPolarHBondContact O-CD1 3.19Å; N101-Y103 WeakPolarHBondContact O-CE1 3.38Å; N101-Y103 VanDerWaalsContact O-CG 3.26Å; N101-Y103 PolarHBondContact O-N 3.26Å; Y103-L105 PolarHBondContact O-N 2.86Å; Y103-F108 VanDerWaalsContact C-CE2 3.4Å; Y103-F108 HydrophobicContact CD1-CD1 4.04Å; Y103-F108 AromaticContact CD1-CE1 2.96Å; Y103-F108 HydrophobicContact CD1-CE1 2.96Å; Y103-F108 AromaticContact CD1-CE2 3.68Å; Y103-F108 HydrophobicContact CD1-CE2 3.68Å; Y103-F108 AromaticContact CD1-CZ 2.77Å; Y103-F108 HydrophobicContact CD1-CZ 2.77Å; Y103-F108 AromaticContact CD2-CD1 3.76Å; Y103-F108 HydrophobicContact CD2-CD1 3.76Å; Y103-F108 AromaticContact CD2-CE1 3.46Å; Y103-F108 HydrophobicContact CD2-CE1 3.46Å; Y103-F108 VanDerWaalsContact CD2-CE1 3.46Å; Y103-F108 HydrophobicContact CD2-CE2 4.47Å; Y103-F108 HydrophobicContact CD2-CG 4.42Å; Y103-F108 AromaticContact CD2-CZ 3.92Å; Y103-F108 HydrophobicContact CD2-CZ 3.92Å; Y103-F108 HydrophobicContact CE1-CD1 4.26Å; Y103-F108 AromaticContact CE1-CE1 3.14Å; Y103-F108 HydrophobicContact CE1-CE1 3.14Å; Y103-F108 AromaticContact CE1-CZ 3.41Å; Y103-F108 HydrophobicContact CE1-CZ 3.41Å; Y103-F108 VanDerWaalsContact CE1-CZ 3.41Å; Y103-F108 HydrophobicContact CE2-CD1 4.06Å; Y103-F108 AromaticContact CE2-CE1 3.67Å; Y103-F108 HydrophobicContact CE2-CE1 3.67Å; Y103-F108 HydrophobicContact CE2-CZ 4.43Å; Y103-F108 AromaticContact CG-CD1 3.71Å; Y103-F108 HydrophobicContact CG-CD1 3.71Å; Y103-F108 HydrophobicContact CG-CD2 4.07Å; Y103-F108 AromaticContact CG-CE1 3.07Å; Y103-F108 HydrophobicContact CG-CE1 3.07Å; Y103-F108 AromaticContact CG-CE2 3.53Å; Y103-F108 HydrophobicContact CG-CE2 3.53Å; Y103-F108 HydrophobicContact CG-CG 4.21Å; Y103-F108 AromaticContact CG-CZ 3.02Å; Y103-F108 HydrophobicContact CG-CZ 3.02Å; Y103-F108 AromaticContact CZ-CE1 3.49Å; Y103-F108 VanDerWaalsContact CZ-CE1 3.49Å; Y103-L110 HydrophobicContact CD2-CD2 3.45Å; Y103-L110 VanDerWaalsContact CD2-CD2 3.45Å; Y103-L110 HydrophobicContact CE2-CD2 3.25Å
104	P	35.6	Very low	33.7	Very low	87 Å²	87	109.2 Å²	109.2	57%	0.565	58%	0.581	S	S	*	*			trans	-62.4	126.8	175.2	21.5	-31.5	0	0	0	111.7	G102 S106 S107 F108	G102-P104 WeakPolarHBondContact O-CD 3.45Å; P104-S106 PolarHBondContact O-N 2.97Å; P104-S107 PolarHBondContact O-N 3.45Å; P104-F108 HydrophobicContact CG-CE2 4.18Å; P104-F108 WeakPolarHBondContact O-CD2 3.45Å; P104-F108 VanDerWaalsContact O-CE2 3.26Å; P104-F108 WeakPolarHBondContact O-CE2 3.48Å
105	L	41.5	Very low	33.4	Very low	179 Å²	179	106.6 Å²	106.6	94%	0.937	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.3	-17.1	-167.9	-118	83.4	0	0	0	115.8	Y103	Y103-L105 PolarHBondContact O-N 2.86Å
106	S	33.3	Very low	33.1	Very low	110 Å²	110	106.7 Å²	106.7	77%	0.769	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-5.7	-173.9	63.8	0	0	0	0	115.7	P104	P104-S106 PolarHBondContact O-N 2.97Å
107	S	29.3	Very low	33	Very low	86 Å²	86	110.8 Å²	110.8	60%	0.601	59%	0.59	S	S	*	*			trans	-142.3	56.6	-170.5	-51.8	0	0	0	0	112.9	P104	P104-S107 PolarHBondContact O-N 3.45Å
108	F	29.2	Very low	33	Very low	75 Å²	75	107.9 Å²	107.9	33%	0.329	59%	0.59	S	S	.	*			trans	-115	87.5	178.6	-92.7	-68.4	0	0	0	114.3	Y103 P104 L110	Y103-F108 VanDerWaalsContact C-CE2 3.4Å; Y103-F108 HydrophobicContact CD1-CD1 4.04Å; Y103-F108 AromaticContact CD1-CE1 2.96Å; Y103-F108 HydrophobicContact CD1-CE1 2.96Å; Y103-F108 AromaticContact CD1-CE2 3.68Å; Y103-F108 HydrophobicContact CD1-CE2 3.68Å; Y103-F108 AromaticContact CD1-CZ 2.77Å; Y103-F108 HydrophobicContact CD1-CZ 2.77Å; Y103-F108 AromaticContact CD2-CD1 3.76Å; Y103-F108 HydrophobicContact CD2-CD1 3.76Å; Y103-F108 AromaticContact CD2-CE1 3.46Å; Y103-F108 HydrophobicContact CD2-CE1 3.46Å; Y103-F108 VanDerWaalsContact CD2-CE1 3.46Å; Y103-F108 HydrophobicContact CD2-CE2 4.47Å; Y103-F108 HydrophobicContact CD2-CG 4.42Å; Y103-F108 AromaticContact CD2-CZ 3.92Å; Y103-F108 HydrophobicContact CD2-CZ 3.92Å; Y103-F108 HydrophobicContact CE1-CD1 4.26Å; Y103-F108 AromaticContact CE1-CE1 3.14Å; Y103-F108 HydrophobicContact CE1-CE1 3.14Å; Y103-F108 AromaticContact CE1-CZ 3.41Å; Y103-F108 HydrophobicContact CE1-CZ 3.41Å; Y103-F108 VanDerWaalsContact CE1-CZ 3.41Å; Y103-F108 HydrophobicContact CE2-CD1 4.06Å; Y103-F108 AromaticContact CE2-CE1 3.67Å; Y103-F108 HydrophobicContact CE2-CE1 3.67Å; Y103-F108 HydrophobicContact CE2-CZ 4.43Å; Y103-F108 AromaticContact CG-CD1 3.71Å; Y103-F108 HydrophobicContact CG-CD1 3.71Å; Y103-F108 HydrophobicContact CG-CD2 4.07Å; Y103-F108 AromaticContact CG-CE1 3.07Å; Y103-F108 HydrophobicContact CG-CE1 3.07Å; Y103-F108 AromaticContact CG-CE2 3.53Å; Y103-F108 HydrophobicContact CG-CE2 3.53Å; Y103-F108 HydrophobicContact CG-CG 4.21Å; Y103-F108 AromaticContact CG-CZ 3.02Å; Y103-F108 HydrophobicContact CG-CZ 3.02Å; Y103-F108 AromaticContact CZ-CE1 3.49Å; Y103-F108 VanDerWaalsContact CZ-CE1 3.49Å; P104-F108 HydrophobicContact CG-CE2 4.18Å; P104-F108 WeakPolarHBondContact O-CD2 3.45Å; P104-F108 VanDerWaalsContact O-CE2 3.26Å; P104-F108 WeakPolarHBondContact O-CE2 3.48Å; F108-L110 HydrophobicContact CB-CD1 4.28Å; F108-L110 HydrophobicContact CB-CG 3.88Å; F108-L110 HydrophobicContact CD1-CB 4.45Å; F108-L110 HydrophobicContact CD1-CD2 3.34Å; F108-L110 HydrophobicContact CD1-CG 3.51Å; F108-L110 HydrophobicContact CE1-CD2 4.1Å; F108-L110 HydrophobicContact CG-CD2 4.07Å; F108-L110 HydrophobicContact CG-CG 3.93Å; F108-L110 PolarHBondContact O-N 3.16Å
109	K	28.4	Very low	33.1	Very low	201 Å²	201	106.9 Å²	106.9	87%	0.874	58%	0.576	S	S	*	*			trans	-73.4	82.9	138.2	-81.8	-177.8	176.4	179.5	0	106.6	N111	K109-N111 PolarHBondContact O-N 3.05Å; K109-N111 VanDerWaalsContact O-N 3.12Å
110	L	27.7	Very low	32.9	Very low	77 Å²	77	109.7 Å²	109.7	40%	0.403	59%	0.585	S	S	.	*			trans	-64.9	110.7	170.2	-75.7	157.1	0	0	0	107.8	Y103 F108 F112	Y103-L110 HydrophobicContact CD2-CD2 3.45Å; Y103-L110 VanDerWaalsContact CD2-CD2 3.45Å; Y103-L110 HydrophobicContact CE2-CD2 3.25Å; F108-L110 HydrophobicContact CB-CD1 4.28Å; F108-L110 HydrophobicContact CB-CG 3.88Å; F108-L110 HydrophobicContact CD1-CB 4.45Å; F108-L110 HydrophobicContact CD1-CD2 3.34Å; F108-L110 HydrophobicContact CD1-CG 3.51Å; F108-L110 HydrophobicContact CE1-CD2 4.1Å; F108-L110 HydrophobicContact CG-CD2 4.07Å; F108-L110 HydrophobicContact CG-CG 3.93Å; F108-L110 PolarHBondContact O-N 3.16Å; L110-F112 HydrophobicContact CB-CD2 3.82Å; L110-F112 HydrophobicContact CD1-CD2 3.91Å; L110-F112 HydrophobicContact CD1-CE2 3.93Å; L110-F112 HydrophobicContact CD2-CD2 4.23Å; L110-F112 HydrophobicContact CD2-CE2 4.31Å; L110-F112 HydrophobicContact CG-CD2 4.16Å; L110-F112 HydrophobicContact CG-CE2 4.48Å; L110-F112 PolarHBondContact O-N 3.44Å
111	N	24.3	Very low	33.2	Very low	148 Å²	148	107.9 Å²	107.9	79%	0.791	57%	0.572	S	S	*	*			trans	-70.3	64.1	149.4	-69.4	-21.5	0	0	0	107.3	K109 S113	K109-N111 PolarHBondContact O-N 3.05Å; K109-N111 VanDerWaalsContact O-N 3.12Å; N111-S113 PolarHBondContact O-N 3.29Å
112	F	32.4	Very low	33.4	Very low	134 Å²	134	106.4 Å²	106.4	59%	0.588	56%	0.564	S	S	*	*			trans	-55.6	123.8	148.6	-104.1	-85.6	0	0	0	103.6	L110 E114	L110-F112 HydrophobicContact CB-CD2 3.82Å; L110-F112 HydrophobicContact CD1-CD2 3.91Å; L110-F112 HydrophobicContact CD1-CE2 3.93Å; L110-F112 HydrophobicContact CD2-CD2 4.23Å; L110-F112 HydrophobicContact CD2-CE2 4.31Å; L110-F112 HydrophobicContact CG-CD2 4.16Å; L110-F112 HydrophobicContact CG-CE2 4.48Å; L110-F112 PolarHBondContact O-N 3.44Å; F112-E114 VanDerWaalsContact C-N 3.34Å; F112-E114 WeakPolarHBondContact O-CA 3.44Å; F112-E114 PolarHBondContact O-N 3.5Å
113	S	29.2	Very low	33.7	Very low	85 Å²	85	110 Å²	110	59%	0.594	57%	0.571	S	S	*	*			trans	-33.9	104.1	162.7	40.2	0	0	0	0	108.4	N111 L115	N111-S113 PolarHBondContact O-N 3.29Å; S113-L115 PolarHBondContact O-N 3.29Å
114	E	33.6	Very low	34.2	Very low	159 Å²	159	112.9 Å²	112.9	74%	0.743	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	16.4	-169.9	-70.3	-174.1	142	0	0	112.6	F112 Q119	F112-E114 VanDerWaalsContact C-N 3.34Å; F112-E114 WeakPolarHBondContact O-CA 3.44Å; F112-E114 PolarHBondContact O-N 3.5Å; E114-Q119 WeakPolarHBondContact O-CG 3.41Å; E114-Q119 PolarHBondContact O-NE2 2.7Å
115	L	33.6	Very low	34.8	Very low	116 Å²	116	110.6 Å²	110.6	61%	0.607	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.6	-10.9	-160.8	-81.5	113.5	0	0	0	116.8	S113 Q119	S113-L115 PolarHBondContact O-N 3.29Å; L115-Q119 VanDerWaalsContact CA-CD 3.46Å; L115-Q119 VanDerWaalsContact CA-OE1 3.24Å; L115-Q119 WeakPolarHBondContact O-CB 3.16Å
116	S	33	Very low	35	Very low	68 Å²	68	103.8 Å²	103.8	48%	0.476	54%	0.538	S	S	.	.	S	Bend	trans	-105.7	-37.8	-168.2	70	0	0	0	0	116.8	K120	S116-K120 WeakPolarHBondContact O-CD 3.3Å; S116-K120 WeakPolarHBondContact O-CE 3.27Å; S116-K120 WeakPolarHBondContact O-CG 3.33Å
117	Y	35.2	Very low	35.7	Very low	121 Å²	121	103.9 Å²	103.9	48%	0.475	53%	0.529	S	S	.	.	S	Bend	trans	-100.2	-66.5	-178.5	-154.4	-103.9	0	0	0	110.4	Q119 K120 Y121 F197	Y117-Q119 VanDerWaalsContact C-N 3.32Å; Y117-Q119 PolarHBondContact O-N 2.95Å; Y117-K120 PolarHBondContact O-N 3.2Å; Y117-Y121 AromaticContact CD1-CD2 3.95Å; Y117-Y121 HydrophobicContact CD1-CD2 3.95Å; Y117-Y121 AromaticContact CD1-CE2 3.38Å; Y117-Y121 HydrophobicContact CD1-CE2 3.38Å; Y117-Y121 AromaticContact CD2-CE2 3.74Å; Y117-Y121 HydrophobicContact CD2-CE2 3.74Å; Y117-Y121 HydrophobicContact CE1-CD2 4.07Å; Y117-Y121 AromaticContact CE1-CE2 3.25Å; Y117-Y121 HydrophobicContact CE1-CE2 3.25Å; Y117-Y121 AromaticContact CE1-CZ 3.87Å; Y117-Y121 AromaticContact CE2-CE2 3.64Å; Y117-Y121 HydrophobicContact CE2-CE2 3.64Å; Y117-Y121 AromaticContact CE2-CZ 3.87Å; Y117-Y121 WeakPolarHBondContact CE2-OH 3.19Å; Y117-Y121 HydrophobicContact CG-CD2 4.33Å; Y117-Y121 AromaticContact CG-CE2 3.62Å; Y117-Y121 HydrophobicContact CG-CE2 3.62Å; Y117-Y121 AromaticContact CZ-CE2 3.4Å; Y117-Y121 AromaticContact CZ-CZ 3.59Å; Y117-Y121 WeakPolarHBondContact O-CD2 3.36Å; Y117-Y121 WeakPolarHBondContact O-CE2 3.34Å; Y117-Y121 PolarHBondContact O-N 2.94Å; Y117-Y121 PolarHBondContact OH-OH 3.4Å; Y117-Y121 VanDerWaalsContact OH-OH 3.05Å; Y117-F197 HydrophobicContact CE1-CZ 4.26Å
118	S	36.2	Very low	36.6	Very low	82 Å²	82	100.2 Å²	100.2	57%	0.573	50%	0.502	S	S	*	.	H	α-helix	trans	-58.4	-36.7	-179.9	-51.7	0	0	0	0	114.2	Y121 D122	S118-Y121 PolarHBondContact O-N 2.95Å; S118-D122 WeakPolarHBondContact O-CB 3.42Å; S118-D122 PolarHBondContact O-N 3.41Å
119	Q	37.8	Very low	37.6	Very low	68 Å²	68	100.8 Å²	100.8	32%	0.318	51%	0.514	S	S	.	.	H	α-helix	trans	-71.9	-30.5	175.7	-76.9	-173.8	6.7	0	0	113.7	E114 L115 Y117 Y121 N123	E114-Q119 WeakPolarHBondContact O-CG 3.41Å; E114-Q119 PolarHBondContact O-NE2 2.7Å; L115-Q119 VanDerWaalsContact CA-CD 3.46Å; L115-Q119 VanDerWaalsContact CA-OE1 3.24Å; L115-Q119 WeakPolarHBondContact O-CB 3.16Å; Y117-Q119 VanDerWaalsContact C-N 3.32Å; Y117-Q119 PolarHBondContact O-N 2.95Å; Q119-Y121 VanDerWaalsContact C-N 3.33Å; Q119-N123 WeakPolarHBondContact O-CB 3.47Å; Q119-N123 PolarHBondContact O-N 3.18Å; Q119-N123 VanDerWaalsContact O-N 3.08Å; Q119-N123 PolarHBondContact O-ND2 3.45Å; Q119-N123 VanDerWaalsContact O-ND2 3.15Å; Q119-N123 PolarHBondContact O-OD1 3.02Å
120	K	34	Very low	38.7	Very low	142 Å²	142	95.5 Å²	95.5	62%	0.617	50%	0.502	S	S	*	.	H	α-helix	trans	-66.3	-37.6	173	-76.5	-174.2	-173.2	-177.9	0	111.5	S116 Y117	S116-K120 WeakPolarHBondContact O-CD 3.3Å; S116-K120 WeakPolarHBondContact O-CE 3.27Å; S116-K120 WeakPolarHBondContact O-CG 3.33Å; Y117-K120 PolarHBondContact O-N 3.2Å
121	Y	39.7	Very low	39.9	Very low	77 Å²	77	101.6 Å²	101.6	30%	0.302	53%	0.525	S	S	.	.	H	α-helix	trans	-75.6	-36	177.9	-64	-70.4	0	0	0	113.3	Y117 S118 Q119 H172	Y117-Y121 AromaticContact CD1-CD2 3.95Å; Y117-Y121 HydrophobicContact CD1-CD2 3.95Å; Y117-Y121 AromaticContact CD1-CE2 3.38Å; Y117-Y121 HydrophobicContact CD1-CE2 3.38Å; Y117-Y121 AromaticContact CD2-CE2 3.74Å; Y117-Y121 HydrophobicContact CD2-CE2 3.74Å; Y117-Y121 HydrophobicContact CE1-CD2 4.07Å; Y117-Y121 AromaticContact CE1-CE2 3.25Å; Y117-Y121 HydrophobicContact CE1-CE2 3.25Å; Y117-Y121 AromaticContact CE1-CZ 3.87Å; Y117-Y121 AromaticContact CE2-CE2 3.64Å; Y117-Y121 HydrophobicContact CE2-CE2 3.64Å; Y117-Y121 AromaticContact CE2-CZ 3.87Å; Y117-Y121 WeakPolarHBondContact CE2-OH 3.19Å; Y117-Y121 HydrophobicContact CG-CD2 4.33Å; Y117-Y121 AromaticContact CG-CE2 3.62Å; Y117-Y121 HydrophobicContact CG-CE2 3.62Å; Y117-Y121 AromaticContact CZ-CE2 3.4Å; Y117-Y121 AromaticContact CZ-CZ 3.59Å; Y117-Y121 WeakPolarHBondContact O-CD2 3.36Å; Y117-Y121 WeakPolarHBondContact O-CE2 3.34Å; Y117-Y121 PolarHBondContact O-N 2.94Å; Y117-Y121 PolarHBondContact OH-OH 3.4Å; Y117-Y121 VanDerWaalsContact OH-OH 3.05Å; S118-Y121 PolarHBondContact O-N 2.95Å; Q119-Y121 VanDerWaalsContact C-N 3.33Å; Y121-H172 AromaticContact CD1-CD2 3.73Å; Y121-H172 AromaticContact CD1-NE2 3.81Å
122	D	40.5	Very low	41.7	Very low	57 Å²	57	95.4 Å²	95.4	31%	0.305	50%	0.496	S	S	.	.	H	α-helix	trans	-68.7	-39.2	178	-87.4	-0.7	0	0	0	112.5	S118 E124 C126 R133	S118-D122 WeakPolarHBondContact O-CB 3.42Å; S118-D122 PolarHBondContact O-N 3.41Å; D122-E124 VanDerWaalsContact C-N 3.32Å; D122-E124 PolarHBondContact O-N 3.22Å; D122-C126 VanDerWaalsContact O-CB 3.3Å; D122-C126 WeakPolarHBondContact O-CB 3.42Å; D122-C126 PolarHBondContact O-N 2.99Å; D122-R133 IonicContact OD1-CZ 3.39Å; D122-R133 IonicContact OD1-NH1 2.81Å; D122-R133 PolarHBondContact OD1-NH1 3.29Å; D122-R133 IonicContact OD1-NH2 2.99Å; D122-R133 IonicContact OD2-CZ 3.29Å; D122-R133 IonicContact OD2-NH1 2.61Å; D122-R133 PolarHBondContact OD2-NH1 3.25Å; D122-R133 IonicContact OD2-NH2 3.28Å; D122-R133 PolarHBondContact OD2-NH2 2.97Å
123	N	41.2	Very low	43.4	Very low	130 Å²	130	91.6 Å²	91.6	70%	0.695	48%	0.478	S	S	*	.	H	α-helix	trans	-64.8	-33.4	-173.4	-72.3	-10.5	0	0	0	113.4	Q119	Q119-N123 WeakPolarHBondContact O-CB 3.47Å; Q119-N123 PolarHBondContact O-N 3.18Å; Q119-N123 VanDerWaalsContact O-N 3.08Å; Q119-N123 PolarHBondContact O-ND2 3.45Å; Q119-N123 VanDerWaalsContact O-ND2 3.15Å; Q119-N123 PolarHBondContact O-OD1 3.02Å
124	E	43.7	Very low	45.9	Very low	168 Å²	168	94 Å²	94	79%	0.785	48%	0.48	S	S	*	.	H	α-helix	trans	-92.7	-24.3	-176.5	-59.8	-171.7	-179	0	0	113.4	D122	D122-E124 VanDerWaalsContact C-N 3.32Å; D122-E124 PolarHBondContact O-N 3.22Å
125	N	46.9	Very low	48.6	Very low	39 Å²	39	90.3 Å²	90.3	21%	0.209	46%	0.459	C	S	.	.	H	α-helix	trans	-113.5	-21.5	-172.9	-71.9	-79.7	0	0	0	115.2	I127 H172 R220	N125-I127 PolarHBondContact O-N 2.98Å; N125-H172 PolarHBondContact ND2-CD2 3.39Å; N125-R220 PolarHBondContact O-NH1 2.83Å; N125-R220 VanDerWaalsContact O-NH1 3.14Å; N125-R220 PolarHBondContact O-NH2 3.15Å
126	C	45.4	Very low	51.3	Low	36 Å²	36	85.1 Å²	85.1	24%	0.243	43%	0.432	C	S	.	.			trans	-93.6	78.8	-179.9	-73.9	0	0	0	0	111.9	D122 I128 R133	D122-C126 VanDerWaalsContact O-CB 3.3Å; D122-C126 WeakPolarHBondContact O-CB 3.42Å; D122-C126 PolarHBondContact O-N 2.99Å; C126-I128 PolarHBondContact O-N 3.41Å; C126-R133 PolarHBondContact SG-NE 3.19Å
127	I	48.2	Very low	53.8	Low	113 Å²	113	83 Å²	83	58%	0.579	42%	0.416	S	S	*	.			trans	-63.5	-13.7	156.3	-60.3	173.3	0	0	0	110.2	N125	N125-I127 PolarHBondContact O-N 2.98Å
128	I	49.5	Very low	56.4	Low	8 Å²	8	81.4 Å²	81.4	4%	0.041	41%	0.413	C	S	.	.	S	Bend	trans	-95.1	126.6	-175.7	-41.6	-175.2	0	0	0	111.5	C126 S130 P170 Q227 E228	C126-I128 PolarHBondContact O-N 3.41Å; I128-S130 PolarHBondContact O-N 3.23Å; I128-P170 HydrophobicContact CD1-CB 4.4Å; I128-P170 HydrophobicContact CD1-CG 3.9Å; I128-Q227 HydrophobicContact CD1-CB 4.49Å; I128-Q227 WeakPolarHBondContact CD1-O 3.26Å; I128-Q227 HydrophobicContact CG1-CB 4.26Å; I128-E228 HydrophobicContact CD1-CG 4.19Å
129	P	49.3	Very low	58.9	Low	88 Å²	88	79.1 Å²	79.1	57%	0.571	39%	0.394	S	S	*	.			trans	-51.6	137.8	170.2	-25.1	33.4	0	0	0	112.3	K131 G132	P129-K131 PolarHBondContact O-N 3.4Å; P129-G132 PolarHBondContact O-N 2.88Å
130	S	51.3	Low	61.5	Low	89 Å²	89	76.2 Å²	76.2	62%	0.622	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.7	-35.9	-179.7	169.6	0	0	0	0	114	I128 G132	I128-S130 PolarHBondContact O-N 3.23Å; S130-G132 VanDerWaalsContact C-N 3.29Å; S130-G132 PolarHBondContact O-N 3.43Å
131	K	53.1	Low	64.2	Low	206 Å²	206	76.7 Å²	76.7	90%	0.896	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-19.8	179.6	-68.8	-174.9	178.8	179.4	0	114.9	P129	P129-K131 PolarHBondContact O-N 3.4Å
132	G	63	Low	66.7	Low	18 Å²	18	80.2 Å²	80.2	19%	0.186	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-16.9	-178.7	0	0	0	0	0	114.7	P129 S130 H134 Y135	P129-G132 PolarHBondContact O-N 2.88Å; S130-G132 VanDerWaalsContact C-N 3.29Å; S130-G132 PolarHBondContact O-N 3.43Å; G132-H134 PolarHBondContact O-N 3.04Å; G132-Y135 WeakPolarHBondContact O-CB 3.46Å; G132-Y135 PolarHBondContact O-N 2.74Å
133	R	67.8	Low	69.2	Low	54 Å²	54	81.4 Å²	81.4	20%	0.204	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.9	-168.8	-65.2	-173.9	-167.7	175.3	1.9	115.1	D122 C126 T137	D122-R133 IonicContact OD1-CZ 3.39Å; D122-R133 IonicContact OD1-NH1 2.81Å; D122-R133 PolarHBondContact OD1-NH1 3.29Å; D122-R133 IonicContact OD1-NH2 2.99Å; D122-R133 IonicContact OD2-CZ 3.29Å; D122-R133 IonicContact OD2-NH1 2.61Å; D122-R133 PolarHBondContact OD2-NH1 3.25Å; D122-R133 IonicContact OD2-NH2 3.28Å; D122-R133 PolarHBondContact OD2-NH2 2.97Å; C126-R133 PolarHBondContact SG-NE 3.19Å; R133-T137 WeakPolarHBondContact O-CG2 3.42Å
134	H	81.5	Confident	71.4	Confident	136 Å²	136	78.7 Å²	78.7	63%	0.63	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	2.8	-178.5	-57.9	-54.4	0	0	0	113.3	G132 K136 T137	G132-H134 PolarHBondContact O-N 3.04Å; H134-K136 PolarHBondContact O-N 2.74Å; H134-K136 VanDerWaalsContact O-N 3.14Å; H134-T137 WeakPolarHBondContact CA-OG1 3.02Å; H134-T137 PolarHBondContact O-N 3.05Å; H134-T137 PolarHBondContact O-OG1 2.87Å
135	Y	89.3	Confident	73.6	Confident	80 Å²	80	77 Å²	77	31%	0.314	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	117.6	-179.4	-177.6	-105.1	0	0	0	109.7	G132 T137 Q158 R167	G132-Y135 WeakPolarHBondContact O-CB 3.46Å; G132-Y135 PolarHBondContact O-N 2.74Å; Y135-T137 PolarHBondContact O-N 3.26Å; Y135-T137 VanDerWaalsContact O-N 3.11Å; Y135-Q158 HydrophobicContact CD2-CB 4.3Å; Y135-Q158 HydrophobicContact CD2-CG 4.33Å; Y135-R167 WeakPolarHBondContact O-CD 3.49Å
136	K	91	Very high	75.5	Confident	8 Å²	8	76.8 Å²	76.8	4%	0.035	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	27.6	-178.9	-56.9	-152.3	178.7	-98.7	0	114.6	H134 E138 C157 Q158 F159 A160 E165 R167	H134-K136 PolarHBondContact O-N 2.74Å; H134-K136 VanDerWaalsContact O-N 3.14Å; K136-E138 VanDerWaalsContact C-N 3.32Å; K136-C157 WeakPolarHBondContact CE-O 3.37Å; K136-C157 PolarHBondContact NZ-O 3.34Å; K136-C157 VanDerWaalsContact NZ-O 3.08Å; K136-Q158 WeakPolarHBondContact CA-O 3.27Å; K136-Q158 PolarHBondContact N-O 3.5Å; K136-F159 PolarHBondContact NZ-O 3.39Å; K136-A160 HydrophobicContact CB-CB 4.14Å; K136-E165 VanDerWaalsContact CB-O 3.27Å; K136-E165 WeakPolarHBondContact CB-O 2.91Å; K136-E165 HydrophobicContact CD-CB 3.73Å; K136-E165 HydrophobicContact CD-CG 4.41Å; K136-E165 WeakPolarHBondContact CE-OE2 3.23Å; K136-E165 IonicContact NZ-OE1 3.89Å; K136-E165 IonicContact NZ-OE2 3.73Å; K136-E165 PolarHBondContact NZ-OE2 2.86Å; K136-R167 HydrophobicContact CB-CG 4.32Å; K136-R167 PolarHBondContact O-N 3.24Å
137	T	85.9	Confident	77.5	Confident	23 Å²	23	80.7 Å²	80.7	14%	0.141	41%	0.408	C	S	.	.	S	Bend	trans	-83	-11	175	60.8	0	0	0	0	113.8	R133 H134 Y135 R167 A169	R133-T137 WeakPolarHBondContact O-CG2 3.42Å; H134-T137 WeakPolarHBondContact CA-OG1 3.02Å; H134-T137 PolarHBondContact O-N 3.05Å; H134-T137 PolarHBondContact O-OG1 2.87Å; Y135-T137 PolarHBondContact O-N 3.26Å; Y135-T137 VanDerWaalsContact O-N 3.11Å; T137-R167 WeakPolarHBondContact CA-O 3.44Å; T137-R167 HydrophobicContact CG2-CB 4.47Å; T137-A169 HydrophobicContact CG2-CB 3.97Å
138	E	88.4	Confident	79.4	Confident	88 Å²	88	82.1 Å²	82.1	41%	0.411	42%	0.416	S	S	.	.	S	Bend	trans	-132.4	151	177.6	-67.5	-178.2	-165.5	0	0	109.7	K136 F159 A160	K136-E138 VanDerWaalsContact C-N 3.32Å; E138-F159 HydrophobicContact CB-CD1 3.92Å; E138-F159 HydrophobicContact CB-CE1 4.22Å; E138-F159 WeakPolarHBondContact O-CA 3.45Å; E138-F159 WeakPolarHBondContact O-CB 3.34Å; E138-A160 PolarHBondContact O-N 2.82Å
139	L	89	Confident	81.1	Confident	34 Å²	34	83 Å²	83	18%	0.178	43%	0.428	C	S	.	.	B	Isolated β-bridge	trans	-71.5	142.1	177.7	-69.4	168.4	0	0	0	111.5	K141 A160 L166 Y253	L139-K141 PolarHBondContact O-N 3.08Å; L139-A160 CarbonylContact C-O 3.6Å; L139-A160 WeakPolarHBondContact CA-O 3.2Å; L139-A160 HydrophobicContact CD2-CB 4.22Å; L139-L166 HydrophobicContact CD2-CD1 4.24Å; L139-L166 HydrophobicContact CD2-CD2 4.36Å; L139-L166 HydrophobicContact CG-CD1 4.22Å; L139-L166 HydrophobicContact CG-CD2 4.43Å; L139-Y253 HydrophobicContact CD1-CD1 4.27Å; L139-Y253 HydrophobicContact CD1-CE1 3.67Å; L139-Y253 HydrophobicContact CD2-CE1 4.44Å
140	C	93.3	Very high	83.1	Confident	7 Å²	7	83.9 Å²	83.9	5%	0.047	43%	0.428	C	S	.	.			trans	-77.5	105	179.2	-174.4	0	0	0	0	110.2	R142 Y143 L144 F159 A160	C140-R142 VanDerWaalsContact C-N 3.25Å; C140-R142 PolarHBondContact O-N 3.1Å; C140-Y143 PolarHBondContact O-N 3.05Å; C140-L144 WeakPolarHBondContact O-CB 3.04Å; C140-L144 PolarHBondContact O-N 3.39Å; C140-F159 HydrophobicContact CB-CB 3.52Å; C140-A160 WeakPolarHBondContact CB-O 3.34Å; C140-A160 PolarHBondContact N-O 2.9Å
141	K	91.3	Very high	85.2	Confident	151 Å²	151	79.9 Å²	79.9	66%	0.657	40%	0.4	S	S	*	.	H	α-helix	trans	-57	-37.8	177.6	-62.2	-174.3	179.8	-173.9	0	113.1	L139 L144 N145	L139-K141 PolarHBondContact O-N 3.08Å; K141-L144 PolarHBondContact O-N 3.47Å; K141-N145 VanDerWaalsContact O-CB 3.25Å; K141-N145 WeakPolarHBondContact O-CB 3.06Å; K141-N145 PolarHBondContact O-N 3.46Å; K141-N145 PolarHBondContact O-ND2 3.49Å; K141-N145 PolarHBondContact O-OD1 3.46Å
142	R	91.2	Very high	87.1	Confident	152 Å²	152	74 Å²	74	57%	0.574	39%	0.385	S	S	*	.	H	α-helix	trans	-65.3	-45.2	179.8	-177.4	179.2	-69.1	-100.7	0.7	111.5	C140 S146	C140-R142 VanDerWaalsContact C-N 3.25Å; C140-R142 PolarHBondContact O-N 3.1Å; R142-S146 WeakPolarHBondContact O-CB 2.93Å; R142-S146 PolarHBondContact O-N 2.95Å
143	Y	92.4	Very high	88.7	Confident	82 Å²	82	80.5 Å²	80.5	32%	0.322	40%	0.404	S	S	.	.	H	α-helix	trans	-64	-45.8	176.3	-174.7	-87.9	0	0	0	110.8	C140 N145 S146 G149 C151 H161	C140-Y143 PolarHBondContact O-N 3.05Å; Y143-N145 VanDerWaalsContact C-N 3.35Å; Y143-N145 PolarHBondContact O-N 2.85Å; Y143-S146 WeakPolarHBondContact O-CB 3.38Å; Y143-S146 PolarHBondContact O-N 3.01Å; Y143-G149 WeakPolarHBondContact CD2-O 3.31Å; Y143-G149 VanDerWaalsContact CE2-C 3.47Å; Y143-G149 WeakPolarHBondContact CE2-O 3.09Å; Y143-C151 HydrophobicContact CD2-CB 4.02Å; Y143-H161 VanDerWaalsContact CB-CD2 3.42Å; Y143-H161 WeakPolarHBondContact CB-CD2 3.24Å; Y143-H161 HydrophobicContact CD1-CB 3.77Å; Y143-H161 WeakPolarHBondContact CD1-O 3.47Å; Y143-H161 HydrophobicContact CD2-CB 3.74Å; Y143-H161 AromaticContact CD2-CD2 3.53Å; Y143-H161 AromaticContact CD2-CE1 3.99Å; Y143-H161 AromaticContact CD2-CG 3.42Å; Y143-H161 VanDerWaalsContact CD2-CG 3.42Å; Y143-H161 AromaticContact CD2-ND1 3.75Å; Y143-H161 AromaticContact CD2-NE2 3.92Å; Y143-H161 HydrophobicContact CE1-CB 3.85Å; Y143-H161 WeakPolarHBondContact CE1-O 3.25Å; Y143-H161 HydrophobicContact CE2-CB 3.78Å; Y143-H161 AromaticContact CE2-CG 3.82Å; Y143-H161 AromaticContact CE2-ND1 3.97Å; Y143-H161 HydrophobicContact CG-CB 3.73Å; Y143-H161 AromaticContact CG-CD2 3.5Å; Y143-H161 VanDerWaalsContact CG-CD2 3.5Å; Y143-H161 AromaticContact CG-CG 3.65Å
144	L	88.1	Confident	89.8	Confident	72 Å²	72	79.4 Å²	79.4	38%	0.377	41%	0.41	S	S	.	.	H	α-helix	trans	-62.1	-40.2	180	-177	59	0	0	0	112.8	C140 K141 S146 Y253	C140-L144 WeakPolarHBondContact O-CB 3.04Å; C140-L144 PolarHBondContact O-N 3.39Å; K141-L144 PolarHBondContact O-N 3.47Å; L144-S146 VanDerWaalsContact C-N 3.27Å; L144-S146 PolarHBondContact O-N 3.08Å; L144-Y253 HydrophobicContact CD1-CD1 3.53Å; L144-Y253 HydrophobicContact CD1-CE1 3.41Å; L144-Y253 VanDerWaalsContact CD1-CE1 3.41Å; L144-Y253 HydrophobicContact CD1-CG 4.5Å; L144-Y253 HydrophobicContact CD2-CD1 3.88Å; L144-Y253 HydrophobicContact CD2-CE1 3.99Å; L144-Y253 HydrophobicContact CG-CD1 4.37Å; L144-Y253 HydrophobicContact CG-CE1 4.3Å
145	N	89	Confident	90.3	Very high	133 Å²	133	79.9 Å²	79.9	71%	0.711	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-4.3	-179.7	-63.5	-2.7	0	0	0	113	K141 Y143	K141-N145 VanDerWaalsContact O-CB 3.25Å; K141-N145 WeakPolarHBondContact O-CB 3.06Å; K141-N145 PolarHBondContact O-N 3.46Å; K141-N145 PolarHBondContact O-ND2 3.49Å; K141-N145 PolarHBondContact O-OD1 3.46Å; Y143-N145 VanDerWaalsContact C-N 3.35Å; Y143-N145 PolarHBondContact O-N 2.85Å
146	S	87.9	Confident	90.5	Very high	34 Å²	34	85 Å²	85	24%	0.238	44%	0.441	C	S	.	.			trans	-87.7	120.2	178.1	-177	0	0	0	0	109.3	R142 Y143 L144 N148 G149 D150	R142-S146 WeakPolarHBondContact O-CB 2.93Å; R142-S146 PolarHBondContact O-N 2.95Å; Y143-S146 WeakPolarHBondContact O-CB 3.38Å; Y143-S146 PolarHBondContact O-N 3.01Å; L144-S146 VanDerWaalsContact C-N 3.27Å; L144-S146 PolarHBondContact O-N 3.08Å; S146-N148 PolarHBondContact O-N 3.47Å; S146-N148 VanDerWaalsContact O-N 3.08Å; S146-G149 PolarHBondContact O-N 3.19Å; S146-D150 VanDerWaalsContact CB-O 3.23Å; S146-D150 WeakPolarHBondContact CB-O 3.38Å; S146-D150 PolarHBondContact OG-N 3.2Å; S146-D150 PolarHBondContact OG-O 3.44Å
147	S	86.7	Confident	90.7	Very high	119 Å²	119	84.7 Å²	84.7	83%	0.832	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-28.1	177.8	58.5	0	0	0	0	113.1
148	N	87.8	Confident	91.1	Very high	142 Å²	142	90 Å²	90	76%	0.759	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	5.4	-176.2	-59.2	3.4	0	0	0	112.2	S146	S146-N148 PolarHBondContact O-N 3.47Å; S146-N148 VanDerWaalsContact O-N 3.08Å
149	G	85.2	Confident	91.3	Very high	27 Å²	27	90 Å²	90	28%	0.278	46%	0.462	S	S	.	.			trans	61.6	42.6	-173.1	0	0	0	0	0	112.3	Y143 S146	Y143-G149 WeakPolarHBondContact CD2-O 3.31Å; Y143-G149 VanDerWaalsContact CE2-C 3.47Å; Y143-G149 WeakPolarHBondContact CE2-O 3.09Å; S146-G149 PolarHBondContact O-N 3.19Å
150	D	91	Very high	91.5	Very high	107 Å²	107	88.5 Å²	88.5	57%	0.572	45%	0.454	S	S	*	.			trans	-103.3	140	177.8	-172.3	28.4	0	0	0	112.4	S146	S146-D150 VanDerWaalsContact CB-O 3.23Å; S146-D150 WeakPolarHBondContact CB-O 3.38Å; S146-D150 PolarHBondContact OG-N 3.2Å; S146-D150 PolarHBondContact OG-O 3.44Å
151	C	95.5	Very high	91.4	Very high	5 Å²	5	89.2 Å²	89.2	3%	0.034	46%	0.457	C	S	.	.			trans	-135.9	125	175.2	177.2	0	0	0	0	108.9	Y143 Y153 G154 H161	Y143-C151 HydrophobicContact CD2-CB 4.02Å; C151-Y153 PolarHBondContact O-N 2.89Å; C151-G154 PolarHBondContact O-N 3.44Å; C151-H161 VanDerWaalsContact CB-NE2 3.28Å; C151-H161 WeakPolarHBondContact CB-NE2 3.41Å; C151-H161 PolarHBondContact SG-NE2 3.29Å
152	S	94.4	Very high	91.2	Very high	83 Å²	83	82.8 Å²	82.8	58%	0.58	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-18.1	-179.8	57.8	0	0	0	0	114.8
153	Y	95.1	Very high	90.9	Very high	153 Å²	153	76 Å²	76	60%	0.6	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-11.6	176.3	-61.1	-77.8	0	0	0	113.5	C151 K156 C157	C151-Y153 PolarHBondContact O-N 2.89Å; Y153-K156 WeakPolarHBondContact O-CB 3.48Å; Y153-K156 PolarHBondContact O-N 3.2Å; Y153-K156 VanDerWaalsContact O-N 3.07Å; Y153-C157 PolarHBondContact O-N 3.41Å
154	G	92.8	Very high	90.6	Very high	31 Å²	31	75.5 Å²	75.5	32%	0.32	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	48	-138.2	-175.9	0	0	0	0	0	112.5	C151 K156 C157 H161	C151-G154 PolarHBondContact O-N 3.44Å; G154-K156 PolarHBondContact O-N 2.93Å; G154-K156 VanDerWaalsContact O-N 3.08Å; G154-C157 VanDerWaalsContact O-CB 3.26Å; G154-C157 WeakPolarHBondContact O-CB 3.46Å; G154-C157 PolarHBondContact O-N 3.27Å; G154-H161 PolarHBondContact O-CE1 3.22Å
155	N	91.9	Very high	90.6	Very high	146 Å²	146	74.9 Å²	74.9	78%	0.781	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-65	-14.1	-179.8	-62.2	-14	0	0	0	114	C157	N155-C157 VanDerWaalsContact C-N 3.27Å
156	K	93.1	Very high	90.6	Very high	188 Å²	188	69.5 Å²	69.5	82%	0.817	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-84.6	-0.7	174.8	-61.3	-177.7	-179.1	178	0	112.6	Y153 G154 Q158	Y153-K156 WeakPolarHBondContact O-CB 3.48Å; Y153-K156 PolarHBondContact O-N 3.2Å; Y153-K156 VanDerWaalsContact O-N 3.07Å; G154-K156 PolarHBondContact O-N 2.93Å; G154-K156 VanDerWaalsContact O-N 3.08Å; K156-Q158 PolarHBondContact O-N 2.91Å
157	C	95	Very high	90.6	Very high	2 Å²	2	71.1 Å²	71.1	1%	0.014	38%	0.378	C	S	.	.			trans	-58	127.3	177.1	-165.7	0	0	0	0	110.4	K136 Y153 G154 N155 F159 H161	K136-C157 WeakPolarHBondContact CE-O 3.37Å; K136-C157 PolarHBondContact NZ-O 3.34Å; K136-C157 VanDerWaalsContact NZ-O 3.08Å; Y153-C157 PolarHBondContact O-N 3.41Å; G154-C157 VanDerWaalsContact O-CB 3.26Å; G154-C157 WeakPolarHBondContact O-CB 3.46Å; G154-C157 PolarHBondContact O-N 3.27Å; N155-C157 VanDerWaalsContact C-N 3.27Å; C157-F159 PolarHBondContact O-N 3.32Å; C157-F159 PolarHBondContact SG-N 3.02Å; C157-H161 VanDerWaalsContact CB-NE2 3.28Å; C157-H161 WeakPolarHBondContact CB-NE2 3.36Å
158	Q	93.3	Very high	90.3	Very high	133 Å²	133	66.6 Å²	66.6	62%	0.621	34%	0.344	S	S	*	.	S	Bend	trans	-76.1	-6	176	-66.3	-174.2	-26.5	0	0	112.8	Y135 K136 K156	Y135-Q158 HydrophobicContact CD2-CB 4.3Å; Y135-Q158 HydrophobicContact CD2-CG 4.33Å; K136-Q158 WeakPolarHBondContact CA-O 3.27Å; K136-Q158 PolarHBondContact N-O 3.5Å; K156-Q158 PolarHBondContact O-N 2.91Å
159	F	93.6	Very high	89.7	Confident	90 Å²	90	60.7 Å²	60.7	40%	0.395	32%	0.315	S	S	.	.	S	Bend	trans	-105.2	157.5	174.9	-62.2	-85.8	0	0	0	110	K136 E138 C140 C157	K136-F159 PolarHBondContact NZ-O 3.39Å; E138-F159 HydrophobicContact CB-CD1 3.92Å; E138-F159 HydrophobicContact CB-CE1 4.22Å; E138-F159 WeakPolarHBondContact O-CA 3.45Å; E138-F159 WeakPolarHBondContact O-CB 3.34Å; C140-F159 HydrophobicContact CB-CB 3.52Å; C157-F159 PolarHBondContact O-N 3.32Å; C157-F159 PolarHBondContact SG-N 3.02Å
160	A	92	Very high	89.1	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.008	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-78.3	127.5	178.6	0	0	0	0	0	111.2	K136 E138 L139 C140 E165 L166	K136-A160 HydrophobicContact CB-CB 4.14Å; E138-A160 PolarHBondContact O-N 2.82Å; L139-A160 CarbonylContact C-O 3.6Å; L139-A160 WeakPolarHBondContact CA-O 3.2Å; L139-A160 HydrophobicContact CD2-CB 4.22Å; C140-A160 WeakPolarHBondContact CB-O 3.34Å; C140-A160 PolarHBondContact N-O 2.9Å; A160-E165 HydrophobicContact CB-CB 3.97Å; A160-L166 HydrophobicContact CB-CB 3.95Å; A160-L166 HydrophobicContact CB-CD1 3.86Å
161	H	92.4	Very high	88.5	Confident	23 Å²	23	59.4 Å²	59.4	11%	0.106	30%	0.297	C	S	.	.	S	Bend	trans	-80.1	-7.7	173.1	-66.6	163.4	0	0	0	112.8	Y143 C151 G154 C157 E165	Y143-H161 VanDerWaalsContact CB-CD2 3.42Å; Y143-H161 WeakPolarHBondContact CB-CD2 3.24Å; Y143-H161 HydrophobicContact CD1-CB 3.77Å; Y143-H161 WeakPolarHBondContact CD1-O 3.47Å; Y143-H161 HydrophobicContact CD2-CB 3.74Å; Y143-H161 AromaticContact CD2-CD2 3.53Å; Y143-H161 AromaticContact CD2-CE1 3.99Å; Y143-H161 AromaticContact CD2-CG 3.42Å; Y143-H161 VanDerWaalsContact CD2-CG 3.42Å; Y143-H161 AromaticContact CD2-ND1 3.75Å; Y143-H161 AromaticContact CD2-NE2 3.92Å; Y143-H161 HydrophobicContact CE1-CB 3.85Å; Y143-H161 WeakPolarHBondContact CE1-O 3.25Å; Y143-H161 HydrophobicContact CE2-CB 3.78Å; Y143-H161 AromaticContact CE2-CG 3.82Å; Y143-H161 AromaticContact CE2-ND1 3.97Å; Y143-H161 HydrophobicContact CG-CB 3.73Å; Y143-H161 AromaticContact CG-CD2 3.5Å; Y143-H161 VanDerWaalsContact CG-CD2 3.5Å; Y143-H161 AromaticContact CG-CG 3.65Å; C151-H161 VanDerWaalsContact CB-NE2 3.28Å; C151-H161 WeakPolarHBondContact CB-NE2 3.41Å; C151-H161 PolarHBondContact SG-NE2 3.29Å; G154-H161 PolarHBondContact O-CE1 3.22Å; C157-H161 VanDerWaalsContact CB-NE2 3.28Å; C157-H161 WeakPolarHBondContact CB-NE2 3.36Å; H161-E165 WeakPolarHBondContact CB-OE2 3.39Å; H161-E165 IonicContact CG-OE2 3.01Å; H161-E165 PolarHBondContact N-OE2 3.08Å
162	G	87.3	Confident	87.8	Confident	16 Å²	16	61.7 Å²	61.7	17%	0.165	31%	0.308	C	S	.	.	S	Bend	trans	-175.2	180	174.5	0	0	0	0	0	111	N164 E165 L166	G162-N164 PolarHBondContact O-N 3.49Å; G162-E165 PolarHBondContact O-N 3.46Å; G162-L166 PolarHBondContact O-N 3.5Å
163	I	84.6	Confident	87.2	Confident	10 Å²	10	60.4 Å²	60.4	5%	0.051	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-34.4	-179.2	-69.5	161.9	0	0	0	112.4	E165 L166 L231 I232 L245 L248 L252	I163-E165 PolarHBondContact O-N 3.08Å; I163-L166 PolarHBondContact O-N 2.88Å; I163-L166 VanDerWaalsContact O-N 3.09Å; I163-L231 HydrophobicContact CG2-CD2 4.16Å; I163-I232 HydrophobicContact CG2-CG2 3.61Å; I163-L245 HydrophobicContact CG2-CD2 4.24Å; I163-L248 HydrophobicContact CD1-CB 3.9Å; I163-L252 HydrophobicContact CD1-CD1 4.06Å; I163-L252 HydrophobicContact CG1-CD1 3.81Å
164	N	85	Confident	86.7	Confident	70 Å²	70	59.9 Å²	59.9	37%	0.374	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.9	178.2	-62.7	-9.9	0	0	0	113.1	G162 R230	G162-N164 PolarHBondContact O-N 3.49Å; N164-R230 WeakPolarHBondContact O-CD 3.01Å
165	E	89.8	Confident	86.3	Confident	59 Å²	59	59.7 Å²	59.7	28%	0.276	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-13.3	175.3	-60	-169.2	153.4	0	0	112.9	K136 A160 H161 G162 I163 R167	K136-E165 VanDerWaalsContact CB-O 3.27Å; K136-E165 WeakPolarHBondContact CB-O 2.91Å; K136-E165 HydrophobicContact CD-CB 3.73Å; K136-E165 HydrophobicContact CD-CG 4.41Å; K136-E165 WeakPolarHBondContact CE-OE2 3.23Å; K136-E165 IonicContact NZ-OE1 3.89Å; K136-E165 IonicContact NZ-OE2 3.73Å; K136-E165 PolarHBondContact NZ-OE2 2.86Å; A160-E165 HydrophobicContact CB-CB 3.97Å; H161-E165 WeakPolarHBondContact CB-OE2 3.39Å; H161-E165 IonicContact CG-OE2 3.01Å; H161-E165 PolarHBondContact N-OE2 3.08Å; G162-E165 PolarHBondContact O-N 3.46Å; I163-E165 PolarHBondContact O-N 3.08Å; E165-R167 PolarHBondContact O-N 3.45Å
166	L	89.1	Confident	86	Confident	20 Å²	20	52.8 Å²	52.8	11%	0.105	25%	0.247	C	C	.	.			trans	-72.8	122.8	-173.2	-172.5	66.1	0	0	0	110.7	L139 A160 G162 I163 R230 L231 L252	L139-L166 HydrophobicContact CD2-CD1 4.24Å; L139-L166 HydrophobicContact CD2-CD2 4.36Å; L139-L166 HydrophobicContact CG-CD1 4.22Å; L139-L166 HydrophobicContact CG-CD2 4.43Å; A160-L166 HydrophobicContact CB-CB 3.95Å; A160-L166 HydrophobicContact CB-CD1 3.86Å; G162-L166 PolarHBondContact O-N 3.5Å; I163-L166 PolarHBondContact O-N 2.88Å; I163-L166 VanDerWaalsContact O-N 3.09Å; L166-R230 WeakPolarHBondContact O-CA 3.45Å; L166-L231 HydrophobicContact CD2-CD2 4.18Å; L166-L231 PolarHBondContact O-N 3.21Å; L166-L252 HydrophobicContact CD2-CD1 4.09Å
167	R	87.6	Confident	85.4	Confident	68 Å²	68	45.4 Å²	45.4	26%	0.257	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-106.7	149.7	-176.9	-65.1	176.8	-174.8	-108	5.6	111.4	Y135 K136 T137 E165 A169 E228 V229 R230	Y135-R167 WeakPolarHBondContact O-CD 3.49Å; K136-R167 HydrophobicContact CB-CG 4.32Å; K136-R167 PolarHBondContact O-N 3.24Å; T137-R167 WeakPolarHBondContact CA-O 3.44Å; T137-R167 HydrophobicContact CG2-CB 4.47Å; E165-R167 PolarHBondContact O-N 3.45Å; R167-A169 PolarHBondContact O-N 3.09Å; R167-E228 WeakPolarHBondContact CD-OE2 3.45Å; R167-E228 IonicContact CZ-OE2 2.7Å; R167-E228 IonicContact NE-OE2 3.74Å; R167-E228 IonicContact NH1-OE2 3.5Å; R167-E228 PolarHBondContact NH1-OE2 3.26Å; R167-V229 WeakPolarHBondContact CA-O 3.33Å; R167-R230 HydrophobicContact CG-CG 4.14Å
168	F	79.8	Confident	84.9	Confident	24 Å²	24	48.7 Å²	48.7	11%	0.105	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-72.1	124	168	-86.5	-67	0	0	0	111.2	Q212 F216 V229 L231 L234	F168-Q212 HydrophobicContact CD1-CG 4.18Å; F168-Q212 HydrophobicContact CE1-CG 3.28Å; F168-Q212 HydrophobicContact CZ-CG 3.59Å; F168-Q212 VanDerWaalsContact CZ-NE2 3.35Å; F168-F216 HydrophobicContact CB-CD2 3.79Å; F168-F216 HydrophobicContact CB-CE2 3.84Å; F168-F216 HydrophobicContact CG-CD2 4.3Å; F168-V229 PolarHBondContact N-O 3.04Å; F168-L231 HydrophobicContact CE1-CD1 4.37Å; F168-L231 HydrophobicContact CE2-CB 4.13Å; F168-L231 HydrophobicContact CE2-CD1 3.38Å; F168-L231 HydrophobicContact CE2-CG 4.35Å; F168-L231 HydrophobicContact CZ-CD1 3.26Å; F168-L231 HydrophobicContact CZ-CG 4.5Å; F168-L234 HydrophobicContact CD2-CB 3.9Å; F168-L234 HydrophobicContact CD2-CD2 3.51Å; F168-L234 HydrophobicContact CD2-CG 4.28Å; F168-L234 HydrophobicContact CE1-CD2 4.35Å; F168-L234 HydrophobicContact CE2-CB 3.62Å; F168-L234 HydrophobicContact CE2-CD2 3.11Å; F168-L234 HydrophobicContact CE2-CG 3.95Å; F168-L234 HydrophobicContact CG-CD2 4.19Å; F168-L234 HydrophobicContact CZ-CD2 3.6Å
169	A	76.2	Confident	84.3	Confident	18 Å²	18	45 Å²	45	15%	0.149	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-65.6	126.5	165	0	0	0	0	0	108.3	T137 R167 R171	T137-A169 HydrophobicContact CG2-CB 3.97Å; R167-A169 PolarHBondContact O-N 3.09Å; A169-R171 WeakPolarHBondContact O-CG 3.35Å; A169-R171 PolarHBondContact O-N 3.24Å; A169-R171 VanDerWaalsContact O-N 3.11Å
170	P	71	Confident	83.8	Confident	30 Å²	30	41 Å²	41	20%	0.195	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-60.4	120.2	173.3	26.4	-34.8	0	0	0	109.4	I128 F216	I128-P170 HydrophobicContact CD1-CB 4.4Å; I128-P170 HydrophobicContact CD1-CG 3.9Å; P170-F216 HydrophobicContact CB-CE1 4.04Å; P170-F216 HydrophobicContact CB-CZ 3.96Å
171	R	79.7	Confident	83.3	Confident	78 Å²	78	46.6 Å²	46.6	29%	0.294	22%	0.222	S	C	.	.			trans	-112.9	148.5	176.4	-61.7	-57.3	179.5	171.4	-4.6	110.3	A169 Y175 D196	A169-R171 WeakPolarHBondContact O-CG 3.35Å; A169-R171 PolarHBondContact O-N 3.24Å; A169-R171 VanDerWaalsContact O-N 3.11Å; R171-Y175 HydrophobicContact CB-CD1 4.35Å; R171-Y175 HydrophobicContact CB-CG 4.03Å; R171-Y175 HydrophobicContact CG-CD1 4.09Å; R171-Y175 HydrophobicContact CG-CD2 4.37Å; R171-Y175 HydrophobicContact CG-CE1 4.47Å; R171-Y175 HydrophobicContact CG-CG 4.05Å; R171-D196 IonicContact NH1-OD1 3.81Å; R171-D196 PolarHBondContact NH1-OD1 2.97Å
172	H	81.1	Confident	82.5	Confident	53 Å²	53	47.9 Å²	47.9	25%	0.245	23%	0.233	C	C	.	.			trans	-65.9	150.2	171.1	-175.5	-92.2	0	0	0	110.2	Y121 N125 R174 Y175 N213	Y121-H172 AromaticContact CD1-CD2 3.73Å; Y121-H172 AromaticContact CD1-NE2 3.81Å; N125-H172 PolarHBondContact ND2-CD2 3.39Å; H172-R174 WeakPolarHBondContact ND1-CB 3.4Å; H172-R174 PolarHBondContact ND1-N 3.43Å; H172-R174 PolarHBondContact O-N 2.96Å; H172-Y175 VanDerWaalsContact O-CB 3.29Å; H172-Y175 WeakPolarHBondContact O-CB 3.32Å; H172-Y175 PolarHBondContact O-N 3.47Å; H172-N213 PolarHBondContact O-ND2 2.68Å
173	P	80.8	Confident	82.2	Confident	55 Å²	55	49.6 Å²	49.6	36%	0.357	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-26.1	175.3	-28.9	34.3	0	0	0	116.8	Q217	P173-Q217 VanDerWaalsContact CA-NE2 3.29Å; P173-Q217 HydrophobicContact CG-CG 4.36Å
174	R	83.8	Confident	81.9	Confident	142 Å²	142	53.1 Å²	53.1	54%	0.536	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	12.6	178.3	-60.8	172.8	77.4	157	4.5	114.3	H172 K176 T177 E178	H172-R174 WeakPolarHBondContact ND1-CB 3.4Å; H172-R174 PolarHBondContact ND1-N 3.43Å; H172-R174 PolarHBondContact O-N 2.96Å; R174-K176 PolarHBondContact O-N 2.9Å; R174-T177 WeakPolarHBondContact CA-OG1 3.33Å; R174-T177 HydrophobicContact CB-CG2 4.47Å; R174-T177 WeakPolarHBondContact CB-OG1 3.33Å; R174-T177 PolarHBondContact O-N 3.2Å; R174-T177 PolarHBondContact O-OG1 2.92Å; R174-E178 IonicContact CZ-OE1 3.17Å; R174-E178 VanDerWaalsContact CZ-OE1 3.29Å; R174-E178 IonicContact NE-OE1 2.93Å; R174-E178 PolarHBondContact NE-OE1 3.27Å; R174-E178 IonicContact NH2-OE1 3.71Å; R174-E178 PolarHBondContact NH2-OE1 2.88Å
175	Y	85.7	Confident	81.5	Confident	27 Å²	27	52.3 Å²	52.3	11%	0.106	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	126.6	174.1	178.7	-106.2	0	0	0	110.4	R171 H172 T177 D196 I209	R171-Y175 HydrophobicContact CB-CD1 4.35Å; R171-Y175 HydrophobicContact CB-CG 4.03Å; R171-Y175 HydrophobicContact CG-CD1 4.09Å; R171-Y175 HydrophobicContact CG-CD2 4.37Å; R171-Y175 HydrophobicContact CG-CE1 4.47Å; R171-Y175 HydrophobicContact CG-CG 4.05Å; H172-Y175 VanDerWaalsContact O-CB 3.29Å; H172-Y175 WeakPolarHBondContact O-CB 3.32Å; H172-Y175 PolarHBondContact O-N 3.47Å; Y175-T177 PolarHBondContact O-N 2.93Å; Y175-D196 HydrophobicContact CD2-CB 3.94Å; Y175-D196 WeakPolarHBondContact CD2-OD1 3.32Å; Y175-D196 HydrophobicContact CE2-CB 4.28Å; Y175-D196 VanDerWaalsContact CE2-OD1 3.25Å; Y175-D196 WeakPolarHBondContact CE2-OD1 3.48Å; Y175-I209 HydrophobicContact CD1-CG2 3.55Å; Y175-I209 HydrophobicContact CE1-CG2 3.49Å; Y175-I209 VanDerWaalsContact CE1-CG2 3.49Å
176	K	85.2	Confident	81.1	Confident	1 Å²	1	55.8 Å²	55.8	0%	0.004	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	36.1	-176.5	-60.9	-73.9	-174.9	177.7	0	113	R174 C195 D196 F197 I198 E201 L206 I209	R174-K176 PolarHBondContact O-N 2.9Å; K176-C195 WeakPolarHBondContact CE-O 3.46Å; K176-C195 PolarHBondContact NZ-O 3.25Å; K176-D196 WeakPolarHBondContact CA-O 3.39Å; K176-D196 PolarHBondContact N-O 2.87Å; K176-F197 WeakPolarHBondContact CD-O 3.37Å; K176-F197 WeakPolarHBondContact CE-O 3.08Å; K176-F197 PolarHBondContact NZ-O 3.23Å; K176-I198 HydrophobicContact CB-CG1 4.2Å; K176-I198 HydrophobicContact CD-CG1 4.47Å; K176-I198 WeakPolarHBondContact O-CD1 3.36Å; K176-I198 WeakPolarHBondContact O-CG1 3.34Å; K176-E201 WeakPolarHBondContact CE-OE1 3.47Å; K176-E201 IonicContact NZ-OE1 3.71Å; K176-E201 PolarHBondContact NZ-OE1 3.05Å; K176-E201 IonicContact NZ-OE2 2.68Å; K176-L206 HydrophobicContact CB-CD2 4.17Å; K176-I209 HydrophobicContact CB-CG2 4.05Å; K176-I209 HydrophobicContact CG-CD1 4.47Å; K176-I209 HydrophobicContact CG-CG2 4.12Å
177	T	80.3	Confident	80.6	Confident	34 Å²	34	57.2 Å²	57.2	21%	0.209	28%	0.283	C	S	.	.	S	Bend	trans	-98.2	-17.4	170.9	64.4	0	0	0	0	113.7	R174 Y175	R174-T177 WeakPolarHBondContact CA-OG1 3.33Å; R174-T177 HydrophobicContact CB-CG2 4.47Å; R174-T177 WeakPolarHBondContact CB-OG1 3.33Å; R174-T177 PolarHBondContact O-N 3.2Å; R174-T177 PolarHBondContact O-OG1 2.92Å; Y175-T177 PolarHBondContact O-N 2.93Å
178	E	84.1	Confident	80.2	Confident	70 Å²	70	58.4 Å²	58.4	33%	0.327	30%	0.298	S	S	.	.	S	Bend	trans	-127.9	152.1	-177.3	-74.4	168.3	-152.8	0	0	110.4	R174 F197 I198	R174-E178 IonicContact CZ-OE1 3.17Å; R174-E178 VanDerWaalsContact CZ-OE1 3.29Å; R174-E178 IonicContact NE-OE1 2.93Å; R174-E178 PolarHBondContact NE-OE1 3.27Å; R174-E178 IonicContact NH2-OE1 3.71Å; R174-E178 PolarHBondContact NH2-OE1 2.88Å; E178-F197 HydrophobicContact CB-CD1 3.82Å; E178-F197 HydrophobicContact CB-CE1 4.17Å; E178-F197 CarbonylContact O-C 3.36Å; E178-F197 VanDerWaalsContact O-CA 3.24Å; E178-F197 WeakPolarHBondContact O-CA 3.45Å; E178-F197 WeakPolarHBondContact O-CB 2.84Å; E178-I198 WeakPolarHBondContact O-CG1 3.4Å; E178-I198 PolarHBondContact O-N 2.82Å
179	I	80.8	Confident	80.3	Confident	56 Å²	56	58.1 Å²	58.1	29%	0.287	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-74.6	146.3	-177.8	61.6	116.6	0	0	0	112.5	Y49 Y181 I198	Y49-I179 WeakPolarHBondContact OH-CD1 3.34Å; Y49-I179 WeakPolarHBondContact OH-CG1 3.36Å; Y49-I179 WeakPolarHBondContact OH-CG2 3.22Å; I179-Y181 PolarHBondContact O-N 3.16Å; I179-I198 HydrophobicContact CG2-CB 4.49Å
180	C	83.3	Confident	80.8	Confident	5 Å²	5	65.2 Å²	65.2	3%	0.034	33%	0.334	C	S	.	.			trans	-81.7	105.6	175	-178	0	0	0	0	109.6	S182 Y183 H184 C189 C195 F197 I198 H199	C180-S182 VanDerWaalsContact C-N 3.31Å; C180-S182 PolarHBondContact O-N 3.28Å; C180-Y183 PolarHBondContact O-N 2.61Å; C180-Y183 PolarHBondContact SG-N 3.04Å; C180-Y183 VanDerWaalsContact SG-N 3.44Å; C180-H184 PolarHBondContact O-CD2 3.38Å; C180-H184 VanDerWaalsContact O-CD2 3.27Å; C180-H184 PolarHBondContact O-N 2.87Å; C180-H184 VanDerWaalsContact O-N 3.09Å; C180-C189 VanDerWaalsContact SG-SG 3.64Å; C180-C195 VanDerWaalsContact SG-SG 3.69Å; C180-F197 HydrophobicContact CB-CB 3.63Å; C180-I198 WeakPolarHBondContact CB-O 3.42Å; C180-I198 PolarHBondContact N-O 3.05Å; C180-H199 WeakPolarHBondContact CB-CD2 3.1Å; C180-H199 PolarHBondContact SG-NE2 3.11Å
181	Y	82.6	Confident	81.4	Confident	120 Å²	120	71.6 Å²	71.6	47%	0.471	36%	0.355	S	S	.	.	H	α-helix	trans	-52.6	-49.1	176.9	179.4	-93.7	0	0	0	112.2	I179 Y183 H184 V185 F186	I179-Y181 PolarHBondContact O-N 3.16Å; Y181-Y183 PolarHBondContact O-N 2.76Å; Y181-H184 PolarHBondContact O-N 3.5Å; Y181-V185 HydrophobicContact CD1-CG2 4.29Å; Y181-V185 HydrophobicContact CD2-CG2 3.84Å; Y181-V185 HydrophobicContact CE1-CB 4.2Å; Y181-V185 HydrophobicContact CE1-CG1 4.38Å; Y181-V185 HydrophobicContact CE1-CG2 3.98Å; Y181-V185 HydrophobicContact CE2-CG2 3.51Å; Y181-V185 HydrophobicContact CG-CG2 4.22Å; Y181-V185 WeakPolarHBondContact O-CB 2.96Å; Y181-V185 WeakPolarHBondContact O-CG2 3.14Å; Y181-V185 PolarHBondContact O-N 3.21Å; Y181-F186 HydrophobicContact CE1-CE2 4.31Å
182	S	75.3	Confident	81.7	Confident	49 Å²	49	69.2 Å²	69.2	34%	0.343	36%	0.355	S	S	.	.	H	α-helix	trans	-59.7	-45.3	-177.5	-56.8	0	0	0	0	112.7	C180 F186 T188	C180-S182 VanDerWaalsContact C-N 3.31Å; C180-S182 PolarHBondContact O-N 3.28Å; S182-F186 WeakPolarHBondContact O-CB 3.25Å; S182-F186 WeakPolarHBondContact O-CD2 3.21Å; S182-F186 PolarHBondContact O-N 2.82Å; S182-T188 CarbonylContact C-O 3.56Å
183	Y	80.9	Confident	81.9	Confident	53 Å²	53	74.8 Å²	74.8	21%	0.208	38%	0.379	C	S	.	.	H	α-helix	trans	-62.4	-46.6	178.3	178.6	-91.6	0	0	0	111.7	C180 Y181 G187 T188 H199 D200	C180-Y183 PolarHBondContact O-N 2.61Å; C180-Y183 PolarHBondContact SG-N 3.04Å; C180-Y183 VanDerWaalsContact SG-N 3.44Å; Y181-Y183 PolarHBondContact O-N 2.76Å; Y183-G187 CarbonylContact O-C 3.56Å; Y183-G187 WeakPolarHBondContact O-CA 3.44Å; Y183-G187 PolarHBondContact O-N 2.84Å; Y183-T188 WeakPolarHBondContact CA-O 3.19Å; Y183-T188 PolarHBondContact N-O 3.05Å; Y183-H199 HydrophobicContact CD1-CB 3.75Å; Y183-H199 HydrophobicContact CD2-CB 3.96Å; Y183-H199 AromaticContact CD2-CG 3.65Å; Y183-H199 AromaticContact CD2-ND1 3.53Å; Y183-H199 HydrophobicContact CE1-CB 3.9Å; Y183-H199 HydrophobicContact CE2-CB 4.08Å; Y183-H199 HydrophobicContact CG-CB 3.79Å; Y183-H199 AromaticContact CG-CD2 3.78Å; Y183-H199 AromaticContact CG-CG 3.55Å; Y183-H199 AromaticContact CG-ND1 3.9Å; Y183-D200 HydrophobicContact CE1-CB 4.03Å; Y183-D200 VanDerWaalsContact OH-CB 3.26Å; Y183-D200 WeakPolarHBondContact OH-CB 3.29Å; Y183-D200 PolarHBondContact OH-OD2 3.36Å
184	H	77.8	Confident	82.1	Confident	83 Å²	83	80.3 Å²	80.3	38%	0.384	39%	0.392	S	S	.	.	H	α-helix	trans	-75.7	-28.4	-175.4	-76	-79.1	0	0	0	113.5	C180 Y181 I198 H199	C180-H184 PolarHBondContact O-CD2 3.38Å; C180-H184 VanDerWaalsContact O-CD2 3.27Å; C180-H184 PolarHBondContact O-N 2.87Å; C180-H184 VanDerWaalsContact O-N 3.09Å; Y181-H184 PolarHBondContact O-N 3.5Å; H184-I198 PolarHBondContact NE2-O 3.38Å; H184-H199 PolarHBondContact CE1-O 2.77Å; H184-H199 PolarHBondContact NE2-O 3.37Å; H184-H199 VanDerWaalsContact NE2-O 3.09Å
185	V	77.3	Confident	82.1	Confident	53 Å²	53	73.7 Å²	73.7	32%	0.321	37%	0.368	S	S	.	.	H	α-helix	trans	-88.2	-41.7	178.9	174.4	0	0	0	0	112.7	Y181	Y181-V185 HydrophobicContact CD1-CG2 4.29Å; Y181-V185 HydrophobicContact CD2-CG2 3.84Å; Y181-V185 HydrophobicContact CE1-CB 4.2Å; Y181-V185 HydrophobicContact CE1-CG1 4.38Å; Y181-V185 HydrophobicContact CE1-CG2 3.98Å; Y181-V185 HydrophobicContact CE2-CG2 3.51Å; Y181-V185 HydrophobicContact CG-CG2 4.22Å; Y181-V185 WeakPolarHBondContact O-CB 2.96Å; Y181-V185 WeakPolarHBondContact O-CG2 3.14Å; Y181-V185 PolarHBondContact O-N 3.21Å
186	F	80.5	Confident	82.2	Confident	132 Å²	132	76.4 Å²	76.4	58%	0.579	38%	0.384	S	S	*	.	H	α-helix	trans	-103.2	-0.2	-175.8	-52.9	-66.6	0	0	0	113.4	Y181 S182 T188	Y181-F186 HydrophobicContact CE1-CE2 4.31Å; S182-F186 WeakPolarHBondContact O-CB 3.25Å; S182-F186 WeakPolarHBondContact O-CD2 3.21Å; S182-F186 PolarHBondContact O-N 2.82Å; F186-T188 PolarHBondContact O-N 3.23Å; F186-T188 VanDerWaalsContact O-N 3.14Å
187	G	79.7	Confident	82.3	Confident	51 Å²	51	79.4 Å²	79.4	53%	0.526	40%	0.397	S	S	.	.	S	Bend	trans	70.1	-0.9	-173.3	0	0	0	0	0	114.1	Y183	Y183-G187 CarbonylContact O-C 3.56Å; Y183-G187 WeakPolarHBondContact O-CA 3.44Å; Y183-G187 PolarHBondContact O-N 2.84Å
188	T	78.3	Confident	82.5	Confident	93 Å²	93	78.4 Å²	78.4	57%	0.571	39%	0.391	S	S	*	.			trans	-147.3	152.7	-173.6	60.8	0	0	0	0	111.6	S182 Y183 F186	S182-T188 CarbonylContact C-O 3.56Å; Y183-T188 WeakPolarHBondContact CA-O 3.19Å; Y183-T188 PolarHBondContact N-O 3.05Å; F186-T188 PolarHBondContact O-N 3.23Å; F186-T188 VanDerWaalsContact O-N 3.14Å
189	C	82.4	Confident	82.6	Confident	18 Å²	18	75.9 Å²	75.9	12%	0.122	38%	0.378	C	S	.	.			trans	-137.7	127.8	178.3	169.7	0	0	0	0	110.1	C180 Y191 G192 H199	C180-C189 VanDerWaalsContact SG-SG 3.64Å; C189-Y191 PolarHBondContact O-N 2.88Å; C189-Y191 VanDerWaalsContact O-N 3.12Å; C189-Y191 PolarHBondContact SG-N 3.28Å; C189-G192 PolarHBondContact O-N 3.12Å; C189-H199 VanDerWaalsContact CB-CE1 3.42Å; C189-H199 WeakPolarHBondContact CB-CE1 3.35Å; C189-H199 PolarHBondContact SG-NE2 2.96Å
190	N	86.7	Confident	82.7	Confident	167 Å²	167	78.7 Å²	78.7	89%	0.893	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.6	-178.5	-65.1	-13.6	0	0	0	113.2
191	Y	83.4	Confident	82.8	Confident	163 Å²	163	79.7 Å²	79.7	64%	0.639	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-15.5	175	-57.1	-74	0	0	0	113.1	C189 K193 R194	C189-Y191 PolarHBondContact O-N 2.88Å; C189-Y191 VanDerWaalsContact O-N 3.12Å; C189-Y191 PolarHBondContact SG-N 3.28Å; Y191-K193 PolarHBondContact O-N 2.99Å; Y191-R194 WeakPolarHBondContact O-CB 3.43Å; Y191-R194 PolarHBondContact O-N 2.9Å; Y191-R194 VanDerWaalsContact O-N 3.08Å
192	G	85.6	Confident	82.7	Confident	29 Å²	29	77.6 Å²	77.6	30%	0.299	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	51.7	-136.1	179.8	0	0	0	0	0	112.8	C189 R194 C195 H199	C189-G192 PolarHBondContact O-N 3.12Å; G192-R194 PolarHBondContact O-N 3.21Å; G192-R194 VanDerWaalsContact O-N 3.1Å; G192-C195 VanDerWaalsContact O-CB 3.31Å; G192-C195 WeakPolarHBondContact O-CB 3.5Å; G192-C195 PolarHBondContact O-N 3.08Å; G192-H199 PolarHBondContact O-CE1 3.37Å
193	K	85.2	Confident	82.7	Confident	169 Å²	169	77 Å²	77	74%	0.735	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-61.8	-17.4	179.3	-61.1	-176.7	-179.3	-177.3	0	113.7	Y191	Y191-K193 PolarHBondContact O-N 2.99Å
194	R	84.5	Confident	82.5	Confident	172 Å²	172	80.5 Å²	80.5	65%	0.649	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-87.9	-3.3	177.9	-63.7	-174.1	-64.9	-126	-1.3	113.4	Y191 G192 D196	Y191-R194 WeakPolarHBondContact O-CB 3.43Å; Y191-R194 PolarHBondContact O-N 2.9Å; Y191-R194 VanDerWaalsContact O-N 3.08Å; G192-R194 PolarHBondContact O-N 3.21Å; G192-R194 VanDerWaalsContact O-N 3.1Å; R194-D196 PolarHBondContact O-N 2.81Å
195	C	85.1	Confident	82.6	Confident	2 Å²	2	81.4 Å²	81.4	1%	0.014	41%	0.413	C	S	.	.			trans	-56.1	135.1	177.6	-167.2	0	0	0	0	110.4	K176 C180 G192 F197 H199	K176-C195 WeakPolarHBondContact CE-O 3.46Å; K176-C195 PolarHBondContact NZ-O 3.25Å; C180-C195 VanDerWaalsContact SG-SG 3.69Å; G192-C195 VanDerWaalsContact O-CB 3.31Å; G192-C195 WeakPolarHBondContact O-CB 3.5Å; G192-C195 PolarHBondContact O-N 3.08Å; C195-F197 PolarHBondContact O-N 3.42Å; C195-F197 PolarHBondContact SG-N 3.43Å; C195-H199 WeakPolarHBondContact CB-NE2 3.29Å; C195-H199 PolarHBondContact SG-NE2 3.05Å; C195-H199 VanDerWaalsContact SG-NE2 3.45Å
196	D	87.8	Confident	82.6	Confident	84 Å²	84	79.8 Å²	79.8	45%	0.449	40%	0.403	S	S	.	.	S	Bend	trans	-75.4	-6.8	176.3	-65.4	-40.3	0	0	0	113	R171 Y175 K176 R194	R171-D196 IonicContact NH1-OD1 3.81Å; R171-D196 PolarHBondContact NH1-OD1 2.97Å; Y175-D196 HydrophobicContact CD2-CB 3.94Å; Y175-D196 WeakPolarHBondContact CD2-OD1 3.32Å; Y175-D196 HydrophobicContact CE2-CB 4.28Å; Y175-D196 VanDerWaalsContact CE2-OD1 3.25Å; Y175-D196 WeakPolarHBondContact CE2-OD1 3.48Å; K176-D196 WeakPolarHBondContact CA-O 3.39Å; K176-D196 PolarHBondContact N-O 2.87Å; R194-D196 PolarHBondContact O-N 2.81Å
197	F	87.4	Confident	82.4	Confident	65 Å²	65	75.1 Å²	75.1	29%	0.285	38%	0.384	S	S	.	.	S	Bend	trans	-110.1	155.2	-177.9	-58.2	-80.2	0	0	0	112	Y117 K176 E178 C180 C195	Y117-F197 HydrophobicContact CE1-CZ 4.26Å; K176-F197 WeakPolarHBondContact CD-O 3.37Å; K176-F197 WeakPolarHBondContact CE-O 3.08Å; K176-F197 PolarHBondContact NZ-O 3.23Å; E178-F197 HydrophobicContact CB-CD1 3.82Å; E178-F197 HydrophobicContact CB-CE1 4.17Å; E178-F197 CarbonylContact O-C 3.36Å; E178-F197 VanDerWaalsContact O-CA 3.24Å; E178-F197 WeakPolarHBondContact O-CA 3.45Å; E178-F197 WeakPolarHBondContact O-CB 2.84Å; C180-F197 HydrophobicContact CB-CB 3.63Å; C195-F197 PolarHBondContact O-N 3.42Å; C195-F197 PolarHBondContact SG-N 3.43Å
198	I	83.3	Confident	82.3	Confident	13 Å²	13	78.3 Å²	78.3	7%	0.067	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-69.8	127.6	-174.6	-56.2	164.2	0	0	0	110	K176 E178 I179 C180 H184 L206	K176-I198 HydrophobicContact CB-CG1 4.2Å; K176-I198 HydrophobicContact CD-CG1 4.47Å; K176-I198 WeakPolarHBondContact O-CD1 3.36Å; K176-I198 WeakPolarHBondContact O-CG1 3.34Å; E178-I198 WeakPolarHBondContact O-CG1 3.4Å; E178-I198 PolarHBondContact O-N 2.82Å; I179-I198 HydrophobicContact CG2-CB 4.49Å; C180-I198 WeakPolarHBondContact CB-O 3.42Å; C180-I198 PolarHBondContact N-O 3.05Å; H184-I198 PolarHBondContact NE2-O 3.38Å; I198-L206 HydrophobicContact CG1-CD2 4.16Å; I198-L206 HydrophobicContact CG2-CD1 3.77Å; I198-L206 HydrophobicContact CG2-CD2 4.15Å
199	H	86.6	Confident	82.4	Confident	16 Å²	16	74.9 Å²	74.9	7%	0.074	37%	0.366	C	S	.	.			trans	-100.5	-115.1	171.3	-68.9	-174.2	0	0	0	108.5	C180 Y183 H184 C189 G192 C195 E201	C180-H199 WeakPolarHBondContact CB-CD2 3.1Å; C180-H199 PolarHBondContact SG-NE2 3.11Å; Y183-H199 HydrophobicContact CD1-CB 3.75Å; Y183-H199 HydrophobicContact CD2-CB 3.96Å; Y183-H199 AromaticContact CD2-CG 3.65Å; Y183-H199 AromaticContact CD2-ND1 3.53Å; Y183-H199 HydrophobicContact CE1-CB 3.9Å; Y183-H199 HydrophobicContact CE2-CB 4.08Å; Y183-H199 HydrophobicContact CG-CB 3.79Å; Y183-H199 AromaticContact CG-CD2 3.78Å; Y183-H199 AromaticContact CG-CG 3.55Å; Y183-H199 AromaticContact CG-ND1 3.9Å; H184-H199 PolarHBondContact CE1-O 2.77Å; H184-H199 PolarHBondContact NE2-O 3.37Å; H184-H199 VanDerWaalsContact NE2-O 3.09Å; C189-H199 VanDerWaalsContact CB-CE1 3.42Å; C189-H199 WeakPolarHBondContact CB-CE1 3.35Å; C189-H199 PolarHBondContact SG-NE2 2.96Å; G192-H199 PolarHBondContact O-CE1 3.37Å; C195-H199 WeakPolarHBondContact CB-NE2 3.29Å; C195-H199 PolarHBondContact SG-NE2 3.05Å; C195-H199 VanDerWaalsContact SG-NE2 3.45Å; H199-E201 PolarHBondContact N-OE2 2.82Å
200	D	83.8	Confident	82.2	Confident	115 Å²	115	75 Å²	75	62%	0.615	36%	0.364	S	S	*	.	S	Bend	trans	-111.6	18.8	-179.5	59.5	-13.4	0	0	0	112.3	Y183	Y183-D200 HydrophobicContact CE1-CB 4.03Å; Y183-D200 VanDerWaalsContact OH-CB 3.26Å; Y183-D200 WeakPolarHBondContact OH-CB 3.29Å; Y183-D200 PolarHBondContact OH-OD2 3.36Å
201	E	84.6	Confident	81.7	Confident	27 Å²	27	69.3 Å²	69.3	13%	0.126	33%	0.333	C	S	.	.			trans	-60.5	137.4	177.4	-64.7	93.8	165	0	0	111.5	K176 H199 K205 L206	K176-E201 WeakPolarHBondContact CE-OE1 3.47Å; K176-E201 IonicContact NZ-OE1 3.71Å; K176-E201 PolarHBondContact NZ-OE1 3.05Å; K176-E201 IonicContact NZ-OE2 2.68Å; H199-E201 PolarHBondContact N-OE2 2.82Å; E201-K205 HydrophobicContact CB-CD 4.15Å; E201-K205 HydrophobicContact CG-CD 4.11Å; E201-L206 HydrophobicContact CB-CD2 3.96Å; E201-L206 HydrophobicContact CB-CG 4.09Å
202	P	80.3	Confident	81.4	Confident	76 Å²	76	65.5 Å²	65.5	49%	0.494	32%	0.321	S	S	.	.			trans	-62.3	152.5	176.9	25.7	-33.2	0	0	0	110.7	E204 K205 L206	P202-E204 VanDerWaalsContact C-N 3.27Å; P202-E204 PolarHBondContact O-N 2.83Å; P202-K205 HydrophobicContact CG-CB 3.81Å; P202-K205 WeakPolarHBondContact O-CA 3.49Å; P202-K205 WeakPolarHBondContact O-CB 3.39Å; P202-K205 PolarHBondContact O-N 3.13Å; P202-L206 PolarHBondContact O-N 2.97Å; P202-L206 VanDerWaalsContact O-N 3.1Å
203	L	75.7	Confident	81.2	Confident	36 Å²	36	64.6 Å²	64.6	19%	0.188	31%	0.31	C	S	.	.	H	α-helix	trans	-57.1	-42.8	-175.2	-178.1	65.1	0	0	0	111.7	L37 T41 K205 L206 I207	L37-L203 HydrophobicContact CD2-CD1 3.71Å; L37-L203 HydrophobicContact CD2-CG 4.2Å; T41-L203 WeakPolarHBondContact OG1-CD2 3.25Å; L203-K205 PolarHBondContact O-N 3.39Å; L203-L206 PolarHBondContact O-N 3.01Å; L203-I207 HydrophobicContact CG-CD1 4.15Å; L203-I207 VanDerWaalsContact O-CG1 3.24Å; L203-I207 WeakPolarHBondContact O-CG1 3.31Å; L203-I207 PolarHBondContact O-N 2.95Å
204	E	77.7	Confident	81	Confident	126 Å²	126	60.7 Å²	60.7	59%	0.589	29%	0.294	S	S	*	.	H	α-helix	trans	-55.2	-38.3	176.7	-62.2	74.1	-160.2	0	0	111.6	P202 I207 L208	P202-E204 VanDerWaalsContact C-N 3.27Å; P202-E204 PolarHBondContact O-N 2.83Å; E204-I207 WeakPolarHBondContact O-CB 3.29Å; E204-L208 VanDerWaalsContact O-CG 3.3Å; E204-L208 WeakPolarHBondContact O-CG 3.31Å; E204-L208 PolarHBondContact O-N 3.26Å
205	K	78.5	Confident	80.7	Confident	103 Å²	103	54.4 Å²	54.4	45%	0.448	27%	0.273	S	S	.	.	H	α-helix	trans	-72.4	-41.5	176.7	-177.8	174.7	178.3	-177.1	0	111.8	E201 P202 L203 I207 L208 I209	E201-K205 HydrophobicContact CB-CD 4.15Å; E201-K205 HydrophobicContact CG-CD 4.11Å; P202-K205 HydrophobicContact CG-CB 3.81Å; P202-K205 WeakPolarHBondContact O-CA 3.49Å; P202-K205 WeakPolarHBondContact O-CB 3.39Å; P202-K205 PolarHBondContact O-N 3.13Å; L203-K205 PolarHBondContact O-N 3.39Å; K205-I207 VanDerWaalsContact C-N 3.29Å; K205-I207 PolarHBondContact O-N 3.47Å; K205-L208 PolarHBondContact O-N 3.09Å; K205-I209 HydrophobicContact CG-CD1 3.99Å; K205-I209 VanDerWaalsContact O-CG1 3.27Å; K205-I209 WeakPolarHBondContact O-CG1 3.3Å; K205-I209 PolarHBondContact O-N 3.18Å
206	L	77.9	Confident	80.4	Confident	19 Å²	19	54.5 Å²	54.5	10%	0.099	27%	0.273	C	S	.	.	H	α-helix	trans	-63.3	-36.9	176.4	-65.8	174.4	0	0	0	111.8	K176 I198 E201 P202 L203 I209 R210	K176-L206 HydrophobicContact CB-CD2 4.17Å; I198-L206 HydrophobicContact CG1-CD2 4.16Å; I198-L206 HydrophobicContact CG2-CD1 3.77Å; I198-L206 HydrophobicContact CG2-CD2 4.15Å; E201-L206 HydrophobicContact CB-CD2 3.96Å; E201-L206 HydrophobicContact CB-CG 4.09Å; P202-L206 PolarHBondContact O-N 2.97Å; P202-L206 VanDerWaalsContact O-N 3.1Å; L203-L206 PolarHBondContact O-N 3.01Å; L206-I209 PolarHBondContact O-N 3.02Å; L206-R210 WeakPolarHBondContact O-CG 3.45Å; L206-R210 PolarHBondContact O-N 3.26Å
207	I	76	Confident	80.1	Confident	34 Å²	34	53.5 Å²	53.5	17%	0.174	27%	0.266	C	S	.	.	H	α-helix	trans	-55	-56	171.9	-70.3	167.9	0	0	0	110.4	L33 L37 L203 E204 K205 I209 R210 L211	L33-I207 HydrophobicContact CD2-CG2 3.94Å; L37-I207 HydrophobicContact CD1-CD1 3.29Å; L37-I207 HydrophobicContact CD1-CG1 3.42Å; L37-I207 VanDerWaalsContact CD1-CG1 3.42Å; L37-I207 HydrophobicContact CD1-CG2 4.4Å; L37-I207 HydrophobicContact CD2-CB 4.41Å; L37-I207 HydrophobicContact CD2-CD1 3.63Å; L37-I207 HydrophobicContact CD2-CG1 3.1Å; L37-I207 HydrophobicContact CG-CD1 3.94Å; L37-I207 HydrophobicContact CG-CG1 3.78Å; L203-I207 HydrophobicContact CG-CD1 4.15Å; L203-I207 VanDerWaalsContact O-CG1 3.24Å; L203-I207 WeakPolarHBondContact O-CG1 3.31Å; L203-I207 PolarHBondContact O-N 2.95Å; E204-I207 WeakPolarHBondContact O-CB 3.29Å; K205-I207 VanDerWaalsContact C-N 3.29Å; K205-I207 PolarHBondContact O-N 3.47Å; I207-I209 VanDerWaalsContact C-N 3.3Å; I207-I209 PolarHBondContact O-N 2.9Å; I207-R210 PolarHBondContact O-N 3.11Å; I207-L211 HydrophobicContact CG2-CD1 3.85Å; I207-L211 HydrophobicContact CG2-CG 4.45Å; I207-L211 WeakPolarHBondContact O-CG 3.37Å; I207-L211 PolarHBondContact O-N 3.16Å
208	L	78.2	Confident	79.7	Confident	117 Å²	117	52.1 Å²	52.1	61%	0.613	27%	0.266	S	S	*	.	H	α-helix	trans	-61.5	-41.5	-177.4	-68.1	172.7	0	0	0	111.1	E204 K205 R210 L211 Q212	E204-L208 VanDerWaalsContact O-CG 3.3Å; E204-L208 WeakPolarHBondContact O-CG 3.31Å; E204-L208 PolarHBondContact O-N 3.26Å; K205-L208 PolarHBondContact O-N 3.09Å; L208-R210 PolarHBondContact O-N 3.07Å; L208-L211 PolarHBondContact O-N 2.78Å; L208-Q212 WeakPolarHBondContact O-CB 3.37Å; L208-Q212 PolarHBondContact O-N 3.42Å
209	I	79.7	Confident	79.5	Confident	22 Å²	22	53.6 Å²	53.6	11%	0.113	27%	0.271	C	S	.	.	H	α-helix	trans	-58.9	-46.6	175.6	-72.6	166.7	0	0	0	111.3	Y175 K176 K205 L206 I207 N213	Y175-I209 HydrophobicContact CD1-CG2 3.55Å; Y175-I209 HydrophobicContact CE1-CG2 3.49Å; Y175-I209 VanDerWaalsContact CE1-CG2 3.49Å; K176-I209 HydrophobicContact CB-CG2 4.05Å; K176-I209 HydrophobicContact CG-CD1 4.47Å; K176-I209 HydrophobicContact CG-CG2 4.12Å; K205-I209 HydrophobicContact CG-CD1 3.99Å; K205-I209 VanDerWaalsContact O-CG1 3.27Å; K205-I209 WeakPolarHBondContact O-CG1 3.3Å; K205-I209 PolarHBondContact O-N 3.18Å; L206-I209 PolarHBondContact O-N 3.02Å; I207-I209 VanDerWaalsContact C-N 3.3Å; I207-I209 PolarHBondContact O-N 2.9Å; I209-N213 WeakPolarHBondContact O-CB 3.32Å; I209-N213 PolarHBondContact O-N 3.44Å
210	R	79	Confident	79	Confident	20 Å²	20	55 Å²	55	8%	0.075	28%	0.276	C	S	.	.	H	α-helix	trans	-67.6	-46.1	-178.9	-74.4	-178.8	179.4	-160.9	0.5	112.2	E36 Y40 L206 I207 L208 Q212 N213 Q214	E36-R210 IonicContact OE1-CZ 3.73Å; E36-R210 IonicContact OE1-NH1 2.69Å; E36-R210 PolarHBondContact OE1-NH1 3.24Å; E36-R210 IonicContact OE2-NH1 3.42Å; Y40-R210 VanDerWaalsContact CE2-NH1 3.34Å; Y40-R210 PolarHBondContact OH-NH2 3.27Å; L206-R210 WeakPolarHBondContact O-CG 3.45Å; L206-R210 PolarHBondContact O-N 3.26Å; I207-R210 PolarHBondContact O-N 3.11Å; L208-R210 PolarHBondContact O-N 3.07Å; R210-Q212 VanDerWaalsContact C-N 3.31Å; R210-Q212 PolarHBondContact O-N 2.81Å; R210-N213 PolarHBondContact O-N 3.41Å; R210-Q214 WeakPolarHBondContact O-CB 3.5Å; R210-Q214 VanDerWaalsContact O-CG 3.32Å; R210-Q214 WeakPolarHBondContact O-CG 2.94Å; R210-Q214 PolarHBondContact O-N 3.04Å
211	L	76.5	Confident	78.8	Confident	47 Å²	47	58.5 Å²	58.5	25%	0.246	29%	0.286	C	S	.	.	H	α-helix	trans	-57.5	-48	175.8	-76.4	174.4	0	0	0	110.7	L33 I207 L208 N213 Q214 L215	L33-L211 HydrophobicContact CD1-CD2 3.68Å; L33-L211 HydrophobicContact CD1-CG 4.04Å; L33-L211 HydrophobicContact CD2-CD1 3.89Å; L33-L211 HydrophobicContact CD2-CD2 3.79Å; L33-L211 HydrophobicContact CD2-CG 3.88Å; L33-L211 HydrophobicContact CG-CD2 4.36Å; I207-L211 HydrophobicContact CG2-CD1 3.85Å; I207-L211 HydrophobicContact CG2-CG 4.45Å; I207-L211 WeakPolarHBondContact O-CG 3.37Å; I207-L211 PolarHBondContact O-N 3.16Å; L208-L211 PolarHBondContact O-N 2.78Å; L211-N213 VanDerWaalsContact C-N 3.35Å; L211-N213 PolarHBondContact O-N 2.68Å; L211-Q214 PolarHBondContact O-N 3.11Å; L211-L215 VanDerWaalsContact O-CG 3.29Å; L211-L215 WeakPolarHBondContact O-CG 3.27Å; L211-L215 PolarHBondContact O-N 2.82Å
212	Q	77	Confident	78.6	Confident	83 Å²	83	60.9 Å²	60.9	39%	0.388	31%	0.305	S	S	.	.	H	α-helix	trans	-60	-43.5	177.6	-178.1	177.8	76.3	0	0	112.3	F168 L208 R210 L215 F216	F168-Q212 HydrophobicContact CD1-CG 4.18Å; F168-Q212 HydrophobicContact CE1-CG 3.28Å; F168-Q212 HydrophobicContact CZ-CG 3.59Å; F168-Q212 VanDerWaalsContact CZ-NE2 3.35Å; L208-Q212 WeakPolarHBondContact O-CB 3.37Å; L208-Q212 PolarHBondContact O-N 3.42Å; R210-Q212 VanDerWaalsContact C-N 3.31Å; R210-Q212 PolarHBondContact O-N 2.81Å; Q212-L215 PolarHBondContact O-N 3.49Å; Q212-F216 WeakPolarHBondContact O-CB 3.46Å; Q212-F216 PolarHBondContact O-N 2.71Å
213	N	81.4	Confident	78.6	Confident	11 Å²	11	61 Å²	61	6%	0.059	30%	0.299	C	S	.	.	H	α-helix	trans	-65.6	-39.4	176.9	-168.3	19.1	0	0	0	112.2	H172 I209 R210 L211 F216 Q217	H172-N213 PolarHBondContact O-ND2 2.68Å; I209-N213 WeakPolarHBondContact O-CB 3.32Å; I209-N213 PolarHBondContact O-N 3.44Å; R210-N213 PolarHBondContact O-N 3.41Å; L211-N213 VanDerWaalsContact C-N 3.35Å; L211-N213 PolarHBondContact O-N 2.68Å; N213-F216 PolarHBondContact O-N 3.14Å; N213-Q217 PolarHBondContact ND2-NE2 2.93Å; N213-Q217 VanDerWaalsContact O-CG 3.3Å; N213-Q217 WeakPolarHBondContact O-CG 3.42Å; N213-Q217 PolarHBondContact O-N 3.21Å; N213-Q217 PolarHBondContact O-NE2 2.81Å; N213-Q217 PolarHBondContact OD1-NE2 2.99Å
214	Q	79.3	Confident	78.6	Confident	87 Å²	87	63.6 Å²	63.6	41%	0.407	32%	0.318	S	S	.	.	H	α-helix	trans	-63.9	-45.1	174.6	-74.4	175.1	-10.4	0	0	111.9	R210 L211 F216 Q217 A218	R210-Q214 WeakPolarHBondContact O-CB 3.5Å; R210-Q214 VanDerWaalsContact O-CG 3.32Å; R210-Q214 WeakPolarHBondContact O-CG 2.94Å; R210-Q214 PolarHBondContact O-N 3.04Å; L211-Q214 PolarHBondContact O-N 3.11Å; Q214-F216 VanDerWaalsContact C-N 3.32Å; Q214-F216 PolarHBondContact O-N 3.27Å; Q214-Q217 PolarHBondContact O-N 3.19Å; Q214-A218 WeakPolarHBondContact O-CB 3.38Å; Q214-A218 PolarHBondContact O-N 3.08Å
215	L	78.3	Confident	78.7	Confident	40 Å²	40	66.1 Å²	66.1	21%	0.209	33%	0.329	C	S	.	.	H	α-helix	trans	-56.8	-48	174.1	-72	173.9	0	0	0	110.7	Y23 L211 Q212 Q217 A218 Y219 L234	Y23-L215 HydrophobicContact CD1-CD2 3.08Å; Y23-L215 HydrophobicContact CE1-CD2 3.48Å; Y23-L215 VanDerWaalsContact CE1-CD2 3.48Å; Y23-L215 HydrophobicContact CG-CD2 3.75Å; L211-L215 VanDerWaalsContact O-CG 3.29Å; L211-L215 WeakPolarHBondContact O-CG 3.27Å; L211-L215 PolarHBondContact O-N 2.82Å; Q212-L215 PolarHBondContact O-N 3.49Å; L215-Q217 PolarHBondContact O-N 3.37Å; L215-A218 PolarHBondContact O-N 3.4Å; L215-Y219 WeakPolarHBondContact O-CB 3.42Å; L215-Y219 PolarHBondContact O-N 2.82Å; L215-L234 HydrophobicContact CB-CD1 4.25Å; L215-L234 HydrophobicContact CB-CD2 4.1Å; L215-L234 HydrophobicContact CB-CG 4.27Å
216	F	80.6	Confident	78.4	Confident	4 Å²	4	63.5 Å²	63.5	2%	0.018	32%	0.322	C	S	.	.	H	α-helix	trans	-60.8	-42.9	179.2	178.4	-103.4	0	0	0	112.5	F168 P170 Q212 N213 Q214 Y219 R220 V229 L234	F168-F216 HydrophobicContact CB-CD2 3.79Å; F168-F216 HydrophobicContact CB-CE2 3.84Å; F168-F216 HydrophobicContact CG-CD2 4.3Å; P170-F216 HydrophobicContact CB-CE1 4.04Å; P170-F216 HydrophobicContact CB-CZ 3.96Å; Q212-F216 WeakPolarHBondContact O-CB 3.46Å; Q212-F216 PolarHBondContact O-N 2.71Å; N213-F216 PolarHBondContact O-N 3.14Å; Q214-F216 VanDerWaalsContact C-N 3.32Å; Q214-F216 PolarHBondContact O-N 3.27Å; F216-Y219 PolarHBondContact O-N 3.08Å; F216-R220 HydrophobicContact CE1-CG 4.18Å; F216-R220 HydrophobicContact CE2-CG 4.35Å; F216-R220 VanDerWaalsContact CZ-CD 3.44Å; F216-R220 HydrophobicContact CZ-CG 4.06Å; F216-R220 PolarHBondContact O-N 3.26Å; F216-V229 HydrophobicContact CD2-CB 4.46Å; F216-V229 HydrophobicContact CD2-CG2 4.28Å; F216-V229 HydrophobicContact CE2-CB 4.25Å; F216-V229 HydrophobicContact CE2-CG2 3.91Å; F216-L234 HydrophobicContact CB-CD2 4.25Å
217	Q	80.8	Confident	77.8	Confident	63 Å²	63	67.1 Å²	67.1	29%	0.294	34%	0.338	S	S	.	.	H	α-helix	trans	-64.8	-42.4	175.8	-73.1	162.5	53.8	0	0	112.5	P173 N213 Q214 L215 Y219 R220 K221	P173-Q217 VanDerWaalsContact CA-NE2 3.29Å; P173-Q217 HydrophobicContact CG-CG 4.36Å; N213-Q217 PolarHBondContact ND2-NE2 2.93Å; N213-Q217 VanDerWaalsContact O-CG 3.3Å; N213-Q217 WeakPolarHBondContact O-CG 3.42Å; N213-Q217 PolarHBondContact O-N 3.21Å; N213-Q217 PolarHBondContact O-NE2 2.81Å; N213-Q217 PolarHBondContact OD1-NE2 2.99Å; Q214-Q217 PolarHBondContact O-N 3.19Å; L215-Q217 PolarHBondContact O-N 3.37Å; Q217-Y219 VanDerWaalsContact C-N 3.32Å; Q217-Y219 PolarHBondContact O-N 2.93Å; Q217-R220 PolarHBondContact O-N 2.76Å; Q217-K221 PolarHBondContact O-N 3.24Å
218	A	79.5	Confident	77.7	Confident	36 Å²	36	67.8 Å²	67.8	30%	0.298	34%	0.341	S	S	.	.	H	α-helix	trans	-62.9	-40.3	175.9	0	0	0	0	0	111.5	Y23 Q214 L215 K221 S222	Y23-A218 HydrophobicContact CE2-CB 4.34Å; Q214-A218 WeakPolarHBondContact O-CB 3.38Å; Q214-A218 PolarHBondContact O-N 3.08Å; L215-A218 PolarHBondContact O-N 3.4Å; A218-K221 PolarHBondContact O-N 2.8Å; A218-S222 PolarHBondContact O-N 3.02Å; A218-S222 VanDerWaalsContact O-N 3.12Å; A218-S222 PolarHBondContact O-OG 3.42Å
219	Y	78.2	Confident	77.9	Confident	44 Å²	44	62.2 Å²	62.2	17%	0.173	31%	0.312	C	S	.	.	H	α-helix	trans	-62.5	-49.9	174.9	-173.7	-80.6	0	0	0	111.5	L215 F216 Q217 K221 S222 H223 V226 V229 L234	L215-Y219 WeakPolarHBondContact O-CB 3.42Å; L215-Y219 PolarHBondContact O-N 2.82Å; F216-Y219 PolarHBondContact O-N 3.08Å; Q217-Y219 VanDerWaalsContact C-N 3.32Å; Q217-Y219 PolarHBondContact O-N 2.93Å; Y219-K221 VanDerWaalsContact C-N 3.26Å; Y219-K221 PolarHBondContact O-N 3.26Å; Y219-S222 WeakPolarHBondContact CA-OG 3.49Å; Y219-S222 CarbonylContact O-C 3.44Å; Y219-S222 PolarHBondContact O-N 3.01Å; Y219-S222 VanDerWaalsContact O-N 3.09Å; Y219-S222 PolarHBondContact O-OG 3.37Å; Y219-H223 HydrophobicContact CD1-CB 4.14Å; Y219-H223 AromaticContact CD1-ND1 3.93Å; Y219-H223 AromaticContact CD2-CE1 3.98Å; Y219-H223 AromaticContact CD2-ND1 3.78Å; Y219-H223 HydrophobicContact CE1-CB 3.75Å; Y219-H223 AromaticContact CE1-CG 3.77Å; Y219-H223 AromaticContact CE1-ND1 3.85Å; Y219-H223 AromaticContact CE2-CE1 3.73Å; Y219-H223 AromaticContact CE2-ND1 3.71Å; Y219-H223 AromaticContact CG-ND1 3.9Å; Y219-H223 AromaticContact CZ-CG 3.78Å; Y219-H223 AromaticContact CZ-ND1 3.76Å; Y219-H223 WeakPolarHBondContact O-CB 3.4Å; Y219-H223 PolarHBondContact O-N 3.46Å; Y219-H223 PolarHBondContact O-ND1 2.95Å; Y219-H223 VanDerWaalsContact O-ND1 3.1Å; Y219-V226 HydrophobicContact CE1-CB 4.14Å; Y219-V226 HydrophobicContact CE1-CG1 3.87Å; Y219-V229 HydrophobicContact CD1-CB 4.37Å; Y219-V229 HydrophobicContact CD1-CG1 4.05Å; Y219-V229 HydrophobicContact CD1-CG2 3.36Å; Y219-V229 HydrophobicContact CD2-CG1 4.45Å; Y219-V229 HydrophobicContact CE1-CB 4.26Å; Y219-V229 HydrophobicContact CE1-CG1 3.87Å; Y219-V229 HydrophobicContact CE1-CG2 3.35Å; Y219-V229 HydrophobicContact CE2-CG1 4.27Å; Y219-V229 HydrophobicContact CG-CG1 4.34Å; Y219-V229 HydrophobicContact CG-CG2 4.29Å; Y219-L234 HydrophobicContact CD2-CD1 4.18Å; Y219-L234 HydrophobicContact CG-CD1 4.01Å
220	R	76.9	Confident	78.1	Confident	45 Å²	45	64.2 Å²	64.2	17%	0.17	32%	0.318	C	S	.	.	H	α-helix	trans	-59.3	-36.7	177.9	-76.4	-174.4	70.2	173.2	0.1	112.8	N125 F216 Q217 S222 H223	N125-R220 PolarHBondContact O-NH1 2.83Å; N125-R220 VanDerWaalsContact O-NH1 3.14Å; N125-R220 PolarHBondContact O-NH2 3.15Å; F216-R220 HydrophobicContact CE1-CG 4.18Å; F216-R220 HydrophobicContact CE2-CG 4.35Å; F216-R220 VanDerWaalsContact CZ-CD 3.44Å; F216-R220 HydrophobicContact CZ-CG 4.06Å; F216-R220 PolarHBondContact O-N 3.26Å; Q217-R220 PolarHBondContact O-N 2.76Å; R220-S222 VanDerWaalsContact C-N 3.35Å; R220-H223 CarbonylContact O-C 3.18Å; R220-H223 PolarHBondContact O-N 3.3Å
221	K	78.8	Confident	78	Confident	189 Å²	189	63.9 Å²	63.9	82%	0.822	32%	0.317	S	S	*	.	H	α-helix	trans	-66.8	-36.2	176.8	-171.9	176.7	180	179.5	0	112.6	Q217 A218 Y219	Q217-K221 PolarHBondContact O-N 3.24Å; A218-K221 PolarHBondContact O-N 2.8Å; Y219-K221 VanDerWaalsContact C-N 3.26Å; Y219-K221 PolarHBondContact O-N 3.26Å
222	S	79.8	Confident	78.1	Confident	76 Å²	76	61.7 Å²	61.7	53%	0.531	31%	0.306	S	S	.	.	H	α-helix	trans	-82.5	-21.9	177.3	45.7	0	0	0	0	113.3	A218 Y219 R220 P224	A218-S222 PolarHBondContact O-N 3.02Å; A218-S222 VanDerWaalsContact O-N 3.12Å; A218-S222 PolarHBondContact O-OG 3.42Å; Y219-S222 WeakPolarHBondContact CA-OG 3.49Å; Y219-S222 CarbonylContact O-C 3.44Å; Y219-S222 PolarHBondContact O-N 3.01Å; Y219-S222 VanDerWaalsContact O-N 3.09Å; Y219-S222 PolarHBondContact O-OG 3.37Å; R220-S222 VanDerWaalsContact C-N 3.35Å; S222-P224 VanDerWaalsContact C-CD 3.5Å; S222-P224 WeakPolarHBondContact O-CD 3.28Å
223	H	81.7	Confident	78.2	Confident	79 Å²	79	60.9 Å²	60.9	37%	0.366	30%	0.302	S	S	.	.			trans	-126.2	68.2	-176.9	-57.4	82.3	0	0	0	111	Y219 R220 H225 V226	Y219-H223 HydrophobicContact CD1-CB 4.14Å; Y219-H223 AromaticContact CD1-ND1 3.93Å; Y219-H223 AromaticContact CD2-CE1 3.98Å; Y219-H223 AromaticContact CD2-ND1 3.78Å; Y219-H223 HydrophobicContact CE1-CB 3.75Å; Y219-H223 AromaticContact CE1-CG 3.77Å; Y219-H223 AromaticContact CE1-ND1 3.85Å; Y219-H223 AromaticContact CE2-CE1 3.73Å; Y219-H223 AromaticContact CE2-ND1 3.71Å; Y219-H223 AromaticContact CG-ND1 3.9Å; Y219-H223 AromaticContact CZ-CG 3.78Å; Y219-H223 AromaticContact CZ-ND1 3.76Å; Y219-H223 WeakPolarHBondContact O-CB 3.4Å; Y219-H223 PolarHBondContact O-N 3.46Å; Y219-H223 PolarHBondContact O-ND1 2.95Å; Y219-H223 VanDerWaalsContact O-ND1 3.1Å; R220-H223 CarbonylContact O-C 3.18Å; R220-H223 PolarHBondContact O-N 3.3Å; H223-H225 PolarHBondContact O-N 2.87Å; H223-H225 VanDerWaalsContact O-N 3.09Å; H223-V226 HydrophobicContact CB-CB 3.97Å; H223-V226 HydrophobicContact CB-CG2 3.77Å; H223-V226 PolarHBondContact O-N 3.49Å
224	P	75.6	Confident	78	Confident	91 Å²	91	61.3 Å²	61.3	59%	0.591	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.5	-171.4	24.4	-35.1	0	0	0	114.7	S222	S222-P224 VanDerWaalsContact C-CD 3.5Å; S222-P224 WeakPolarHBondContact O-CD 3.28Å
225	H	78.2	Confident	78	Confident	178 Å²	178	60.2 Å²	60.2	82%	0.824	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-9	177.4	-61	-60.2	0	0	0	113.8	H223 Q227	H223-H225 PolarHBondContact O-N 2.87Å; H223-H225 VanDerWaalsContact O-N 3.09Å; H225-Q227 PolarHBondContact O-N 3.44Å
226	V	72.6	Confident	77.8	Confident	48 Å²	48	60 Å²	60	29%	0.291	31%	0.309	S	S	.	.			trans	-88.7	110.7	179.5	-179.6	0	0	0	0	108.8	Y219 H223 E228 V229	Y219-V226 HydrophobicContact CE1-CB 4.14Å; Y219-V226 HydrophobicContact CE1-CG1 3.87Å; H223-V226 HydrophobicContact CB-CB 3.97Å; H223-V226 HydrophobicContact CB-CG2 3.77Å; H223-V226 PolarHBondContact O-N 3.49Å; V226-E228 WeakPolarHBondContact CG1-O 3.28Å; V226-V229 HydrophobicContact CG1-CG2 4.11Å
227	Q	66	Low	77.7	Confident	95 Å²	95	61.7 Å²	61.7	44%	0.444	32%	0.318	S	S	.	.			trans	-81.4	-34.6	-179.2	-67.4	-176.7	2.8	0	0	112.1	I128 H225	I128-Q227 HydrophobicContact CD1-CB 4.49Å; I128-Q227 WeakPolarHBondContact CD1-O 3.26Å; I128-Q227 HydrophobicContact CG1-CB 4.26Å; H225-Q227 PolarHBondContact O-N 3.44Å
228	E	74.1	Confident	77.6	Confident	48 Å²	48	64.7 Å²	64.7	22%	0.224	33%	0.332	C	S	.	.			trans	-131.3	141.4	-176.5	-65	175	-178.9	0	0	109.6	I128 R167 V226	I128-E228 HydrophobicContact CD1-CG 4.19Å; R167-E228 WeakPolarHBondContact CD-OE2 3.45Å; R167-E228 IonicContact CZ-OE2 2.7Å; R167-E228 IonicContact NE-OE2 3.74Å; R167-E228 IonicContact NH1-OE2 3.5Å; R167-E228 PolarHBondContact NH1-OE2 3.26Å; V226-E228 WeakPolarHBondContact CG1-O 3.28Å
229	V	81.2	Confident	77.5	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.006	34%	0.342	C	S	.	.			trans	-124.1	127.8	-177.4	-169.7	0	0	0	0	108.4	R167 F168 F216 Y219 V226 E233 L234	R167-V229 WeakPolarHBondContact CA-O 3.33Å; F168-V229 PolarHBondContact N-O 3.04Å; F216-V229 HydrophobicContact CD2-CB 4.46Å; F216-V229 HydrophobicContact CD2-CG2 4.28Å; F216-V229 HydrophobicContact CE2-CB 4.25Å; F216-V229 HydrophobicContact CE2-CG2 3.91Å; Y219-V229 HydrophobicContact CD1-CB 4.37Å; Y219-V229 HydrophobicContact CD1-CG1 4.05Å; Y219-V229 HydrophobicContact CD1-CG2 3.36Å; Y219-V229 HydrophobicContact CD2-CG1 4.45Å; Y219-V229 HydrophobicContact CE1-CB 4.26Å; Y219-V229 HydrophobicContact CE1-CG1 3.87Å; Y219-V229 HydrophobicContact CE1-CG2 3.35Å; Y219-V229 HydrophobicContact CE2-CG1 4.27Å; Y219-V229 HydrophobicContact CG-CG1 4.34Å; Y219-V229 HydrophobicContact CG-CG2 4.29Å; V226-V229 HydrophobicContact CG1-CG2 4.11Å; V229-E233 HydrophobicContact CG1-CB 4Å; V229-L234 HydrophobicContact CG1-CB 3.9Å; V229-L234 HydrophobicContact CG1-CD1 4.33Å
230	R	84.2	Confident	77.7	Confident	63 Å²	63	72.1 Å²	72.1	24%	0.238	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-74.9	152.8	172.3	-67.5	-176.8	-73.3	173.7	6.9	110.7	N164 L166 R167 I232 E233 L234 E239	N164-R230 WeakPolarHBondContact O-CD 3.01Å; L166-R230 WeakPolarHBondContact O-CA 3.45Å; R167-R230 HydrophobicContact CG-CG 4.14Å; R230-I232 HydrophobicContact CB-CG1 4Å; R230-I232 PolarHBondContact O-N 2.88Å; R230-E233 HydrophobicContact CB-CB 4.44Å; R230-E233 HydrophobicContact CB-CG 4.15Å; R230-E233 IonicContact CZ-OE1 2.76Å; R230-E233 PolarHBondContact N-OE2 3.4Å; R230-E233 IonicContact NE-OE1 2.67Å; R230-E233 PolarHBondContact NE-OE1 3.14Å; R230-E233 IonicContact NE-OE2 3.18Å; R230-E233 IonicContact NH2-OE1 2.8Å; R230-E233 PolarHBondContact NH2-OE1 3.17Å; R230-E233 PolarHBondContact O-N 2.86Å; R230-E233 VanDerWaalsContact O-N 3.07Å; R230-L234 PolarHBondContact O-N 2.93Å; R230-E239 IonicContact CZ-OE1 3.65Å; R230-E239 IonicContact NH1-OE1 3.52Å; R230-E239 PolarHBondContact NH1-OE1 2.98Å; R230-E239 IonicContact NH2-OE1 3.22Å; R230-E239 PolarHBondContact NH2-OE1 2.99Å; R230-E239 VanDerWaalsContact NH2-OE1 3.17Å
231	L	78.2	Confident	77.9	Confident	13 Å²	13	72.8 Å²	72.8	7%	0.068	37%	0.373	C	S	.	.	H	α-helix	trans	-54.7	-43.4	179	176.2	61.1	0	0	0	111.7	I163 L166 F168 E233 L234 L235 L252	I163-L231 HydrophobicContact CG2-CD2 4.16Å; L166-L231 HydrophobicContact CD2-CD2 4.18Å; L166-L231 PolarHBondContact O-N 3.21Å; F168-L231 HydrophobicContact CE1-CD1 4.37Å; F168-L231 HydrophobicContact CE2-CB 4.13Å; F168-L231 HydrophobicContact CE2-CD1 3.38Å; F168-L231 HydrophobicContact CE2-CG 4.35Å; F168-L231 HydrophobicContact CZ-CD1 3.26Å; F168-L231 HydrophobicContact CZ-CG 4.5Å; L231-E233 PolarHBondContact O-N 3.07Å; L231-L234 PolarHBondContact O-N 3.28Å; L231-L235 HydrophobicContact CD1-CD1 3.72Å; L231-L235 HydrophobicContact CD1-CG 4.12Å; L231-L235 HydrophobicContact CG-CD1 4.04Å; L231-L235 WeakPolarHBondContact O-CB 3.44Å; L231-L235 VanDerWaalsContact O-CG 3.31Å; L231-L235 WeakPolarHBondContact O-CG 3.39Å; L231-L235 PolarHBondContact O-N 3.01Å; L231-L235 VanDerWaalsContact O-N 3.11Å; L231-L252 HydrophobicContact CD2-CD1 3.62Å
232	I	78	Confident	77.9	Confident	2 Å²	2	68.9 Å²	68.9	1%	0.01	36%	0.36	C	S	.	.	H	α-helix	trans	-62.9	-39.3	178.2	61.6	173.6	0	0	0	112.5	I163 R230 L235 G236 L237 E239 L245	I163-I232 HydrophobicContact CG2-CG2 3.61Å; R230-I232 HydrophobicContact CB-CG1 4Å; R230-I232 PolarHBondContact O-N 2.88Å; I232-L235 CarbonylContact O-C 3.59Å; I232-L235 PolarHBondContact O-N 2.97Å; I232-G236 PolarHBondContact O-N 3.26Å; I232-L237 HydrophobicContact CB-CB 4.25Å; I232-L237 PolarHBondContact O-N 3Å; I232-E239 HydrophobicContact CD1-CG 3.6Å; I232-L245 HydrophobicContact CG2-CD2 3.54Å
233	E	79.8	Confident	77.9	Confident	66 Å²	66	71 Å²	71	31%	0.308	36%	0.362	S	S	.	.	H	α-helix	trans	-69.5	-42.3	179.6	-70.5	163.4	178.1	0	0	110.9	V229 R230 L231 L235 G236	V229-E233 HydrophobicContact CG1-CB 4Å; R230-E233 HydrophobicContact CB-CB 4.44Å; R230-E233 HydrophobicContact CB-CG 4.15Å; R230-E233 IonicContact CZ-OE1 2.76Å; R230-E233 PolarHBondContact N-OE2 3.4Å; R230-E233 IonicContact NE-OE1 2.67Å; R230-E233 PolarHBondContact NE-OE1 3.14Å; R230-E233 IonicContact NE-OE2 3.18Å; R230-E233 IonicContact NH2-OE1 2.8Å; R230-E233 PolarHBondContact NH2-OE1 3.17Å; R230-E233 PolarHBondContact O-N 2.86Å; R230-E233 VanDerWaalsContact O-N 3.07Å; L231-E233 PolarHBondContact O-N 3.07Å; E233-L235 PolarHBondContact O-N 3.42Å; E233-G236 PolarHBondContact O-N 3.08Å; E233-G236 VanDerWaalsContact O-N 3.15Å
234	L	76.9	Confident	77.6	Confident	19 Å²	19	68.9 Å²	68.9	10%	0.099	36%	0.356	C	S	.	.	H	α-helix	trans	-62.9	-36.4	177.3	-170.3	67.1	0	0	0	111.6	F168 L215 F216 Y219 V229 R230 L231 G236	F168-L234 HydrophobicContact CD2-CB 3.9Å; F168-L234 HydrophobicContact CD2-CD2 3.51Å; F168-L234 HydrophobicContact CD2-CG 4.28Å; F168-L234 HydrophobicContact CE1-CD2 4.35Å; F168-L234 HydrophobicContact CE2-CB 3.62Å; F168-L234 HydrophobicContact CE2-CD2 3.11Å; F168-L234 HydrophobicContact CE2-CG 3.95Å; F168-L234 HydrophobicContact CG-CD2 4.19Å; F168-L234 HydrophobicContact CZ-CD2 3.6Å; L215-L234 HydrophobicContact CB-CD1 4.25Å; L215-L234 HydrophobicContact CB-CD2 4.1Å; L215-L234 HydrophobicContact CB-CG 4.27Å; F216-L234 HydrophobicContact CB-CD2 4.25Å; Y219-L234 HydrophobicContact CD2-CD1 4.18Å; Y219-L234 HydrophobicContact CG-CD1 4.01Å; V229-L234 HydrophobicContact CG1-CB 3.9Å; V229-L234 HydrophobicContact CG1-CD1 4.33Å; R230-L234 PolarHBondContact O-N 2.93Å; L231-L234 PolarHBondContact O-N 3.28Å; L234-G236 VanDerWaalsContact C-N 3.32Å
235	L	78.1	Confident	77.6	Confident	64 Å²	64	65.3 Å²	65.3	34%	0.335	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-1.8	179.1	-63.5	178.8	0	0	0	113.4	L231 I232 E233 L237 L248	L231-L235 HydrophobicContact CD1-CD1 3.72Å; L231-L235 HydrophobicContact CD1-CG 4.12Å; L231-L235 HydrophobicContact CG-CD1 4.04Å; L231-L235 WeakPolarHBondContact O-CB 3.44Å; L231-L235 VanDerWaalsContact O-CG 3.31Å; L231-L235 WeakPolarHBondContact O-CG 3.39Å; L231-L235 PolarHBondContact O-N 3.01Å; L231-L235 VanDerWaalsContact O-N 3.11Å; I232-L235 CarbonylContact O-C 3.59Å; I232-L235 PolarHBondContact O-N 2.97Å; E233-L235 PolarHBondContact O-N 3.42Å; L235-L237 HydrophobicContact CB-CD1 4.2Å; L235-L237 HydrophobicContact CB-CG 4.02Å; L235-L237 HydrophobicContact CD1-CD1 4.38Å; L235-L237 PolarHBondContact O-N 3.15Å; L235-L248 HydrophobicContact CD1-CD1 3.77Å; L235-L248 HydrophobicContact CD1-CD2 4.07Å
236	G	75.5	Confident	77.5	Confident	37 Å²	37	62.1 Å²	62.1	38%	0.381	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	25	-177.9	0	0	0	0	0	114	I232 E233 L234	I232-G236 PolarHBondContact O-N 3.26Å; E233-G236 PolarHBondContact O-N 3.08Å; E233-G236 VanDerWaalsContact O-N 3.15Å; L234-G236 VanDerWaalsContact C-N 3.32Å
237	L	76.5	Confident	77.7	Confident	39 Å²	39	64.8 Å²	64.8	20%	0.204	33%	0.328	C	S	.	.			trans	-87.3	134.8	179	-64.1	178.9	0	0	0	111	I232 L235 L248	I232-L237 HydrophobicContact CB-CB 4.25Å; I232-L237 PolarHBondContact O-N 3Å; L235-L237 HydrophobicContact CB-CD1 4.2Å; L235-L237 HydrophobicContact CB-CG 4.02Å; L235-L237 HydrophobicContact CD1-CD1 4.38Å; L235-L237 PolarHBondContact O-N 3.15Å; L237-L248 HydrophobicContact CD1-CD1 3.2Å; L237-L248 HydrophobicContact CD1-CG 4.3Å
238	Q	79.1	Confident	78	Confident	126 Å²	126	62.1 Å²	62.1	59%	0.589	32%	0.316	S	S	*	.			trans	-79	146.8	171.6	-58.7	-179.9	-41.5	0	0	110.4	D240 N241	Q238-D240 WeakPolarHBondContact CB-OD1 3.48Å; Q238-D240 PolarHBondContact O-N 2.81Å; Q238-N241 WeakPolarHBondContact O-CB 3.15Å; Q238-N241 PolarHBondContact O-N 3.08Å; Q238-N241 VanDerWaalsContact O-N 3.13Å
239	E	78.9	Confident	78	Confident	110 Å²	110	61.7 Å²	61.7	51%	0.514	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.7	-178.3	-69.9	-177.2	177.3	0	0	113	R230 I232 L245	R230-E239 IonicContact CZ-OE1 3.65Å; R230-E239 IonicContact NH1-OE1 3.52Å; R230-E239 PolarHBondContact NH1-OE1 2.98Å; R230-E239 IonicContact NH2-OE1 3.22Å; R230-E239 PolarHBondContact NH2-OE1 2.99Å; R230-E239 VanDerWaalsContact NH2-OE1 3.17Å; I232-E239 HydrophobicContact CD1-CG 3.6Å; E239-L245 VanDerWaalsContact O-CD1 3.31Å; E239-L245 WeakPolarHBondContact O-CD1 3.37Å
240	D	81.4	Confident	77.6	Confident	126 Å²	126	65.3 Å²	65.3	67%	0.674	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-5.9	178	64.4	-26.9	0	0	0	114.1	Q238 L242	Q238-D240 WeakPolarHBondContact CB-OD1 3.48Å; Q238-D240 PolarHBondContact O-N 2.81Å; D240-L242 PolarHBondContact O-N 3.26Å
241	N	81.4	Confident	76.9	Confident	58 Å²	58	65.4 Å²	65.4	31%	0.31	36%	0.358	S	S	.	.			trans	-76.9	71.4	176.4	-168.9	-25.9	0	0	0	111.3	Q238 E243 S244 L245	Q238-N241 WeakPolarHBondContact O-CB 3.15Å; Q238-N241 PolarHBondContact O-N 3.08Å; Q238-N241 VanDerWaalsContact O-N 3.13Å; N241-E243 PolarHBondContact O-N 3.3Å; N241-E243 VanDerWaalsContact O-N 3.16Å; N241-S244 PolarHBondContact ND2-OG 3.12Å; N241-S244 PolarHBondContact O-N 3.27Å; N241-S244 VanDerWaalsContact OD1-CB 3.29Å; N241-S244 WeakPolarHBondContact OD1-CB 3.5Å; N241-S244 PolarHBondContact OD1-N 2.73Å; N241-S244 VanDerWaalsContact OD1-N 3.09Å; N241-S244 PolarHBondContact OD1-OG 3.09Å; N241-L245 VanDerWaalsContact O-CG 3.32Å; N241-L245 WeakPolarHBondContact O-CG 3.14Å; N241-L245 PolarHBondContact O-N 3.41Å
242	L	79.4	Confident	76.4	Confident	107 Å²	107	67.9 Å²	67.9	56%	0.56	37%	0.371	S	S	*	.	H	α-helix	trans	-55.1	-36.1	-174.2	-175.9	62.4	0	0	0	112.8	D240 K246	D240-L242 PolarHBondContact O-N 3.26Å; L242-K246 HydrophobicContact CD1-CG 4.39Å; L242-K246 HydrophobicContact CG-CD 4.17Å; L242-K246 HydrophobicContact CG-CG 4.47Å; L242-K246 WeakPolarHBondContact O-CB 3.32Å; L242-K246 VanDerWaalsContact O-CG 3.22Å; L242-K246 WeakPolarHBondContact O-CG 3.47Å; L242-K246 PolarHBondContact O-N 3.1Å
243	E	79.2	Confident	75.8	Confident	120 Å²	120	70.2 Å²	70.2	56%	0.561	38%	0.38	S	S	*	.	H	α-helix	trans	-69.8	-48.3	-178	-168.3	60.6	-163.7	0	0	111.8	N241 L245 K246 I247	N241-E243 PolarHBondContact O-N 3.3Å; N241-E243 VanDerWaalsContact O-N 3.16Å; E243-L245 VanDerWaalsContact C-N 3.29Å; E243-L245 PolarHBondContact O-N 3.49Å; E243-K246 PolarHBondContact O-N 3.07Å; E243-I247 HydrophobicContact CG-CD1 4.29Å; E243-I247 WeakPolarHBondContact O-CG1 3.34Å; E243-I247 PolarHBondContact O-N 2.75Å
244	S	76.3	Confident	74.7	Confident	36 Å²	36	71.8 Å²	71.8	25%	0.252	39%	0.39	S	S	.	.	H	α-helix	trans	-63.2	-38.8	176.6	-56.6	0	0	0	0	111.4	N241 I247 L248	N241-S244 PolarHBondContact ND2-OG 3.12Å; N241-S244 PolarHBondContact O-N 3.27Å; N241-S244 VanDerWaalsContact OD1-CB 3.29Å; N241-S244 WeakPolarHBondContact OD1-CB 3.5Å; N241-S244 PolarHBondContact OD1-N 2.73Å; N241-S244 VanDerWaalsContact OD1-N 3.09Å; N241-S244 PolarHBondContact OD1-OG 3.09Å; S244-I247 PolarHBondContact O-N 2.9Å; S244-L248 WeakPolarHBondContact O-CB 3.21Å; S244-L248 WeakPolarHBondContact O-CG 3.37Å; S244-L248 PolarHBondContact O-N 2.9Å
245	L	74.7	Confident	73.1	Confident	16 Å²	16	76.4 Å²	76.4	8%	0.084	41%	0.411	C	S	.	.	H	α-helix	trans	-66.8	-39.5	176.5	-67	176.9	0	0	0	112	I163 I232 E239 N241 E243 S249	I163-L245 HydrophobicContact CG2-CD2 4.24Å; I232-L245 HydrophobicContact CG2-CD2 3.54Å; E239-L245 VanDerWaalsContact O-CD1 3.31Å; E239-L245 WeakPolarHBondContact O-CD1 3.37Å; N241-L245 VanDerWaalsContact O-CG 3.32Å; N241-L245 WeakPolarHBondContact O-CG 3.14Å; N241-L245 PolarHBondContact O-N 3.41Å; E243-L245 VanDerWaalsContact C-N 3.29Å; E243-L245 PolarHBondContact O-N 3.49Å; L245-S249 WeakPolarHBondContact O-CB 3.46Å; L245-S249 PolarHBondContact O-N 3.27Å
246	K	76.8	Confident	71.4	Confident	110 Å²	110	82.8 Å²	82.8	48%	0.478	44%	0.436	S	S	.	.	H	α-helix	trans	-62.9	-44.4	173.5	-80.7	174	177.8	178.6	0	111.9	L242 E243 S249 S250	L242-K246 HydrophobicContact CD1-CG 4.39Å; L242-K246 HydrophobicContact CG-CD 4.17Å; L242-K246 HydrophobicContact CG-CG 4.47Å; L242-K246 WeakPolarHBondContact O-CB 3.32Å; L242-K246 VanDerWaalsContact O-CG 3.22Å; L242-K246 WeakPolarHBondContact O-CG 3.47Å; L242-K246 PolarHBondContact O-N 3.1Å; E243-K246 PolarHBondContact O-N 3.07Å; K246-S249 VanDerWaalsContact O-CB 3.27Å; K246-S249 WeakPolarHBondContact O-CB 3.45Å; K246-S249 PolarHBondContact O-N 3.44Å; K246-S250 PolarHBondContact O-N 2.8Å; K246-S250 PolarHBondContact O-OG 3.25Å
247	I	76.1	Confident	69.7	Low	105 Å²	105	85.7 Å²	85.7	54%	0.538	45%	0.447	S	S	.	.	H	α-helix	trans	-62.7	-47.2	177.9	-66.8	166.3	0	0	0	110.6	E243 S244 S249 S250 A251	E243-I247 HydrophobicContact CG-CD1 4.29Å; E243-I247 WeakPolarHBondContact O-CG1 3.34Å; E243-I247 PolarHBondContact O-N 2.75Å; S244-I247 PolarHBondContact O-N 2.9Å; I247-S249 VanDerWaalsContact C-N 3.29Å; I247-S249 PolarHBondContact O-N 2.84Å; I247-S250 PolarHBondContact O-N 2.95Å; I247-A251 WeakPolarHBondContact O-CB 3.33Å; I247-A251 PolarHBondContact O-N 2.97Å
248	L	72.4	Confident	67.7	Low	39 Å²	39	89.1 Å²	89.1	20%	0.204	46%	0.461	C	S	.	.	H	α-helix	trans	-62.2	-38.7	175.5	-76.4	-179.7	0	0	0	112.3	I163 L235 L237 S244 A251 L252	I163-L248 HydrophobicContact CD1-CB 3.9Å; L235-L248 HydrophobicContact CD1-CD1 3.77Å; L235-L248 HydrophobicContact CD1-CD2 4.07Å; L237-L248 HydrophobicContact CD1-CD1 3.2Å; L237-L248 HydrophobicContact CD1-CG 4.3Å; S244-L248 WeakPolarHBondContact O-CB 3.21Å; S244-L248 WeakPolarHBondContact O-CG 3.37Å; S244-L248 PolarHBondContact O-N 2.9Å; L248-A251 PolarHBondContact O-N 2.9Å; L248-L252 WeakPolarHBondContact O-CB 3.45Å; L248-L252 WeakPolarHBondContact O-CG 3.43Å; L248-L252 PolarHBondContact O-N 3.49Å
249	S	74.8	Confident	65.4	Low	39 Å²	39	90 Å²	90	27%	0.273	46%	0.464	S	S	.	.	H	α-helix	trans	-56.4	-61.1	174.4	-174.9	0	0	0	0	109	L245 K246 I247 A251 L252 Y253	L245-S249 WeakPolarHBondContact O-CB 3.46Å; L245-S249 PolarHBondContact O-N 3.27Å; K246-S249 VanDerWaalsContact O-CB 3.27Å; K246-S249 WeakPolarHBondContact O-CB 3.45Å; K246-S249 PolarHBondContact O-N 3.44Å; I247-S249 VanDerWaalsContact C-N 3.29Å; I247-S249 PolarHBondContact O-N 2.84Å; S249-A251 VanDerWaalsContact C-N 3.26Å; S249-A251 PolarHBondContact O-N 2.98Å; S249-L252 PolarHBondContact O-N 2.8Å; S249-Y253 VanDerWaalsContact C-CD2 3.42Å; S249-Y253 WeakPolarHBondContact O-CB 2.97Å; S249-Y253 WeakPolarHBondContact O-CD2 3.3Å; S249-Y253 PolarHBondContact O-N 2.76Å; S249-Y253 WeakPolarHBondContact OG-CD2 3.41Å; S249-Y253 WeakPolarHBondContact OG-CE2 3.38Å
250	S	72.9	Confident	63.1	Low	77 Å²	77	87.9 Å²	87.9	54%	0.538	46%	0.462	S	S	.	.	H	α-helix	trans	-54	-41.4	178.9	-62.5	0	0	0	0	112.9	K246 I247 L252 Y253 D254	K246-S250 PolarHBondContact O-N 2.8Å; K246-S250 PolarHBondContact O-OG 3.25Å; I247-S250 PolarHBondContact O-N 2.95Å; S250-L252 PolarHBondContact O-N 3.27Å; S250-Y253 PolarHBondContact O-N 3.33Å; S250-D254 WeakPolarHBondContact O-CA 3.43Å; S250-D254 WeakPolarHBondContact O-CB 3.11Å; S250-D254 PolarHBondContact O-N 2.67Å
251	A	69.5	Low	60.7	Low	64 Å²	64	89.1 Å²	89.1	53%	0.529	47%	0.468	S	S	.	.	H	α-helix	trans	-68.3	-32.8	178.7	0	0	0	0	0	114.1	I247 L248 S249	I247-A251 WeakPolarHBondContact O-CB 3.33Å; I247-A251 PolarHBondContact O-N 2.97Å; L248-A251 PolarHBondContact O-N 2.9Å; S249-A251 VanDerWaalsContact C-N 3.26Å; S249-A251 PolarHBondContact O-N 2.98Å
252	L	66.6	Low	58.3	Low	66 Å²	66	93.9 Å²	93.9	35%	0.346	49%	0.494	S	S	.	.	H	α-helix	trans	-84.5	-29.4	177.3	-72.8	173.5	0	0	0	112.8	I163 L166 L231 L248 S249 S250	I163-L252 HydrophobicContact CD1-CD1 4.06Å; I163-L252 HydrophobicContact CG1-CD1 3.81Å; L166-L252 HydrophobicContact CD2-CD1 4.09Å; L231-L252 HydrophobicContact CD2-CD1 3.62Å; L248-L252 WeakPolarHBondContact O-CB 3.45Å; L248-L252 WeakPolarHBondContact O-CG 3.43Å; L248-L252 PolarHBondContact O-N 3.49Å; S249-L252 PolarHBondContact O-N 2.8Å; S250-L252 PolarHBondContact O-N 3.27Å
253	Y	66.1	Low	55.9	Low	51 Å²	51	96 Å²	96	20%	0.2	51%	0.506	C	S	.	.	H	α-helix	trans	-92	0.5	178.6	-62.8	-64	0	0	0	113.1	L139 L144 S249 S250 E255	L139-Y253 HydrophobicContact CD1-CD1 4.27Å; L139-Y253 HydrophobicContact CD1-CE1 3.67Å; L139-Y253 HydrophobicContact CD2-CE1 4.44Å; L144-Y253 HydrophobicContact CD1-CD1 3.53Å; L144-Y253 HydrophobicContact CD1-CE1 3.41Å; L144-Y253 VanDerWaalsContact CD1-CE1 3.41Å; L144-Y253 HydrophobicContact CD1-CG 4.5Å; L144-Y253 HydrophobicContact CD2-CD1 3.88Å; L144-Y253 HydrophobicContact CD2-CE1 3.99Å; L144-Y253 HydrophobicContact CG-CD1 4.37Å; L144-Y253 HydrophobicContact CG-CE1 4.3Å; S249-Y253 VanDerWaalsContact C-CD2 3.42Å; S249-Y253 WeakPolarHBondContact O-CB 2.97Å; S249-Y253 WeakPolarHBondContact O-CD2 3.3Å; S249-Y253 PolarHBondContact O-N 2.76Å; S249-Y253 WeakPolarHBondContact OG-CD2 3.41Å; S249-Y253 WeakPolarHBondContact OG-CE2 3.38Å; S250-Y253 PolarHBondContact O-N 3.33Å; Y253-E255 PolarHBondContact O-N 3Å
254	D	55.9	Low	53.5	Low	98 Å²	98	97.4 Å²	97.4	52%	0.524	52%	0.517	S	S	.	.			trans	-53.9	109.7	-178.2	-118.7	-14.6	0	0	0	110.8	S250 K256 T257	S250-D254 WeakPolarHBondContact O-CA 3.43Å; S250-D254 WeakPolarHBondContact O-CB 3.11Å; S250-D254 PolarHBondContact O-N 2.67Å; D254-K256 PolarHBondContact O-N 3.37Å; D254-K256 VanDerWaalsContact O-N 3.1Å; D254-T257 PolarHBondContact O-N 2.96Å; D254-T257 PolarHBondContact O-OG1 3.45Å
255	E	42.7	Very low	51.1	Low	117 Å²	117	104.7 Å²	104.7	55%	0.547	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-64.5	-22.9	-160	-62.9	176.3	161.4	0	0	113	Y253 T257 F258 H259	Y253-E255 PolarHBondContact O-N 3Å; E255-T257 PolarHBondContact O-N 3.09Å; E255-T257 VanDerWaalsContact O-N 3.15Å; E255-F258 PolarHBondContact O-N 3.48Å; E255-H259 PolarHBondContact O-CD2 3.02Å; E255-H259 PolarHBondContact O-N 3.22Å
256	K	42.8	Very low	48.8	Very low	197 Å²	197	109.1 Å²	109.1	86%	0.857	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-62.6	-23.1	-179	-64.4	-178.6	-177.4	174.2	0	113.3	D254	D254-K256 PolarHBondContact O-N 3.37Å; D254-K256 VanDerWaalsContact O-N 3.1Å
257	T	40.7	Very low	46.6	Very low	99 Å²	99	109.9 Å²	109.9	61%	0.607	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-94.7	-11.4	-179.9	14.2	0	0	0	0	114.7	D254 E255	D254-T257 PolarHBondContact O-N 2.96Å; D254-T257 PolarHBondContact O-OG1 3.45Å; E255-T257 PolarHBondContact O-N 3.09Å; E255-T257 VanDerWaalsContact O-N 3.15Å
258	F	34.5	Very low	44.2	Very low	111 Å²	111	111.6 Å²	111.6	49%	0.487	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.9	-25.4	178.7	-82.4	-85.4	0	0	0	113.1	E255 S260	E255-F258 PolarHBondContact O-N 3.48Å; F258-S260 VanDerWaalsContact C-N 3.34Å; F258-S260 PolarHBondContact O-N 3.25Å; F258-S260 VanDerWaalsContact O-N 3.13Å
259	H	29.9	Very low	42.1	Very low	144 Å²	144	113.6 Å²	113.6	67%	0.667	61%	0.613	S	S	*	*			trans	-87.6	68.9	175.2	-66.6	-65.4	0	0	0	112.2	E255	E255-H259 PolarHBondContact O-CD2 3.02Å; E255-H259 PolarHBondContact O-N 3.22Å
260	S	31.3	Very low	40.1	Very low	66 Å²	66	119.9 Å²	119.9	46%	0.462	64%	0.644	S	S	.	*	S	Bend	trans	-126.4	98.8	157.4	62	0	0	0	0	107.5	F258	F258-S260 VanDerWaalsContact C-N 3.34Å; F258-S260 PolarHBondContact O-N 3.25Å; F258-S260 VanDerWaalsContact O-N 3.13Å
261	N	30.9	Very low	38.1	Very low	151 Å²	151	120.7 Å²	120.7	81%	0.807	65%	0.65	S	S	*	*	S	Bend	trans	81.9	79.9	173.4	-49.9	-12.6	0	0	0	115.8
262	D	31	Very low	36.4	Very low	158 Å²	158	125.5 Å²	125.5	85%	0.845	66%	0.661	S	S	*	*				-173.8	130.9	124.7	-84.1	-24.7	0	0	0	108.6
263	D	29.7	Very low	35	Very low	152 Å²	152	133.9 Å²	133.9	81%	0.813	71%	0.705	S	S	*	*			trans	-63.9	145.2	-170.1	-64.8	-49.6	0	0	0	114.2
264	N	27.4	Very low	33.5	Very low	150 Å²	150	138 Å²	138	80%	0.802	73%	0.73	S	S	*	*			trans	63.6	96	159.4	-63	-30.8	0	0	0	118.9
265	F	27.3	Very low	32.3	Very low	188 Å²	188	140.1 Å²	140.1	83%	0.825	74%	0.741	S	S	*	*				-172.9	130.9	120.6	-122	-95.2	0	0	0	111.1
266	S	24.9	Very low	31.7	Very low	110 Å²	110	141.4 Å²	141.4	77%	0.769	75%	0.752	S	S	*	*			trans	-74.1	129.7	170.6	42.8	0	0	0	0	111.1
267	V	30.2	Very low	31	Very low	126 Å²	126	138.1 Å²	138.1	76%	0.764	75%	0.745	S	S	*	*			trans	-131.4	138.6	169.4	-178.8	0	0	0	0	109.9
268	I	26.1	Very low	30.4	Very low	140 Å²	140	140.6 Å²	140.6	72%	0.718	75%	0.754	S	S	*	*			trans	-78.8	140.5	-168.3	-65.1	165.9	0	0	0	110.9
269	T	29.6	Very low	30.2	Very low	82 Å²	82	142.5 Å²	142.5	50%	0.503	77%	0.772	S	S	.	*			trans	-76.3	152.4	179.7	53.3	0	0	0	0	112.7	S271	T269-S271 PolarHBondContact O-N 3.02Å
270	N	32.2	Very low	30.2	Very low	171 Å²	171	142.4 Å²	142.4	91%	0.914	78%	0.779	S	S	*	*	S	Bend	trans	-66.2	50.5	-177.2	-75.3	-30	0	0	0	115.7
271	S	30.4	Very low	30.1	Very low	94 Å²	94	148.3 Å²	148.3	66%	0.657	80%	0.804	S	S	*	*	S	Bend	trans	-107.8	14.4	170.5	38.7	0	0	0	0	113.5	T269	T269-S271 PolarHBondContact O-N 3.02Å
272	E	34.4	Very low	30	Very low	165 Å²	165	148.1 Å²	148.1	77%	0.771	80%	0.804	S	S	*	*			trans	-133.9	26.5	179.6	-69.4	-168.2	154.7	0	0	117
273	L	37	Very low	29.9	Very low	241 Å²	241	147.2 Å²	147.2	100%	1.262	80%	0.8	S	S	*	*			trans	-139.1	0	162.8	-78.7	171	0	0	0	110.9

Retrieved 273 of 273 residues in 421.9 ms (Link to these results)

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