A0A077YZV6_TRITR Loading...

Zf-C2H2 and zf-H2C2 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZV6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 196 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	47.6	Very low	39.6	Very low	230 Å²	230	164.1 Å²	164.1	100%	1.133	80%	0.802	S	S	*	*				0	114.2	0	-61	-174.9	179.9	0	0	105.6
2	F	36.8	Very low	39.6	Very low	204 Å²	204	159.6 Å²	159.6	90%	0.895	80%	0.799	S	S	*	*				-154.7	137.5	73.3	-88	-88.7	0	0	0	111.5
3	S	44.8	Very low	39.1	Very low	103 Å²	103	151.3 Å²	151.3	72%	0.72	78%	0.779	S	S	*	*			trans	-65.2	156.7	144.1	-108.5	0	0	0	0	108.8
4	P	46.3	Very low	39	Very low	114 Å²	114	147.2 Å²	147.2	74%	0.74	77%	0.767	S	S	*	*				-148.4	166.1	52.7	35.3	-12.8	0	0	0	117.5
5	T	42.5	Very low	38.9	Very low	116 Å²	116	148.4 Å²	148.4	71%	0.712	77%	0.772	S	S	*	*			trans	-43.9	132.2	161.1	48.2	0	0	0	0	114.5
6	F	42.3	Very low	38.5	Very low	178 Å²	178	150.7 Å²	150.7	78%	0.781	77%	0.769	S	S	*	*			trans	-128.3	93.6	146.7	-114.5	-91.4	0	0	0	108.6	W8	F6-W8 PolarHBondContact O-N 3.49Å
7	F	34.1	Very low	38.7	Very low	178 Å²	178	148.9 Å²	148.9	78%	0.781	77%	0.77	S	S	*	*			trans	-75.9	108.6	163.7	-132.2	-99.1	0	0	0	106.2	P9	F7-P9 HydrophobicContact CD1-CG 4.22Å
8	W	32	Very low	38.4	Very low	213 Å²	213	147.2 Å²	147.2	81%	0.807	77%	0.771	S	S	*	*			trans	-127	95.9	159.2	-99.5	9.4	0	0	0	109.1	F6 W10	F6-W8 PolarHBondContact O-N 3.49Å; W8-W10 PolarHBondContact O-N 3.27Å
9	P	36.5	Very low	38	Very low	91 Å²	91	146.2 Å²	146.2	59%	0.591	77%	0.767	S	S	*	*			trans	-81.9	94.1	166.8	32.2	-24.7	0	0	0	107.4	F7	F7-P9 HydrophobicContact CD1-CG 4.22Å
10	W	36.1	Very low	38	Very low	222 Å²	222	145.5 Å²	145.5	84%	0.841	77%	0.769	S	S	*	*			trans	-118.3	71.1	159	-86.9	63	0	0	0	108.1	W8	W8-W10 PolarHBondContact O-N 3.27Å
11	L	36.3	Very low	37.7	Very low	156 Å²	156	146.3 Å²	146.3	82%	0.817	77%	0.766	S	S	*	*			trans	-69.5	143.6	145.3	-93.2	90.7	0	0	0	107.9
12	S	40.4	Very low	37.2	Very low	110 Å²	110	140.5 Å²	140.5	77%	0.769	75%	0.745	S	S	*	*			trans	81	49.7	163.7	-47	0	0	0	0	116.8
13	G	32.4	Very low	37.2	Very low	52 Å²	52	140.6 Å²	140.6	54%	0.536	75%	0.745	S	S	.	*			trans	-68.7	130.2	147.4	0	0	0	0	0	109.4	I15	G13-I15 PolarHBondContact O-N 3.29Å
14	P	37.4	Very low	36.8	Very low	94 Å²	94	144 Å²	144	61%	0.61	75%	0.749	S	S	*	*			trans	-59.6	129.2	177	21.2	-30.3	0	0	0	110.4	Y16	P14-Y16 HydrophobicContact CB-CE2 4.34Å; P14-Y16 HydrophobicContact CG-CD2 4.28Å; P14-Y16 HydrophobicContact CG-CE2 3.66Å; P14-Y16 WeakPolarHBondContact O-CD2 3.49Å; P14-Y16 PolarHBondContact O-N 3.43Å
15	I	37.5	Very low	36.5	Very low	165 Å²	165	144.9 Å²	144.9	85%	0.846	75%	0.753	S	S	*	*			trans	-65.9	89.6	168.2	-58.1	173	0	0	0	106.4	G13 P17	G13-I15 PolarHBondContact O-N 3.29Å; I15-P17 WeakPolarHBondContact O-CD 3.48Å
16	Y	33.3	Very low	36.1	Very low	185 Å²	185	147.6 Å²	147.6	73%	0.725	76%	0.757	S	S	*	*			trans	-65.7	116.1	164.3	-72.6	-80.6	0	0	0	107.2	P14 C18	P14-Y16 HydrophobicContact CB-CE2 4.34Å; P14-Y16 HydrophobicContact CG-CD2 4.28Å; P14-Y16 HydrophobicContact CG-CE2 3.66Å; P14-Y16 WeakPolarHBondContact O-CD2 3.49Å; P14-Y16 PolarHBondContact O-N 3.43Å; Y16-C18 PolarHBondContact O-N 3.35Å
17	P	40.7	Very low	35.9	Very low	120 Å²	120	144 Å²	144	78%	0.779	75%	0.754	S	S	*	*			trans	-58.3	119.3	172.2	22.6	-30.5	0	0	0	108.3	I15 N19	I15-P17 WeakPolarHBondContact O-CD 3.48Å; P17-N19 PolarHBondContact O-N 3.42Å; P17-N19 VanDerWaalsContact O-N 3.14Å
18	C	33.4	Very low	36.1	Very low	118 Å²	118	141.5 Å²	141.5	80%	0.797	75%	0.753	S	S	*	*			trans	-46.4	116	-172.4	-49.3	0	0	0	0	111.7	Y16 V20	Y16-C18 PolarHBondContact O-N 3.35Å; C18-V20 PolarHBondContact O-N 3.38Å
19	N	31	Very low	36.3	Very low	129 Å²	129	142.2 Å²	142.2	69%	0.69	76%	0.756	S	S	*	*			trans	31.4	70.2	143.6	-152.3	-7.7	0	0	0	114.3	P17 K21	P17-N19 PolarHBondContact O-N 3.42Å; P17-N19 VanDerWaalsContact O-N 3.14Å; N19-K21 PolarHBondContact O-N 3.44Å
20	V	38.4	Very low	36.4	Very low	132 Å²	132	148.8 Å²	148.8	80%	0.8	77%	0.769	S	S	*	*			trans	-69.5	88.8	156.7	-179.7	0	0	0	0	105.2	C18 P22	C18-V20 PolarHBondContact O-N 3.38Å; V20-P22 VanDerWaalsContact O-CD 3.29Å; V20-P22 WeakPolarHBondContact O-CD 3.48Å
21	K	32.2	Very low	36.3	Very low	163 Å²	163	143.4 Å²	143.4	71%	0.709	77%	0.765	S	S	*	*			trans	-51.2	118.2	164.2	-71.9	-164.3	-179.7	-169	0	105.8	N19 K23	N19-K21 PolarHBondContact O-N 3.44Å; K21-K23 PolarHBondContact O-N 3.32Å; K21-K23 VanDerWaalsContact O-N 3.07Å
22	P	35.6	Very low	36.3	Very low	107 Å²	107	140.7 Å²	140.7	70%	0.695	76%	0.759	S	S	*	*			trans	-55.5	125.9	174.6	21.5	-29.8	0	0	0	106	V20 Q24	V20-P22 VanDerWaalsContact O-CD 3.29Å; V20-P22 WeakPolarHBondContact O-CD 3.48Å; P22-Q24 VanDerWaalsContact C-N 3.28Å; P22-Q24 PolarHBondContact O-N 3.15Å
23	K	38.8	Very low	36	Very low	206 Å²	206	141.9 Å²	141.9	90%	0.896	76%	0.762	S	S	*	*			trans	-54	105.7	166.1	-84.6	-174.5	172	-172.9	0	105	K21 V25	K21-K23 PolarHBondContact O-N 3.32Å; K21-K23 VanDerWaalsContact O-N 3.07Å; K23-V25 VanDerWaalsContact C-N 3.28Å; K23-V25 PolarHBondContact O-N 3.15Å
24	Q	35.4	Very low	36.4	Very low	175 Å²	175	145.7 Å²	145.7	82%	0.818	78%	0.775	S	S	*	*			trans	-55.2	107.9	163.4	-72.5	-141.4	-57.7	0	0	104.6	P22 Q26	P22-Q24 VanDerWaalsContact C-N 3.28Å; P22-Q24 PolarHBondContact O-N 3.15Å; Q24-Q26 PolarHBondContact O-N 2.92Å
25	V	39.7	Very low	36.1	Very low	133 Å²	133	149.9 Å²	149.9	81%	0.806	78%	0.784	S	S	*	*			trans	-60.8	106	162.9	74.5	0	0	0	0	102.9	K23 S27	K23-V25 VanDerWaalsContact C-N 3.28Å; K23-V25 PolarHBondContact O-N 3.15Å; V25-S27 PolarHBondContact O-N 3.48Å
26	Q	35.2	Very low	35.8	Very low	172 Å²	172	148.6 Å²	148.6	80%	0.804	78%	0.778	S	S	*	*			trans	-65.7	93.5	172.3	-77.1	176.6	-26.9	0	0	105.1	Q24 T28	Q24-Q26 PolarHBondContact O-N 2.92Å; Q26-T28 VanDerWaalsContact C-N 3.28Å; Q26-T28 PolarHBondContact O-N 2.82Å
27	S	37.4	Very low	35.4	Very low	103 Å²	103	148.3 Å²	148.3	72%	0.72	78%	0.781	S	S	*	*			trans	-57.6	102.4	156.5	172.1	0	0	0	0	105.3	V25 R29	V25-S27 PolarHBondContact O-N 3.48Å; S27-R29 VanDerWaalsContact C-N 3.28Å; S27-R29 PolarHBondContact O-N 3.27Å
28	T	38.3	Very low	34.9	Very low	125 Å²	125	152.6 Å²	152.6	77%	0.767	78%	0.781	S	S	*	*			trans	-70.1	91.2	172	51.8	0	0	0	0	107	Q26 R30	Q26-T28 VanDerWaalsContact C-N 3.28Å; Q26-T28 PolarHBondContact O-N 2.82Å; T28-R30 PolarHBondContact O-N 3.41Å
29	R	35.6	Very low	35.1	Very low	228 Å²	228	152.5 Å²	152.5	86%	0.86	78%	0.779	S	S	*	*			trans	-65.6	110.1	155.6	-98.8	-172.7	-167.8	-132.2	2.7	106.8	S27 S31	S27-R29 VanDerWaalsContact C-N 3.28Å; S27-R29 PolarHBondContact O-N 3.27Å; R29-S31 PolarHBondContact O-N 3.49Å
30	R	38.3	Very low	35	Very low	230 Å²	230	157.1 Å²	157.1	87%	0.868	79%	0.787	S	S	*	*			trans	-74.5	97.2	161	-164.7	175.9	-138.5	-174.2	2.9	106.5	T28 S32	T28-R30 PolarHBondContact O-N 3.41Å; R30-S32 PolarHBondContact O-N 3.06Å
31	S	34.2	Very low	34.6	Very low	109 Å²	109	159 Å²	159	76%	0.762	79%	0.787	S	S	*	*			trans	-73.1	97.8	164.2	-72.1	0	0	0	0	107.8	R29	R29-S31 PolarHBondContact O-N 3.49Å
32	S	38.2	Very low	34.4	Very low	98 Å²	98	158.3 Å²	158.3	69%	0.685	79%	0.791	S	S	*	*			trans	-97.2	113	156.1	-70.5	0	0	0	0	107.1	R30 T34	R30-S32 PolarHBondContact O-N 3.06Å; S32-T34 PolarHBondContact O-N 2.88Å
33	T	33.1	Very low	34.3	Very low	135 Å²	135	160.2 Å²	160.2	83%	0.828	80%	0.796	S	S	*	*			trans	-61.7	116	172.5	44.7	0	0	0	0	111.4
34	T	39.9	Very low	33.9	Very low	133 Å²	133	154.3 Å²	154.3	82%	0.816	79%	0.793	S	S	*	*			trans	-144.1	97.1	152	-49.2	0	0	0	0	110.2	S32	S32-T34 PolarHBondContact O-N 2.88Å
35	K	32.4	Very low	33.8	Very low	182 Å²	182	153.5 Å²	153.5	79%	0.791	79%	0.789	S	S	*	*			trans	29.5	126.7	134.8	-81	-177.3	-179.9	-179.3	0	121.3
36	L	30.4	Very low	33.4	Very low	137 Å²	137	156.6 Å²	156.6	72%	0.717	80%	0.795	S	S	*	*				87.7	114.6	129.1	-64.3	168.1	0	0	0	120.4
37	F	24.4	Very low	33.4	Very low	180 Å²	180	154 Å²	154	79%	0.789	79%	0.79	S	S	*	*			trans	63.8	113.1	132.7	-96.1	-100.4	0	0	0	120.5
38	R	32.1	Very low	33.2	Very low	209 Å²	209	155.5 Å²	155.5	79%	0.789	80%	0.795	S	S	*	*				174.1	141.5	93.1	-101.4	175.3	160.3	-131.2	-4.7	110.9
39	P	36.4	Very low	32.8	Very low	116 Å²	116	153.8 Å²	153.8	75%	0.753	79%	0.788	S	S	*	*			trans	-86.4	133.3	177.3	24.6	-12.4	0	0	0	110.5
40	W	29.8	Very low	32.9	Very low	227 Å²	227	149 Å²	149	86%	0.86	79%	0.787	S	S	*	*			trans	-131.2	141.7	168.5	-97.5	69	0	0	0	110.8
41	Q	30.1	Very low	32.8	Very low	170 Å²	170	143.3 Å²	143.3	79%	0.794	78%	0.782	S	S	*	*			trans	-77	156.9	-155.4	-74.2	158.8	-48.3	0	0	114.2	N43	Q41-N43 PolarHBondContact O-N 3.47Å
42	D	28.4	Very low	32.9	Very low	149 Å²	149	147.1 Å²	147.1	80%	0.797	79%	0.785	S	S	*	*			trans	-42.8	117.7	167.1	-168.9	-0.1	0	0	0	112.5	G44	D42-G44 PolarHBondContact OD1-N 3.39Å
43	N	33.2	Very low	32.8	Very low	148 Å²	148	147.1 Å²	147.1	79%	0.791	79%	0.791	S	S	*	*			trans	-136.6	82.7	159.6	-80.4	-25.3	0	0	0	106.6	Q41 E45	Q41-N43 PolarHBondContact O-N 3.47Å; N43-E45 VanDerWaalsContact C-N 3.26Å; N43-E45 PolarHBondContact O-N 3.25Å
44	G	30.6	Very low	33	Very low	81 Å²	81	148 Å²	148	84%	0.835	79%	0.785	S	S	*	*				47	26.7	120.1	0	0	0	0	0	121	D42	D42-G44 PolarHBondContact OD1-N 3.39Å
45	E	32.5	Very low	32.9	Very low	159 Å²	159	146.8 Å²	146.8	74%	0.743	78%	0.782	S	S	*	*			trans	-114.6	120.2	163.9	52.3	-174.5	87.2	0	0	109.9	N43 V47	N43-E45 VanDerWaalsContact C-N 3.26Å; N43-E45 PolarHBondContact O-N 3.25Å; E45-V47 VanDerWaalsContact C-N 3.25Å; E45-V47 PolarHBondContact O-N 2.97Å
46	E	30.3	Very low	33.3	Very low	198 Å²	198	143.8 Å²	143.8	93%	0.925	78%	0.781	S	S	*	*			trans	-60.5	84.7	-178.6	-63.1	-173.7	104.6	0	0	110.3	V48	E46-V48 PolarHBondContact O-N 3.42Å
47	V	35.4	Very low	33.6	Very low	116 Å²	116	143.6 Å²	143.6	70%	0.703	78%	0.78	S	S	*	*			trans	-67	104.9	167.2	-71.7	0	0	0	0	107.2	E45 S49	E45-V47 VanDerWaalsContact C-N 3.25Å; E45-V47 PolarHBondContact O-N 2.97Å; V47-S49 VanDerWaalsContact C-N 3.32Å; V47-S49 PolarHBondContact O-N 2.83Å
48	V	32.8	Very low	34.2	Very low	136 Å²	136	140.5 Å²	140.5	82%	0.824	78%	0.78	S	S	*	*			trans	-44.6	101.7	166.1	163.4	0	0	0	0	107.7	E46	E46-V48 PolarHBondContact O-N 3.42Å
49	S	30.5	Very low	34.5	Very low	88 Å²	88	138.4 Å²	138.4	62%	0.615	78%	0.779	S	S	*	*			trans	-59.6	128.8	168.7	-73.2	0	0	0	0	106.2	V47 S51	V47-S49 VanDerWaalsContact C-N 3.32Å; V47-S49 PolarHBondContact O-N 2.83Å; S49-S51 PolarHBondContact O-N 3.4Å
50	P	38.8	Very low	34.9	Very low	128 Å²	128	138.5 Å²	138.5	83%	0.831	78%	0.779	S	S	*	*			trans	-62	96.2	171.6	-4.3	13.6	0	0	0	106.8	K52	P50-K52 PolarHBondContact O-N 3.34Å
51	S	34.6	Very low	35.9	Very low	110 Å²	110	131.7 Å²	131.7	77%	0.769	76%	0.759	S	S	*	*			trans	-52.4	110.3	171.6	-70.5	0	0	0	0	106.3	S49 A53	S49-S51 PolarHBondContact O-N 3.4Å; S51-A53 PolarHBondContact O-N 3.19Å
52	K	38.3	Very low	37.1	Very low	190 Å²	190	132 Å²	132	83%	0.826	76%	0.76	S	S	*	*			trans	35.9	90.5	146.1	-162.4	157.9	-172.5	170.2	0	111.7	P50 Q54	P50-K52 PolarHBondContact O-N 3.34Å; K52-Q54 VanDerWaalsContact C-N 3.27Å; K52-Q54 PolarHBondContact O-N 3.06Å
53	A	35.4	Very low	38.5	Very low	97 Å²	97	127 Å²	127	80%	0.802	73%	0.733	S	S	*	*			trans	-34.9	96.4	170.9	0	0	0	0	0	109.3	S51 S55	S51-A53 PolarHBondContact O-N 3.19Å; A53-S55 VanDerWaalsContact C-N 3.27Å; A53-S55 PolarHBondContact O-N 2.62Å
54	Q	36.4	Very low	39.8	Very low	154 Å²	154	122.3 Å²	122.3	72%	0.72	71%	0.712	S	S	*	*			trans	-62.2	106.3	168.9	-72.7	174.7	-4.2	0	0	101.6	K52	K52-Q54 VanDerWaalsContact C-N 3.27Å; K52-Q54 PolarHBondContact O-N 3.06Å
55	S	38.2	Very low	41	Very low	107 Å²	107	123.2 Å²	123.2	75%	0.748	70%	0.704	S	S	*	*			trans	-44	118	157.7	-62	0	0	0	0	103.7	A53 L57	A53-S55 VanDerWaalsContact C-N 3.27Å; A53-S55 PolarHBondContact O-N 2.62Å; S55-L57 PolarHBondContact O-N 2.87Å
56	P	40.4	Very low	42	Very low	119 Å²	119	123.7 Å²	123.7	77%	0.773	70%	0.704	S	S	*	*			trans	-48.7	114.4	-165.9	16.1	-29.4	0	0	0	105.8	C58	P56-C58 PolarHBondContact O-N 2.95Å
57	L	37.8	Very low	43.5	Very low	133 Å²	133	115.5 Å²	115.5	70%	0.696	67%	0.666	S	S	*	*			trans	-37.3	117.8	175.4	-88.2	143.4	0	0	0	104.4	S55 Q59	S55-L57 PolarHBondContact O-N 2.87Å; L57-Q59 PolarHBondContact O-N 3.49Å
58	C	36.7	Very low	45	Very low	116 Å²	116	115 Å²	115	78%	0.784	66%	0.659	S	S	*	*			trans	-59.9	86.6	172.6	-72.6	0	0	0	0	105	P56 P60	P56-C58 PolarHBondContact O-N 2.95Å; C58-P60 WeakPolarHBondContact O-CD 3.12Å; C58-P60 VanDerWaalsContact O-N 3.11Å
59	Q	37.4	Very low	46.1	Very low	165 Å²	165	114.4 Å²	114.4	77%	0.771	65%	0.649	S	S	*	*			trans	-57	118.1	163.3	-65.9	-173.9	-74.8	0	0	102.8	L57 I61	L57-Q59 PolarHBondContact O-N 3.49Å; Q59-I61 PolarHBondContact O-N 3.12Å
60	P	45.4	Very low	47.5	Very low	117 Å²	117	114.3 Å²	114.3	76%	0.76	64%	0.641	S	S	*	*			trans	-54.4	111.5	173.4	-20.6	31.9	0	0	0	106	C58 E62	C58-P60 WeakPolarHBondContact O-CD 3.12Å; C58-P60 VanDerWaalsContact O-N 3.11Å; P60-E62 PolarHBondContact O-N 3.27Å; P60-E62 VanDerWaalsContact O-N 3.12Å
61	I	51.6	Low	48.7	Very low	85 Å²	85	110.3 Å²	110.3	44%	0.436	61%	0.613	S	S	.	*			trans	-69	115.7	171	-55.5	-170.3	0	0	0	104.1	Q59 M63 I104	Q59-I61 PolarHBondContact O-N 3.12Å; I61-M63 VanDerWaalsContact C-N 3.34Å; I61-M63 PolarHBondContact O-N 3.25Å; I61-I104 HydrophobicContact CD1-CB 4.47Å; I61-I104 HydrophobicContact CD1-CG2 4.45Å
62	E	54	Low	49.9	Very low	175 Å²	175	107.9 Å²	107.9	82%	0.818	60%	0.596	S	S	*	*			trans	-45.8	95.2	176.2	-80.3	-70.5	133	0	0	110.2	P60 S64	P60-E62 PolarHBondContact O-N 3.27Å; P60-E62 VanDerWaalsContact O-N 3.12Å; E62-S64 PolarHBondContact O-N 2.8Å
63	M	59.1	Low	50.9	Low	45 Å²	45	102.6 Å²	102.6	22%	0.222	58%	0.582	C	S	.	*			trans	-80.1	109.5	166.7	-174.4	66.1	71.5	0	0	105.1	I61 C65 N67 S93 I104	I61-M63 VanDerWaalsContact C-N 3.34Å; I61-M63 PolarHBondContact O-N 3.25Å; M63-C65 PolarHBondContact O-N 2.82Å; M63-N67 HydrophobicContact CG-CB 3.76Å; M63-N67 HydrophobicContact SD-CB 3.37Å; M63-N67 WeakPolarHBondContact SD-CB 3.44Å; M63-S93 PolarHBondContact SD-OG 3.1Å; M63-S93 VanDerWaalsContact SD-OG 3.38Å; M63-I104 HydrophobicContact CE-CD1 3.55Å; M63-I104 HydrophobicContact CE-CG2 4.41Å
64	S	59.9	Low	51.7	Low	49 Å²	49	99.1 Å²	99.1	34%	0.343	55%	0.552	S	S	.	*			trans	-49.9	142.3	-179.8	82.2	0	0	0	0	110.8	E62 K66 N67 L68	E62-S64 PolarHBondContact O-N 2.8Å; S64-K66 PolarHBondContact O-N 3.43Å; S64-N67 WeakPolarHBondContact O-CA 3.45Å; S64-N67 WeakPolarHBondContact O-CB 3.13Å; S64-N67 PolarHBondContact O-N 2.98Å; S64-N67 VanDerWaalsContact OG-CG 3.31Å; S64-N67 PolarHBondContact OG-N 3.17Å; S64-N67 PolarHBondContact OG-ND2 2.99Å; S64-L68 PolarHBondContact O-N 2.87Å; S64-L68 VanDerWaalsContact O-N 3.1Å
65	C	55	Low	52.7	Low	101 Å²	101	97.4 Å²	97.4	68%	0.682	55%	0.546	S	S	*	.	H	α-helix	trans	-49.8	-33.8	177.8	-65.4	0	0	0	0	111.7	M63 N67 L68 M69	M63-C65 PolarHBondContact O-N 2.82Å; C65-N67 VanDerWaalsContact C-N 3.33Å; C65-N67 PolarHBondContact O-N 2.93Å; C65-L68 WeakPolarHBondContact O-CB 3.39Å; C65-L68 PolarHBondContact O-N 3.41Å; C65-M69 WeakPolarHBondContact O-CB 3.47Å; C65-M69 WeakPolarHBondContact O-CG 3.4Å; C65-M69 PolarHBondContact O-N 3.03Å
66	K	53.9	Low	53.3	Low	169 Å²	169	101 Å²	101	74%	0.735	55%	0.549	S	S	*	.	H	α-helix	trans	-57.4	-43.8	174.7	-62.6	178.6	179.8	178.4	0	112.4	S64 M69 L70	S64-K66 PolarHBondContact O-N 3.43Å; K66-M69 PolarHBondContact O-N 2.77Å; K66-L70 WeakPolarHBondContact O-CG 3.45Å; K66-L70 PolarHBondContact O-N 3.21Å
67	N	62.5	Low	53.7	Low	25 Å²	25	100.4 Å²	100.4	13%	0.134	54%	0.539	C	S	.	.	H	α-helix	trans	-74.6	-33.7	179.7	-58.8	-41.5	0	0	0	111.9	M63 S64 C65 L70 L71 I89 S93	M63-N67 HydrophobicContact CG-CB 3.76Å; M63-N67 HydrophobicContact SD-CB 3.37Å; M63-N67 WeakPolarHBondContact SD-CB 3.44Å; S64-N67 WeakPolarHBondContact O-CA 3.45Å; S64-N67 WeakPolarHBondContact O-CB 3.13Å; S64-N67 PolarHBondContact O-N 2.98Å; S64-N67 VanDerWaalsContact OG-CG 3.31Å; S64-N67 PolarHBondContact OG-N 3.17Å; S64-N67 PolarHBondContact OG-ND2 2.99Å; C65-N67 VanDerWaalsContact C-N 3.33Å; C65-N67 PolarHBondContact O-N 2.93Å; N67-L70 PolarHBondContact O-N 3.33Å; N67-L71 WeakPolarHBondContact O-CG 3.44Å; N67-L71 PolarHBondContact O-N 2.99Å; N67-L71 VanDerWaalsContact O-N 3.12Å; N67-I89 HydrophobicContact CB-CG2 4.39Å; N67-S93 WeakPolarHBondContact ND2-CB 3.5Å
68	L	65.9	Low	54.4	Low	107 Å²	107	97 Å²	97	56%	0.56	54%	0.536	S	S	*	.	H	α-helix	trans	-62.2	-43.8	171	-163.8	89.6	0	0	0	111.4	S64 C65 L70 L71 S72	S64-L68 PolarHBondContact O-N 2.87Å; S64-L68 VanDerWaalsContact O-N 3.1Å; C65-L68 WeakPolarHBondContact O-CB 3.39Å; C65-L68 PolarHBondContact O-N 3.41Å; L68-L70 VanDerWaalsContact C-N 3.34Å; L68-L70 PolarHBondContact O-N 2.83Å; L68-L71 WeakPolarHBondContact O-CB 3.46Å; L68-L71 PolarHBondContact O-N 3.46Å; L68-S72 PolarHBondContact O-N 3.3Å; L68-S72 VanDerWaalsContact O-N 3.15Å
69	M	56.6	Low	55.5	Low	123 Å²	123	97.5 Å²	97.5	61%	0.606	53%	0.531	S	S	*	.	H	α-helix	trans	-68.9	-30.4	178.1	-65.3	-65.9	-82	0	0	112.9	C65 K66 S72 S73	C65-M69 WeakPolarHBondContact O-CB 3.47Å; C65-M69 WeakPolarHBondContact O-CG 3.4Å; C65-M69 PolarHBondContact O-N 3.03Å; K66-M69 PolarHBondContact O-N 2.77Å; M69-S72 PolarHBondContact O-OG 2.86Å; M69-S73 WeakPolarHBondContact O-CB 3.34Å; M69-S73 PolarHBondContact O-N 3.38Å; M69-S73 VanDerWaalsContact O-N 3.15Å; M69-S73 PolarHBondContact O-OG 3.12Å
70	L	60.8	Low	56.7	Low	85 Å²	85	94.7 Å²	94.7	45%	0.445	52%	0.521	S	S	.	.	H	α-helix	trans	-68.1	-41.4	172	-76.3	163.8	0	0	0	111.2	K66 N67 L68 S72 S73 C74 I89	K66-L70 WeakPolarHBondContact O-CG 3.45Å; K66-L70 PolarHBondContact O-N 3.21Å; N67-L70 PolarHBondContact O-N 3.33Å; L68-L70 VanDerWaalsContact C-N 3.34Å; L68-L70 PolarHBondContact O-N 2.83Å; L70-S72 PolarHBondContact O-N 3.47Å; L70-S73 PolarHBondContact O-N 3.47Å; L70-C74 PolarHBondContact O-N 3.38Å; L70-C74 PolarHBondContact O-SG 3.37Å; L70-I89 HydrophobicContact CB-CD1 3.77Å; L70-I89 HydrophobicContact CB-CG1 4.13Å; L70-I89 HydrophobicContact CB-CG2 4.14Å
71	L	64.1	Low	57.5	Low	45 Å²	45	93.2 Å²	93.2	24%	0.236	51%	0.507	C	S	.	.	H	α-helix	trans	-61.3	-42.3	176	-71.3	167.4	0	0	0	112	N67 L68 C74 T86 I89	N67-L71 WeakPolarHBondContact O-CG 3.44Å; N67-L71 PolarHBondContact O-N 2.99Å; N67-L71 VanDerWaalsContact O-N 3.12Å; L68-L71 WeakPolarHBondContact O-CB 3.46Å; L68-L71 PolarHBondContact O-N 3.46Å; L71-C74 PolarHBondContact O-N 3.41Å; L71-T86 HydrophobicContact CD2-CG2 3.44Å; L71-T86 VanDerWaalsContact CD2-CG2 3.44Å; L71-I89 HydrophobicContact CD2-CB 4.46Å; L71-I89 HydrophobicContact CD2-CD1 4.45Å; L71-I89 HydrophobicContact CD2-CG2 4.26Å; L71-I89 HydrophobicContact CG-CG2 4.16Å
72	S	58.4	Low	58	Low	59 Å²	59	91 Å²	91	41%	0.413	50%	0.496	S	S	.	.	H	α-helix	trans	-68	-35.2	178	64.4	0	0	0	0	113	L68 M69 L70 C74 I75	L68-S72 PolarHBondContact O-N 3.3Å; L68-S72 VanDerWaalsContact O-N 3.15Å; M69-S72 PolarHBondContact O-OG 2.86Å; L70-S72 PolarHBondContact O-N 3.47Å; S72-C74 VanDerWaalsContact C-N 3.3Å; S72-C74 PolarHBondContact O-N 3.39Å; S72-I75 WeakPolarHBondContact O-CB 3.5Å; S72-I75 PolarHBondContact O-N 3.33Å
73	S	58.8	Low	59.1	Low	78 Å²	78	83.6 Å²	83.6	55%	0.545	46%	0.463	S	S	.	.	H	α-helix	trans	-66.6	-30.6	178.2	-60.8	0	0	0	0	112.8	M69 L70 I75	M69-S73 WeakPolarHBondContact O-CB 3.34Å; M69-S73 PolarHBondContact O-N 3.38Å; M69-S73 VanDerWaalsContact O-N 3.15Å; M69-S73 PolarHBondContact O-OG 3.12Å; L70-S73 PolarHBondContact O-N 3.47Å; S73-I75 VanDerWaalsContact C-N 3.28Å; S73-I75 PolarHBondContact O-N 2.83Å
74	C	53.6	Low	60	Low	24 Å²	24	87.5 Å²	87.5	16%	0.162	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-71.4	-18.3	179.4	-66.3	0	0	0	0	113.8	L70 L71 S72 K76 N77 L82 S85 I89	L70-C74 PolarHBondContact O-N 3.38Å; L70-C74 PolarHBondContact O-SG 3.37Å; L71-C74 PolarHBondContact O-N 3.41Å; S72-C74 VanDerWaalsContact C-N 3.3Å; S72-C74 PolarHBondContact O-N 3.39Å; C74-K76 PolarHBondContact O-N 2.86Å; C74-N77 PolarHBondContact O-N 2.95Å; C74-L82 VanDerWaalsContact C-CD1 3.48Å; C74-L82 HydrophobicContact CB-CD1 3.38Å; C74-L82 WeakPolarHBondContact O-CD1 3.47Å; C74-S85 PolarHBondContact SG-OG 3.46Å; C74-I89 VanDerWaalsContact SG-CD1 3.56Å
75	I	55.8	Low	60.8	Low	118 Å²	118	86.3 Å²	86.3	61%	0.605	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-61.6	-14.1	-174.2	-61.7	174.4	0	0	0	112.6	S72 S73 N77 L82	S72-I75 WeakPolarHBondContact O-CB 3.5Å; S72-I75 PolarHBondContact O-N 3.33Å; S73-I75 VanDerWaalsContact C-N 3.28Å; S73-I75 PolarHBondContact O-N 2.83Å; I75-N77 PolarHBondContact O-N 3.05Å; I75-L82 HydrophobicContact CG1-CD1 4.46Å
76	K	52.5	Low	62.1	Low	184 Å²	184	82.6 Å²	82.6	80%	0.8	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-80.4	-5.4	-175.8	-61.5	-177.1	-178.1	-179.2	0	115.7	C74	C74-K76 PolarHBondContact O-N 2.86Å
77	N	47.7	Very low	63.4	Low	106 Å²	106	74.9 Å²	74.9	57%	0.567	41%	0.411	S	S	*	.	S	Bend	trans	-125.3	149.7	-177.8	-66.5	-36.1	0	0	0	112.8	C74 I75	C74-N77 PolarHBondContact O-N 2.95Å; I75-N77 PolarHBondContact O-N 3.05Å
78	G	53.4	Low	64.3	Low	61 Å²	61	77.4 Å²	77.4	63%	0.629	42%	0.422	S	S	*	.			trans	-40.9	142.2	-175	0	0	0	0	0	115.5	D80 D81 L82	G78-D80 PolarHBondContact O-N 2.82Å; G78-D81 PolarHBondContact O-N 3.26Å; G78-L82 PolarHBondContact O-N 3.14Å
79	N	58.8	Low	64.9	Low	126 Å²	126	73.1 Å²	73.1	67%	0.674	40%	0.4	S	S	*	.	H	α-helix	trans	-42.9	-36	-165.3	-162.7	-20.9	0	0	0	116.5	S83	N79-S83 PolarHBondContact O-N 2.62Å; N79-S83 PolarHBondContact O-OG 2.98Å; N79-S83 VanDerWaalsContact O-OG 3.06Å
80	D	62.2	Low	65.9	Low	107 Å²	107	67.3 Å²	67.3	57%	0.572	37%	0.371	S	S	*	.	H	α-helix	trans	-72	-38.4	-179.7	-69.2	-50.7	0	0	0	113.7	G78 K84 F126	G78-D80 PolarHBondContact O-N 2.82Å; D80-K84 PolarHBondContact O-N 3.29Å; D80-F126 HydrophobicContact CB-CE2 4.15Å; D80-F126 WeakPolarHBondContact O-CE2 3.43Å; D80-F126 VanDerWaalsContact O-CZ 3.24Å; D80-F126 WeakPolarHBondContact O-CZ 3.48Å
81	D	63.1	Low	66.8	Low	85 Å²	85	63.3 Å²	63.3	46%	0.455	35%	0.351	S	S	.	.	H	α-helix	trans	-76.1	-38.5	179	-173.4	-106.5	0	0	0	111.3	G78 S83 K84 S85	G78-D81 PolarHBondContact O-N 3.26Å; D81-S83 VanDerWaalsContact C-N 3.27Å; D81-S83 PolarHBondContact O-N 3.49Å; D81-K84 PolarHBondContact O-N 3.03Å; D81-K84 VanDerWaalsContact O-N 3.17Å; D81-S85 WeakPolarHBondContact O-CB 3.39Å; D81-S85 PolarHBondContact O-N 2.93Å; D81-S85 PolarHBondContact O-OG 2.78Å
82	L	61.6	Low	67.3	Low	39 Å²	39	64.9 Å²	64.9	20%	0.204	36%	0.362	C	S	.	.	H	α-helix	trans	-55	-45.4	172	173.7	55.6	0	0	0	110.8	C74 I75 G78 K84 S85 T86	C74-L82 VanDerWaalsContact C-CD1 3.48Å; C74-L82 HydrophobicContact CB-CD1 3.38Å; C74-L82 WeakPolarHBondContact O-CD1 3.47Å; I75-L82 HydrophobicContact CG1-CD1 4.46Å; G78-L82 PolarHBondContact O-N 3.14Å; L82-K84 PolarHBondContact O-N 3.14Å; L82-S85 WeakPolarHBondContact CA-OG 3.21Å; L82-S85 PolarHBondContact O-OG 3.05Å; L82-T86 WeakPolarHBondContact O-CB 3.22Å; L82-T86 PolarHBondContact O-N 2.86Å; L82-T86 PolarHBondContact O-OG1 3.01Å
83	S	77.5	Confident	67.8	Low	19 Å²	19	63.3 Å²	63.3	13%	0.133	35%	0.351	C	S	.	.	H	α-helix	trans	-63.9	-42.2	178.2	-68.4	0	0	0	0	112.9	N79 D81 I87 F126	N79-S83 PolarHBondContact O-N 2.62Å; N79-S83 PolarHBondContact O-OG 2.98Å; N79-S83 VanDerWaalsContact O-OG 3.06Å; D81-S83 VanDerWaalsContact C-N 3.27Å; D81-S83 PolarHBondContact O-N 3.49Å; S83-I87 WeakPolarHBondContact O-CD1 3.36Å; S83-I87 VanDerWaalsContact O-CG1 3.29Å; S83-I87 WeakPolarHBondContact O-CG1 3.37Å; S83-I87 PolarHBondContact O-N 3.46Å; S83-F126 VanDerWaalsContact CB-CG 3.42Å
84	K	78.7	Confident	68.1	Low	127 Å²	127	60.5 Å²	60.5	55%	0.552	33%	0.33	S	S	*	.	H	α-helix	trans	-66.5	-48.1	179.1	-176.6	-175	173.2	-167.9	0	111.8	D80 D81 L82 T86 I87 E88 F126	D80-K84 PolarHBondContact O-N 3.29Å; D81-K84 PolarHBondContact O-N 3.03Å; D81-K84 VanDerWaalsContact O-N 3.17Å; L82-K84 PolarHBondContact O-N 3.14Å; K84-T86 VanDerWaalsContact C-N 3.35Å; K84-I87 PolarHBondContact O-N 3.22Å; K84-E88 PolarHBondContact O-N 3.25Å; K84-F126 HydrophobicContact CB-CE1 3.85Å; K84-F126 HydrophobicContact CB-CZ 3.98Å; K84-F126 HydrophobicContact CG-CE1 4.48Å
85	S	76.1	Confident	68.6	Low	24 Å²	24	62 Å²	62	17%	0.168	35%	0.35	C	S	.	.	H	α-helix	trans	-62.7	-42.6	177.1	54.2	0	0	0	0	111	C74 D81 L82 I87 E88 I89	C74-S85 PolarHBondContact SG-OG 3.46Å; D81-S85 WeakPolarHBondContact O-CB 3.39Å; D81-S85 PolarHBondContact O-N 2.93Å; D81-S85 PolarHBondContact O-OG 2.78Å; L82-S85 WeakPolarHBondContact CA-OG 3.21Å; L82-S85 PolarHBondContact O-OG 3.05Å; S85-I87 PolarHBondContact O-N 3.46Å; S85-E88 WeakPolarHBondContact O-CB 3.47Å; S85-E88 PolarHBondContact O-N 3.33Å; S85-E88 VanDerWaalsContact O-N 3.14Å; S85-I89 WeakPolarHBondContact O-CD1 3.18Å; S85-I89 VanDerWaalsContact O-CG1 3.28Å; S85-I89 WeakPolarHBondContact O-CG1 3.29Å; S85-I89 PolarHBondContact O-N 3.38Å
86	T	81.6	Confident	69	Low	23 Å²	23	65 Å²	65	14%	0.141	36%	0.358	C	S	.	.	H	α-helix	trans	-58.1	-45.9	173.9	-59.9	0	0	0	0	111.3	L71 L82 K84 E88 I89 M90	L71-T86 HydrophobicContact CD2-CG2 3.44Å; L71-T86 VanDerWaalsContact CD2-CG2 3.44Å; L82-T86 WeakPolarHBondContact O-CB 3.22Å; L82-T86 PolarHBondContact O-N 2.86Å; L82-T86 PolarHBondContact O-OG1 3.01Å; K84-T86 VanDerWaalsContact C-N 3.35Å; T86-E88 VanDerWaalsContact C-N 3.35Å; T86-E88 PolarHBondContact O-N 2.95Å; T86-I89 PolarHBondContact O-N 3.49Å; T86-M90 HydrophobicContact CG2-CE 3.4Å; T86-M90 HydrophobicContact CG2-SD 4.26Å; T86-M90 WeakPolarHBondContact O-CB 3.46Å; T86-M90 WeakPolarHBondContact O-CE 3.45Å; T86-M90 VanDerWaalsContact O-CG 3.26Å; T86-M90 WeakPolarHBondContact O-CG 3.36Å; T86-M90 PolarHBondContact O-N 3.08Å
87	I	81.4	Confident	69.9	Low	7 Å²	7	58.5 Å²	58.5	4%	0.036	33%	0.334	C	S	.	.	H	α-helix	trans	-64.7	-37.3	176.6	-69.9	157.8	0	0	0	112.1	S83 K84 S85 M90 A91 K117 L120 R121 T124 F126	S83-I87 WeakPolarHBondContact O-CD1 3.36Å; S83-I87 VanDerWaalsContact O-CG1 3.29Å; S83-I87 WeakPolarHBondContact O-CG1 3.37Å; S83-I87 PolarHBondContact O-N 3.46Å; K84-I87 PolarHBondContact O-N 3.22Å; S85-I87 PolarHBondContact O-N 3.46Å; I87-M90 HydrophobicContact CG1-CE 4.15Å; I87-A91 VanDerWaalsContact O-CB 3.31Å; I87-A91 WeakPolarHBondContact O-CB 3.26Å; I87-A91 PolarHBondContact O-N 3.4Å; I87-K117 HydrophobicContact CG2-CB 4.35Å; I87-K117 HydrophobicContact CG2-CG 4.41Å; I87-L120 HydrophobicContact CG1-CB 4.34Å; I87-L120 HydrophobicContact CG2-CB 4.11Å; I87-L120 HydrophobicContact CG2-CD1 4.46Å; I87-R121 HydrophobicContact CD1-CB 4.36Å; I87-R121 HydrophobicContact CD1-CG 3.46Å; I87-R121 VanDerWaalsContact CD1-CG 3.46Å; I87-T124 HydrophobicContact CG1-CG2 4.06Å; I87-F126 HydrophobicContact CD1-CB 3.81Å; I87-F126 HydrophobicContact CD1-CD1 3.52Å; I87-F126 HydrophobicContact CD1-CE1 4.49Å; I87-F126 HydrophobicContact CD1-CG 4.06Å
88	E	82.3	Confident	71.4	Confident	79 Å²	79	59 Å²	59	37%	0.369	35%	0.346	S	S	.	.	H	α-helix	trans	-63.5	-51.5	173.5	-93.8	-68.9	179.8	0	0	111.5	K84 S85 T86 M90 A91 T92 K117	K84-E88 PolarHBondContact O-N 3.25Å; S85-E88 WeakPolarHBondContact O-CB 3.47Å; S85-E88 PolarHBondContact O-N 3.33Å; S85-E88 VanDerWaalsContact O-N 3.14Å; T86-E88 VanDerWaalsContact C-N 3.35Å; T86-E88 PolarHBondContact O-N 2.95Å; E88-M90 VanDerWaalsContact C-N 3.29Å; E88-M90 PolarHBondContact O-N 3.18Å; E88-A91 CarbonylContact O-C 3.53Å; E88-A91 PolarHBondContact O-N 2.79Å; E88-T92 WeakPolarHBondContact O-CG2 3.35Å; E88-T92 PolarHBondContact O-N 2.58Å; E88-T92 PolarHBondContact O-OG1 2.84Å; E88-K117 IonicContact OE1-NZ 2.58Å; E88-K117 PolarHBondContact OE1-NZ 2.84Å; E88-K117 WeakPolarHBondContact OE2-CE 3.37Å; E88-K117 IonicContact OE2-NZ 2.79Å; E88-K117 PolarHBondContact OE2-NZ 3.14Å
89	I	77.4	Confident	72.7	Confident	16 Å²	16	61.4 Å²	61.4	8%	0.082	34%	0.344	C	S	.	.	H	α-helix	trans	-56.4	-47.7	178.6	-67.7	159.6	0	0	0	109.6	N67 L70 L71 C74 S85 T86 A91 T92 S93	N67-I89 HydrophobicContact CB-CG2 4.39Å; L70-I89 HydrophobicContact CB-CD1 3.77Å; L70-I89 HydrophobicContact CB-CG1 4.13Å; L70-I89 HydrophobicContact CB-CG2 4.14Å; L71-I89 HydrophobicContact CD2-CB 4.46Å; L71-I89 HydrophobicContact CD2-CD1 4.45Å; L71-I89 HydrophobicContact CD2-CG2 4.26Å; L71-I89 HydrophobicContact CG-CG2 4.16Å; C74-I89 VanDerWaalsContact SG-CD1 3.56Å; S85-I89 WeakPolarHBondContact O-CD1 3.18Å; S85-I89 VanDerWaalsContact O-CG1 3.28Å; S85-I89 WeakPolarHBondContact O-CG1 3.29Å; S85-I89 PolarHBondContact O-N 3.38Å; T86-I89 PolarHBondContact O-N 3.49Å; I89-A91 PolarHBondContact O-N 3.46Å; I89-T92 WeakPolarHBondContact CA-OG1 3.1Å; I89-T92 PolarHBondContact O-N 2.92Å; I89-T92 PolarHBondContact O-OG1 3.04Å; I89-T92 VanDerWaalsContact O-OG1 3.05Å; I89-S93 WeakPolarHBondContact O-CB 3.06Å; I89-S93 PolarHBondContact O-N 3.31Å; I89-S93 PolarHBondContact O-OG 3.47Å
90	M	78.1	Confident	74.1	Confident	1 Å²	1	56 Å²	56	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-58.2	-49.3	174.9	-73	-173.7	-72.2	0	0	110.6	T86 I87 E88 T92 S93 M94 I104 Y105 L120 T124	T86-M90 HydrophobicContact CG2-CE 3.4Å; T86-M90 HydrophobicContact CG2-SD 4.26Å; T86-M90 WeakPolarHBondContact O-CB 3.46Å; T86-M90 WeakPolarHBondContact O-CE 3.45Å; T86-M90 VanDerWaalsContact O-CG 3.26Å; T86-M90 WeakPolarHBondContact O-CG 3.36Å; T86-M90 PolarHBondContact O-N 3.08Å; I87-M90 HydrophobicContact CG1-CE 4.15Å; E88-M90 VanDerWaalsContact C-N 3.29Å; E88-M90 PolarHBondContact O-N 3.18Å; M90-T92 VanDerWaalsContact C-N 3.32Å; M90-T92 PolarHBondContact O-N 3.32Å; M90-S93 WeakPolarHBondContact CA-OG 3.24Å; M90-S93 PolarHBondContact O-OG 2.87Å; M90-M94 WeakPolarHBondContact O-CG 3.47Å; M90-M94 PolarHBondContact O-N 3.4Å; M90-I104 HydrophobicContact CG-CD1 4.25Å; M90-I104 HydrophobicContact SD-CD1 4.08Å; M90-Y105 HydrophobicContact CE-CE2 4.4Å; M90-Y105 HydrophobicContact SD-CE2 3.47Å; M90-Y105 WeakPolarHBondContact SD-CE2 3.28Å; M90-Y105 PolarHBondContact SD-OH 3.14Å; M90-Y105 VanDerWaalsContact SD-OH 3.33Å; M90-L120 HydrophobicContact CB-CD1 3.67Å; M90-L120 HydrophobicContact CB-CD2 4.34Å; M90-L120 HydrophobicContact SD-CD2 4.28Å; M90-T124 HydrophobicContact CE-CG2 3.62Å
91	A	79.2	Confident	75.3	Confident	2 Å²	2	52.4 Å²	52.4	2%	0.017	30%	0.298	C	S	.	.	H	α-helix	trans	-68.8	-24	-178.5	0	0	0	0	0	115.1	I87 E88 I89 K113 K117 L120	I87-A91 VanDerWaalsContact O-CB 3.31Å; I87-A91 WeakPolarHBondContact O-CB 3.26Å; I87-A91 PolarHBondContact O-N 3.4Å; E88-A91 CarbonylContact O-C 3.53Å; E88-A91 PolarHBondContact O-N 2.79Å; I89-A91 PolarHBondContact O-N 3.46Å; A91-K113 HydrophobicContact CB-CG 4.48Å; A91-K113 VanDerWaalsContact O-CE 3.28Å; A91-K113 WeakPolarHBondContact O-CE 3.41Å; A91-K117 HydrophobicContact CB-CD 4.19Å; A91-K117 HydrophobicContact CB-CG 3.43Å; A91-K117 VanDerWaalsContact CB-CG 3.43Å; A91-L120 HydrophobicContact CB-CD1 4.13Å
92	T	75.2	Confident	76.2	Confident	77 Å²	77	53.3 Å²	53.3	47%	0.472	30%	0.295	S	S	.	.	H	α-helix	trans	-89.7	-35.3	177.8	53.2	0	0	0	0	112.7	E88 I89 M90 M94 K113	E88-T92 WeakPolarHBondContact O-CG2 3.35Å; E88-T92 PolarHBondContact O-N 2.58Å; E88-T92 PolarHBondContact O-OG1 2.84Å; I89-T92 WeakPolarHBondContact CA-OG1 3.1Å; I89-T92 PolarHBondContact O-N 2.92Å; I89-T92 PolarHBondContact O-OG1 3.04Å; I89-T92 VanDerWaalsContact O-OG1 3.05Å; M90-T92 VanDerWaalsContact C-N 3.32Å; M90-T92 PolarHBondContact O-N 3.32Å; T92-M94 PolarHBondContact O-N 2.9Å; T92-K113 VanDerWaalsContact CG2-NZ 3.31Å
93	S	68.7	Low	77.2	Confident	27 Å²	27	51.5 Å²	51.5	19%	0.189	29%	0.285	C	S	.	.	H	α-helix	trans	-66.3	-23.1	179.2	61.3	0	0	0	0	113.3	M63 N67 I89 M90 G95	M63-S93 PolarHBondContact SD-OG 3.1Å; M63-S93 VanDerWaalsContact SD-OG 3.38Å; N67-S93 WeakPolarHBondContact ND2-CB 3.5Å; I89-S93 WeakPolarHBondContact O-CB 3.06Å; I89-S93 PolarHBondContact O-N 3.31Å; I89-S93 PolarHBondContact O-OG 3.47Å; M90-S93 WeakPolarHBondContact CA-OG 3.24Å; M90-S93 PolarHBondContact O-OG 2.87Å; S93-G95 PolarHBondContact O-N 2.66Å
94	M	66.2	Low	77.2	Confident	19 Å²	19	52.6 Å²	52.6	9%	0.094	29%	0.289	C	S	.	.	S	Bend	trans	-77.2	119.7	-175.5	-68.6	160.8	76.2	0	0	110.6	M90 T92 K96 R102 C103 I104 L116 L120	M90-M94 WeakPolarHBondContact O-CG 3.47Å; M90-M94 PolarHBondContact O-N 3.4Å; T92-M94 PolarHBondContact O-N 2.9Å; M94-K96 PolarHBondContact O-N 3.28Å; M94-R102 WeakPolarHBondContact CE-O 3.34Å; M94-C103 VanDerWaalsContact CE-CA 3.44Å; M94-I104 HydrophobicContact CE-CG2 4.12Å; M94-I104 HydrophobicContact CG-CG2 3.95Å; M94-I104 HydrophobicContact SD-CG2 4.17Å; M94-L116 HydrophobicContact CE-CD1 3.7Å; M94-L116 HydrophobicContact CE-CD2 3.33Å; M94-L116 HydrophobicContact CE-CG 4.09Å; M94-L116 HydrophobicContact SD-CD1 4.36Å; M94-L116 HydrophobicContact SD-CD2 3.51Å; M94-L116 VanDerWaalsContact SD-CD2 3.51Å; M94-L116 HydrophobicContact SD-CG 4.34Å; M94-L120 HydrophobicContact SD-CD1 4.34Å
95	G	63.8	Low	77.2	Confident	56 Å²	56	52.2 Å²	52.2	58%	0.577	29%	0.285	S	S	*	.			trans	-54.8	120.1	171.9	0	0	0	0	0	109.8	S93 T97	S93-G95 PolarHBondContact O-N 2.66Å; G95-T97 PolarHBondContact O-N 3.25Å
96	K	62.7	Low	77.6	Confident	180 Å²	180	53.8 Å²	53.8	78%	0.783	30%	0.295	S	S	*	.			trans	-54.7	109.6	162.5	-179.3	-174.7	-178.3	-173.2	0	106.6	M94	M94-K96 PolarHBondContact O-N 3.28Å
97	T	72.8	Confident	77.7	Confident	47 Å²	47	54.1 Å²	54.1	29%	0.288	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-81.5	160.7	167.8	62.1	0	0	0	0	108	G95 D99 G100	G95-T97 PolarHBondContact O-N 3.25Å; T97-D99 PolarHBondContact O-N 3.26Å; T97-D99 VanDerWaalsContact O-N 3.14Å; T97-G100 PolarHBondContact N-O 3.08Å; T97-G100 PolarHBondContact O-N 2.73Å; T97-G100 VanDerWaalsContact O-N 3.08Å; T97-G100 PolarHBondContact OG1-N 2.84Å; T97-G100 PolarHBondContact OG1-O 3.13Å; T97-G100 VanDerWaalsContact OG1-O 3.08Å
98	S	78.4	Confident	77.9	Confident	118 Å²	118	59.4 Å²	59.4	83%	0.825	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	-37.5	167.7	49.1	0	0	0	0	111.3	G100	S98-G100 VanDerWaalsContact C-N 3.33Å; S98-G100 PolarHBondContact O-N 2.81Å
99	D	81	Confident	78.2	Confident	111 Å²	111	59.5 Å²	59.5	59%	0.594	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	2	-173.4	-42.2	-34.6	0	0	0	113.5	T97 L109	T97-D99 PolarHBondContact O-N 3.26Å; T97-D99 VanDerWaalsContact O-N 3.14Å; D99-L109 HydrophobicContact CB-CD1 4.32Å
100	G	89.2	Confident	78.7	Confident	12 Å²	12	61.6 Å²	61.6	12%	0.124	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	122.3	-141.2	174.6	0	0	0	0	0	115.6	T97 S98	T97-G100 PolarHBondContact N-O 3.08Å; T97-G100 PolarHBondContact O-N 2.73Å; T97-G100 VanDerWaalsContact O-N 3.08Å; T97-G100 PolarHBondContact OG1-N 2.84Å; T97-G100 PolarHBondContact OG1-O 3.13Å; T97-G100 VanDerWaalsContact OG1-O 3.08Å; S98-G100 VanDerWaalsContact C-N 3.33Å; S98-G100 PolarHBondContact O-N 2.81Å
101	H	85.7	Confident	79.3	Confident	32 Å²	32	66.6 Å²	66.6	15%	0.148	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	109.6	-175.2	-63.9	-79.9	0	0	0	110.7	Y110 R112 K113 L116	H101-Y110 WeakPolarHBondContact CB-O 3.27Å; H101-Y110 PolarHBondContact N-O 3.18Å; H101-Y110 PolarHBondContact O-N 3.46Å; H101-R112 VanDerWaalsContact CD2-C 3.46Å; H101-K113 PolarHBondContact CD2-N 2.82Å; H101-K113 PolarHBondContact NE2-N 2.98Å; H101-L116 HydrophobicContact CB-CB 4.09Å; H101-L116 HydrophobicContact CB-CD2 3.7Å; H101-L116 HydrophobicContact CB-CG 4.47Å
102	R	83.5	Confident	79.8	Confident	104 Å²	104	75.1 Å²	75.1	39%	0.392	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	111.6	-169.7	178.7	-168	-70	-91.2	-2.8	113.9	M94 I104 K108 L109	M94-R102 WeakPolarHBondContact CE-O 3.34Å; R102-I104 PolarHBondContact O-N 3.24Å; R102-K108 CarbonylContact C-O 3.58Å; R102-K108 WeakPolarHBondContact CA-O 3.5Å; R102-L109 HydrophobicContact CB-CD2 3.57Å; R102-L109 HydrophobicContact CG-CD2 4.15Å
103	C	82.7	Confident	80.4	Confident	0 Å²	0	75 Å²	75	0%	0	40%	0.396	C	S	.	.			trans	-51.3	132.1	175.1	-174.4	0	0	0	0	114.4	M94 Y105 G107 K108 L116 H119	M94-C103 VanDerWaalsContact CE-CA 3.44Å; C103-Y105 PolarHBondContact SG-N 3.35Å; C103-G107 WeakPolarHBondContact O-CA 2.62Å; C103-G107 PolarHBondContact O-N 2.85Å; C103-K108 HydrophobicContact CB-CB 4.46Å; C103-K108 PolarHBondContact N-O 3.14Å; C103-L116 HydrophobicContact CB-CD1 4.01Å; C103-H119 WeakPolarHBondContact CB-NE2 3.17Å; C103-H119 VanDerWaalsContact SG-CD2 3.53Å; C103-H119 PolarHBondContact SG-NE2 2.77Å
104	I	76.6	Confident	81.3	Confident	42 Å²	42	79.1 Å²	79.1	22%	0.215	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-29.5	179	65.8	177.4	0	0	0	114.3	I61 M63 M90 M94 R102	I61-I104 HydrophobicContact CD1-CB 4.47Å; I61-I104 HydrophobicContact CD1-CG2 4.45Å; M63-I104 HydrophobicContact CE-CD1 3.55Å; M63-I104 HydrophobicContact CE-CG2 4.41Å; M90-I104 HydrophobicContact CG-CD1 4.25Å; M90-I104 HydrophobicContact SD-CD1 4.08Å; M94-I104 HydrophobicContact CE-CG2 4.12Å; M94-I104 HydrophobicContact CG-CG2 3.95Å; M94-I104 HydrophobicContact SD-CG2 4.17Å; R102-I104 PolarHBondContact O-N 3.24Å
105	Y	78.6	Confident	82.4	Confident	120 Å²	120	79.3 Å²	79.3	47%	0.471	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-26.1	-174.6	-64.5	-68.8	0	0	0	113.5	M90 C103 L120 H123	M90-Y105 HydrophobicContact CE-CE2 4.4Å; M90-Y105 HydrophobicContact SD-CE2 3.47Å; M90-Y105 WeakPolarHBondContact SD-CE2 3.28Å; M90-Y105 PolarHBondContact SD-OH 3.14Å; M90-Y105 VanDerWaalsContact SD-OH 3.33Å; C103-Y105 PolarHBondContact SG-N 3.35Å; Y105-L120 HydrophobicContact CD2-CD2 4.23Å; Y105-L120 HydrophobicContact CE2-CD2 4.32Å; Y105-H123 WeakPolarHBondContact CB-CE1 3.42Å; Y105-H123 WeakPolarHBondContact CB-ND1 3.48Å; Y105-H123 HydrophobicContact CD2-CB 3.67Å; Y105-H123 AromaticContact CD2-CD2 3.69Å; Y105-H123 AromaticContact CD2-CG 3.52Å; Y105-H123 HydrophobicContact CE2-CB 3.97Å; Y105-H123 HydrophobicContact CG-CB 4.28Å; Y105-H123 AromaticContact CG-CG 3.86Å; Y105-H123 AromaticContact CG-ND1 3.89Å
106	C	84.1	Confident	83.5	Confident	56 Å²	56	76.6 Å²	76.6	38%	0.378	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.2	4	-175.9	68.5	0	0	0	0	114.7	K108 H119	C106-K108 PolarHBondContact O-N 2.71Å; C106-K108 VanDerWaalsContact O-N 3.08Å; C106-K108 VanDerWaalsContact SG-CG 3.58Å; C106-H119 VanDerWaalsContact SG-CE1 3.55Å; C106-H119 PolarHBondContact SG-NE2 2.81Å
107	G	83.2	Confident	84.8	Confident	31 Å²	31	70 Å²	70	32%	0.32	36%	0.359	S	S	.	.			trans	70.4	0.8	176.7	0	0	0	0	0	115.9	C103 L109	C103-G107 WeakPolarHBondContact O-CA 2.62Å; C103-G107 PolarHBondContact O-N 2.85Å; G107-L109 PolarHBondContact O-N 2.93Å
108	K	85.7	Confident	85.5	Confident	118 Å²	118	69.4 Å²	69.4	51%	0.513	35%	0.353	S	S	.	.			trans	-63.3	132.5	-178.8	-72.7	-179.6	-173.9	-179.9	0	112.1	R102 C103 C106 Y110	R102-K108 CarbonylContact C-O 3.58Å; R102-K108 WeakPolarHBondContact CA-O 3.5Å; C103-K108 HydrophobicContact CB-CB 4.46Å; C103-K108 PolarHBondContact N-O 3.14Å; C106-K108 PolarHBondContact O-N 2.71Å; C106-K108 VanDerWaalsContact O-N 3.08Å; C106-K108 VanDerWaalsContact SG-CG 3.58Å; K108-Y110 HydrophobicContact CB-CE2 3.73Å; K108-Y110 WeakPolarHBondContact O-CD2 3.41Å
109	L	89.4	Confident	85.9	Confident	81 Å²	81	64.5 Å²	64.5	42%	0.424	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	138	177.1	-70	167.2	0	0	0	111.7	D99 R102 G107	D99-L109 HydrophobicContact CB-CD1 4.32Å; R102-L109 HydrophobicContact CB-CD2 3.57Å; R102-L109 HydrophobicContact CG-CD2 4.15Å; G107-L109 PolarHBondContact O-N 2.93Å
110	Y	88.3	Confident	86.1	Confident	59 Å²	59	59.2 Å²	59.2	23%	0.231	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	131.6	176.3	-66.3	-89.9	0	0	0	109.9	H101 K108 R112 L116 H119	H101-Y110 WeakPolarHBondContact CB-O 3.27Å; H101-Y110 PolarHBondContact N-O 3.18Å; H101-Y110 PolarHBondContact O-N 3.46Å; K108-Y110 HydrophobicContact CB-CE2 3.73Å; K108-Y110 WeakPolarHBondContact O-CD2 3.41Å; Y110-R112 PolarHBondContact O-N 2.73Å; Y110-L116 HydrophobicContact CD2-CB 4.08Å; Y110-L116 HydrophobicContact CD2-CD1 3.95Å; Y110-L116 HydrophobicContact CE2-CD1 4.31Å; Y110-L116 HydrophobicContact CG-CB 4.17Å; Y110-H119 HydrophobicContact CE1-CB 3.93Å; Y110-H119 HydrophobicContact CE2-CB 3.8Å; Y110-H119 AromaticContact CE2-CD2 3.31Å; Y110-H119 WeakPolarHBondContact CE2-CD2 3.11Å; Y110-H119 AromaticContact CE2-CG 3.63Å; Y110-H119 AromaticContact CZ-CD2 3.61Å; Y110-H119 AromaticContact CZ-CG 3.41Å; Y110-H119 VanDerWaalsContact CZ-CG 3.41Å; Y110-H119 VanDerWaalsContact OH-CB 3.3Å; Y110-H119 WeakPolarHBondContact OH-CB 3.39Å; Y110-H119 PolarHBondContact OH-CD2 3.45Å; Y110-H119 PolarHBondContact OH-ND1 2.69Å
111	S	90.9	Very high	85.9	Confident	107 Å²	107	61.1 Å²	61.1	75%	0.748	29%	0.293	S	S	*	.	S	Bend	trans	-66.3	-21.7	177.9	55.6	0	0	0	0	113.9
112	R	89	Confident	85.8	Confident	180 Å²	180	64.4 Å²	64.4	68%	0.679	32%	0.315	S	S	*	.	S	Bend	trans	-132.3	138.2	-177.3	-69.4	-178.6	-80.6	169.4	-7.9	111.3	H101 Y110 Y114 G115 L116	H101-R112 VanDerWaalsContact CD2-C 3.46Å; Y110-R112 PolarHBondContact O-N 2.73Å; R112-Y114 PolarHBondContact O-N 3.04Å; R112-Y114 VanDerWaalsContact O-N 3.14Å; R112-G115 PolarHBondContact O-N 3.38Å; R112-L116 PolarHBondContact O-N 3.04Å
113	K	87.1	Confident	85.7	Confident	74 Å²	74	63 Å²	63	32%	0.322	31%	0.313	S	S	.	.	H	α-helix	trans	-51.5	-37.4	175.4	-170.8	176.7	-177.7	178.2	0	112.9	A91 T92 H101 G115 L116 K117	A91-K113 HydrophobicContact CB-CG 4.48Å; A91-K113 VanDerWaalsContact O-CE 3.28Å; A91-K113 WeakPolarHBondContact O-CE 3.41Å; T92-K113 VanDerWaalsContact CG2-NZ 3.31Å; H101-K113 PolarHBondContact CD2-N 2.82Å; H101-K113 PolarHBondContact NE2-N 2.98Å; K113-G115 PolarHBondContact O-N 3.41Å; K113-L116 PolarHBondContact O-N 3.27Å; K113-K117 PolarHBondContact O-N 3.02Å
114	Y	88.7	Confident	85.6	Confident	115 Å²	115	65.2 Å²	65.2	45%	0.451	33%	0.326	S	S	.	.	H	α-helix	trans	-60.8	-42.5	176.3	176.8	-103.3	0	0	0	113.1	R112 L116 K117 I118 P141	R112-Y114 PolarHBondContact O-N 3.04Å; R112-Y114 VanDerWaalsContact O-N 3.14Å; Y114-L116 VanDerWaalsContact C-N 3.33Å; Y114-L116 PolarHBondContact O-N 2.92Å; Y114-K117 PolarHBondContact O-N 2.93Å; Y114-I118 HydrophobicContact CD1-CD1 3.8Å; Y114-I118 HydrophobicContact CE1-CD1 3.17Å; Y114-I118 HydrophobicContact CE1-CG1 4.24Å; Y114-I118 HydrophobicContact CE2-CD1 4.09Å; Y114-I118 HydrophobicContact CE2-CG1 4.39Å; Y114-I118 HydrophobicContact CG-CD1 4.49Å; Y114-I118 PolarHBondContact O-N 3.32Å; Y114-P141 WeakPolarHBondContact OH-CD 3.5Å; Y114-P141 WeakPolarHBondContact OH-CG 3.47Å
115	G	89.4	Confident	85.8	Confident	22 Å²	22	65.6 Å²	65.6	23%	0.227	34%	0.34	C	S	.	.	H	α-helix	trans	-64.3	-41.1	177.7	0	0	0	0	0	111.6	R112 K113 I118 H119	R112-G115 PolarHBondContact O-N 3.38Å; K113-G115 PolarHBondContact O-N 3.41Å; G115-I118 PolarHBondContact O-N 3.46Å; G115-H119 WeakPolarHBondContact O-CB 3.31Å; G115-H119 PolarHBondContact O-N 3.31Å
116	L	87.4	Confident	85.9	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62	-45.8	172.9	173.5	64.8	0	0	0	111.9	M94 H101 C103 Y110 R112 K113 Y114 I118 H119 L120	M94-L116 HydrophobicContact CE-CD1 3.7Å; M94-L116 HydrophobicContact CE-CD2 3.33Å; M94-L116 HydrophobicContact CE-CG 4.09Å; M94-L116 HydrophobicContact SD-CD1 4.36Å; M94-L116 HydrophobicContact SD-CD2 3.51Å; M94-L116 VanDerWaalsContact SD-CD2 3.51Å; M94-L116 HydrophobicContact SD-CG 4.34Å; H101-L116 HydrophobicContact CB-CB 4.09Å; H101-L116 HydrophobicContact CB-CD2 3.7Å; H101-L116 HydrophobicContact CB-CG 4.47Å; C103-L116 HydrophobicContact CB-CD1 4.01Å; Y110-L116 HydrophobicContact CD2-CB 4.08Å; Y110-L116 HydrophobicContact CD2-CD1 3.95Å; Y110-L116 HydrophobicContact CE2-CD1 4.31Å; Y110-L116 HydrophobicContact CG-CB 4.17Å; R112-L116 PolarHBondContact O-N 3.04Å; K113-L116 PolarHBondContact O-N 3.27Å; Y114-L116 VanDerWaalsContact C-N 3.33Å; Y114-L116 PolarHBondContact O-N 2.92Å; L116-I118 VanDerWaalsContact C-N 3.33Å; L116-I118 PolarHBondContact O-N 3.27Å; L116-H119 CarbonylContact O-C 3.47Å; L116-H119 WeakPolarHBondContact O-CA 3.3Å; L116-H119 WeakPolarHBondContact O-CB 2.99Å; L116-H119 PolarHBondContact O-N 3.18Å; L116-L120 HydrophobicContact CD1-CD1 4.24Å; L116-L120 HydrophobicContact CD1-CD2 4.4Å; L116-L120 HydrophobicContact CD1-CG 4.02Å; L116-L120 HydrophobicContact CG-CD1 4.02Å; L116-L120 HydrophobicContact CG-CG 4.28Å; L116-L120 WeakPolarHBondContact O-CG 3.28Å; L116-L120 PolarHBondContact O-N 2.92Å
117	K	88.2	Confident	85.9	Confident	42 Å²	42	63.6 Å²	63.6	18%	0.183	33%	0.328	C	S	.	.	H	α-helix	trans	-57.2	-44.1	176.9	-78.3	-178.6	178.8	-177.1	0	112.5	I87 E88 A91 K113 Y114 H119 L120 R121	I87-K117 HydrophobicContact CG2-CB 4.35Å; I87-K117 HydrophobicContact CG2-CG 4.41Å; E88-K117 IonicContact OE1-NZ 2.58Å; E88-K117 PolarHBondContact OE1-NZ 2.84Å; E88-K117 WeakPolarHBondContact OE2-CE 3.37Å; E88-K117 IonicContact OE2-NZ 2.79Å; E88-K117 PolarHBondContact OE2-NZ 3.14Å; A91-K117 HydrophobicContact CB-CD 4.19Å; A91-K117 HydrophobicContact CB-CG 3.43Å; A91-K117 VanDerWaalsContact CB-CG 3.43Å; K113-K117 PolarHBondContact O-N 3.02Å; Y114-K117 PolarHBondContact O-N 2.93Å; K117-H119 VanDerWaalsContact C-N 3.3Å; K117-L120 PolarHBondContact O-N 3.41Å; K117-R121 PolarHBondContact O-N 3.07Å
118	I	88.3	Confident	85.9	Confident	34 Å²	34	64.7 Å²	64.7	17%	0.174	33%	0.329	C	S	.	.	H	α-helix	trans	-62.8	-41.8	174.8	-68.3	165.6	0	0	0	110.5	Y114 G115 L116 R121 D140	Y114-I118 HydrophobicContact CD1-CD1 3.8Å; Y114-I118 HydrophobicContact CE1-CD1 3.17Å; Y114-I118 HydrophobicContact CE1-CG1 4.24Å; Y114-I118 HydrophobicContact CE2-CD1 4.09Å; Y114-I118 HydrophobicContact CE2-CG1 4.39Å; Y114-I118 HydrophobicContact CG-CD1 4.49Å; Y114-I118 PolarHBondContact O-N 3.32Å; G115-I118 PolarHBondContact O-N 3.46Å; L116-I118 VanDerWaalsContact C-N 3.33Å; L116-I118 PolarHBondContact O-N 3.27Å; I118-R121 VanDerWaalsContact O-CB 3.3Å; I118-R121 WeakPolarHBondContact O-CB 3.43Å; I118-R121 PolarHBondContact O-N 3.45Å; I118-D140 HydrophobicContact CG2-CB 3.92Å
119	H	86.4	Confident	86	Confident	15 Å²	15	61.5 Å²	61.5	7%	0.069	32%	0.317	C	S	.	.	H	α-helix	trans	-66.2	-40.2	179.1	169.5	53.9	0	0	0	113	C103 C106 Y110 G115 L116 K117 R121 T122 H123	C103-H119 WeakPolarHBondContact CB-NE2 3.17Å; C103-H119 VanDerWaalsContact SG-CD2 3.53Å; C103-H119 PolarHBondContact SG-NE2 2.77Å; C106-H119 VanDerWaalsContact SG-CE1 3.55Å; C106-H119 PolarHBondContact SG-NE2 2.81Å; Y110-H119 HydrophobicContact CE1-CB 3.93Å; Y110-H119 HydrophobicContact CE2-CB 3.8Å; Y110-H119 AromaticContact CE2-CD2 3.31Å; Y110-H119 WeakPolarHBondContact CE2-CD2 3.11Å; Y110-H119 AromaticContact CE2-CG 3.63Å; Y110-H119 AromaticContact CZ-CD2 3.61Å; Y110-H119 AromaticContact CZ-CG 3.41Å; Y110-H119 VanDerWaalsContact CZ-CG 3.41Å; Y110-H119 VanDerWaalsContact OH-CB 3.3Å; Y110-H119 WeakPolarHBondContact OH-CB 3.39Å; Y110-H119 PolarHBondContact OH-CD2 3.45Å; Y110-H119 PolarHBondContact OH-ND1 2.69Å; G115-H119 WeakPolarHBondContact O-CB 3.31Å; G115-H119 PolarHBondContact O-N 3.31Å; L116-H119 CarbonylContact O-C 3.47Å; L116-H119 WeakPolarHBondContact O-CA 3.3Å; L116-H119 WeakPolarHBondContact O-CB 2.99Å; L116-H119 PolarHBondContact O-N 3.18Å; K117-H119 VanDerWaalsContact C-N 3.3Å; H119-R121 PolarHBondContact O-N 2.84Å; H119-R121 VanDerWaalsContact O-N 3.14Å; H119-T122 PolarHBondContact ND1-OG1 3.43Å; H119-T122 WeakPolarHBondContact O-CA 3.29Å; H119-T122 WeakPolarHBondContact O-CB 3.16Å; H119-T122 PolarHBondContact O-N 3.29Å; H119-T122 PolarHBondContact O-OG1 3.08Å; H119-H123 AromaticContact CE1-CD2 3.74Å; H119-H123 AromaticContact CE1-NE2 3.25Å; H119-H123 PolarHBondContact CE1-NE2 3.45Å; H119-H123 AromaticContact NE2-CD2 3.73Å; H119-H123 AromaticContact NE2-NE2 3.28Å; H119-H123 PolarHBondContact NE2-NE2 3.48Å
120	L	85.4	Confident	85.9	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-58.9	-29.7	177.5	-71.8	168.9	0	0	0	112.2	I87 M90 A91 M94 Y105 L116 K117 T122 H123 T124	I87-L120 HydrophobicContact CG1-CB 4.34Å; I87-L120 HydrophobicContact CG2-CB 4.11Å; I87-L120 HydrophobicContact CG2-CD1 4.46Å; M90-L120 HydrophobicContact CB-CD1 3.67Å; M90-L120 HydrophobicContact CB-CD2 4.34Å; M90-L120 HydrophobicContact SD-CD2 4.28Å; A91-L120 HydrophobicContact CB-CD1 4.13Å; M94-L120 HydrophobicContact SD-CD1 4.34Å; Y105-L120 HydrophobicContact CD2-CD2 4.23Å; Y105-L120 HydrophobicContact CE2-CD2 4.32Å; L116-L120 HydrophobicContact CD1-CD1 4.24Å; L116-L120 HydrophobicContact CD1-CD2 4.4Å; L116-L120 HydrophobicContact CD1-CG 4.02Å; L116-L120 HydrophobicContact CG-CD1 4.02Å; L116-L120 HydrophobicContact CG-CG 4.28Å; L116-L120 WeakPolarHBondContact O-CG 3.28Å; L116-L120 PolarHBondContact O-N 2.92Å; K117-L120 PolarHBondContact O-N 3.41Å; L120-T122 PolarHBondContact O-N 2.79Å; L120-H123 WeakPolarHBondContact O-CB 3.36Å; L120-H123 PolarHBondContact O-N 3.45Å; L120-T124 PolarHBondContact O-N 3.49Å; L120-T124 VanDerWaalsContact O-N 3.08Å; L120-T124 PolarHBondContact O-OG1 3.29Å
121	R	86.1	Confident	85.8	Confident	52 Å²	52	61.7 Å²	61.7	20%	0.196	31%	0.313	C	S	.	.	H	α-helix	trans	-60.7	-24.3	171.2	-66	169.3	-175.3	170.4	0.3	113.5	I87 K117 I118 H119 H123 G125 F126 G139	I87-R121 HydrophobicContact CD1-CB 4.36Å; I87-R121 HydrophobicContact CD1-CG 3.46Å; I87-R121 VanDerWaalsContact CD1-CG 3.46Å; K117-R121 PolarHBondContact O-N 3.07Å; I118-R121 VanDerWaalsContact O-CB 3.3Å; I118-R121 WeakPolarHBondContact O-CB 3.43Å; I118-R121 PolarHBondContact O-N 3.45Å; H119-R121 PolarHBondContact O-N 2.84Å; H119-R121 VanDerWaalsContact O-N 3.14Å; R121-H123 VanDerWaalsContact C-N 3.31Å; R121-G125 CarbonylContact O-C 3.55Å; R121-G125 WeakPolarHBondContact O-CA 3.3Å; R121-G125 PolarHBondContact O-N 3.33Å; R121-F126 WeakPolarHBondContact CB-O 3.45Å; R121-F126 HydrophobicContact CG-CD1 4.48Å; R121-F126 PolarHBondContact O-N 3.14Å; R121-G139 WeakPolarHBondContact CD-O 3.38Å; R121-G139 PolarHBondContact NH1-O 3.07Å
122	T	83.2	Confident	85.6	Confident	100 Å²	100	66 Å²	66	61%	0.613	32%	0.318	S	S	*	.	H	α-helix	trans	-74.7	-23.6	175	70.9	0	0	0	0	112.6	H119 L120	H119-T122 PolarHBondContact ND1-OG1 3.43Å; H119-T122 WeakPolarHBondContact O-CA 3.29Å; H119-T122 WeakPolarHBondContact O-CB 3.16Å; H119-T122 PolarHBondContact O-N 3.29Å; H119-T122 PolarHBondContact O-OG1 3.08Å; L120-T122 PolarHBondContact O-N 2.79Å
123	H	81.6	Confident	85.4	Confident	76 Å²	76	63 Å²	63	35%	0.352	31%	0.314	S	S	.	.	H	α-helix	trans	-84.5	-43.7	174.1	-70.8	-70.1	0	0	0	111.6	Y105 H119 L120 R121 G125	Y105-H123 WeakPolarHBondContact CB-CE1 3.42Å; Y105-H123 WeakPolarHBondContact CB-ND1 3.48Å; Y105-H123 HydrophobicContact CD2-CB 3.67Å; Y105-H123 AromaticContact CD2-CD2 3.69Å; Y105-H123 AromaticContact CD2-CG 3.52Å; Y105-H123 HydrophobicContact CE2-CB 3.97Å; Y105-H123 HydrophobicContact CG-CB 4.28Å; Y105-H123 AromaticContact CG-CG 3.86Å; Y105-H123 AromaticContact CG-ND1 3.89Å; H119-H123 AromaticContact CE1-CD2 3.74Å; H119-H123 AromaticContact CE1-NE2 3.25Å; H119-H123 PolarHBondContact CE1-NE2 3.45Å; H119-H123 AromaticContact NE2-CD2 3.73Å; H119-H123 AromaticContact NE2-NE2 3.28Å; H119-H123 PolarHBondContact NE2-NE2 3.48Å; L120-H123 WeakPolarHBondContact O-CB 3.36Å; L120-H123 PolarHBondContact O-N 3.45Å; R121-H123 VanDerWaalsContact C-N 3.31Å; H123-G125 VanDerWaalsContact C-N 3.31Å; H123-G125 PolarHBondContact O-N 3Å
124	T	79.5	Confident	85.3	Confident	46 Å²	46	62.3 Å²	62.3	28%	0.282	32%	0.318	S	S	.	.	H	α-helix	trans	-78.7	-15.4	179.7	62.6	0	0	0	0	113.4	I87 M90 L120 F126	I87-T124 HydrophobicContact CG1-CG2 4.06Å; M90-T124 HydrophobicContact CE-CG2 3.62Å; L120-T124 PolarHBondContact O-N 3.49Å; L120-T124 VanDerWaalsContact O-N 3.08Å; L120-T124 PolarHBondContact O-OG1 3.29Å; T124-F126 PolarHBondContact O-N 2.95Å; T124-F126 VanDerWaalsContact OG1-CB 3.27Å; T124-F126 WeakPolarHBondContact OG1-CB 3.31Å; T124-F126 PolarHBondContact OG1-N 3.25Å
125	G	80.5	Confident	85.3	Confident	50 Å²	50	62.4 Å²	62.4	52%	0.515	32%	0.322	S	S	.	.			trans	71.4	2.5	-171.8	0	0	0	0	0	113.9	R121 H123 K127	R121-G125 CarbonylContact O-C 3.55Å; R121-G125 WeakPolarHBondContact O-CA 3.3Å; R121-G125 PolarHBondContact O-N 3.33Å; H123-G125 VanDerWaalsContact C-N 3.31Å; H123-G125 PolarHBondContact O-N 3Å; G125-K127 PolarHBondContact O-N 3.5Å
126	F	81.8	Confident	85.2	Confident	18 Å²	18	69 Å²	69	8%	0.079	34%	0.34	C	S	.	.			trans	-69.2	127.8	-174.4	-176.4	-120.8	0	0	0	112.6	D80 S83 K84 I87 R121 T124 P128	D80-F126 HydrophobicContact CB-CE2 4.15Å; D80-F126 WeakPolarHBondContact O-CE2 3.43Å; D80-F126 VanDerWaalsContact O-CZ 3.24Å; D80-F126 WeakPolarHBondContact O-CZ 3.48Å; S83-F126 VanDerWaalsContact CB-CG 3.42Å; K84-F126 HydrophobicContact CB-CE1 3.85Å; K84-F126 HydrophobicContact CB-CZ 3.98Å; K84-F126 HydrophobicContact CG-CE1 4.48Å; I87-F126 HydrophobicContact CD1-CB 3.81Å; I87-F126 HydrophobicContact CD1-CD1 3.52Å; I87-F126 HydrophobicContact CD1-CE1 4.49Å; I87-F126 HydrophobicContact CD1-CG 4.06Å; R121-F126 WeakPolarHBondContact CB-O 3.45Å; R121-F126 HydrophobicContact CG-CD1 4.48Å; R121-F126 PolarHBondContact O-N 3.14Å; T124-F126 PolarHBondContact O-N 2.95Å; T124-F126 VanDerWaalsContact OG1-CB 3.27Å; T124-F126 WeakPolarHBondContact OG1-CB 3.31Å; T124-F126 PolarHBondContact OG1-N 3.25Å; F126-P128 HydrophobicContact CD1-CB 4.39Å; F126-P128 HydrophobicContact CD1-CG 4.05Å; F126-P128 HydrophobicContact CE1-CB 3.6Å; F126-P128 HydrophobicContact CE1-CG 3.65Å; F126-P128 HydrophobicContact CZ-CB 3.73Å; F126-P128 HydrophobicContact CZ-CG 4.28Å
127	K	84.3	Confident	85.2	Confident	115 Å²	115	70.2 Å²	70.2	50%	0.5	35%	0.351	S	S	.	.			trans	-130	83.8	-177	-67.7	171.3	-172.4	173	0	109.9	G125 L129 A137 F138	G125-K127 PolarHBondContact O-N 3.5Å; K127-L129 PolarHBondContact O-N 2.79Å; K127-A137 HydrophobicContact CB-CB 3.64Å; K127-A137 HydrophobicContact CD-CB 4.15Å; K127-F138 CarbonylContact C-O 3.56Å; K127-F138 WeakPolarHBondContact CA-O 3.42Å
128	P	82.1	Confident	85.1	Confident	54 Å²	54	69.5 Å²	69.5	35%	0.351	35%	0.348	S	S	.	.			trans	-70.6	-16.7	-174.4	23.5	-28.8	0	0	0	113.7	F126	F126-P128 HydrophobicContact CD1-CB 4.39Å; F126-P128 HydrophobicContact CD1-CG 4.05Å; F126-P128 HydrophobicContact CE1-CB 3.6Å; F126-P128 HydrophobicContact CE1-CG 3.65Å; F126-P128 HydrophobicContact CZ-CB 3.73Å; F126-P128 HydrophobicContact CZ-CG 4.28Å
129	L	87.7	Confident	85	Confident	51 Å²	51	68.9 Å²	68.9	27%	0.267	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	106	-169.2	-60.6	176	0	0	0	110.3	K127 A137 F138 P141 L144	K127-L129 PolarHBondContact O-N 2.79Å; L129-A137 CarbonylContact O-C 3.55Å; L129-A137 WeakPolarHBondContact O-CA 3.43Å; L129-F138 HydrophobicContact CB-CB 4.4Å; L129-F138 WeakPolarHBondContact CB-O 3.05Å; L129-F138 PolarHBondContact N-O 3.36Å; L129-F138 PolarHBondContact O-N 3.06Å; L129-P141 VanDerWaalsContact CD1-CA 3.4Å; L129-P141 HydrophobicContact CD1-CB 3.72Å; L129-P141 HydrophobicContact CD1-CG 4.24Å; L129-L144 HydrophobicContact CB-CB 4.49Å; L129-L144 HydrophobicContact CB-CD2 3.9Å
130	R	88.8	Confident	85.1	Confident	141 Å²	141	69.2 Å²	69.2	53%	0.532	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	139.7	177	-64.3	-179.8	-176.7	-102	4.5	110.9	K132 R136 A137	R130-K132 PolarHBondContact O-N 3.16Å; R130-R136 CarbonylContact C-O 3.56Å; R130-R136 WeakPolarHBondContact CA-O 3.28Å; R130-A137 HydrophobicContact CG-CB 4.05Å
131	C	85.2	Confident	85.3	Confident	4 Å²	4	71.7 Å²	71.7	3%	0.027	37%	0.368	C	S	.	.			trans	-67.5	126.5	170.9	-177.2	0	0	0	0	109.8	I133 Q135 R136 F138 L144 H147 H151	C131-I133 PolarHBondContact O-N 3.44Å; C131-Q135 WeakPolarHBondContact O-CA 3.32Å; C131-Q135 PolarHBondContact O-N 3.09Å; C131-R136 PolarHBondContact N-O 3.33Å; C131-F138 HydrophobicContact CB-CE2 4.33Å; C131-L144 HydrophobicContact CB-CD1 3.9Å; C131-H147 WeakPolarHBondContact CB-NE2 3.26Å; C131-H147 PolarHBondContact SG-NE2 3.08Å; C131-H151 PolarHBondContact SG-CD2 3.14Å; C131-H151 PolarHBondContact SG-NE2 3.27Å
132	K	87.7	Confident	85.5	Confident	198 Å²	198	71.9 Å²	71.9	86%	0.861	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-21	-179.9	-64.9	-175.4	177.8	-176.3	0	113.6	R130	R130-K132 PolarHBondContact O-N 3.16Å
133	I	83.3	Confident	85.7	Confident	117 Å²	117	70.6 Å²	70.6	60%	0.6	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-54.7	-174.4	-59.6	171.4	0	0	0	110.8	C131 H151	C131-I133 PolarHBondContact O-N 3.44Å; I133-H151 HydrophobicContact CD1-CB 3.39Å; I133-H151 HydrophobicContact CG2-CB 4.34Å
134	C	86.5	Confident	86.1	Confident	59 Å²	59	68.6 Å²	68.6	40%	0.399	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	4.5	-178	68.9	0	0	0	0	115.3	R136 H147 H151	C134-R136 PolarHBondContact O-N 3.25Å; C134-R136 VanDerWaalsContact SG-CB 3.58Å; C134-H147 PolarHBondContact SG-CE1 3.07Å; C134-H147 PolarHBondContact SG-NE2 2.77Å; C134-H151 PolarHBondContact SG-NE2 2.86Å
135	Q	87.8	Confident	86.6	Confident	116 Å²	116	71.4 Å²	71.4	54%	0.542	37%	0.371	S	S	.	.			trans	60.1	7.4	-179.7	-59	-61.6	-15.6	0	0	116.5	C131 A137	C131-Q135 WeakPolarHBondContact O-CA 3.32Å; C131-Q135 PolarHBondContact O-N 3.09Å; Q135-A137 PolarHBondContact O-N 3.47Å
136	R	86.6	Confident	86.8	Confident	160 Å²	160	72.7 Å²	72.7	60%	0.604	36%	0.363	S	S	*	.			trans	-62.5	131.6	174.7	-173.7	171.3	-177.2	170.6	5.7	111	R130 C131 C134 F138	R130-R136 CarbonylContact C-O 3.56Å; R130-R136 WeakPolarHBondContact CA-O 3.28Å; C131-R136 PolarHBondContact N-O 3.33Å; C134-R136 PolarHBondContact O-N 3.25Å; C134-R136 VanDerWaalsContact SG-CB 3.58Å; R136-F138 HydrophobicContact CB-CE2 3.9Å; R136-F138 HydrophobicContact CB-CZ 4.29Å; R136-F138 HydrophobicContact CG-CE2 3.78Å; R136-F138 HydrophobicContact CG-CZ 3.81Å; R136-F138 VanDerWaalsContact O-CD2 3.28Å; R136-F138 WeakPolarHBondContact O-CD2 3.48Å; R136-F138 VanDerWaalsContact O-CE2 3.26Å; R136-F138 WeakPolarHBondContact O-CE2 3.36Å
137	A	87.5	Confident	86.9	Confident	26 Å²	26	72.8 Å²	72.8	22%	0.215	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	143.6	-178.8	0	0	0	0	0	113.1	K127 L129 R130 Q135	K127-A137 HydrophobicContact CB-CB 3.64Å; K127-A137 HydrophobicContact CD-CB 4.15Å; L129-A137 CarbonylContact O-C 3.55Å; L129-A137 WeakPolarHBondContact O-CA 3.43Å; R130-A137 HydrophobicContact CG-CB 4.05Å; Q135-A137 PolarHBondContact O-N 3.47Å
138	F	86.9	Confident	86.9	Confident	28 Å²	28	69 Å²	69	12%	0.123	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	145.8	-177.5	-62.9	-91.4	0	0	0	111.1	K127 L129 C131 R136 N143 L144 H147	K127-F138 CarbonylContact C-O 3.56Å; K127-F138 WeakPolarHBondContact CA-O 3.42Å; L129-F138 HydrophobicContact CB-CB 4.4Å; L129-F138 WeakPolarHBondContact CB-O 3.05Å; L129-F138 PolarHBondContact N-O 3.36Å; L129-F138 PolarHBondContact O-N 3.06Å; C131-F138 HydrophobicContact CB-CE2 4.33Å; R136-F138 HydrophobicContact CB-CE2 3.9Å; R136-F138 HydrophobicContact CB-CZ 4.29Å; R136-F138 HydrophobicContact CG-CE2 3.78Å; R136-F138 HydrophobicContact CG-CZ 3.81Å; R136-F138 VanDerWaalsContact O-CD2 3.28Å; R136-F138 WeakPolarHBondContact O-CD2 3.48Å; R136-F138 VanDerWaalsContact O-CE2 3.26Å; R136-F138 WeakPolarHBondContact O-CE2 3.36Å; F138-N143 HydrophobicContact CD1-CB 4.09Å; F138-L144 HydrophobicContact CB-CB 4.11Å; F138-L144 HydrophobicContact CD2-CB 4.14Å; F138-L144 HydrophobicContact CD2-CD1 3.59Å; F138-L144 HydrophobicContact CD2-CG 4.47Å; F138-L144 HydrophobicContact CE2-CD1 3.9Å; F138-L144 HydrophobicContact CG-CB 4.14Å; F138-L144 HydrophobicContact CG-CD1 4.43Å; F138-H147 HydrophobicContact CE1-CB 3.84Å; F138-H147 HydrophobicContact CE2-CB 4.13Å; F138-H147 AromaticContact CE2-CD2 3.32Å; F138-H147 WeakPolarHBondContact CE2-CD2 3.41Å; F138-H147 AromaticContact CE2-CG 3.72Å; F138-H147 AromaticContact CE2-NE2 3.88Å; F138-H147 HydrophobicContact CZ-CB 3.45Å; F138-H147 VanDerWaalsContact CZ-CB 3.45Å; F138-H147 AromaticContact CZ-CD2 3.36Å; F138-H147 WeakPolarHBondContact CZ-CD2 3.49Å; F138-H147 AromaticContact CZ-CG 3.22Å; F138-H147 AromaticContact CZ-ND1 3.81Å; F138-H147 AromaticContact CZ-NE2 3.96Å
139	G	86.5	Confident	86.9	Confident	20 Å²	20	72.1 Å²	72.1	21%	0.206	36%	0.358	C	S	.	.	S	Bend	trans	-89.8	-10.7	176.2	0	0	0	0	0	114.3	R121	R121-G139 WeakPolarHBondContact CD-O 3.38Å; R121-G139 PolarHBondContact NH1-O 3.07Å
140	D	88.1	Confident	86.4	Confident	23 Å²	23	72.8 Å²	72.8	12%	0.123	36%	0.361	C	S	.	.			trans	-136.8	129.5	-175.5	169.8	19.1	0	0	0	109.8	I118 S142 N143 L144	I118-D140 HydrophobicContact CG2-CB 3.92Å; D140-S142 PolarHBondContact O-N 2.94Å; D140-S142 WeakPolarHBondContact OD1-CB 3.44Å; D140-S142 PolarHBondContact OD1-N 3.29Å; D140-S142 PolarHBondContact OD1-OG 3.27Å; D140-S142 WeakPolarHBondContact OD2-CB 3.36Å; D140-S142 PolarHBondContact OD2-OG 2.91Å; D140-N143 HydrophobicContact CB-CB 4.29Å; D140-N143 PolarHBondContact O-N 2.74Å; D140-N143 VanDerWaalsContact O-N 3.07Å; D140-L144 PolarHBondContact O-N 2.85Å
141	P	90	Very high	85.8	Confident	51 Å²	51	67.6 Å²	67.6	33%	0.331	34%	0.343	S	S	.	.	H	α-helix	trans	-60	-31.1	177.2	25.1	-35.5	0	0	0	112.8	Y114 L129 N143 L144 N145	Y114-P141 WeakPolarHBondContact OH-CD 3.5Å; Y114-P141 WeakPolarHBondContact OH-CG 3.47Å; L129-P141 VanDerWaalsContact CD1-CA 3.4Å; L129-P141 HydrophobicContact CD1-CB 3.72Å; L129-P141 HydrophobicContact CD1-CG 4.24Å; P141-N143 VanDerWaalsContact C-N 3.26Å; P141-N143 PolarHBondContact O-N 3Å; P141-L144 PolarHBondContact O-N 2.93Å; P141-N145 WeakPolarHBondContact O-CB 3.33Å; P141-N145 PolarHBondContact O-N 3.32Å
142	S	90.3	Very high	85.1	Confident	56 Å²	56	71.9 Å²	71.9	39%	0.392	37%	0.37	S	S	.	.	H	α-helix	trans	-64.2	-35.5	177.2	-38.4	0	0	0	0	111.4	D140 K146	D140-S142 PolarHBondContact O-N 2.94Å; D140-S142 WeakPolarHBondContact OD1-CB 3.44Å; D140-S142 PolarHBondContact OD1-N 3.29Å; D140-S142 PolarHBondContact OD1-OG 3.27Å; D140-S142 WeakPolarHBondContact OD2-CB 3.36Å; D140-S142 PolarHBondContact OD2-OG 2.91Å; S142-K146 WeakPolarHBondContact O-CD 3.36Å; S142-K146 WeakPolarHBondContact O-CG 3.37Å; S142-K146 PolarHBondContact O-N 3Å; S142-K146 VanDerWaalsContact O-N 3.14Å
143	N	88.2	Confident	83.8	Confident	74 Å²	74	63.1 Å²	63.1	40%	0.396	33%	0.332	S	S	.	.	H	α-helix	trans	-77.2	-39.2	177.3	-71.3	-22.9	0	0	0	111.9	F138 D140 P141 N145 K146 H147	F138-N143 HydrophobicContact CD1-CB 4.09Å; D140-N143 HydrophobicContact CB-CB 4.29Å; D140-N143 PolarHBondContact O-N 2.74Å; D140-N143 VanDerWaalsContact O-N 3.07Å; P141-N143 VanDerWaalsContact C-N 3.26Å; P141-N143 PolarHBondContact O-N 3Å; N143-N145 VanDerWaalsContact C-N 3.34Å; N143-K146 PolarHBondContact O-N 2.92Å; N143-H147 WeakPolarHBondContact O-CB 3.42Å; N143-H147 PolarHBondContact O-N 2.8Å
144	L	88.7	Confident	82.6	Confident	34 Å²	34	64.8 Å²	64.8	18%	0.178	34%	0.337	C	S	.	.	H	α-helix	trans	-58.6	-47.7	171.4	174.5	63.3	0	0	0	110.6	L129 C131 F138 D140 P141 K146 H147 A148	L129-L144 HydrophobicContact CB-CB 4.49Å; L129-L144 HydrophobicContact CB-CD2 3.9Å; C131-L144 HydrophobicContact CB-CD1 3.9Å; F138-L144 HydrophobicContact CB-CB 4.11Å; F138-L144 HydrophobicContact CD2-CB 4.14Å; F138-L144 HydrophobicContact CD2-CD1 3.59Å; F138-L144 HydrophobicContact CD2-CG 4.47Å; F138-L144 HydrophobicContact CE2-CD1 3.9Å; F138-L144 HydrophobicContact CG-CB 4.14Å; F138-L144 HydrophobicContact CG-CD1 4.43Å; D140-L144 PolarHBondContact O-N 2.85Å; P141-L144 PolarHBondContact O-N 2.93Å; L144-K146 PolarHBondContact O-N 3.07Å; L144-H147 CarbonylContact O-C 3.54Å; L144-H147 WeakPolarHBondContact O-CA 3Å; L144-H147 WeakPolarHBondContact O-CB 3.4Å; L144-H147 PolarHBondContact O-N 2.88Å; L144-H147 VanDerWaalsContact O-N 3.09Å; L144-A148 WeakPolarHBondContact O-CB 3.16Å; L144-A148 PolarHBondContact O-N 3.19Å
145	N	89.2	Confident	81.1	Confident	105 Å²	105	69.4 Å²	69.4	56%	0.561	36%	0.355	S	S	*	.	H	α-helix	trans	-61.2	-46.2	180	-172.8	32.4	0	0	0	111.9	P141 N143 H147 A148 R149	P141-N145 WeakPolarHBondContact O-CB 3.33Å; P141-N145 PolarHBondContact O-N 3.32Å; N143-N145 VanDerWaalsContact C-N 3.34Å; N145-H147 PolarHBondContact O-N 3.42Å; N145-A148 PolarHBondContact O-N 2.83Å; N145-R149 WeakPolarHBondContact O-CG 3.04Å; N145-R149 PolarHBondContact O-N 3.25Å; N145-R149 VanDerWaalsContact O-N 3.13Å
146	K	85.7	Confident	79.5	Confident	77 Å²	77	68.3 Å²	68.3	34%	0.335	36%	0.359	S	S	.	.	H	α-helix	trans	-58.8	-34.5	174.4	-73.1	167.1	-165.7	164.6	0	112.6	S142 N143 L144	S142-K146 WeakPolarHBondContact O-CD 3.36Å; S142-K146 WeakPolarHBondContact O-CG 3.37Å; S142-K146 PolarHBondContact O-N 3Å; S142-K146 VanDerWaalsContact O-N 3.14Å; N143-K146 PolarHBondContact O-N 2.92Å; L144-K146 PolarHBondContact O-N 3.07Å
147	H	84.9	Confident	78	Confident	20 Å²	20	63.9 Å²	63.9	9%	0.093	36%	0.363	C	S	.	.	H	α-helix	trans	-76.1	-42.5	177	161.5	72.5	0	0	0	112.1	C131 C134 F138 N143 L144 N145 R149 L150 H151	C131-H147 WeakPolarHBondContact CB-NE2 3.26Å; C131-H147 PolarHBondContact SG-NE2 3.08Å; C134-H147 PolarHBondContact SG-CE1 3.07Å; C134-H147 PolarHBondContact SG-NE2 2.77Å; F138-H147 HydrophobicContact CE1-CB 3.84Å; F138-H147 HydrophobicContact CE2-CB 4.13Å; F138-H147 AromaticContact CE2-CD2 3.32Å; F138-H147 WeakPolarHBondContact CE2-CD2 3.41Å; F138-H147 AromaticContact CE2-CG 3.72Å; F138-H147 AromaticContact CE2-NE2 3.88Å; F138-H147 HydrophobicContact CZ-CB 3.45Å; F138-H147 VanDerWaalsContact CZ-CB 3.45Å; F138-H147 AromaticContact CZ-CD2 3.36Å; F138-H147 WeakPolarHBondContact CZ-CD2 3.49Å; F138-H147 AromaticContact CZ-CG 3.22Å; F138-H147 AromaticContact CZ-ND1 3.81Å; F138-H147 AromaticContact CZ-NE2 3.96Å; N143-H147 WeakPolarHBondContact O-CB 3.42Å; N143-H147 PolarHBondContact O-N 2.8Å; L144-H147 CarbonylContact O-C 3.54Å; L144-H147 WeakPolarHBondContact O-CA 3Å; L144-H147 WeakPolarHBondContact O-CB 3.4Å; L144-H147 PolarHBondContact O-N 2.88Å; L144-H147 VanDerWaalsContact O-N 3.09Å; N145-H147 PolarHBondContact O-N 3.42Å; H147-R149 PolarHBondContact O-N 3.13Å; H147-L150 WeakPolarHBondContact O-CA 3.04Å; H147-L150 WeakPolarHBondContact O-CB 3.36Å; H147-L150 WeakPolarHBondContact O-CG 3.2Å; H147-L150 PolarHBondContact O-N 3.26Å; H147-H151 AromaticContact CE1-NE2 3.45Å; H147-H151 PolarHBondContact CE1-NE2 3.45Å; H147-H151 AromaticContact NE2-CD2 3.88Å; H147-H151 AromaticContact NE2-NE2 3.27Å; H147-H151 PolarHBondContact NE2-NE2 3.41Å
148	A	83.3	Confident	76.6	Confident	34 Å²	34	71.9 Å²	71.9	28%	0.281	40%	0.396	S	S	.	.	H	α-helix	trans	-59.5	-34	178.5	0	0	0	0	0	111.8	L144 N145 L150 H151 T152	L144-A148 WeakPolarHBondContact O-CB 3.16Å; L144-A148 PolarHBondContact O-N 3.19Å; N145-A148 PolarHBondContact O-N 2.83Å; A148-L150 PolarHBondContact O-N 3.14Å; A148-H151 PolarHBondContact O-N 2.8Å; A148-T152 PolarHBondContact O-N 2.81Å
149	R	82.9	Confident	75.1	Confident	120 Å²	120	73.5 Å²	73.5	45%	0.453	41%	0.411	S	S	.	.	H	α-helix	trans	-58.4	-24.7	170.8	-69.4	179.3	69.2	176.7	2.8	113.6	N145 H147 T152 I153	N145-R149 WeakPolarHBondContact O-CG 3.04Å; N145-R149 PolarHBondContact O-N 3.25Å; N145-R149 VanDerWaalsContact O-N 3.13Å; H147-R149 PolarHBondContact O-N 3.13Å; R149-T152 PolarHBondContact O-OG1 3.49Å; R149-I153 HydrophobicContact CB-CD1 4.48Å; R149-I153 WeakPolarHBondContact O-CB 3.42Å; R149-I153 WeakPolarHBondContact O-CD1 3.47Å; R149-I153 WeakPolarHBondContact O-CG1 3.49Å; R149-I153 PolarHBondContact O-N 2.95Å
150	L	77.4	Confident	74.2	Confident	65 Å²	65	74.2 Å²	74.2	34%	0.34	41%	0.411	S	S	.	.	H	α-helix	trans	-69	-37.1	175.3	-57.7	174	0	0	0	111.5	H147 A148 T152 I153 E154 V171	H147-L150 WeakPolarHBondContact O-CA 3.04Å; H147-L150 WeakPolarHBondContact O-CB 3.36Å; H147-L150 WeakPolarHBondContact O-CG 3.2Å; H147-L150 PolarHBondContact O-N 3.26Å; A148-L150 PolarHBondContact O-N 3.14Å; L150-T152 VanDerWaalsContact C-N 3.33Å; L150-T152 PolarHBondContact O-N 3.36Å; L150-I153 CarbonylContact O-C 3.45Å; L150-I153 WeakPolarHBondContact O-CA 3.41Å; L150-I153 PolarHBondContact O-N 3Å; L150-E154 PolarHBondContact O-N 3.49Å; L150-V171 HydrophobicContact CD2-CB 4.04Å; L150-V171 HydrophobicContact CD2-CG1 3.73Å; L150-V171 HydrophobicContact CD2-CG2 3.39Å
151	H	76	Confident	73.7	Confident	33 Å²	33	76.7 Å²	76.7	15%	0.153	42%	0.424	C	S	.	.	H	α-helix	trans	-67.6	-33.7	177.9	-68.6	-57.3	0	0	0	112.9	C131 I133 C134 H147 A148 I153 E154	C131-H151 PolarHBondContact SG-CD2 3.14Å; C131-H151 PolarHBondContact SG-NE2 3.27Å; I133-H151 HydrophobicContact CD1-CB 3.39Å; I133-H151 HydrophobicContact CG2-CB 4.34Å; C134-H151 PolarHBondContact SG-NE2 2.86Å; H147-H151 AromaticContact CE1-NE2 3.45Å; H147-H151 PolarHBondContact CE1-NE2 3.45Å; H147-H151 AromaticContact NE2-CD2 3.88Å; H147-H151 AromaticContact NE2-NE2 3.27Å; H147-H151 PolarHBondContact NE2-NE2 3.41Å; A148-H151 PolarHBondContact O-N 2.8Å; H151-I153 PolarHBondContact O-N 2.84Å; H151-E154 IonicContact ND1-OE2 2.84Å
152	T	68.7	Low	73.2	Confident	94 Å²	94	81.2 Å²	81.2	58%	0.577	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-14	172.2	56.6	0	0	0	0	112.7	A148 R149 L150	A148-T152 PolarHBondContact O-N 2.81Å; R149-T152 PolarHBondContact O-OG1 3.49Å; L150-T152 VanDerWaalsContact C-N 3.33Å; L150-T152 PolarHBondContact O-N 3.36Å
153	I	61.6	Low	72.8	Confident	14 Å²	14	78.5 Å²	78.5	7%	0.072	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-24.3	-170	-71.1	169.4	0	0	0	113.3	R149 L150 H151 M155 C156 S159 T160 V171	R149-I153 HydrophobicContact CB-CD1 4.48Å; R149-I153 WeakPolarHBondContact O-CB 3.42Å; R149-I153 WeakPolarHBondContact O-CD1 3.47Å; R149-I153 WeakPolarHBondContact O-CG1 3.49Å; R149-I153 PolarHBondContact O-N 2.95Å; L150-I153 CarbonylContact O-C 3.45Å; L150-I153 WeakPolarHBondContact O-CA 3.41Å; L150-I153 PolarHBondContact O-N 3Å; H151-I153 PolarHBondContact O-N 2.84Å; I153-M155 CarbonylContact O-C 3.04Å; I153-M155 PolarHBondContact O-N 3.19Å; I153-C156 WeakPolarHBondContact O-CA 3.36Å; I153-C156 PolarHBondContact O-N 3.2Å; I153-S159 VanDerWaalsContact CG1-OG 3.31Å; I153-S159 WeakPolarHBondContact CG1-OG 3.42Å; I153-T160 HydrophobicContact CG2-CG2 3.31Å; I153-V171 HydrophobicContact CD1-CB 4.34Å; I153-V171 HydrophobicContact CD1-CG1 3.71Å; I153-V171 HydrophobicContact CD1-CG2 4.24Å; I153-V171 HydrophobicContact CG2-CG2 4.35Å
154	E	57.3	Low	72.6	Confident	152 Å²	152	82.9 Å²	82.9	71%	0.71	44%	0.438	S	S	*	.	S	Bend	trans	-52.8	-20.7	172.3	-78.4	-177.8	156.8	0	0	112	L150 H151 C156	L150-E154 PolarHBondContact O-N 3.49Å; H151-E154 IonicContact ND1-OE2 2.84Å; E154-C156 VanDerWaalsContact C-N 3.3Å; E154-C156 PolarHBondContact O-N 2.65Å; E154-C156 VanDerWaalsContact O-N 3.07Å
155	M	54.9	Low	72.4	Confident	155 Å²	155	84.8 Å²	84.8	76%	0.764	45%	0.445	S	S	*	.	S	Bend	trans	-74.8	79.1	156.5	-50	-57.2	177	0	0	110	I153 G157	I153-M155 CarbonylContact O-C 3.04Å; I153-M155 PolarHBondContact O-N 3.19Å; M155-G157 PolarHBondContact O-N 2.72Å
156	C	54.9	Low	72.2	Confident	93 Å²	93	83 Å²	83	63%	0.628	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	25.9	-166.4	-167	0	0	0	0	117.6	I153 E154	I153-C156 WeakPolarHBondContact O-CA 3.36Å; I153-C156 PolarHBondContact O-N 3.2Å; E154-C156 VanDerWaalsContact C-N 3.3Å; E154-C156 PolarHBondContact O-N 2.65Å; E154-C156 VanDerWaalsContact O-N 3.07Å
157	G	55.1	Low	71.9	Confident	67 Å²	67	80.6 Å²	80.6	69%	0.691	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-39.3	-172.4	0	0	0	0	0	116.8	M155	M155-G157 PolarHBondContact O-N 2.72Å
158	Q	57.3	Low	71.6	Confident	194 Å²	194	84.9 Å²	84.9	91%	0.907	46%	0.455	S	S	*	.	S	Bend	trans	-121	-16.4	-158.9	-72.4	-178.7	-34.1	0	0	117
159	S	56.7	Low	71.5	Confident	63 Å²	63	85.9 Å²	85.9	44%	0.441	46%	0.459	S	S	.	.	S	Bend	trans	-138.7	14.5	-170.8	57.4	0	0	0	0	116.9	I153	I153-S159 VanDerWaalsContact CG1-OG 3.31Å; I153-S159 WeakPolarHBondContact CG1-OG 3.42Å
160	T	67.5	Low	71.3	Confident	34 Å²	34	81.5 Å²	81.5	21%	0.209	45%	0.445	C	S	.	.			trans	-85.6	137	166.9	57.1	0	0	0	0	111.3	I153 K162 C169	I153-T160 HydrophobicContact CG2-CG2 3.31Å; T160-K162 PolarHBondContact O-N 2.93Å; T160-C169 HydrophobicContact CG2-CB 3.9Å; T160-C169 PolarHBondContact OG1-SG 3.3Å
161	L	77.4	Confident	71.3	Confident	75 Å²	75	79.8 Å²	79.8	39%	0.393	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	108.4	165.9	-60.6	171.9	0	0	0	108	L170 K173 L176	L161-L170 PolarHBondContact N-O 3.18Å; L161-L170 PolarHBondContact O-N 3.18Å; L161-K173 HydrophobicContact CD1-CB 3.67Å; L161-K173 HydrophobicContact CD1-CG 4.22Å; L161-K173 VanDerWaalsContact CD1-N 3.27Å; L161-L176 HydrophobicContact CB-CB 4.44Å; L161-L176 HydrophobicContact CB-CD2 3.69Å; L161-L176 HydrophobicContact CD1-CD2 4.42Å
162	K	79.2	Confident	71.6	Confident	146 Å²	146	82.3 Å²	82.3	64%	0.635	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	129.2	175	-174	176.9	179.1	-178.5	0	109	T160 Q164	T160-K162 PolarHBondContact O-N 2.93Å; K162-Q164 PolarHBondContact O-N 3.08Å
163	C	82	Confident	72.4	Confident	0 Å²	0	84.7 Å²	84.7	0%	0	45%	0.448	C	S	.	.			trans	-63.8	124.1	167.2	179.4	0	0	0	0	109.6	F165 C166 G167 K168 L176 H179	C163-F165 PolarHBondContact O-N 2.9Å; C163-F165 PolarHBondContact SG-N 3.1Å; C163-C166 VanDerWaalsContact SG-SG 3.65Å; C163-G167 WeakPolarHBondContact O-CA 3.48Å; C163-G167 PolarHBondContact O-N 2.87Å; C163-K168 HydrophobicContact CB-CB 4.34Å; C163-K168 WeakPolarHBondContact CB-O 3.31Å; C163-K168 PolarHBondContact N-O 2.88Å; C163-L176 HydrophobicContact CB-CD1 3.63Å; C163-H179 VanDerWaalsContact SG-CD2 3.56Å; C163-H179 PolarHBondContact SG-NE2 2.8Å
164	Q	83.8	Confident	73.6	Confident	165 Å²	165	92.3 Å²	92.3	77%	0.771	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-26.2	-179.9	69.7	-174.3	21.6	0	0	113.4	K162	K162-Q164 PolarHBondContact O-N 3.08Å
165	F	84.2	Confident	74.9	Confident	74 Å²	74	86.2 Å²	86.2	33%	0.325	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-31.1	-174.8	-57.5	-71.8	0	0	0	114.1	C163 V180 H184 Y187	C163-F165 PolarHBondContact O-N 2.9Å; C163-F165 PolarHBondContact SG-N 3.1Å; F165-V180 HydrophobicContact CD2-CG1 4.16Å; F165-V180 HydrophobicContact CD2-CG2 4.29Å; F165-V180 HydrophobicContact CE2-CG1 3.74Å; F165-V180 HydrophobicContact CE2-CG2 4.44Å; F165-H184 HydrophobicContact CB-CB 4.5Å; F165-H184 HydrophobicContact CD2-CB 3.91Å; F165-H184 AromaticContact CD2-CD2 3.88Å; F165-H184 AromaticContact CD2-CG 3.85Å; F165-H184 HydrophobicContact CE2-CB 4.37Å; F165-H184 HydrophobicContact CG-CB 4.25Å; F165-H184 AromaticContact CG-CG 3.94Å; F165-Y187 HydrophobicContact CD1-CD2 4.48Å; F165-Y187 HydrophobicContact CE1-CD1 4.18Å; F165-Y187 AromaticContact CE1-CD2 3.96Å; F165-Y187 HydrophobicContact CE1-CD2 3.96Å; F165-Y187 AromaticContact CE1-CG 3.77Å; F165-Y187 HydrophobicContact CE1-CG 3.77Å; F165-Y187 HydrophobicContact CZ-CD1 4.43Å; F165-Y187 HydrophobicContact CZ-CD2 4.37Å; F165-Y187 AromaticContact CZ-CG 3.88Å; F165-Y187 HydrophobicContact CZ-CG 3.88Å
166	C	85.1	Confident	76.4	Confident	68 Å²	68	80.1 Å²	80.1	46%	0.459	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.2	-0.2	-178.2	70.8	0	0	0	0	114.6	C163 K168 H179	C163-C166 VanDerWaalsContact SG-SG 3.65Å; C166-K168 PolarHBondContact O-N 2.94Å; C166-K168 VanDerWaalsContact SG-CB 3.51Å; C166-H179 VanDerWaalsContact SG-CE1 3.53Å; C166-H179 PolarHBondContact SG-NE2 3.11Å
167	G	79.6	Confident	78.1	Confident	27 Å²	27	79.5 Å²	79.5	28%	0.278	41%	0.409	S	S	.	.			trans	72.1	3.5	-179.6	0	0	0	0	0	115.5	C163 C169	C163-G167 WeakPolarHBondContact O-CA 3.48Å; C163-G167 PolarHBondContact O-N 2.87Å; G167-C169 PolarHBondContact O-N 3.5Å
168	K	79	Confident	79.7	Confident	109 Å²	109	84.2 Å²	84.2	47%	0.474	41%	0.406	S	S	.	.			trans	-65	123.1	179.3	-169.7	170.6	-171.3	168.7	0	111.4	C163 C166 L170	C163-K168 HydrophobicContact CB-CB 4.34Å; C163-K168 WeakPolarHBondContact CB-O 3.31Å; C163-K168 PolarHBondContact N-O 2.88Å; C166-K168 PolarHBondContact O-N 2.94Å; C166-K168 VanDerWaalsContact SG-CB 3.51Å; K168-L170 HydrophobicContact CG-CG 4.45Å
169	C	80.7	Confident	81.1	Confident	55 Å²	55	76 Å²	76	37%	0.372	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	123.3	177.8	-66.9	0	0	0	0	111.2	T160 G167	T160-C169 HydrophobicContact CG2-CB 3.9Å; T160-C169 PolarHBondContact OG1-SG 3.3Å; G167-C169 PolarHBondContact O-N 3.5Å
170	L	79.8	Confident	82.7	Confident	28 Å²	28	73.9 Å²	73.9	15%	0.147	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.7	-178.7	-67.5	164.9	0	0	0	110.8	L161 K168 D175 L176 H179	L161-L170 PolarHBondContact N-O 3.18Å; L161-L170 PolarHBondContact O-N 3.18Å; K168-L170 HydrophobicContact CG-CG 4.45Å; L170-D175 HydrophobicContact CB-CB 4.49Å; L170-D175 HydrophobicContact CD2-CB 4.49Å; L170-L176 HydrophobicContact CB-CB 4.29Å; L170-L176 VanDerWaalsContact CD1-CA 3.48Å; L170-L176 HydrophobicContact CD1-CB 4.08Å; L170-L176 HydrophobicContact CD1-CD1 4.04Å; L170-H179 HydrophobicContact CD1-CB 3.45Å; L170-H179 VanDerWaalsContact CD1-CB 3.45Å
171	V	77.3	Confident	83.7	Confident	30 Å²	30	74.4 Å²	74.4	18%	0.182	36%	0.36	C	S	.	.	S	Bend	trans	-78.5	-27	-169.2	170.7	0	0	0	0	112.7	L150 I153	L150-V171 HydrophobicContact CD2-CB 4.04Å; L150-V171 HydrophobicContact CD2-CG1 3.73Å; L150-V171 HydrophobicContact CD2-CG2 3.39Å; I153-V171 HydrophobicContact CD1-CB 4.34Å; I153-V171 HydrophobicContact CD1-CG1 3.71Å; I153-V171 HydrophobicContact CD1-CG2 4.24Å; I153-V171 HydrophobicContact CG2-CG2 4.35Å
172	R	81	Confident	84.2	Confident	86 Å²	86	73.2 Å²	73.2	33%	0.325	36%	0.358	S	S	.	.	S	Bend	trans	-130.2	144.8	-177.5	-45.1	-175.8	-148.8	106.4	2.1	110.2	R174 D175 L176	R172-R174 VanDerWaalsContact C-N 3.3Å; R172-R174 HydrophobicContact CB-CG 4.26Å; R172-R174 PolarHBondContact O-N 3.01Å; R172-D175 WeakPolarHBondContact CB-OD2 3.33Å; R172-D175 WeakPolarHBondContact CG-OD2 3.45Å; R172-D175 IonicContact CZ-OD2 3.36Å; R172-D175 IonicContact NE-OD2 3.71Å; R172-D175 IonicContact NH1-OD1 3.49Å; R172-D175 PolarHBondContact NH1-OD1 2.69Å; R172-D175 IonicContact NH1-OD2 2.65Å; R172-D175 PolarHBondContact NH1-OD2 2.99Å; R172-D175 WeakPolarHBondContact O-CB 3.13Å; R172-D175 PolarHBondContact O-N 3.41Å; R172-L176 PolarHBondContact O-N 3.14Å; R172-L176 VanDerWaalsContact O-N 3.08Å
173	K	85.4	Confident	84.6	Confident	144 Å²	144	74.5 Å²	74.5	63%	0.626	36%	0.359	S	S	*	.	H	α-helix	trans	-52.1	-48.7	175.8	-168.9	-179.6	174.8	175.6	0	111.7	L161 D175 L176 D177	L161-K173 HydrophobicContact CD1-CB 3.67Å; L161-K173 HydrophobicContact CD1-CG 4.22Å; L161-K173 VanDerWaalsContact CD1-N 3.27Å; K173-D175 PolarHBondContact O-N 3.32Å; K173-D175 VanDerWaalsContact O-N 3.1Å; K173-L176 CarbonylContact O-C 3.47Å; K173-L176 WeakPolarHBondContact O-CA 3.28Å; K173-L176 WeakPolarHBondContact O-CB 3.28Å; K173-L176 PolarHBondContact O-N 2.82Å; K173-D177 PolarHBondContact O-N 3.29Å
174	R	86.9	Confident	84.9	Confident	174 Å²	174	76.4 Å²	76.4	66%	0.657	37%	0.367	S	S	*	.	H	α-helix	trans	-58.2	-30.4	177.3	82	-174.6	-38.8	-179.3	12.1	115.2	R172 R178	R172-R174 VanDerWaalsContact C-N 3.3Å; R172-R174 HydrophobicContact CB-CG 4.26Å; R172-R174 PolarHBondContact O-N 3.01Å; R174-R178 VanDerWaalsContact O-CB 3.28Å; R174-R178 WeakPolarHBondContact O-CB 3.45Å; R174-R178 PolarHBondContact O-N 2.85Å; R174-R178 VanDerWaalsContact O-N 3.11Å
175	D	85.9	Confident	84.3	Confident	24 Å²	24	75.6 Å²	75.6	13%	0.128	36%	0.364	C	S	.	.	H	α-helix	trans	-76.8	-37	177.2	-66.4	-53.5	0	0	0	109.9	L170 R172 K173 R178 H179	L170-D175 HydrophobicContact CB-CB 4.49Å; L170-D175 HydrophobicContact CD2-CB 4.49Å; R172-D175 WeakPolarHBondContact CB-OD2 3.33Å; R172-D175 WeakPolarHBondContact CG-OD2 3.45Å; R172-D175 IonicContact CZ-OD2 3.36Å; R172-D175 IonicContact NE-OD2 3.71Å; R172-D175 IonicContact NH1-OD1 3.49Å; R172-D175 PolarHBondContact NH1-OD1 2.69Å; R172-D175 IonicContact NH1-OD2 2.65Å; R172-D175 PolarHBondContact NH1-OD2 2.99Å; R172-D175 WeakPolarHBondContact O-CB 3.13Å; R172-D175 PolarHBondContact O-N 3.41Å; K173-D175 PolarHBondContact O-N 3.32Å; K173-D175 VanDerWaalsContact O-N 3.1Å; D175-R178 IonicContact OD1-CZ 4Å; D175-R178 IonicContact OD1-NH2 3.87Å; D175-R178 PolarHBondContact OD1-NH2 2.83Å; D175-H179 WeakPolarHBondContact O-CB 3.45Å; D175-H179 PolarHBondContact O-N 3.31Å
176	L	85.6	Confident	83.3	Confident	26 Å²	26	80.5 Å²	80.5	14%	0.136	39%	0.387	C	S	.	.	H	α-helix	trans	-62.8	-50.4	169.3	176.7	60.9	0	0	0	112	L161 C163 L170 R172 K173 R178 H179 V180	L161-L176 HydrophobicContact CB-CB 4.44Å; L161-L176 HydrophobicContact CB-CD2 3.69Å; L161-L176 HydrophobicContact CD1-CD2 4.42Å; C163-L176 HydrophobicContact CB-CD1 3.63Å; L170-L176 HydrophobicContact CB-CB 4.29Å; L170-L176 VanDerWaalsContact CD1-CA 3.48Å; L170-L176 HydrophobicContact CD1-CB 4.08Å; L170-L176 HydrophobicContact CD1-CD1 4.04Å; R172-L176 PolarHBondContact O-N 3.14Å; R172-L176 VanDerWaalsContact O-N 3.08Å; K173-L176 CarbonylContact O-C 3.47Å; K173-L176 WeakPolarHBondContact O-CA 3.28Å; K173-L176 WeakPolarHBondContact O-CB 3.28Å; K173-L176 PolarHBondContact O-N 2.82Å; L176-R178 VanDerWaalsContact C-N 3.33Å; L176-R178 PolarHBondContact O-N 3.18Å; L176-H179 CarbonylContact O-C 3.57Å; L176-H179 WeakPolarHBondContact O-CA 3.26Å; L176-H179 WeakPolarHBondContact O-CB 3.2Å; L176-H179 PolarHBondContact O-N 2.82Å; L176-V180 HydrophobicContact CD1-CG2 3.82Å; L176-V180 HydrophobicContact CG-CG2 4.33Å; L176-V180 WeakPolarHBondContact O-CG2 3.18Å; L176-V180 PolarHBondContact O-N 3.33Å
177	D	90.4	Very high	82	Confident	81 Å²	81	85 Å²	85	43%	0.433	40%	0.396	S	S	.	.	H	α-helix	trans	-57.9	-47	179.5	-56.3	-29.5	0	0	0	110.7	K173 H179 V180 A181	K173-D177 PolarHBondContact O-N 3.29Å; D177-H179 VanDerWaalsContact C-N 3.32Å; D177-H179 PolarHBondContact O-N 3.07Å; D177-V180 PolarHBondContact O-N 3.5Å; D177-A181 WeakPolarHBondContact O-CB 3.49Å; D177-A181 PolarHBondContact O-N 3.44Å
178	R	89.6	Confident	80.8	Confident	166 Å²	166	88.7 Å²	88.7	63%	0.626	41%	0.409	S	S	*	.	H	α-helix	trans	-64.3	-36.6	175.1	177.2	174.1	57	163.3	-2.9	112.2	R174 D175 L176 S182	R174-R178 VanDerWaalsContact O-CB 3.28Å; R174-R178 WeakPolarHBondContact O-CB 3.45Å; R174-R178 PolarHBondContact O-N 2.85Å; R174-R178 VanDerWaalsContact O-N 3.11Å; D175-R178 IonicContact OD1-CZ 4Å; D175-R178 IonicContact OD1-NH2 3.87Å; D175-R178 PolarHBondContact OD1-NH2 2.83Å; L176-R178 VanDerWaalsContact C-N 3.33Å; L176-R178 PolarHBondContact O-N 3.18Å; R178-S182 VanDerWaalsContact O-CB 3.26Å; R178-S182 WeakPolarHBondContact O-CB 3.41Å; R178-S182 PolarHBondContact O-N 3.02Å; R178-S182 PolarHBondContact O-OG 2.75Å
179	H	87.2	Confident	79.5	Confident	20 Å²	20	89 Å²	89	9%	0.093	43%	0.425	C	S	.	.	H	α-helix	trans	-66.2	-47.9	177.3	164.3	68.5	0	0	0	111.1	C163 C166 L170 D175 L176 D177 S182 R183 H184	C163-H179 VanDerWaalsContact SG-CD2 3.56Å; C163-H179 PolarHBondContact SG-NE2 2.8Å; C166-H179 VanDerWaalsContact SG-CE1 3.53Å; C166-H179 PolarHBondContact SG-NE2 3.11Å; L170-H179 HydrophobicContact CD1-CB 3.45Å; L170-H179 VanDerWaalsContact CD1-CB 3.45Å; D175-H179 WeakPolarHBondContact O-CB 3.45Å; D175-H179 PolarHBondContact O-N 3.31Å; L176-H179 CarbonylContact O-C 3.57Å; L176-H179 WeakPolarHBondContact O-CA 3.26Å; L176-H179 WeakPolarHBondContact O-CB 3.2Å; L176-H179 PolarHBondContact O-N 2.82Å; D177-H179 VanDerWaalsContact C-N 3.32Å; D177-H179 PolarHBondContact O-N 3.07Å; H179-S182 PolarHBondContact O-N 3.32Å; H179-S182 PolarHBondContact O-OG 3.43Å; H179-R183 VanDerWaalsContact O-CB 3.28Å; H179-R183 WeakPolarHBondContact O-CB 3.38Å; H179-R183 WeakPolarHBondContact O-CG 3.34Å; H179-R183 PolarHBondContact O-N 3.32Å; H179-H184 AromaticContact CE1-NE2 3.95Å; H179-H184 AromaticContact NE2-CD2 3.96Å; H179-H184 AromaticContact NE2-NE2 3.6Å
180	V	89.4	Confident	77.8	Confident	19 Å²	19	94.8 Å²	94.8	12%	0.115	45%	0.447	C	S	.	.	H	α-helix	trans	-59.8	-52.2	174.5	174.6	0	0	0	0	110	F165 L176 D177 S182 R183 H184	F165-V180 HydrophobicContact CD2-CG1 4.16Å; F165-V180 HydrophobicContact CD2-CG2 4.29Å; F165-V180 HydrophobicContact CE2-CG1 3.74Å; F165-V180 HydrophobicContact CE2-CG2 4.44Å; L176-V180 HydrophobicContact CD1-CG2 3.82Å; L176-V180 HydrophobicContact CG-CG2 4.33Å; L176-V180 WeakPolarHBondContact O-CG2 3.18Å; L176-V180 PolarHBondContact O-N 3.33Å; D177-V180 PolarHBondContact O-N 3.5Å; V180-S182 PolarHBondContact O-N 3.37Å; V180-S182 VanDerWaalsContact O-N 3.14Å; V180-R183 PolarHBondContact O-N 3.24Å; V180-H184 HydrophobicContact CG1-CB 4.25Å; V180-H184 CarbonylContact O-C 3.16Å; V180-H184 VanDerWaalsContact O-CA 3.23Å; V180-H184 WeakPolarHBondContact O-CA 3.13Å; V180-H184 WeakPolarHBondContact O-CB 3.39Å; V180-H184 PolarHBondContact O-N 3.42Å
181	A	88.9	Confident	76	Confident	46 Å²	46	98 Å²	98	38%	0.38	48%	0.477	S	S	.	.	H	α-helix	trans	-62.3	-25.5	-179.5	0	0	0	0	0	114.2	D177 Q185	D177-A181 WeakPolarHBondContact O-CB 3.49Å; D177-A181 PolarHBondContact O-N 3.44Å; A181-Q185 WeakPolarHBondContact O-CG 3.23Å
182	S	88.4	Confident	74.5	Confident	50 Å²	50	102.7 Å²	102.7	35%	0.35	51%	0.509	S	S	.	.	H	α-helix	trans	-98.1	-28.4	-179.9	60.6	0	0	0	0	114.4	R178 H179 V180 Q185	R178-S182 VanDerWaalsContact O-CB 3.26Å; R178-S182 WeakPolarHBondContact O-CB 3.41Å; R178-S182 PolarHBondContact O-N 3.02Å; R178-S182 PolarHBondContact O-OG 2.75Å; H179-S182 PolarHBondContact O-N 3.32Å; H179-S182 PolarHBondContact O-OG 3.43Å; V180-S182 PolarHBondContact O-N 3.37Å; V180-S182 VanDerWaalsContact O-N 3.14Å; S182-Q185 PolarHBondContact O-NE2 3.32Å
183	R	87	Confident	72.5	Confident	173 Å²	173	102 Å²	102	65%	0.653	53%	0.528	S	S	*	.	H	α-helix	trans	-108.7	-20.3	-175.2	-57.2	-61.8	161.7	93.6	-6.2	113.8	H179 V180	H179-R183 VanDerWaalsContact O-CB 3.28Å; H179-R183 WeakPolarHBondContact O-CB 3.38Å; H179-R183 WeakPolarHBondContact O-CG 3.34Å; H179-R183 PolarHBondContact O-N 3.32Å; V180-R183 PolarHBondContact O-N 3.24Å
184	H	87.3	Confident	70	Confident	40 Å²	40	98.8 Å²	98.8	19%	0.185	54%	0.536	C	S	.	.			trans	-129.6	51.9	-178.1	-53.6	-61	0	0	0	108.4	F165 H179 V180 E186 Y187	F165-H184 HydrophobicContact CB-CB 4.5Å; F165-H184 HydrophobicContact CD2-CB 3.91Å; F165-H184 AromaticContact CD2-CD2 3.88Å; F165-H184 AromaticContact CD2-CG 3.85Å; F165-H184 HydrophobicContact CE2-CB 4.37Å; F165-H184 HydrophobicContact CG-CB 4.25Å; F165-H184 AromaticContact CG-CG 3.94Å; H179-H184 AromaticContact CE1-NE2 3.95Å; H179-H184 AromaticContact NE2-CD2 3.96Å; H179-H184 AromaticContact NE2-NE2 3.6Å; V180-H184 HydrophobicContact CG1-CB 4.25Å; V180-H184 CarbonylContact O-C 3.16Å; V180-H184 VanDerWaalsContact O-CA 3.23Å; V180-H184 WeakPolarHBondContact O-CA 3.13Å; V180-H184 WeakPolarHBondContact O-CB 3.39Å; V180-H184 PolarHBondContact O-N 3.42Å; H184-E186 PolarHBondContact O-N 3.12Å; H184-E186 VanDerWaalsContact O-N 3.12Å; H184-Y187 PolarHBondContact O-N 2.78Å
185	Q	71.6	Confident	67.8	Low	148 Å²	148	97.6 Å²	97.6	69%	0.692	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-58.7	-23	-173.7	-74.5	173.2	25.7	0	0	113.2	A181 S182 Y187	A181-Q185 WeakPolarHBondContact O-CG 3.23Å; S182-Q185 PolarHBondContact O-NE2 3.32Å; Q185-Y187 VanDerWaalsContact C-N 3.33Å; Q185-Y187 PolarHBondContact O-N 3.42Å
186	E	62.8	Low	65.6	Low	177 Å²	177	109.5 Å²	109.5	83%	0.827	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-78.9	-7.6	-175.6	-64.6	179.9	122.8	0	0	114.4	H184	H184-E186 PolarHBondContact O-N 3.12Å; H184-E186 VanDerWaalsContact O-N 3.12Å
187	Y	58.5	Low	64.6	Low	161 Å²	161	113.7 Å²	113.7	63%	0.631	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-116.9	21.8	-169.7	-78.3	-79.4	0	0	0	116.5	F165 H184 Q185	F165-Y187 HydrophobicContact CD1-CD2 4.48Å; F165-Y187 HydrophobicContact CE1-CD1 4.18Å; F165-Y187 AromaticContact CE1-CD2 3.96Å; F165-Y187 HydrophobicContact CE1-CD2 3.96Å; F165-Y187 AromaticContact CE1-CG 3.77Å; F165-Y187 HydrophobicContact CE1-CG 3.77Å; F165-Y187 HydrophobicContact CZ-CD1 4.43Å; F165-Y187 HydrophobicContact CZ-CD2 4.37Å; F165-Y187 AromaticContact CZ-CG 3.88Å; F165-Y187 HydrophobicContact CZ-CG 3.88Å; H184-Y187 PolarHBondContact O-N 2.78Å; Q185-Y187 VanDerWaalsContact C-N 3.33Å; Q185-Y187 PolarHBondContact O-N 3.42Å
188	N	53.4	Low	63.2	Low	105 Å²	105	115.4 Å²	115.4	56%	0.561	63%	0.631	S	S	*	*			trans	-107.3	34.3	-173.9	-115.9	7.1	0	0	0	115.3
189	S	52.8	Low	61.7	Low	116 Å²	116	112.6 Å²	112.6	81%	0.811	63%	0.631	S	S	*	*	S	Bend	trans	-88.6	-7.9	172.2	-47	0	0	0	0	114.3
190	E	44.1	Very low	60.2	Low	176 Å²	176	118 Å²	118	82%	0.822	66%	0.663	S	S	*	*			trans	-133.6	93.2	-176.6	-65.8	-177.3	115.8	0	0	110.1	P192	E190-P192 VanDerWaalsContact O-CD 3.31Å; E190-P192 WeakPolarHBondContact O-CD 3.31Å
191	A	43.6	Very low	58.4	Low	96 Å²	96	124.2 Å²	124.2	79%	0.793	70%	0.697	S	S	*	*			trans	-72.2	118.9	164.3	0	0	0	0	0	108.5	G193	A191-G193 PolarHBondContact O-N 3.25Å
192	P	43.9	Very low	56.4	Low	129 Å²	129	129.4 Å²	129.4	84%	0.838	72%	0.718	S	S	*	*			trans	-71.9	121	168.5	27.9	-28.9	0	0	0	108.3	E190	E190-P192 VanDerWaalsContact O-CD 3.31Å; E190-P192 WeakPolarHBondContact O-CD 3.31Å
193	G	39.8	Very low	54.1	Low	71 Å²	71	135.1 Å²	135.1	73%	0.732	75%	0.745	S	S	*	*			trans	-62.6	177.3	-170.3	0	0	0	0	0	116.1	A191	A191-G193 PolarHBondContact O-N 3.25Å
194	G	32.9	Very low	51.6	Low	76 Å²	76	132.2 Å²	132.2	78%	0.784	75%	0.752	S	S	*	*			trans	-54	145.5	-179.1	0	0	0	0	0	113.5
195	V	40.3	Very low	48.6	Very low	150 Å²	150	139.8 Å²	139.8	91%	0.909	80%	0.799	S	S	*	*			trans	-79.9	123.6	165.2	-176.9	0	0	0	0	106.6
196	K	39.3	Very low	46.5	Very low	273 Å²	273	139.1 Å²	139.1	100%	1.187	81%	0.809	S	S	*	*			trans	-57.3	0	-179.9	-67	171.5	172.8	178	0	112.7

Retrieved 196 of 196 residues in 159.4 ms (Link to these results)

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