A0A077ZG61_TRITR Loading...

Fertility inhibition protein

One of the components on the FinOP fertility inhibition complex, which inhibits the expression of traJ gene, which in turn regulates the expression of some 20 transfer genes. The transfer genes are responsible for the process, called conjugal transfer, in which DNA is transmitted from one bacterial host to another. RNA-binding that interacts with the traJ mRNA and its antisense RNA, finP, stabilizing finP against endonucleolytic degradation and facilitating sense-antisense RNA recognition.

AlphaFold DB , UniProt , Accession A0A077ZG61, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 186 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.4	Very low	54.6	Low	240 Å²	240	160.8 Å²	160.8	100%	1.182	82%	0.817	S	S	*	*				0	87.9	0	-71.4	-72.8	-167.1	0	0	108.5
2	T	46.7	Very low	54.7	Low	130 Å²	130	164.3 Å²	164.3	80%	0.798	82%	0.822	S	S	*	*			trans	-97.2	103.6	175.6	48.5	0	0	0	0	108.6	Q4	T2-Q4 PolarHBondContact O-N 3.12Å
3	E	50.7	Low	55	Low	188 Å²	188	167.5 Å²	167.5	88%	0.879	82%	0.819	S	S	*	*			trans	-60.9	106.8	173.1	-76	-173.4	141.2	0	0	110	K5	E3-K5 PolarHBondContact O-N 3.46Å
4	Q	54.5	Low	54.8	Low	169 Å²	169	170.4 Å²	170.4	79%	0.79	83%	0.825	S	S	*	*			trans	-70.3	97.3	170.7	-73.5	170.3	-4.6	0	0	108.5	T2 R6	T2-Q4 PolarHBondContact O-N 3.12Å; Q4-R6 PolarHBondContact O-N 2.94Å
5	K	59.1	Low	54.9	Low	207 Å²	207	167.4 Å²	167.4	90%	0.9	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-51.2	124	170.8	-81.7	-179	176.3	176.8	0	109.6	E3	E3-K5 PolarHBondContact O-N 3.46Å
6	R	55.1	Low	54.4	Low	194 Å²	194	169.2 Å²	169.2	73%	0.732	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-67.8	138.7	-178.3	-61.3	178.7	-177.6	-174.1	0.1	110.2	Q4 V8	Q4-R6 PolarHBondContact O-N 2.94Å; R6-V8 PolarHBondContact O-N 3.42Å
7	P	59.1	Low	54.4	Low	130 Å²	130	162.5 Å²	162.5	84%	0.844	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-70.8	120.5	176.6	28.1	-31.6	0	0	0	110
8	V	57.9	Low	53.7	Low	105 Å²	105	162.2 Å²	162.2	64%	0.636	82%	0.82	S	S	*	*			trans	-96	112.8	176.4	179.4	0	0	0	0	108.4	R6 T10	R6-V8 PolarHBondContact O-N 3.42Å; V8-T10 HydrophobicContact CG1-CG2 4.31Å
9	L	59.1	Low	53.6	Low	160 Å²	160	157.1 Å²	157.1	84%	0.838	81%	0.806	S	S	*	*			trans	-88.2	110.3	173.5	-93.7	153.7	0	0	0	109.8
10	T	58.9	Low	53.3	Low	106 Å²	106	156.1 Å²	156.1	65%	0.65	81%	0.81	S	S	*	*			trans	-96.9	114.5	170.5	51.7	0	0	0	0	110.2	V8 K12	V8-T10 HydrophobicContact CG1-CG2 4.31Å; T10-K12 PolarHBondContact O-N 2.88Å
11	L	62.4	Low	53.4	Low	140 Å²	140	154.5 Å²	154.5	73%	0.733	81%	0.807	S	S	*	*			trans	-79.9	110.6	172.8	-150.2	95	0	0	0	109	R13	L11-R13 HydrophobicContact CD2-CG 3.97Å; L11-R13 PolarHBondContact O-N 3.11Å
12	K	55.3	Low	54.1	Low	203 Å²	203	154.3 Å²	154.3	88%	0.883	79%	0.793	S	S	*	*			trans	-80	105.3	172.2	-72.6	-158	176.5	-175.5	0	109.4	T10	T10-K12 PolarHBondContact O-N 2.88Å
13	R	59.4	Low	54.3	Low	206 Å²	206	153.1 Å²	153.1	78%	0.777	79%	0.79	S	S	*	*			trans	-94	130.6	167.1	-64.2	-175.4	178.1	178	-0.7	108.6	L11	L11-R13 HydrophobicContact CD2-CG 3.97Å; L11-R13 PolarHBondContact O-N 3.11Å
14	K	52.3	Low	54.6	Low	208 Å²	208	155 Å²	155	90%	0.904	79%	0.789	S	S	*	*			trans	-77.5	123.5	163.7	-76.8	-173.4	174.5	-175.7	0	107.1
15	T	55.2	Low	54.7	Low	125 Å²	125	156 Å²	156	77%	0.767	79%	0.79	S	S	*	*			trans	-111.2	105.1	174	-41.6	0	0	0	0	106.8	G17	T15-G17 PolarHBondContact O-N 3.34Å
16	E	47.7	Very low	54.8	Low	196 Å²	196	151.9 Å²	151.9	92%	0.916	78%	0.783	S	S	*	*			trans	-78.9	106.2	164.8	-68.1	-179.8	178.7	0	0	106.3
17	G	54.1	Low	55.3	Low	56 Å²	56	148.2 Å²	148.2	58%	0.577	78%	0.777	S	S	*	*			trans	176.8	109.4	-176.5	0	0	0	0	0	112.7	T15 A19	T15-G17 PolarHBondContact O-N 3.34Å; G17-A19 VanDerWaalsContact C-N 3.34Å; G17-A19 PolarHBondContact O-N 3.43Å
18	T	42.1	Very low	55.6	Low	156 Å²	156	148.4 Å²	148.4	96%	0.957	77%	0.77	S	S	*	*	S	Bend	trans	-66	78	179.6	-49.3	0	0	0	0	111.8
19	A	51.9	Low	56.1	Low	66 Å²	66	148.4 Å²	148.4	55%	0.545	77%	0.766	S	S	.	*	S	Bend	trans	-167.1	142.4	162.2	0	0	0	0	0	110	G17 V21	G17-A19 VanDerWaalsContact C-N 3.34Å; G17-A19 PolarHBondContact O-N 3.43Å; A19-V21 HydrophobicContact CB-CG2 4.37Å; A19-V21 PolarHBondContact O-N 2.88Å
20	P	47.7	Very low	56.5	Low	137 Å²	137	145.8 Å²	145.8	89%	0.89	76%	0.756	S	S	*	*			trans	-76.2	77.8	178.7	33	-32.7	0	0	0	109.6	R22	P20-R22 PolarHBondContact O-N 3.33Å
21	V	54.1	Low	57.2	Low	122 Å²	122	146.8 Å²	146.8	74%	0.739	76%	0.762	S	S	*	*			trans	-77.7	106.7	174	-178.7	0	0	0	0	108	A19 S23	A19-V21 HydrophobicContact CB-CG2 4.37Å; A19-V21 PolarHBondContact O-N 2.88Å; V21-S23 VanDerWaalsContact C-N 3.34Å; V21-S23 PolarHBondContact O-N 3.31Å
22	R	52.5	Low	57.9	Low	236 Å²	236	144.9 Å²	144.9	89%	0.891	76%	0.757	S	S	*	*			trans	-53.3	91.1	173.8	-172	179.1	-176.2	-174	2.6	110	P20 R24	P20-R22 PolarHBondContact O-N 3.33Å; R22-R24 PolarHBondContact O-N 2.97Å; R22-R24 VanDerWaalsContact O-N 3.08Å
23	S	52.1	Low	59.2	Low	106 Å²	106	138.5 Å²	138.5	74%	0.741	74%	0.736	S	S	*	*			trans	-67.1	108.8	-175.5	66.8	0	0	0	0	110.6	V21 K25	V21-S23 VanDerWaalsContact C-N 3.34Å; V21-S23 PolarHBondContact O-N 3.31Å; S23-K25 PolarHBondContact O-N 3.24Å
24	R	55	Low	60.4	Low	226 Å²	226	131.9 Å²	131.9	85%	0.853	72%	0.719	S	S	*	*			trans	-74.2	121.3	166.9	-70.7	-176.4	-169.6	162.1	4.2	107.7	R22 T26	R22-R24 PolarHBondContact O-N 2.97Å; R22-R24 VanDerWaalsContact O-N 3.08Å; R24-T26 PolarHBondContact O-N 2.91Å; R24-T26 VanDerWaalsContact O-N 3.11Å
25	K	58.5	Low	62.2	Low	190 Å²	190	131.3 Å²	131.3	83%	0.826	72%	0.717	S	S	*	*			trans	-68.2	104.5	171	-67.5	176.6	-177	172.4	0	108.4	S23 I27	S23-K25 PolarHBondContact O-N 3.24Å; K25-I27 PolarHBondContact O-N 3.42Å
26	T	60.8	Low	63.8	Low	122 Å²	122	133.7 Å²	133.7	75%	0.748	71%	0.712	S	S	*	*			trans	-75.1	105.9	171.4	-52.2	0	0	0	0	109	R24 I28	R24-T26 PolarHBondContact O-N 2.91Å; R24-T26 VanDerWaalsContact O-N 3.11Å; T26-I28 HydrophobicContact CG2-CG1 4.41Å; T26-I28 PolarHBondContact O-N 2.89Å
27	I	65.1	Low	65.9	Low	117 Å²	117	128.8 Å²	128.8	60%	0.6	69%	0.688	S	S	*	*			trans	-80.5	104.8	174.4	-57.9	171.8	0	0	0	107.5	K25 N29	K25-I27 PolarHBondContact O-N 3.42Å; I27-N29 PolarHBondContact O-N 3.49Å
28	I	65.6	Low	67.6	Low	134 Å²	134	128.5 Å²	128.5	69%	0.687	68%	0.675	S	S	*	*			trans	-82.5	101.3	172.6	-56.9	173.8	0	0	0	107.5	T26 V30	T26-I28 HydrophobicContact CG2-CG1 4.41Å; T26-I28 PolarHBondContact O-N 2.89Å; I28-V30 HydrophobicContact CG2-CG2 4.37Å; I28-V30 PolarHBondContact O-N 3.35Å; I28-V30 VanDerWaalsContact O-N 3.14Å
29	N	67.2	Low	70	Confident	105 Å²	105	127.9 Å²	127.9	56%	0.561	66%	0.659	S	S	*	*			trans	-74.6	100.2	170.6	-77.5	-21	0	0	0	109.1	I27 T31	I27-N29 PolarHBondContact O-N 3.49Å; N29-T31 PolarHBondContact O-N 3.14Å
30	V	67.8	Low	72	Confident	105 Å²	105	131.5 Å²	131.5	64%	0.636	66%	0.662	S	S	*	*			trans	-72.2	98.1	170.1	-176.2	0	0	0	0	108	I28 T32	I28-V30 HydrophobicContact CG2-CG2 4.37Å; I28-V30 PolarHBondContact O-N 3.35Å; I28-V30 VanDerWaalsContact O-N 3.14Å; V30-T32 WeakPolarHBondContact CG1-O 3.33Å
31	T	73.4	Confident	74	Confident	126 Å²	126	130.7 Å²	130.7	77%	0.773	65%	0.646	S	S	*	*			trans	-78.2	-25.4	180	49.5	0	0	0	0	112.7	N29	N29-T31 PolarHBondContact O-N 3.14Å
32	T	78.8	Confident	75.9	Confident	101 Å²	101	132.3 Å²	132.3	62%	0.62	64%	0.643	S	S	*	*	S	Bend	trans	-88.5	125.4	-178.4	48	0	0	0	0	111.4	V30	V30-T32 WeakPolarHBondContact CG1-O 3.33Å
33	P	81.6	Confident	77.9	Confident	68 Å²	68	126.2 Å²	126.2	44%	0.442	63%	0.628	S	S	.	*	P	Polyproline II helix	trans	-64	141.7	177.9	24.3	-31.8	0	0	0	110.6	K37 V38	P33-K37 HydrophobicContact CB-CD 4.41Å; P33-V38 HydrophobicContact CB-CG2 4.21Å; P33-V38 HydrophobicContact CG-CG2 3.8Å
34	P	85.4	Confident	79.8	Confident	67 Å²	67	124 Å²	124	44%	0.435	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-54.4	145.1	176	-27.3	34.7	0	0	0	112.2	W36 K37 V38	P34-W36 VanDerWaalsContact CB-CD1 3.45Å; P34-W36 HydrophobicContact CB-CG 4.36Å; P34-W36 PolarHBondContact O-N 2.98Å; P34-K37 WeakPolarHBondContact O-CB 3.47Å; P34-K37 PolarHBondContact O-N 3.25Å; P34-V38 PolarHBondContact O-N 3.4Å
35	K	89.2	Confident	81.7	Confident	196 Å²	196	114.9 Å²	114.9	85%	0.852	59%	0.592	S	S	*	*	H	α-helix	trans	-49.9	-38.8	-179	-69	-175.7	178.1	179.5	0	113.1	K37 V38 K39	K35-K37 VanDerWaalsContact C-N 3.34Å; K35-K37 PolarHBondContact O-N 3.04Å; K35-V38 PolarHBondContact O-N 2.96Å; K35-K39 PolarHBondContact O-N 2.73Å
36	W	89.7	Confident	83.3	Confident	176 Å²	176	111.8 Å²	111.8	67%	0.667	58%	0.579	S	S	*	*	H	α-helix	trans	-65	-34.4	178.8	74.6	-97.9	0	0	0	112.9	P34 K39 K40	P34-W36 VanDerWaalsContact CB-CD1 3.45Å; P34-W36 HydrophobicContact CB-CG 4.36Å; P34-W36 PolarHBondContact O-N 2.98Å; W36-K39 PolarHBondContact O-N 3.08Å; W36-K40 HydrophobicContact CZ3-CD 4.41Å; W36-K40 WeakPolarHBondContact O-CB 3.25Å; W36-K40 PolarHBondContact O-N 3.12Å
37	K	90.8	Very high	84.9	Confident	92 Å²	92	108.6 Å²	108.6	40%	0.4	57%	0.565	S	S	.	*	H	α-helix	trans	-70.8	-41.3	177.8	-168.9	171.9	-175.9	177.3	0	110.8	P33 P34 K35 K40 Q41	P33-K37 HydrophobicContact CB-CD 4.41Å; P34-K37 WeakPolarHBondContact O-CB 3.47Å; P34-K37 PolarHBondContact O-N 3.25Å; K35-K37 VanDerWaalsContact C-N 3.34Å; K35-K37 PolarHBondContact O-N 3.04Å; K37-K40 PolarHBondContact O-N 2.82Å; K37-Q41 WeakPolarHBondContact O-CG 3.49Å; K37-Q41 PolarHBondContact O-N 3.11Å
38	V	89.7	Confident	86.3	Confident	50 Å²	50	105.8 Å²	105.8	30%	0.303	56%	0.56	S	S	.	*	H	α-helix	trans	-62.4	-44	172.9	-179.4	0	0	0	0	110.9	P33 P34 K35 K40 Q41 K42	P33-V38 HydrophobicContact CB-CG2 4.21Å; P33-V38 HydrophobicContact CG-CG2 3.8Å; P34-V38 PolarHBondContact O-N 3.4Å; K35-V38 PolarHBondContact O-N 2.96Å; V38-K40 PolarHBondContact O-N 2.96Å; V38-Q41 PolarHBondContact O-N 2.8Å; V38-K42 WeakPolarHBondContact O-CG 3.13Å; V38-K42 PolarHBondContact O-N 3.18Å
39	K	92.6	Very high	87.6	Confident	144 Å²	144	108.7 Å²	108.7	63%	0.626	56%	0.562	S	S	*	*	H	α-helix	trans	-60.1	-45.2	175.4	-173.2	178.1	179.8	180	0	111.7	K35 W36 Q41 K42 L43	K35-K39 PolarHBondContact O-N 2.73Å; W36-K39 PolarHBondContact O-N 3.08Å; K39-Q41 PolarHBondContact O-N 2.87Å; K39-K42 PolarHBondContact O-N 2.9Å; K39-L43 HydrophobicContact CG-CD1 4.36Å; K39-L43 WeakPolarHBondContact O-CG 3.39Å; K39-L43 PolarHBondContact O-N 3.47Å
40	K	93.4	Very high	88.8	Confident	142 Å²	142	108.5 Å²	108.5	62%	0.617	56%	0.557	S	S	*	*	H	α-helix	trans	-60.5	-43	176.8	-172.8	174.7	-178.7	176.1	0	112.1	W36 K37 V38 L43 A44	W36-K40 HydrophobicContact CZ3-CD 4.41Å; W36-K40 WeakPolarHBondContact O-CB 3.25Å; W36-K40 PolarHBondContact O-N 3.12Å; K37-K40 PolarHBondContact O-N 2.82Å; V38-K40 PolarHBondContact O-N 2.96Å; K40-L43 PolarHBondContact O-N 3.34Å; K40-A44 WeakPolarHBondContact O-CB 3.45Å; K40-A44 PolarHBondContact O-N 2.82Å
41	Q	91.4	Very high	90.1	Very high	119 Å²	119	106.3 Å²	106.3	56%	0.556	55%	0.551	S	S	*	*	H	α-helix	trans	-64.5	-42.3	175.7	-75.3	177.1	-16.9	0	0	112.4	K37 V38 K39 L43 A44 G45	K37-Q41 WeakPolarHBondContact O-CG 3.49Å; K37-Q41 PolarHBondContact O-N 3.11Å; V38-Q41 PolarHBondContact O-N 2.8Å; K39-Q41 PolarHBondContact O-N 2.87Å; Q41-L43 VanDerWaalsContact C-N 3.35Å; Q41-L43 PolarHBondContact O-N 3.49Å; Q41-A44 PolarHBondContact O-N 2.97Å; Q41-G45 PolarHBondContact O-N 3.23Å
42	K	93.5	Very high	91	Very high	156 Å²	156	107 Å²	107	68%	0.678	55%	0.545	S	S	*	.	H	α-helix	trans	-60.9	-42.7	175.2	-74.2	-175.2	177.6	-171.8	0	112.1	V38 K39 G45 K46	V38-K42 WeakPolarHBondContact O-CG 3.13Å; V38-K42 PolarHBondContact O-N 3.18Å; K39-K42 PolarHBondContact O-N 2.9Å; K42-G45 PolarHBondContact O-N 3.31Å; K42-K46 PolarHBondContact O-N 3.05Å
43	L	94.1	Very high	91.7	Very high	108 Å²	108	105 Å²	105	57%	0.565	53%	0.53	S	S	*	.	H	α-helix	trans	-64.3	-44.3	175.8	-71.7	171.9	0	0	0	111.8	K39 K40 Q41 G45 K46 A47	K39-L43 HydrophobicContact CG-CD1 4.36Å; K39-L43 WeakPolarHBondContact O-CG 3.39Å; K39-L43 PolarHBondContact O-N 3.47Å; K40-L43 PolarHBondContact O-N 3.34Å; Q41-L43 VanDerWaalsContact C-N 3.35Å; Q41-L43 PolarHBondContact O-N 3.49Å; L43-G45 VanDerWaalsContact C-N 3.35Å; L43-G45 PolarHBondContact O-N 2.85Å; L43-K46 PolarHBondContact O-N 3.03Å; L43-A47 WeakPolarHBondContact O-CB 3.24Å; L43-A47 PolarHBondContact O-N 3.1Å
44	A	93	Very high	92.2	Very high	59 Å²	59	104.3 Å²	104.3	49%	0.488	53%	0.531	S	S	.	.	H	α-helix	trans	-62.7	-40.9	175.6	0	0	0	0	0	112.1	K40 Q41 A47 A48	K40-A44 WeakPolarHBondContact O-CB 3.45Å; K40-A44 PolarHBondContact O-N 2.82Å; Q41-A44 PolarHBondContact O-N 2.97Å; A44-A47 PolarHBondContact O-N 2.83Å; A44-A48 WeakPolarHBondContact O-CB 3.44Å; A44-A48 PolarHBondContact O-N 3.36Å
45	G	93.2	Very high	92.7	Very high	35 Å²	35	104.1 Å²	104.1	36%	0.361	53%	0.534	S	S	.	.	H	α-helix	trans	-64.6	-38.4	175.2	0	0	0	0	0	112.8	Q41 K42 L43 R49	Q41-G45 PolarHBondContact O-N 3.23Å; K42-G45 PolarHBondContact O-N 3.31Å; L43-G45 VanDerWaalsContact C-N 3.35Å; L43-G45 PolarHBondContact O-N 2.85Å; G45-R49 WeakPolarHBondContact O-CG 3.39Å; G45-R49 PolarHBondContact O-N 2.73Å; G45-R49 VanDerWaalsContact O-N 3.15Å
46	K	93.9	Very high	92.9	Very high	126 Å²	126	99.2 Å²	99.2	55%	0.548	51%	0.513	S	S	.	.	H	α-helix	trans	-64.2	-48.5	172.9	-166.2	-170.6	-174.7	-125.6	0	111.2	K42 L43 A48 R49 E50	K42-K46 PolarHBondContact O-N 3.05Å; L43-K46 PolarHBondContact O-N 3.03Å; K46-A48 VanDerWaalsContact C-N 3.3Å; K46-A48 PolarHBondContact O-N 3.05Å; K46-R49 PolarHBondContact O-N 3.02Å; K46-E50 WeakPolarHBondContact CE-OE1 3.12Å; K46-E50 IonicContact NZ-OE1 2.69Å; K46-E50 PolarHBondContact NZ-OE1 2.99Å; K46-E50 WeakPolarHBondContact O-CG 3.48Å; K46-E50 PolarHBondContact O-N 3.43Å
47	A	94.6	Very high	93.1	Very high	54 Å²	54	92.4 Å²	92.4	45%	0.446	49%	0.488	S	S	.	.	H	α-helix	trans	-61.1	-37.9	178.2	0	0	0	0	0	112.3	L43 A44 E50 A51	L43-A47 WeakPolarHBondContact O-CB 3.24Å; L43-A47 PolarHBondContact O-N 3.1Å; A44-A47 PolarHBondContact O-N 2.83Å; A47-E50 PolarHBondContact O-N 3.29Å; A47-A51 VanDerWaalsContact O-CB 3.3Å; A47-A51 WeakPolarHBondContact O-CB 3.4Å; A47-A51 PolarHBondContact O-N 3.36Å
48	A	94	Very high	93.3	Very high	59 Å²	59	90 Å²	90	49%	0.488	49%	0.486	S	S	.	.	H	α-helix	trans	-63.7	-43.9	175.4	0	0	0	0	0	112.1	A44 K46 A51 E52	A44-A48 WeakPolarHBondContact O-CB 3.44Å; A44-A48 PolarHBondContact O-N 3.36Å; K46-A48 VanDerWaalsContact C-N 3.3Å; K46-A48 PolarHBondContact O-N 3.05Å; A48-A51 PolarHBondContact O-N 3.01Å; A48-E52 WeakPolarHBondContact O-CB 3.41Å; A48-E52 PolarHBondContact O-N 3.29Å
49	R	92.4	Very high	93.5	Very high	194 Å²	194	94.2 Å²	94.2	73%	0.732	50%	0.502	S	S	*	.	H	α-helix	trans	-64.4	-43.2	175.5	-71.3	177.5	-179.8	-176.5	-1.7	112.4	G45 K46 A51 E52 L53	G45-R49 WeakPolarHBondContact O-CG 3.39Å; G45-R49 PolarHBondContact O-N 2.73Å; G45-R49 VanDerWaalsContact O-N 3.15Å; K46-R49 PolarHBondContact O-N 3.02Å; R49-A51 VanDerWaalsContact C-N 3.33Å; R49-A51 PolarHBondContact O-N 2.87Å; R49-E52 PolarHBondContact O-N 3.25Å; R49-L53 WeakPolarHBondContact O-CB 3.37Å; R49-L53 PolarHBondContact O-N 2.9Å
50	E	92.9	Very high	93.6	Very high	101 Å²	101	87.6 Å²	87.6	47%	0.472	47%	0.474	S	S	.	.	H	α-helix	trans	-63	-39.9	176.4	-73.1	174	-177.6	0	0	111.2	K46 A47 A54	K46-E50 WeakPolarHBondContact CE-OE1 3.12Å; K46-E50 IonicContact NZ-OE1 2.69Å; K46-E50 PolarHBondContact NZ-OE1 2.99Å; K46-E50 WeakPolarHBondContact O-CG 3.48Å; K46-E50 PolarHBondContact O-N 3.43Å; A47-E50 PolarHBondContact O-N 3.29Å; E50-A54 WeakPolarHBondContact O-CB 2.98Å; E50-A54 PolarHBondContact O-N 2.76Å
51	A	93.9	Very high	93.5	Very high	60 Å²	60	88 Å²	88	50%	0.496	47%	0.471	S	S	.	.	H	α-helix	trans	-67.3	-40.3	175.5	0	0	0	0	0	112.7	A47 A48 R49 A54 A55	A47-A51 VanDerWaalsContact O-CB 3.3Å; A47-A51 WeakPolarHBondContact O-CB 3.4Å; A47-A51 PolarHBondContact O-N 3.36Å; A48-A51 PolarHBondContact O-N 3.01Å; R49-A51 VanDerWaalsContact C-N 3.33Å; R49-A51 PolarHBondContact O-N 2.87Å; A51-A54 PolarHBondContact O-N 2.65Å; A51-A55 WeakPolarHBondContact O-CB 3.4Å; A51-A55 PolarHBondContact O-N 2.85Å
52	E	93.5	Very high	93.6	Very high	141 Å²	141	89.3 Å²	89.3	66%	0.659	48%	0.478	S	S	*	.	H	α-helix	trans	-62.4	-46.2	175.4	-174.3	-176.5	171.1	0	0	111.5	A48 R49 A54 A55 K56	A48-E52 WeakPolarHBondContact O-CB 3.41Å; A48-E52 PolarHBondContact O-N 3.29Å; R49-E52 PolarHBondContact O-N 3.25Å; E52-A54 PolarHBondContact O-N 3.09Å; E52-A55 PolarHBondContact O-N 3.36Å; E52-K56 PolarHBondContact O-N 2.93Å
53	L	92.4	Very high	93.6	Very high	57 Å²	57	83.6 Å²	83.6	30%	0.298	46%	0.46	S	S	.	.	H	α-helix	trans	-61	-44.7	174.8	-176.7	161.5	0	0	0	111	R49 A55 K56 K57	R49-L53 WeakPolarHBondContact O-CB 3.37Å; R49-L53 PolarHBondContact O-N 2.9Å; L53-A55 VanDerWaalsContact C-N 3.32Å; L53-A55 PolarHBondContact O-N 3.46Å; L53-K56 PolarHBondContact O-N 3.33Å; L53-K57 HydrophobicContact CD2-CD 3.71Å; L53-K57 VanDerWaalsContact CD2-CE 3.49Å; L53-K57 HydrophobicContact CD2-CG 4.09Å; L53-K57 WeakPolarHBondContact O-CG 3.24Å; L53-K57 PolarHBondContact O-N 2.76Å
54	A	93.8	Very high	93.6	Very high	55 Å²	55	78.7 Å²	78.7	46%	0.455	43%	0.434	S	S	.	.	H	α-helix	trans	-60.8	-40.3	176.7	0	0	0	0	0	112.2	E50 A51 E52 K57 A58	E50-A54 WeakPolarHBondContact O-CB 2.98Å; E50-A54 PolarHBondContact O-N 2.76Å; A51-A54 PolarHBondContact O-N 2.65Å; E52-A54 PolarHBondContact O-N 3.09Å; A54-K57 PolarHBondContact O-N 3.05Å; A54-A58 WeakPolarHBondContact O-CB 3.37Å; A54-A58 PolarHBondContact O-N 3.25Å
55	A	94.7	Very high	93.5	Very high	62 Å²	62	79.1 Å²	79.1	51%	0.512	43%	0.434	S	S	.	.	H	α-helix	trans	-65.5	-44.8	175.6	0	0	0	0	0	112	A51 E52 L53 K57 A58 Q59	A51-A55 WeakPolarHBondContact O-CB 3.4Å; A51-A55 PolarHBondContact O-N 2.85Å; E52-A55 PolarHBondContact O-N 3.36Å; L53-A55 VanDerWaalsContact C-N 3.32Å; L53-A55 PolarHBondContact O-N 3.46Å; A55-K57 VanDerWaalsContact C-N 3.34Å; A55-K57 PolarHBondContact O-N 3.27Å; A55-A58 PolarHBondContact O-N 2.78Å; A55-Q59 PolarHBondContact O-N 3.36Å
56	K	94.1	Very high	93.4	Very high	93 Å²	93	83.2 Å²	83.2	40%	0.404	45%	0.446	S	S	.	.	H	α-helix	trans	-58	-45.2	174.7	-172.2	-170	176.4	-165.7	0	111.1	E52 L53 Q59 A60 V182 E185	E52-K56 PolarHBondContact O-N 2.93Å; L53-K56 PolarHBondContact O-N 3.33Å; K56-Q59 PolarHBondContact O-N 3.13Å; K56-A60 WeakPolarHBondContact O-CB 3.12Å; K56-A60 PolarHBondContact O-N 3.46Å; K56-V182 HydrophobicContact CD-CG1 3.96Å; K56-V182 HydrophobicContact CG-CG1 3.78Å; K56-E185 IonicContact NZ-OE2 2.81Å; K56-E185 PolarHBondContact NZ-OE2 3.45Å
57	K	94.3	Very high	93.1	Very high	33 Å²	33	80.9 Å²	80.9	14%	0.143	43%	0.434	C	S	.	.	H	α-helix	trans	-65.4	-40.3	175.4	-72.7	-168.4	178.6	-169	0	112.6	L53 A54 A55 A60 R61 V182 L183 E185	L53-K57 HydrophobicContact CD2-CD 3.71Å; L53-K57 VanDerWaalsContact CD2-CE 3.49Å; L53-K57 HydrophobicContact CD2-CG 4.09Å; L53-K57 WeakPolarHBondContact O-CG 3.24Å; L53-K57 PolarHBondContact O-N 2.76Å; A54-K57 PolarHBondContact O-N 3.05Å; A55-K57 VanDerWaalsContact C-N 3.34Å; A55-K57 PolarHBondContact O-N 3.27Å; K57-A60 PolarHBondContact O-N 2.96Å; K57-R61 WeakPolarHBondContact O-CG 3.37Å; K57-R61 PolarHBondContact O-N 2.99Å; K57-V182 WeakPolarHBondContact CE-O 3.46Å; K57-L183 HydrophobicContact CB-CD2 3.98Å; K57-L183 VanDerWaalsContact CE-O 3.23Å; K57-L183 WeakPolarHBondContact CE-O 3.45Å; K57-L183 HydrophobicContact CG-CD2 4.25Å; K57-L183 PolarHBondContact NZ-O 3.11Å; K57-L183 VanDerWaalsContact O-CD2 3.27Å; K57-L183 WeakPolarHBondContact O-CD2 3.4Å; K57-E185 WeakPolarHBondContact CE-O 3.31Å; K57-E185 PolarHBondContact NZ-O 2.81Å
58	A	94	Very high	92.7	Very high	42 Å²	42	82.6 Å²	82.6	35%	0.347	44%	0.436	S	S	.	.	H	α-helix	trans	-62.1	-44.2	176.4	0	0	0	0	0	111.5	A54 A55 R61 Q62	A54-A58 WeakPolarHBondContact O-CB 3.37Å; A54-A58 PolarHBondContact O-N 3.25Å; A55-A58 PolarHBondContact O-N 2.78Å; A58-R61 PolarHBondContact O-N 3.33Å; A58-Q62 WeakPolarHBondContact O-CG 3.3Å; A58-Q62 PolarHBondContact O-N 3.02Å; A58-Q62 VanDerWaalsContact O-N 3.11Å
59	Q	94	Very high	92.5	Very high	138 Å²	138	84.4 Å²	84.4	65%	0.645	44%	0.437	S	S	*	.	H	α-helix	trans	-61.6	-44.5	174.6	-172	-179	16.5	0	0	111.7	A55 K56 R61 Q62 A63	A55-Q59 PolarHBondContact O-N 3.36Å; K56-Q59 PolarHBondContact O-N 3.13Å; Q59-R61 PolarHBondContact O-N 3.47Å; Q59-Q62 PolarHBondContact O-N 2.99Å; Q59-A63 PolarHBondContact O-N 3.18Å
60	A	93.6	Very high	92.4	Very high	5 Å²	5	77.7 Å²	77.7	4%	0.041	42%	0.416	C	S	.	.	H	α-helix	trans	-61.6	-41.3	177.2	0	0	0	0	0	112.2	K56 K57 Q62 A63 L64 L179 V182 L183	K56-A60 WeakPolarHBondContact O-CB 3.12Å; K56-A60 PolarHBondContact O-N 3.46Å; K57-A60 PolarHBondContact O-N 2.96Å; A60-Q62 PolarHBondContact O-N 2.82Å; A60-A63 PolarHBondContact O-N 2.95Å; A60-L64 WeakPolarHBondContact O-CB 3.45Å; A60-L64 PolarHBondContact O-N 3.3Å; A60-L179 HydrophobicContact CB-CD2 4.2Å; A60-V182 HydrophobicContact CB-CB 4.18Å; A60-V182 HydrophobicContact CB-CG1 3.81Å; A60-L183 HydrophobicContact CB-CD2 3.84Å; A60-L183 HydrophobicContact CB-CG 4.3Å
61	R	93.1	Very high	92.4	Very high	150 Å²	150	74.2 Å²	74.2	57%	0.566	40%	0.402	S	S	*	.	H	α-helix	trans	-61.1	-43.7	174.9	-72.3	-177.8	-174.6	119.2	-0.9	112.3	K57 A58 Q59 L64 S65 L183	K57-R61 WeakPolarHBondContact O-CG 3.37Å; K57-R61 PolarHBondContact O-N 2.99Å; A58-R61 PolarHBondContact O-N 3.33Å; Q59-R61 PolarHBondContact O-N 3.47Å; R61-L64 PolarHBondContact O-N 3.45Å; R61-S65 PolarHBondContact O-N 3.13Å; R61-L183 HydrophobicContact CG-CD1 3.95Å; R61-L183 HydrophobicContact CG-CD2 3.54Å; R61-L183 HydrophobicContact CG-CG 4.42Å
62	Q	93.5	Very high	92.3	Very high	147 Å²	147	74.2 Å²	74.2	69%	0.687	40%	0.395	S	S	*	.	H	α-helix	trans	-62.6	-45.9	177.7	-70.5	175.1	3.1	0	0	111.2	A58 Q59 A60 L64 S65	A58-Q62 WeakPolarHBondContact O-CG 3.3Å; A58-Q62 PolarHBondContact O-N 3.02Å; A58-Q62 VanDerWaalsContact O-N 3.11Å; Q59-Q62 PolarHBondContact O-N 2.99Å; A60-Q62 PolarHBondContact O-N 2.82Å; Q62-L64 VanDerWaalsContact C-N 3.34Å; Q62-L64 PolarHBondContact O-N 3.01Å; Q62-S65 WeakPolarHBondContact O-CB 3.43Å; Q62-S65 PolarHBondContact O-N 2.67Å
63	A	93.5	Very high	92.3	Very high	37 Å²	37	70.6 Å²	70.6	31%	0.306	38%	0.38	S	S	.	.	H	α-helix	trans	-63.9	-39.2	176.8	0	0	0	0	0	112.3	Q59 A60 S65 L179	Q59-A63 PolarHBondContact O-N 3.18Å; A60-A63 PolarHBondContact O-N 2.95Å; A63-S65 VanDerWaalsContact C-N 3.31Å; A63-S65 PolarHBondContact O-N 3.29Å; A63-L179 HydrophobicContact CB-CD1 3.77Å; A63-L179 HydrophobicContact CB-CD2 4Å
64	L	92.9	Very high	92.4	Very high	4 Å²	4	72.7 Å²	72.7	2%	0.021	39%	0.392	C	S	.	.	H	α-helix	trans	-68.7	-29.3	-179.3	-168.9	66.4	0	0	0	112.6	A60 R61 Q62 I66 Y67 L68 K176 L179 L183	A60-L64 WeakPolarHBondContact O-CB 3.45Å; A60-L64 PolarHBondContact O-N 3.3Å; R61-L64 PolarHBondContact O-N 3.45Å; Q62-L64 VanDerWaalsContact C-N 3.34Å; Q62-L64 PolarHBondContact O-N 3.01Å; L64-I66 PolarHBondContact O-N 3.03Å; L64-I66 VanDerWaalsContact O-N 3.16Å; L64-Y67 PolarHBondContact O-N 2.93Å; L64-L68 HydrophobicContact CB-CD1 4.34Å; L64-L68 HydrophobicContact CD2-CD1 3.72Å; L64-L68 HydrophobicContact CG-CD1 3.55Å; L64-L68 HydrophobicContact CG-CG 4.07Å; L64-L68 PolarHBondContact O-N 3.4Å; L64-K176 HydrophobicContact CD1-CB 4.32Å; L64-K176 HydrophobicContact CD1-CG 3.5Å; L64-L179 HydrophobicContact CB-CB 4.48Å; L64-L179 HydrophobicContact CB-CD1 4.38Å; L64-L179 HydrophobicContact CD1-CB 4.04Å; L64-L179 HydrophobicContact CD1-CD1 4.37Å; L64-L183 HydrophobicContact CD2-CD1 3.77Å
65	S	91.3	Very high	92.4	Very high	69 Å²	69	74.8 Å²	74.8	48%	0.483	39%	0.392	S	S	.	.	H	α-helix	trans	-52.8	-37.2	179.9	-177.6	0	0	0	0	113	R61 Q62 A63 Y67 L68	R61-S65 PolarHBondContact O-N 3.13Å; Q62-S65 WeakPolarHBondContact O-CB 3.43Å; Q62-S65 PolarHBondContact O-N 2.67Å; A63-S65 VanDerWaalsContact C-N 3.31Å; A63-S65 PolarHBondContact O-N 3.29Å; S65-Y67 VanDerWaalsContact C-N 3.26Å; S65-Y67 PolarHBondContact O-N 3.02Å; S65-L68 PolarHBondContact O-N 2.8Å
66	I	91	Very high	92.4	Very high	121 Å²	121	71.9 Å²	71.9	62%	0.621	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-35.9	178.6	-61.1	174.9	0	0	0	111.6	L64 N69	L64-I66 PolarHBondContact O-N 3.03Å; L64-I66 VanDerWaalsContact O-N 3.16Å; I66-N69 PolarHBondContact O-ND2 3.38Å
67	Y	87.7	Confident	92.5	Very high	76 Å²	76	67.6 Å²	67.6	30%	0.298	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-87.2	-19.5	-177.4	-57.8	-73.9	0	0	0	113.4	L64 S65 N69 Q172 I175 L179	L64-Y67 PolarHBondContact O-N 2.93Å; S65-Y67 VanDerWaalsContact C-N 3.26Å; S65-Y67 PolarHBondContact O-N 3.02Å; Y67-N69 VanDerWaalsContact C-N 3.29Å; Y67-N69 PolarHBondContact O-N 3.16Å; Y67-Q172 HydrophobicContact CD1-CB 4.25Å; Y67-Q172 HydrophobicContact CD1-CG 4.5Å; Y67-Q172 HydrophobicContact CE1-CB 4.07Å; Y67-Q172 HydrophobicContact CE1-CG 4Å; Y67-I175 HydrophobicContact CE2-CG2 3.9Å; Y67-L179 HydrophobicContact CD2-CD1 4.4Å; Y67-L179 HydrophobicContact CE2-CD1 4.2Å
68	L	87.2	Confident	92.5	Very high	91 Å²	91	69.9 Å²	69.9	48%	0.476	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-88.1	12.3	-179.7	-72.5	163.5	0	0	0	113.7	L64 S65 L70	L64-L68 HydrophobicContact CB-CD1 4.34Å; L64-L68 HydrophobicContact CD2-CD1 3.72Å; L64-L68 HydrophobicContact CG-CD1 3.55Å; L64-L68 HydrophobicContact CG-CG 4.07Å; L64-L68 PolarHBondContact O-N 3.4Å; S65-L68 PolarHBondContact O-N 2.8Å; L68-L70 VanDerWaalsContact C-N 3.25Å; L68-L70 PolarHBondContact O-N 3.43Å
69	N	88	Confident	92.5	Very high	97 Å²	97	69.2 Å²	69.2	52%	0.519	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-69.5	-18.8	-178.8	-79.8	-46.4	0	0	0	114.4	I66 Y67 R122	I66-N69 PolarHBondContact O-ND2 3.38Å; Y67-N69 VanDerWaalsContact C-N 3.29Å; Y67-N69 PolarHBondContact O-N 3.16Å; N69-R122 PolarHBondContact O-NH1 2.82Å; N69-R122 PolarHBondContact O-NH2 3.31Å
70	L	90.1	Very high	92.5	Very high	53 Å²	53	62.7 Å²	62.7	28%	0.277	32%	0.324	S	S	.	.	S	Bend	trans	-108.5	150.6	177.1	-80.4	83	0	0	0	110	L68 K125 A126	L68-L70 VanDerWaalsContact C-N 3.25Å; L68-L70 PolarHBondContact O-N 3.43Å; L70-K125 HydrophobicContact CD2-CB 3.74Å; L70-A126 HydrophobicContact CD2-CB 4.28Å
71	P	93.1	Very high	92.4	Very high	28 Å²	28	65.8 Å²	65.8	18%	0.182	34%	0.337	C	S	.	.			trans	-59.6	158.2	170.2	28.8	-34.1	0	0	0	110.3	E75 A76 R122 A126	P71-E75 VanDerWaalsContact CA-OE2 3.3Å; P71-E75 WeakPolarHBondContact CA-OE2 3.44Å; P71-E75 HydrophobicContact CB-CB 4.01Å; P71-E75 VanDerWaalsContact CB-OE2 3.29Å; P71-E75 WeakPolarHBondContact CB-OE2 3.46Å; P71-A76 HydrophobicContact CG-CB 4.48Å; P71-R122 HydrophobicContact CG-CB 4.36Å; P71-A126 HydrophobicContact CG-CB 3.92Å; P71-A126 WeakPolarHBondContact O-CB 3.3Å
72	T	93.1	Very high	92.5	Very high	59 Å²	59	62.9 Å²	62.9	36%	0.362	34%	0.338	S	S	.	.			trans	-64.4	161.8	172.8	67	0	0	0	0	110.4	D74 E75 A76	T72-D74 VanDerWaalsContact C-N 3.26Å; T72-D74 PolarHBondContact O-N 2.97Å; T72-E75 PolarHBondContact N-OE2 3.42Å; T72-E75 VanDerWaalsContact N-OE2 3.08Å; T72-E75 PolarHBondContact O-N 3.42Å; T72-E75 WeakPolarHBondContact OG1-CB 3.46Å; T72-E75 VanDerWaalsContact OG1-CD 3.32Å; T72-E75 WeakPolarHBondContact OG1-CG 3.46Å; T72-E75 PolarHBondContact OG1-N 3.44Å; T72-E75 VanDerWaalsContact OG1-N 3.16Å; T72-A76 WeakPolarHBondContact O-CB 3.26Å; T72-A76 PolarHBondContact O-N 3.37Å
73	L	92.7	Very high	92.5	Very high	66 Å²	66	59.7 Å²	59.7	35%	0.346	32%	0.319	S	S	.	.	H	α-helix	trans	-59	-43.9	177.1	177.3	60.7	0	0	0	110.6	A76 V77 P93 I127	L73-A76 WeakPolarHBondContact O-CB 3.38Å; L73-A76 PolarHBondContact O-N 2.94Å; L73-V77 HydrophobicContact CD1-CG2 4.18Å; L73-V77 HydrophobicContact CG-CG2 4.4Å; L73-V77 VanDerWaalsContact O-CG2 3.3Å; L73-V77 WeakPolarHBondContact O-CG2 3.31Å; L73-V77 PolarHBondContact O-N 2.97Å; L73-P93 HydrophobicContact CD1-CG 4.18Å; L73-I127 HydrophobicContact CD1-CG1 4.04Å
74	D	94	Very high	92.5	Very high	100 Å²	100	58.3 Å²	58.3	54%	0.535	31%	0.306	S	S	.	.	H	α-helix	trans	-60.7	-48	177.5	-179.2	72.8	0	0	0	112.1	T72 A76 V77 N78	T72-D74 VanDerWaalsContact C-N 3.26Å; T72-D74 PolarHBondContact O-N 2.97Å; D74-A76 VanDerWaalsContact C-N 3.26Å; D74-A76 PolarHBondContact O-N 2.88Å; D74-V77 PolarHBondContact O-N 2.97Å; D74-N78 VanDerWaalsContact O-CB 3.31Å; D74-N78 WeakPolarHBondContact O-CB 3.31Å; D74-N78 PolarHBondContact O-N 3Å; D74-N78 PolarHBondContact O-ND2 2.88Å; D74-N78 VanDerWaalsContact O-ND2 3.16Å; D74-N78 PolarHBondContact OD1-ND2 3.19Å; D74-N78 PolarHBondContact OD2-ND2 2.95Å
75	E	94.4	Very high	92.5	Very high	100 Å²	100	62.2 Å²	62.2	47%	0.467	33%	0.332	S	S	.	.	H	α-helix	trans	-58.7	-38.1	174.6	-76.2	166.3	-165.5	0	0	112.5	P71 T72 T79	P71-E75 VanDerWaalsContact CA-OE2 3.3Å; P71-E75 WeakPolarHBondContact CA-OE2 3.44Å; P71-E75 HydrophobicContact CB-CB 4.01Å; P71-E75 VanDerWaalsContact CB-OE2 3.29Å; P71-E75 WeakPolarHBondContact CB-OE2 3.46Å; T72-E75 PolarHBondContact N-OE2 3.42Å; T72-E75 VanDerWaalsContact N-OE2 3.08Å; T72-E75 PolarHBondContact O-N 3.42Å; T72-E75 WeakPolarHBondContact OG1-CB 3.46Å; T72-E75 VanDerWaalsContact OG1-CD 3.32Å; T72-E75 WeakPolarHBondContact OG1-CG 3.46Å; T72-E75 PolarHBondContact OG1-N 3.44Å; T72-E75 VanDerWaalsContact OG1-N 3.16Å; E75-T79 VanDerWaalsContact O-CB 3.31Å; E75-T79 WeakPolarHBondContact O-CB 3.31Å; E75-T79 PolarHBondContact O-N 3.27Å; E75-T79 PolarHBondContact O-OG1 3.45Å
76	A	95.1	Very high	92.6	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-69.5	-43.6	178.4	0	0	0	0	0	111.9	P71 T72 L73 D74 T79 L80 A123 A126 I127	P71-A76 HydrophobicContact CG-CB 4.48Å; T72-A76 WeakPolarHBondContact O-CB 3.26Å; T72-A76 PolarHBondContact O-N 3.37Å; L73-A76 WeakPolarHBondContact O-CB 3.38Å; L73-A76 PolarHBondContact O-N 2.94Å; D74-A76 VanDerWaalsContact C-N 3.26Å; D74-A76 PolarHBondContact O-N 2.88Å; A76-T79 PolarHBondContact O-N 3.38Å; A76-L80 WeakPolarHBondContact O-CG 3.44Å; A76-L80 PolarHBondContact O-N 3.04Å; A76-A123 HydrophobicContact CB-CB 3.95Å; A76-A126 HydrophobicContact CB-CB 3.82Å; A76-I127 HydrophobicContact CB-CD1 4.32Å; A76-I127 HydrophobicContact CB-CG1 4.03Å
77	V	95.1	Very high	92.8	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.024	29%	0.292	C	S	.	.	H	α-helix	trans	-62.4	-50.8	175	172.3	0	0	0	0	109.8	L73 D74 T79 L80 K81 F88 P93	L73-V77 HydrophobicContact CD1-CG2 4.18Å; L73-V77 HydrophobicContact CG-CG2 4.4Å; L73-V77 VanDerWaalsContact O-CG2 3.3Å; L73-V77 WeakPolarHBondContact O-CG2 3.31Å; L73-V77 PolarHBondContact O-N 2.97Å; D74-V77 PolarHBondContact O-N 2.97Å; V77-T79 PolarHBondContact O-N 2.89Å; V77-T79 VanDerWaalsContact O-N 3.16Å; V77-L80 PolarHBondContact O-N 3.31Å; V77-K81 HydrophobicContact CG1-CB 4.27Å; V77-K81 HydrophobicContact CG1-CD 4.14Å; V77-K81 WeakPolarHBondContact O-CB 3.33Å; V77-K81 PolarHBondContact O-N 3.43Å; V77-F88 HydrophobicContact CB-CE1 4.28Å; V77-F88 HydrophobicContact CG1-CD1 4.01Å; V77-F88 HydrophobicContact CG1-CE1 4.09Å; V77-F88 HydrophobicContact CG2-CD1 4.28Å; V77-F88 HydrophobicContact CG2-CE1 3.91Å; V77-P93 HydrophobicContact CG2-CG 3.96Å
78	N	94.5	Very high	93.1	Very high	81 Å²	81	51.5 Å²	51.5	43%	0.433	28%	0.281	S	S	.	.	H	α-helix	trans	-62.3	-25.5	179	-72.2	-35.4	0	0	0	113.2	D74 P82	D74-N78 VanDerWaalsContact O-CB 3.31Å; D74-N78 WeakPolarHBondContact O-CB 3.31Å; D74-N78 PolarHBondContact O-N 3Å; D74-N78 PolarHBondContact O-ND2 2.88Å; D74-N78 VanDerWaalsContact O-ND2 3.16Å; D74-N78 PolarHBondContact OD1-ND2 3.19Å; D74-N78 PolarHBondContact OD2-ND2 2.95Å; N78-P82 WeakPolarHBondContact O-CD 3.48Å; N78-P82 WeakPolarHBondContact O-CG 3.5Å
79	T	94	Very high	93.3	Very high	27 Å²	27	52 Å²	52	17%	0.166	28%	0.284	C	S	.	.	H	α-helix	trans	-74.1	-36.1	174.2	-63.5	0	0	0	0	112.6	E75 A76 V77 W83 L115 K119	E75-T79 VanDerWaalsContact O-CB 3.31Å; E75-T79 WeakPolarHBondContact O-CB 3.31Å; E75-T79 PolarHBondContact O-N 3.27Å; E75-T79 PolarHBondContact O-OG1 3.45Å; A76-T79 PolarHBondContact O-N 3.38Å; V77-T79 PolarHBondContact O-N 2.89Å; V77-T79 VanDerWaalsContact O-N 3.16Å; T79-W83 VanDerWaalsContact O-CD1 3.31Å; T79-L115 HydrophobicContact CG2-CD1 3.47Å; T79-L115 VanDerWaalsContact CG2-CD1 3.47Å; T79-L115 HydrophobicContact CG2-CD2 4.48Å; T79-K119 HydrophobicContact CG2-CD 4.37Å; T79-K119 HydrophobicContact CG2-CG 4.21Å
80	L	93.9	Very high	93.4	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-101.2	-36.4	-170.9	-61.3	-175.7	0	0	0	113.5	A76 V77 P82 W83 W84 F88 L115 L120 A123 L124 I127	A76-L80 WeakPolarHBondContact O-CG 3.44Å; A76-L80 PolarHBondContact O-N 3.04Å; V77-L80 PolarHBondContact O-N 3.31Å; L80-P82 VanDerWaalsContact C-N 3.33Å; L80-W83 PolarHBondContact O-N 2.98Å; L80-W84 HydrophobicContact CB-CE3 4.34Å; L80-W84 HydrophobicContact CD2-CE3 4.15Å; L80-W84 HydrophobicContact CD2-CZ3 3.72Å; L80-W84 PolarHBondContact O-N 3.42Å; L80-F88 HydrophobicContact CB-CE2 3.81Å; L80-F88 HydrophobicContact CB-CZ 3.64Å; L80-F88 HydrophobicContact CD1-CZ 4.31Å; L80-L115 HydrophobicContact CD2-CD2 4.21Å; L80-L120 HydrophobicContact CD2-CD1 3.47Å; L80-L120 VanDerWaalsContact CD2-CD1 3.47Å; L80-A123 HydrophobicContact CD1-CB 4.03Å; L80-A123 HydrophobicContact CD2-CB 4.18Å; L80-A123 HydrophobicContact CG-CB 4.01Å; L80-L124 HydrophobicContact CD1-CD2 3.97Å; L80-L124 HydrophobicContact CD1-CG 4.47Å; L80-I127 HydrophobicContact CD1-CD1 3.59Å
81	K	93.3	Very high	93.4	Very high	70 Å²	70	52 Å²	52	30%	0.304	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-38.9	-177.8	-175.5	179.3	-176.9	-179.2	0	114	V77 W83 F88 G90 D91	V77-K81 HydrophobicContact CG1-CB 4.27Å; V77-K81 HydrophobicContact CG1-CD 4.14Å; V77-K81 WeakPolarHBondContact O-CB 3.33Å; V77-K81 PolarHBondContact O-N 3.43Å; K81-W83 PolarHBondContact O-N 3.28Å; K81-F88 HydrophobicContact CB-CD2 4.04Å; K81-F88 HydrophobicContact CB-CE2 4.22Å; K81-F88 HydrophobicContact CB-CG 4.47Å; K81-F88 HydrophobicContact CG-CD2 4.35Å; K81-G90 WeakPolarHBondContact CE-O 3.3Å; K81-G90 PolarHBondContact NZ-O 3.02Å; K81-D91 IonicContact NZ-OD1 3.96Å; K81-D91 PolarHBondContact NZ-OD1 3.08Å
82	P	93.5	Very high	93.4	Very high	89 Å²	89	54.6 Å²	54.6	58%	0.578	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-26.3	176.8	-24.7	36.1	0	0	0	114.4	N78 L80	N78-P82 WeakPolarHBondContact O-CD 3.48Å; N78-P82 WeakPolarHBondContact O-CG 3.5Å; L80-P82 VanDerWaalsContact C-N 3.33Å
83	W	93.7	Very high	93.4	Very high	80 Å²	80	52.1 Å²	52.1	30%	0.303	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-35.7	-173.7	-55.4	107.3	0	0	0	112.7	T79 L80 K81 R111 I113 P114	T79-W83 VanDerWaalsContact O-CD1 3.31Å; L80-W83 PolarHBondContact O-N 2.98Å; K81-W83 PolarHBondContact O-N 3.28Å; W83-R111 PolarHBondContact O-NH1 3.16Å; W83-R111 PolarHBondContact O-NH2 3.2Å; W83-I113 HydrophobicContact CB-CD1 4.11Å; W83-I113 HydrophobicContact CD2-CB 4.46Å; W83-I113 HydrophobicContact CD2-CD1 3.82Å; W83-I113 HydrophobicContact CD2-CG1 4.1Å; W83-I113 HydrophobicContact CD2-CG2 3.54Å; W83-I113 HydrophobicContact CE3-CB 4.38Å; W83-I113 HydrophobicContact CE3-CD1 3.6Å; W83-I113 HydrophobicContact CE3-CG1 3.66Å; W83-I113 HydrophobicContact CE3-CG2 3.9Å; W83-I113 HydrophobicContact CG-CD1 4.02Å; W83-I113 HydrophobicContact CG-CG2 4.07Å; W83-I113 HydrophobicContact CH2-CG1 4.49Å; W83-I113 HydrophobicContact CH2-CG2 3.97Å; W83-I113 HydrophobicContact CZ2-CG2 3.63Å; W83-I113 HydrophobicContact CZ3-CB 4.44Å; W83-I113 HydrophobicContact CZ3-CD1 4.33Å; W83-I113 HydrophobicContact CZ3-CG1 3.88Å; W83-I113 HydrophobicContact CZ3-CG2 4.1Å; W83-P114 HydrophobicContact CH2-CG 4.4Å; W83-P114 HydrophobicContact CZ2-CG 4.14Å
84	W	94.1	Very high	93.5	Very high	8 Å²	8	52.3 Å²	52.3	3%	0.03	29%	0.292	C	S	.	.			trans	-134.6	72.4	-177.6	-54.7	-73.6	0	0	0	111	L80 G86 L87 F88 L104 D107 V108 I113 L115 L120 T146	L80-W84 HydrophobicContact CB-CE3 4.34Å; L80-W84 HydrophobicContact CD2-CE3 4.15Å; L80-W84 HydrophobicContact CD2-CZ3 3.72Å; L80-W84 PolarHBondContact O-N 3.42Å; W84-G86 PolarHBondContact O-N 3.37Å; W84-L87 HydrophobicContact CB-CD1 3.79Å; W84-L87 HydrophobicContact CB-CG 4.08Å; W84-L87 HydrophobicContact CG-CD1 4.39Å; W84-L87 PolarHBondContact O-N 2.88Å; W84-F88 WeakPolarHBondContact O-CD2 3.43Å; W84-L104 HydrophobicContact CD2-CD2 3.25Å; W84-L104 HydrophobicContact CE3-CD2 3.73Å; W84-L104 HydrophobicContact CG-CD2 3.62Å; W84-L104 HydrophobicContact CH2-CB 4.23Å; W84-L104 HydrophobicContact CH2-CD2 4.01Å; W84-L104 HydrophobicContact CZ2-CB 4.09Å; W84-L104 HydrophobicContact CZ2-CD2 3.57Å; W84-L104 HydrophobicContact CZ2-CG 4.43Å; W84-L104 HydrophobicContact CZ3-CD2 4.09Å; W84-D107 HydrophobicContact CZ2-CB 4.35Å; W84-D107 PolarHBondContact NE1-OD2 3.23Å; W84-V108 HydrophobicContact CH2-CG2 3.6Å; W84-V108 HydrophobicContact CZ2-CG2 3.91Å; W84-I113 HydrophobicContact CH2-CD1 4.28Å; W84-I113 HydrophobicContact CZ2-CD1 3.98Å; W84-L115 HydrophobicContact CH2-CD2 4.19Å; W84-L115 HydrophobicContact CZ3-CD2 4.11Å; W84-L120 HydrophobicContact CH2-CD1 4.23Å; W84-L120 HydrophobicContact CZ3-CD1 4.04Å; W84-T146 HydrophobicContact CG-CG2 4.15Å
85	P	93.7	Very high	93.5	Very high	87 Å²	87	48 Å²	48	57%	0.565	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-63.1	-28.8	-179.4	25.5	-34.5	0	0	0	112.8	L87 F88	P85-L87 PolarHBondContact O-N 3.34Å; P85-L87 VanDerWaalsContact O-N 3.13Å; P85-F88 PolarHBondContact O-N 2.8Å
86	G	92.8	Very high	93.6	Very high	25 Å²	25	43.7 Å²	43.7	26%	0.258	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-61.1	-20.1	178.8	0	0	0	0	0	114.6	W84 F88 R94	W84-G86 PolarHBondContact O-N 3.37Å; G86-F88 VanDerWaalsContact C-N 3.27Å; G86-F88 PolarHBondContact O-N 2.91Å; G86-R94 WeakPolarHBondContact O-CD 3.42Å
87	L	94.1	Very high	93.6	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-80.7	-5	175.8	-62.4	179.3	0	0	0	113.9	W84 P85 R94 L96 I100 L104 D145 T146	W84-L87 HydrophobicContact CB-CD1 3.79Å; W84-L87 HydrophobicContact CB-CG 4.08Å; W84-L87 HydrophobicContact CG-CD1 4.39Å; W84-L87 PolarHBondContact O-N 2.88Å; P85-L87 PolarHBondContact O-N 3.34Å; P85-L87 VanDerWaalsContact O-N 3.13Å; L87-R94 WeakPolarHBondContact O-CB 3.28Å; L87-R94 PolarHBondContact O-N 3.25Å; L87-L96 HydrophobicContact CB-CD2 4.29Å; L87-L96 HydrophobicContact CD1-CD2 4.13Å; L87-L96 HydrophobicContact CD2-CD2 3.92Å; L87-L96 HydrophobicContact CG-CD2 4.35Å; L87-I100 HydrophobicContact CD1-CD1 3.75Å; L87-I100 HydrophobicContact CD2-CD1 3.4Å; L87-I100 HydrophobicContact CG-CD1 4.22Å; L87-L104 HydrophobicContact CD1-CD2 4.23Å; L87-D145 WeakPolarHBondContact CD2-O 3.39Å; L87-T146 HydrophobicContact CD1-CG2 4.34Å
88	F	94.1	Very high	93.4	Very high	14 Å²	14	47.3 Å²	47.3	6%	0.061	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	141.8	-175.5	-58.2	-85.1	0	0	0	110.4	V77 L80 K81 W84 P85 G86 T92 P93 I127	V77-F88 HydrophobicContact CB-CE1 4.28Å; V77-F88 HydrophobicContact CG1-CD1 4.01Å; V77-F88 HydrophobicContact CG1-CE1 4.09Å; V77-F88 HydrophobicContact CG2-CD1 4.28Å; V77-F88 HydrophobicContact CG2-CE1 3.91Å; L80-F88 HydrophobicContact CB-CE2 3.81Å; L80-F88 HydrophobicContact CB-CZ 3.64Å; L80-F88 HydrophobicContact CD1-CZ 4.31Å; K81-F88 HydrophobicContact CB-CD2 4.04Å; K81-F88 HydrophobicContact CB-CE2 4.22Å; K81-F88 HydrophobicContact CB-CG 4.47Å; K81-F88 HydrophobicContact CG-CD2 4.35Å; W84-F88 WeakPolarHBondContact O-CD2 3.43Å; P85-F88 PolarHBondContact O-N 2.8Å; G86-F88 VanDerWaalsContact C-N 3.27Å; G86-F88 PolarHBondContact O-N 2.91Å; F88-T92 WeakPolarHBondContact CA-O 3.46Å; F88-P93 HydrophobicContact CD1-CB 4.05Å; F88-P93 HydrophobicContact CD1-CG 4.2Å; F88-P93 HydrophobicContact CE1-CB 3.93Å; F88-P93 HydrophobicContact CE1-CG 4.04Å; F88-I127 HydrophobicContact CE1-CD1 3.97Å; F88-I127 HydrophobicContact CZ-CD1 4.03Å
89	D	91.4	Very high	93.3	Very high	101 Å²	101	45.7 Å²	45.7	54%	0.54	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	90.6	166.3	-161.8	32.2	0	0	0	107.9	D91 T92 R94	D89-D91 PolarHBondContact O-N 3.16Å; D89-D91 VanDerWaalsContact O-N 3.14Å; D89-T92 PolarHBondContact N-O 3.16Å; D89-T92 PolarHBondContact O-N 2.83Å; D89-R94 HydrophobicContact CB-CG 4.29Å; D89-R94 IonicContact OD1-CZ 3.63Å; D89-R94 IonicContact OD1-NH2 2.65Å; D89-R94 PolarHBondContact OD1-NH2 2.65Å; D89-R94 IonicContact OD2-NH2 3.85Å
90	G	90.6	Very high	93.3	Very high	48 Å²	48	45 Å²	45	50%	0.495	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	-109	-167.3	0	0	0	0	0	111.6	K81	K81-G90 WeakPolarHBondContact CE-O 3.3Å; K81-G90 PolarHBondContact NZ-O 3.02Å
91	D	90.6	Very high	93.2	Very high	103 Å²	103	50.7 Å²	50.7	55%	0.551	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-0.8	175	-61.5	-42	0	0	0	112.9	K81 D89 P93	K81-D91 IonicContact NZ-OD1 3.96Å; K81-D91 PolarHBondContact NZ-OD1 3.08Å; D89-D91 PolarHBondContact O-N 3.16Å; D89-D91 VanDerWaalsContact O-N 3.14Å; D91-P93 WeakPolarHBondContact O-CD 3.45Å
92	T	91.8	Very high	93.3	Very high	83 Å²	83	50.6 Å²	50.6	51%	0.509	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	119.3	179.9	-53.8	0	0	0	0	109.8	F88 D89 R94	F88-T92 WeakPolarHBondContact CA-O 3.46Å; D89-T92 PolarHBondContact N-O 3.16Å; D89-T92 PolarHBondContact O-N 2.83Å; T92-R94 PolarHBondContact O-N 3.04Å
93	P	93.6	Very high	93.3	Very high	7 Å²	7	49.8 Å²	49.8	5%	0.045	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	131.9	175.2	-16.1	28.6	0	0	0	111.3	L73 V77 F88 D91 I127 Y133	L73-P93 HydrophobicContact CD1-CG 4.18Å; V77-P93 HydrophobicContact CG2-CG 3.96Å; F88-P93 HydrophobicContact CD1-CB 4.05Å; F88-P93 HydrophobicContact CD1-CG 4.2Å; F88-P93 HydrophobicContact CE1-CB 3.93Å; F88-P93 HydrophobicContact CE1-CG 4.04Å; D91-P93 WeakPolarHBondContact O-CD 3.45Å; P93-I127 HydrophobicContact CB-CG2 3.45Å; P93-I127 VanDerWaalsContact CB-CG2 3.45Å; P93-I127 HydrophobicContact CG-CG1 4.14Å; P93-I127 HydrophobicContact CG-CG2 3.75Å; P93-Y133 HydrophobicContact CB-CD2 4.41Å
94	R	94.7	Very high	93.3	Very high	69 Å²	69	46 Å²	46	26%	0.26	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-73.8	158.5	170	-64.3	176.1	176.8	-96.9	-8.6	109.8	G86 L87 D89 T92 L96 Y133 Y144	G86-R94 WeakPolarHBondContact O-CD 3.42Å; L87-R94 WeakPolarHBondContact O-CB 3.28Å; L87-R94 PolarHBondContact O-N 3.25Å; D89-R94 HydrophobicContact CB-CG 4.29Å; D89-R94 IonicContact OD1-CZ 3.63Å; D89-R94 IonicContact OD1-NH2 2.65Å; D89-R94 PolarHBondContact OD1-NH2 2.65Å; D89-R94 IonicContact OD2-NH2 3.85Å; T92-R94 PolarHBondContact O-N 3.04Å; R94-L96 PolarHBondContact O-N 3.42Å; R94-Y133 WeakPolarHBondContact O-CE2 3.35Å; R94-Y144 HydrophobicContact CB-CD2 3.75Å; R94-Y144 HydrophobicContact CB-CE2 4.38Å; R94-Y144 HydrophobicContact CB-CG 4.23Å; R94-Y144 HydrophobicContact CG-CD2 4.32Å
95	L	95.6	Very high	93.3	Very high	9 Å²	9	47.1 Å²	47.1	5%	0.047	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-64.2	128.1	173.5	-62.9	178.7	0	0	0	109	Y133 A136 M137 A141 C142 R143 Y144 I154	L95-Y133 HydrophobicContact CD2-CD1 4.26Å; L95-Y133 HydrophobicContact CD2-CD2 4.36Å; L95-Y133 HydrophobicContact CD2-CE1 3.9Å; L95-Y133 HydrophobicContact CD2-CE2 4.05Å; L95-Y133 HydrophobicContact CD2-CG 4.47Å; L95-A136 HydrophobicContact CD2-CB 3.97Å; L95-A136 HydrophobicContact CG-CB 4.31Å; L95-M137 HydrophobicContact CD2-CG 3.6Å; L95-A141 HydrophobicContact CD1-CB 3.65Å; L95-C142 WeakPolarHBondContact CB-O 3.33Å; L95-R143 HydrophobicContact CB-CG 4.28Å; L95-R143 CarbonylContact O-C 3.54Å; L95-R143 WeakPolarHBondContact O-CA 3.49Å; L95-Y144 PolarHBondContact O-N 3.33Å; L95-I154 HydrophobicContact CD1-CD1 4.14Å; L95-I154 HydrophobicContact CD1-CG1 3.66Å
96	L	95.5	Very high	93.3	Very high	11 Å²	11	48.8 Å²	48.8	6%	0.058	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-84.4	143.3	-172.4	-56.5	175.8	0	0	0	111.5	L87 R94 I100 L124 T128 Y133 R143	L87-L96 HydrophobicContact CB-CD2 4.29Å; L87-L96 HydrophobicContact CD1-CD2 4.13Å; L87-L96 HydrophobicContact CD2-CD2 3.92Å; L87-L96 HydrophobicContact CG-CD2 4.35Å; R94-L96 PolarHBondContact O-N 3.42Å; L96-I100 HydrophobicContact CB-CD1 4.45Å; L96-I100 HydrophobicContact CB-CG2 3.96Å; L96-I100 HydrophobicContact CD1-CG2 4.23Å; L96-I100 HydrophobicContact CD2-CD1 4.25Å; L96-L124 HydrophobicContact CD1-CD2 3.8Å; L96-T128 HydrophobicContact CD1-CG2 4.22Å; L96-Y133 HydrophobicContact CG-CE2 4.07Å; L96-Y133 PolarHBondContact N-OH 3.41Å; L96-R143 WeakPolarHBondContact O-CD 3.47Å; L96-R143 PolarHBondContact O-NH1 3.46Å
97	A	94.4	Very high	93.4	Very high	12 Å²	12	49.2 Å²	49.2	10%	0.099	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-55.4	147.6	168.7	0	0	0	0	0	112.1	I100 Y144 D145 T151	A97-I100 HydrophobicContact CB-CB 4.46Å; A97-I100 WeakPolarHBondContact O-CB 3.45Å; A97-I100 PolarHBondContact O-N 3.3Å; A97-Y144 PolarHBondContact N-O 3.29Å; A97-D145 HydrophobicContact CB-CB 4.37Å; A97-T151 HydrophobicContact CB-CG2 4.01Å; A97-T151 WeakPolarHBondContact CB-OG1 3.41Å
98	C	92.2	Very high	93.4	Very high	67 Å²	67	49.6 Å²	49.6	45%	0.453	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	138.5	172.2	-71	0	0	0	0	109.7	I100 E152	C98-I100 PolarHBondContact O-N 3.17Å; C98-E152 WeakPolarHBondContact CB-OE1 3.38Å; C98-E152 PolarHBondContact SG-OE2 3.19Å
99	G	91.9	Very high	93.3	Very high	48 Å²	48	52.6 Å²	52.6	50%	0.495	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	2.8	-177.6	0	0	0	0	0	115.6	R101 D102	G99-R101 PolarHBondContact O-N 3.49Å; G99-D102 PolarHBondContact O-N 3.11Å
100	I	92.9	Very high	93.4	Very high	13 Å²	13	55.1 Å²	55.1	7%	0.067	32%	0.317	C	S	.	.	H	α-helix	trans	-53.7	-28.3	-177.1	-160.5	164.7	0	0	0	113.7	L87 L96 A97 C98 D102 V103 L104 T146	L87-I100 HydrophobicContact CD1-CD1 3.75Å; L87-I100 HydrophobicContact CD2-CD1 3.4Å; L87-I100 HydrophobicContact CG-CD1 4.22Å; L96-I100 HydrophobicContact CB-CD1 4.45Å; L96-I100 HydrophobicContact CB-CG2 3.96Å; L96-I100 HydrophobicContact CD1-CG2 4.23Å; L96-I100 HydrophobicContact CD2-CD1 4.25Å; A97-I100 HydrophobicContact CB-CB 4.46Å; A97-I100 WeakPolarHBondContact O-CB 3.45Å; A97-I100 PolarHBondContact O-N 3.3Å; C98-I100 PolarHBondContact O-N 3.17Å; I100-D102 PolarHBondContact O-N 2.79Å; I100-V103 PolarHBondContact O-N 3.4Å; I100-L104 HydrophobicContact CG1-CD1 3.96Å; I100-L104 HydrophobicContact CG1-CG 3.96Å; I100-L104 HydrophobicContact CG2-CD1 4.25Å; I100-L104 WeakPolarHBondContact O-CB 3.33Å; I100-L104 WeakPolarHBondContact O-CG 3.31Å; I100-L104 PolarHBondContact O-N 3.47Å; I100-T146 HydrophobicContact CD1-CG2 4.27Å; I100-T146 HydrophobicContact CG1-CG2 4.42Å
101	R	93.5	Very high	93.6	Very high	119 Å²	119	58.4 Å²	58.4	45%	0.449	32%	0.315	S	S	.	.	H	α-helix	trans	-54.3	-42.8	178.4	179	-169.9	66.1	-141.4	-7.6	111.6	G99 L104 L105 L124	G99-R101 PolarHBondContact O-N 3.49Å; R101-L104 PolarHBondContact O-N 2.93Å; R101-L105 HydrophobicContact CG-CD1 4.06Å; R101-L105 VanDerWaalsContact O-CG 3.25Å; R101-L105 WeakPolarHBondContact O-CG 3.45Å; R101-L105 PolarHBondContact O-N 3.4Å; R101-L124 HydrophobicContact CB-CD1 4.16Å; R101-L124 HydrophobicContact CG-CD1 4.22Å
102	D	94.1	Very high	93.6	Very high	68 Å²	68	60.4 Å²	60.4	36%	0.364	33%	0.325	S	S	.	.	H	α-helix	trans	-77.4	-38.6	-171.7	-55.9	-36.6	0	0	0	109.3	G99 I100 L104 L105 E106	G99-D102 PolarHBondContact O-N 3.11Å; I100-D102 PolarHBondContact O-N 2.79Å; D102-L104 PolarHBondContact O-N 3.49Å; D102-L105 PolarHBondContact O-N 2.94Å; D102-L105 VanDerWaalsContact O-N 3.14Å; D102-E106 WeakPolarHBondContact O-CG 3.2Å; D102-E106 PolarHBondContact O-N 3.26Å
103	V	93.9	Very high	93.7	Very high	72 Å²	72	56.9 Å²	56.9	44%	0.436	30%	0.303	S	S	.	.	H	α-helix	trans	-55.9	-47.5	168.1	-177.4	0	0	0	0	111.9	I100 L105 E106 D107	I100-V103 PolarHBondContact O-N 3.4Å; V103-L105 VanDerWaalsContact C-N 3.3Å; V103-L105 PolarHBondContact O-N 3.29Å; V103-E106 PolarHBondContact O-N 3.22Å; V103-D107 WeakPolarHBondContact O-CB 3.46Å; V103-D107 PolarHBondContact O-N 3.12Å
104	L	94.3	Very high	93.6	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-65.7	-33.3	179	-65.4	170.1	0	0	0	112.2	W84 L87 I100 R101 D102 V108 L120 L124 T146	W84-L104 HydrophobicContact CD2-CD2 3.25Å; W84-L104 HydrophobicContact CE3-CD2 3.73Å; W84-L104 HydrophobicContact CG-CD2 3.62Å; W84-L104 HydrophobicContact CH2-CB 4.23Å; W84-L104 HydrophobicContact CH2-CD2 4.01Å; W84-L104 HydrophobicContact CZ2-CB 4.09Å; W84-L104 HydrophobicContact CZ2-CD2 3.57Å; W84-L104 HydrophobicContact CZ2-CG 4.43Å; W84-L104 HydrophobicContact CZ3-CD2 4.09Å; L87-L104 HydrophobicContact CD1-CD2 4.23Å; I100-L104 HydrophobicContact CG1-CD1 3.96Å; I100-L104 HydrophobicContact CG1-CG 3.96Å; I100-L104 HydrophobicContact CG2-CD1 4.25Å; I100-L104 WeakPolarHBondContact O-CB 3.33Å; I100-L104 WeakPolarHBondContact O-CG 3.31Å; I100-L104 PolarHBondContact O-N 3.47Å; R101-L104 PolarHBondContact O-N 2.93Å; D102-L104 PolarHBondContact O-N 3.49Å; L104-V108 WeakPolarHBondContact O-CB 3.44Å; L104-V108 WeakPolarHBondContact O-CG2 3.27Å; L104-V108 PolarHBondContact O-N 2.95Å; L104-L120 HydrophobicContact CB-CD1 4.33Å; L104-L120 HydrophobicContact CB-CD2 3.87Å; L104-L120 HydrophobicContact CD1-CD1 4.17Å; L104-L124 HydrophobicContact CD1-CD1 4.16Å; L104-L124 HydrophobicContact CD1-CD2 4Å; L104-T146 HydrophobicContact CD2-CG2 3.53Å; L104-T146 HydrophobicContact CG-CG2 4.43Å
105	L	93.8	Very high	93.5	Very high	32 Å²	32	59.5 Å²	59.5	17%	0.168	33%	0.328	C	S	.	.	H	α-helix	trans	-71.2	-39.6	177.3	-76.4	168.8	0	0	0	111.7	R101 D102 V103 V108 A109 H117 L120	R101-L105 HydrophobicContact CG-CD1 4.06Å; R101-L105 VanDerWaalsContact O-CG 3.25Å; R101-L105 WeakPolarHBondContact O-CG 3.45Å; R101-L105 PolarHBondContact O-N 3.4Å; D102-L105 PolarHBondContact O-N 2.94Å; D102-L105 VanDerWaalsContact O-N 3.14Å; V103-L105 VanDerWaalsContact C-N 3.3Å; V103-L105 PolarHBondContact O-N 3.29Å; L105-V108 PolarHBondContact O-N 2.85Å; L105-A109 PolarHBondContact O-N 3.41Å; L105-A109 VanDerWaalsContact O-N 3.12Å; L105-H117 HydrophobicContact CD2-CB 3.83Å; L105-H117 WeakPolarHBondContact CD2-CD2 3.25Å; L105-H117 VanDerWaalsContact CD2-CG 3.45Å; L105-L120 HydrophobicContact CD2-CD2 3.72Å; L105-L120 HydrophobicContact CG-CD2 3.88Å
106	E	93.9	Very high	93.4	Very high	123 Å²	123	62.8 Å²	62.8	58%	0.575	35%	0.352	S	S	*	.	H	α-helix	trans	-63.3	-45.7	173	-71.7	174.3	-166	0	0	110.9	D102 V103 V108 A109 Q110	D102-E106 WeakPolarHBondContact O-CG 3.2Å; D102-E106 PolarHBondContact O-N 3.26Å; V103-E106 PolarHBondContact O-N 3.22Å; E106-V108 VanDerWaalsContact C-N 3.34Å; E106-V108 PolarHBondContact O-N 3.46Å; E106-A109 WeakPolarHBondContact O-CB 3.29Å; E106-A109 PolarHBondContact O-N 3.22Å; E106-A109 VanDerWaalsContact O-N 3.11Å; E106-Q110 WeakPolarHBondContact O-CG 3.13Å; E106-Q110 PolarHBondContact O-N 3.12Å
107	D	93.6	Very high	93.3	Very high	34 Å²	34	67.3 Å²	67.3	18%	0.182	37%	0.372	C	S	.	.	H	α-helix	trans	-63.6	-38.1	177.5	-169.5	51.1	0	0	0	112.2	W84 V103 A109 Q110 R111	W84-D107 HydrophobicContact CZ2-CB 4.35Å; W84-D107 PolarHBondContact NE1-OD2 3.23Å; V103-D107 WeakPolarHBondContact O-CB 3.46Å; V103-D107 PolarHBondContact O-N 3.12Å; D107-A109 VanDerWaalsContact C-N 3.31Å; D107-A109 PolarHBondContact O-N 3.44Å; D107-Q110 PolarHBondContact O-N 3.19Å; D107-R111 WeakPolarHBondContact O-CB 3.18Å; D107-R111 PolarHBondContact O-N 3.09Å; D107-R111 WeakPolarHBondContact OD1-CD 3.15Å; D107-R111 VanDerWaalsContact OD2-CD 3.24Å; D107-R111 WeakPolarHBondContact OD2-CD 3.28Å; D107-R111 IonicContact OD2-CZ 3.77Å; D107-R111 IonicContact OD2-NE 3.94Å; D107-R111 IonicContact OD2-NH1 2.82Å; D107-R111 PolarHBondContact OD2-NH1 3.02Å
108	V	94.1	Very high	93.2	Very high	9 Å²	9	73.7 Å²	73.7	6%	0.055	40%	0.398	C	S	.	.	H	α-helix	trans	-59.3	-42.4	172.5	164.4	0	0	0	0	111.5	W84 L104 L105 E106 N112 I113 L115	W84-V108 HydrophobicContact CH2-CG2 3.6Å; W84-V108 HydrophobicContact CZ2-CG2 3.91Å; L104-V108 WeakPolarHBondContact O-CB 3.44Å; L104-V108 WeakPolarHBondContact O-CG2 3.27Å; L104-V108 PolarHBondContact O-N 2.95Å; L105-V108 PolarHBondContact O-N 2.85Å; E106-V108 VanDerWaalsContact C-N 3.34Å; E106-V108 PolarHBondContact O-N 3.46Å; V108-N112 WeakPolarHBondContact O-CA 3.32Å; V108-N112 PolarHBondContact O-N 3.16Å; V108-N112 VanDerWaalsContact O-N 3.12Å; V108-I113 HydrophobicContact CB-CB 4.44Å; V108-I113 HydrophobicContact CG1-CB 4.27Å; V108-I113 HydrophobicContact CG2-CB 4.21Å; V108-I113 HydrophobicContact CG2-CD1 4.1Å; V108-I113 PolarHBondContact O-N 3.28Å; V108-I113 VanDerWaalsContact O-N 3.08Å; V108-L115 HydrophobicContact CG2-CD2 4.47Å
109	A	93	Very high	93.3	Very high	76 Å²	76	76 Å²	76	63%	0.628	40%	0.4	S	S	*	.	H	α-helix	trans	-70.1	-40	178.1	0	0	0	0	0	112	L105 E106 D107	L105-A109 PolarHBondContact O-N 3.41Å; L105-A109 VanDerWaalsContact O-N 3.12Å; E106-A109 WeakPolarHBondContact O-CB 3.29Å; E106-A109 PolarHBondContact O-N 3.22Å; E106-A109 VanDerWaalsContact O-N 3.11Å; D107-A109 VanDerWaalsContact C-N 3.31Å; D107-A109 PolarHBondContact O-N 3.44Å
110	Q	94.3	Very high	93.4	Very high	155 Å²	155	73.8 Å²	73.8	72%	0.724	38%	0.377	S	S	*	.	H	α-helix	trans	-68.9	-44.8	179.7	-72.2	176.6	2.5	0	0	112.7	E106 D107 N112	E106-Q110 WeakPolarHBondContact O-CG 3.13Å; E106-Q110 PolarHBondContact O-N 3.12Å; D107-Q110 PolarHBondContact O-N 3.19Å; Q110-N112 VanDerWaalsContact C-N 3.34Å
111	R	93.6	Very high	93.5	Very high	117 Å²	117	79.6 Å²	79.6	44%	0.442	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-1.2	-178.1	-67	166.3	66.8	-173.1	7.3	113.7	W83 D107 I113	W83-R111 PolarHBondContact O-NH1 3.16Å; W83-R111 PolarHBondContact O-NH2 3.2Å; D107-R111 WeakPolarHBondContact O-CB 3.18Å; D107-R111 PolarHBondContact O-N 3.09Å; D107-R111 WeakPolarHBondContact OD1-CD 3.15Å; D107-R111 VanDerWaalsContact OD2-CD 3.24Å; D107-R111 WeakPolarHBondContact OD2-CD 3.28Å; D107-R111 IonicContact OD2-CZ 3.77Å; D107-R111 IonicContact OD2-NE 3.94Å; D107-R111 IonicContact OD2-NH1 2.82Å; D107-R111 PolarHBondContact OD2-NH1 3.02Å; R111-I113 VanDerWaalsContact C-N 3.28Å; R111-I113 HydrophobicContact CB-CD1 4.14Å; R111-I113 HydrophobicContact CB-CG1 3.74Å; R111-I113 PolarHBondContact O-N 3.14Å
112	N	91.8	Very high	93.6	Very high	144 Å²	144	79 Å²	79	77%	0.77	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	46.7	-174.8	-165.5	31.6	0	0	0	112.7	V108 Q110	V108-N112 WeakPolarHBondContact O-CA 3.32Å; V108-N112 PolarHBondContact O-N 3.16Å; V108-N112 VanDerWaalsContact O-N 3.12Å; Q110-N112 VanDerWaalsContact C-N 3.34Å
113	I	92.2	Very high	93.6	Very high	10 Å²	10	75.8 Å²	75.8	5%	0.051	38%	0.379	C	S	.	.			trans	-68.1	134.6	-176.9	-61.9	178.6	0	0	0	108.9	W83 W84 V108 R111 L115	W83-I113 HydrophobicContact CB-CD1 4.11Å; W83-I113 HydrophobicContact CD2-CB 4.46Å; W83-I113 HydrophobicContact CD2-CD1 3.82Å; W83-I113 HydrophobicContact CD2-CG1 4.1Å; W83-I113 HydrophobicContact CD2-CG2 3.54Å; W83-I113 HydrophobicContact CE3-CB 4.38Å; W83-I113 HydrophobicContact CE3-CD1 3.6Å; W83-I113 HydrophobicContact CE3-CG1 3.66Å; W83-I113 HydrophobicContact CE3-CG2 3.9Å; W83-I113 HydrophobicContact CG-CD1 4.02Å; W83-I113 HydrophobicContact CG-CG2 4.07Å; W83-I113 HydrophobicContact CH2-CG1 4.49Å; W83-I113 HydrophobicContact CH2-CG2 3.97Å; W83-I113 HydrophobicContact CZ2-CG2 3.63Å; W83-I113 HydrophobicContact CZ3-CB 4.44Å; W83-I113 HydrophobicContact CZ3-CD1 4.33Å; W83-I113 HydrophobicContact CZ3-CG1 3.88Å; W83-I113 HydrophobicContact CZ3-CG2 4.1Å; W84-I113 HydrophobicContact CH2-CD1 4.28Å; W84-I113 HydrophobicContact CZ2-CD1 3.98Å; V108-I113 HydrophobicContact CB-CB 4.44Å; V108-I113 HydrophobicContact CG1-CB 4.27Å; V108-I113 HydrophobicContact CG2-CB 4.21Å; V108-I113 HydrophobicContact CG2-CD1 4.1Å; V108-I113 PolarHBondContact O-N 3.28Å; V108-I113 VanDerWaalsContact O-N 3.08Å; R111-I113 VanDerWaalsContact C-N 3.28Å; R111-I113 HydrophobicContact CB-CD1 4.14Å; R111-I113 HydrophobicContact CB-CG1 3.74Å; R111-I113 PolarHBondContact O-N 3.14Å; I113-L115 HydrophobicContact CG2-CB 3.63Å; I113-L115 PolarHBondContact O-N 2.93Å
114	P	92.9	Very high	93.7	Very high	118 Å²	118	73.1 Å²	73.1	77%	0.766	36%	0.362	S	S	*	.	S	Bend	trans	-73.8	50.7	176.4	32.6	-37.4	0	0	0	112.3	W83	W83-P114 HydrophobicContact CH2-CG 4.4Å; W83-P114 HydrophobicContact CZ2-CG 4.14Å
115	L	92	Very high	93.7	Very high	12 Å²	12	77.7 Å²	77.7	6%	0.063	38%	0.382	C	S	.	.			trans	-126	109.4	-177.7	-174.4	67.3	0	0	0	110.3	T79 L80 W84 V108 I113 K119 L120	T79-L115 HydrophobicContact CG2-CD1 3.47Å; T79-L115 VanDerWaalsContact CG2-CD1 3.47Å; T79-L115 HydrophobicContact CG2-CD2 4.48Å; L80-L115 HydrophobicContact CD2-CD2 4.21Å; W84-L115 HydrophobicContact CH2-CD2 4.19Å; W84-L115 HydrophobicContact CZ3-CD2 4.11Å; V108-L115 HydrophobicContact CG2-CD2 4.47Å; I113-L115 HydrophobicContact CG2-CB 3.63Å; I113-L115 PolarHBondContact O-N 2.93Å; L115-K119 HydrophobicContact CD1-CB 3.8Å; L115-K119 HydrophobicContact CD1-CD 3.7Å; L115-K119 HydrophobicContact CD1-CG 3.67Å; L115-L120 HydrophobicContact CD2-CB 3.96Å; L115-L120 HydrophobicContact CD2-CD1 4.04Å; L115-L120 HydrophobicContact CG-CB 4.3Å
116	S	92.9	Very high	93.8	Very high	78 Å²	78	76.6 Å²	76.6	55%	0.545	38%	0.378	S	S	.	.			trans	-61.2	142.3	173.9	174.8	0	0	0	0	111.5	K118 K119 L120	S116-K118 PolarHBondContact O-N 3.36Å; S116-K118 PolarHBondContact OG-N 3.14Å; S116-K119 WeakPolarHBondContact O-CA 3.38Å; S116-K119 WeakPolarHBondContact O-CB 3.16Å; S116-K119 PolarHBondContact O-N 3.44Å; S116-L120 PolarHBondContact O-N 3.17Å
117	H	93	Very high	93.8	Very high	106 Å²	106	70.9 Å²	70.9	49%	0.491	35%	0.351	S	S	.	.	H	α-helix	trans	-50.5	-35.2	173.9	-62.4	-174	0	0	0	112.4	L105 R121	L105-H117 HydrophobicContact CD2-CB 3.83Å; L105-H117 WeakPolarHBondContact CD2-CD2 3.25Å; L105-H117 VanDerWaalsContact CD2-CG 3.45Å; H117-R121 WeakPolarHBondContact O-CB 3.47Å; H117-R121 PolarHBondContact O-N 3.07Å
118	K	94	Very high	93.8	Very high	146 Å²	146	71.7 Å²	71.7	64%	0.635	36%	0.358	S	S	*	.	H	α-helix	trans	-67.7	-39.6	177.1	-174	177.8	-179.5	179.6	0	111.9	S116 R122	S116-K118 PolarHBondContact O-N 3.36Å; S116-K118 PolarHBondContact OG-N 3.14Å; K118-R122 WeakPolarHBondContact O-CB 3.35Å; K118-R122 VanDerWaalsContact O-CG 3.3Å; K118-R122 WeakPolarHBondContact O-CG 3.47Å; K118-R122 PolarHBondContact O-N 3.3Å
119	K	94	Very high	93.8	Very high	116 Å²	116	76.4 Å²	76.4	50%	0.504	37%	0.374	S	S	.	.	H	α-helix	trans	-69.1	-44.8	179.8	-169.7	170.4	173	-173.8	0	110.3	T79 L115 S116 R121 R122 A123	T79-K119 HydrophobicContact CG2-CD 4.37Å; T79-K119 HydrophobicContact CG2-CG 4.21Å; L115-K119 HydrophobicContact CD1-CB 3.8Å; L115-K119 HydrophobicContact CD1-CD 3.7Å; L115-K119 HydrophobicContact CD1-CG 3.67Å; S116-K119 WeakPolarHBondContact O-CA 3.38Å; S116-K119 WeakPolarHBondContact O-CB 3.16Å; S116-K119 PolarHBondContact O-N 3.44Å; K119-R121 PolarHBondContact O-N 3.02Å; K119-R122 PolarHBondContact O-N 3.2Å; K119-A123 PolarHBondContact O-N 3.21Å
120	L	94.6	Very high	93.8	Very high	1 Å²	1	73.4 Å²	73.4	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-55.2	-53.2	172.3	178.3	61.7	0	0	0	111.6	L80 W84 L104 L105 L115 S116 R122 A123 L124	L80-L120 HydrophobicContact CD2-CD1 3.47Å; L80-L120 VanDerWaalsContact CD2-CD1 3.47Å; W84-L120 HydrophobicContact CH2-CD1 4.23Å; W84-L120 HydrophobicContact CZ3-CD1 4.04Å; L104-L120 HydrophobicContact CB-CD1 4.33Å; L104-L120 HydrophobicContact CB-CD2 3.87Å; L104-L120 HydrophobicContact CD1-CD1 4.17Å; L105-L120 HydrophobicContact CD2-CD2 3.72Å; L105-L120 HydrophobicContact CG-CD2 3.88Å; L115-L120 HydrophobicContact CD2-CB 3.96Å; L115-L120 HydrophobicContact CD2-CD1 4.04Å; L115-L120 HydrophobicContact CG-CB 4.3Å; S116-L120 PolarHBondContact O-N 3.17Å; L120-R122 VanDerWaalsContact C-N 3.29Å; L120-R122 PolarHBondContact O-N 3.3Å; L120-A123 PolarHBondContact O-N 3.44Å; L120-L124 HydrophobicContact CD1-CD1 4.17Å; L120-L124 HydrophobicContact CD1-CG 4.27Å; L120-L124 HydrophobicContact CG-CD1 4.13Å; L120-L124 WeakPolarHBondContact O-CG 3.3Å; L120-L124 PolarHBondContact O-N 3.36Å
121	R	94.3	Very high	93.8	Very high	135 Å²	135	69.1 Å²	69.1	51%	0.509	33%	0.329	S	S	.	.	H	α-helix	trans	-59.4	-37.4	179.7	-170.3	-174.5	-61.7	165.4	0.2	112.8	H117 K119 K125	H117-R121 WeakPolarHBondContact O-CB 3.47Å; H117-R121 PolarHBondContact O-N 3.07Å; K119-R121 PolarHBondContact O-N 3.02Å; R121-K125 WeakPolarHBondContact O-CB 3.42Å; R121-K125 VanDerWaalsContact O-CG 3.31Å; R121-K125 WeakPolarHBondContact O-CG 3.47Å; R121-K125 PolarHBondContact O-N 3.11Å; R121-K125 VanDerWaalsContact O-N 3.13Å
122	R	95.3	Very high	93.8	Very high	107 Å²	107	65.9 Å²	65.9	40%	0.404	32%	0.324	S	S	.	.	H	α-helix	trans	-70.4	-41.6	177.5	-76.5	175.1	63.2	127.1	-3.4	111.9	N69 P71 K118 K119 L120 K125 A126	N69-R122 PolarHBondContact O-NH1 2.82Å; N69-R122 PolarHBondContact O-NH2 3.31Å; P71-R122 HydrophobicContact CG-CB 4.36Å; K118-R122 WeakPolarHBondContact O-CB 3.35Å; K118-R122 VanDerWaalsContact O-CG 3.3Å; K118-R122 WeakPolarHBondContact O-CG 3.47Å; K118-R122 PolarHBondContact O-N 3.3Å; K119-R122 PolarHBondContact O-N 3.2Å; L120-R122 VanDerWaalsContact C-N 3.29Å; L120-R122 PolarHBondContact O-N 3.3Å; R122-K125 PolarHBondContact O-N 3.48Å; R122-A126 PolarHBondContact O-N 2.89Å
123	A	95.1	Very high	94	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-47.7	176.1	0	0	0	0	0	111.4	A76 L80 K119 L120 K125 A126 I127	A76-A123 HydrophobicContact CB-CB 3.95Å; L80-A123 HydrophobicContact CD1-CB 4.03Å; L80-A123 HydrophobicContact CD2-CB 4.18Å; L80-A123 HydrophobicContact CG-CB 4.01Å; K119-A123 PolarHBondContact O-N 3.21Å; L120-A123 PolarHBondContact O-N 3.44Å; A123-K125 VanDerWaalsContact C-N 3.31Å; A123-K125 PolarHBondContact O-N 3.38Å; A123-A126 WeakPolarHBondContact O-CB 3.29Å; A123-A126 PolarHBondContact O-N 2.82Å; A123-I127 PolarHBondContact O-N 2.85Å
124	L	95	Very high	94.1	Very high	16 Å²	16	59.4 Å²	59.4	8%	0.084	29%	0.289	C	S	.	.	H	α-helix	trans	-58.6	-41.5	175.6	-68.8	174	0	0	0	112.2	L80 L96 R101 L104 L120 A126 I127 T128	L80-L124 HydrophobicContact CD1-CD2 3.97Å; L80-L124 HydrophobicContact CD1-CG 4.47Å; L96-L124 HydrophobicContact CD1-CD2 3.8Å; R101-L124 HydrophobicContact CB-CD1 4.16Å; R101-L124 HydrophobicContact CG-CD1 4.22Å; L104-L124 HydrophobicContact CD1-CD1 4.16Å; L104-L124 HydrophobicContact CD1-CD2 4Å; L120-L124 HydrophobicContact CD1-CD1 4.17Å; L120-L124 HydrophobicContact CD1-CG 4.27Å; L120-L124 HydrophobicContact CG-CD1 4.13Å; L120-L124 WeakPolarHBondContact O-CG 3.3Å; L120-L124 PolarHBondContact O-N 3.36Å; L124-A126 VanDerWaalsContact C-N 3.32Å; L124-A126 PolarHBondContact O-N 2.7Å; L124-I127 PolarHBondContact O-N 3.27Å; L124-T128 WeakPolarHBondContact O-CB 3.4Å; L124-T128 VanDerWaalsContact O-CG2 3.31Å; L124-T128 WeakPolarHBondContact O-CG2 3.31Å; L124-T128 PolarHBondContact O-N 3.36Å; L124-T128 PolarHBondContact O-OG1 2.86Å
125	K	94.8	Very high	94.2	Very high	95 Å²	95	56.3 Å²	56.3	41%	0.413	27%	0.27	S	S	.	.	H	α-helix	trans	-65.6	-32.8	174.9	-78	-178.9	178.4	-175	0	113	L70 R121 R122 A123 T128 R129	L70-K125 HydrophobicContact CD2-CB 3.74Å; R121-K125 WeakPolarHBondContact O-CB 3.42Å; R121-K125 VanDerWaalsContact O-CG 3.31Å; R121-K125 WeakPolarHBondContact O-CG 3.47Å; R121-K125 PolarHBondContact O-N 3.11Å; R121-K125 VanDerWaalsContact O-N 3.13Å; R122-K125 PolarHBondContact O-N 3.48Å; A123-K125 VanDerWaalsContact C-N 3.31Å; A123-K125 PolarHBondContact O-N 3.38Å; K125-T128 WeakPolarHBondContact CA-OG1 3.14Å; K125-T128 PolarHBondContact O-OG1 3.36Å; K125-R129 VanDerWaalsContact O-CB 3.28Å; K125-R129 WeakPolarHBondContact O-CB 3.12Å; K125-R129 WeakPolarHBondContact O-CD 3.25Å; K125-R129 WeakPolarHBondContact O-CG 3.46Å; K125-R129 PolarHBondContact O-N 2.99Å
126	A	95	Very high	94.4	Very high	10 Å²	10	57.8 Å²	57.8	8%	0.083	28%	0.284	C	S	.	.	H	α-helix	trans	-71.8	-42.5	178.2	0	0	0	0	0	110.9	L70 P71 A76 R122 A123 L124 S130	L70-A126 HydrophobicContact CD2-CB 4.28Å; P71-A126 HydrophobicContact CG-CB 3.92Å; P71-A126 WeakPolarHBondContact O-CB 3.3Å; A76-A126 HydrophobicContact CB-CB 3.82Å; R122-A126 PolarHBondContact O-N 2.89Å; A123-A126 WeakPolarHBondContact O-CB 3.29Å; A123-A126 PolarHBondContact O-N 2.82Å; L124-A126 VanDerWaalsContact C-N 3.32Å; L124-A126 PolarHBondContact O-N 2.7Å; A126-S130 PolarHBondContact O-N 3.43Å
127	I	94.9	Very high	94.4	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-63.6	-55	175.9	-71.2	165.9	0	0	0	111.1	L73 A76 L80 F88 P93 A123 L124 R129 S130 Y133	L73-I127 HydrophobicContact CD1-CG1 4.04Å; A76-I127 HydrophobicContact CB-CD1 4.32Å; A76-I127 HydrophobicContact CB-CG1 4.03Å; L80-I127 HydrophobicContact CD1-CD1 3.59Å; F88-I127 HydrophobicContact CE1-CD1 3.97Å; F88-I127 HydrophobicContact CZ-CD1 4.03Å; P93-I127 HydrophobicContact CB-CG2 3.45Å; P93-I127 VanDerWaalsContact CB-CG2 3.45Å; P93-I127 HydrophobicContact CG-CG1 4.14Å; P93-I127 HydrophobicContact CG-CG2 3.75Å; A123-I127 PolarHBondContact O-N 2.85Å; L124-I127 PolarHBondContact O-N 3.27Å; I127-R129 PolarHBondContact O-N 3.14Å; I127-S130 WeakPolarHBondContact O-CB 3.5Å; I127-S130 PolarHBondContact O-N 3.06Å; I127-S130 PolarHBondContact O-OG 3.47Å; I127-Y133 HydrophobicContact CG2-CD2 3.67Å; I127-Y133 HydrophobicContact CG2-CE2 4.05Å; I127-Y133 HydrophobicContact CG2-CG 4.44Å; I127-Y133 WeakPolarHBondContact O-CB 3.42Å
128	T	94.1	Very high	94.5	Very high	52 Å²	52	56.1 Å²	56.1	32%	0.319	27%	0.266	S	S	.	.	H	α-helix	trans	-64.9	-14.6	-176.7	53	0	0	0	0	114.4	L96 L124 K125 Y133	L96-T128 HydrophobicContact CD1-CG2 4.22Å; L124-T128 WeakPolarHBondContact O-CB 3.4Å; L124-T128 VanDerWaalsContact O-CG2 3.31Å; L124-T128 WeakPolarHBondContact O-CG2 3.31Å; L124-T128 PolarHBondContact O-N 3.36Å; L124-T128 PolarHBondContact O-OG1 2.86Å; K125-T128 WeakPolarHBondContact CA-OG1 3.14Å; K125-T128 PolarHBondContact O-OG1 3.36Å; T128-Y133 HydrophobicContact CG2-CE1 4.17Å
129	R	92.8	Very high	94.5	Very high	108 Å²	108	51.3 Å²	51.3	41%	0.408	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	2.1	176.5	-65.2	177.3	-179	-168.7	-1.9	112.9	K125 I127 I169	K125-R129 VanDerWaalsContact O-CB 3.28Å; K125-R129 WeakPolarHBondContact O-CB 3.12Å; K125-R129 WeakPolarHBondContact O-CD 3.25Å; K125-R129 WeakPolarHBondContact O-CG 3.46Å; K125-R129 PolarHBondContact O-N 2.99Å; I127-R129 PolarHBondContact O-N 3.14Å; R129-I169 HydrophobicContact CB-CD1 4.33Å
130	S	94.2	Very high	94.6	Very high	13 Å²	13	48.1 Å²	48.1	9%	0.091	25%	0.253	C	S	.	.	S	Bend	trans	-71.1	154.3	176.5	80.1	0	0	0	0	110.4	A126 I127 S132 Y133 L134	A126-S130 PolarHBondContact O-N 3.43Å; I127-S130 WeakPolarHBondContact O-CB 3.5Å; I127-S130 PolarHBondContact O-N 3.06Å; I127-S130 PolarHBondContact O-OG 3.47Å; S130-S132 VanDerWaalsContact C-N 3.33Å; S130-S132 PolarHBondContact OG-OG 3.05Å; S130-S132 VanDerWaalsContact OG-OG 3.09Å; S130-Y133 VanDerWaalsContact OG-CB 3.25Å; S130-Y133 WeakPolarHBondContact OG-CB 3.36Å; S130-Y133 PolarHBondContact OG-N 2.97Å; S130-Y133 VanDerWaalsContact OG-N 3.12Å; S130-L134 WeakPolarHBondContact O-CG 3.19Å; S130-L134 PolarHBondContact O-N 2.92Å
131	E	94	Very high	94.6	Very high	64 Å²	64	49.2 Å²	49.2	30%	0.299	26%	0.262	S	S	.	.	H	α-helix	trans	-64.8	-39.8	176.5	-66.1	-166.5	-160.7	0	0	111.6	Y133 L134 C135 L166 I169 R170 N173	E131-Y133 PolarHBondContact O-N 3.44Å; E131-L134 PolarHBondContact O-N 3.38Å; E131-C135 WeakPolarHBondContact O-CB 3.41Å; E131-C135 PolarHBondContact O-N 3.16Å; E131-C135 PolarHBondContact O-SG 3.42Å; E131-L166 HydrophobicContact CB-CD1 4.1Å; E131-L166 HydrophobicContact CG-CD1 4.19Å; E131-I169 HydrophobicContact CG-CG2 3.8Å; E131-R170 HydrophobicContact CG-CG 4.41Å; E131-R170 WeakPolarHBondContact OE2-CG 3.47Å; E131-R170 IonicContact OE2-NE 2.91Å; E131-N173 PolarHBondContact OE1-ND2 3.48Å
132	S	93.9	Very high	94.6	Very high	50 Å²	50	44.5 Å²	44.5	35%	0.35	25%	0.249	S	C	.	.	H	α-helix	trans	-61.2	-43.7	179.3	54.3	0	0	0	0	112	S130 C135 A136	S130-S132 VanDerWaalsContact C-N 3.33Å; S130-S132 PolarHBondContact OG-OG 3.05Å; S130-S132 VanDerWaalsContact OG-OG 3.09Å; S132-C135 PolarHBondContact O-N 2.88Å; S132-A136 PolarHBondContact O-N 2.91Å; S132-A136 VanDerWaalsContact O-N 3.12Å
133	Y	95.1	Very high	94.6	Very high	8 Å²	8	40.5 Å²	40.5	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-65	-45.8	179.6	-168.8	-83.6	0	0	0	111.7	P93 R94 L95 L96 I127 T128 S130 E131 C135 A136 M137	P93-Y133 HydrophobicContact CB-CD2 4.41Å; R94-Y133 WeakPolarHBondContact O-CE2 3.35Å; L95-Y133 HydrophobicContact CD2-CD1 4.26Å; L95-Y133 HydrophobicContact CD2-CD2 4.36Å; L95-Y133 HydrophobicContact CD2-CE1 3.9Å; L95-Y133 HydrophobicContact CD2-CE2 4.05Å; L95-Y133 HydrophobicContact CD2-CG 4.47Å; L96-Y133 HydrophobicContact CG-CE2 4.07Å; L96-Y133 PolarHBondContact N-OH 3.41Å; I127-Y133 HydrophobicContact CG2-CD2 3.67Å; I127-Y133 HydrophobicContact CG2-CE2 4.05Å; I127-Y133 HydrophobicContact CG2-CG 4.44Å; I127-Y133 WeakPolarHBondContact O-CB 3.42Å; T128-Y133 HydrophobicContact CG2-CE1 4.17Å; S130-Y133 VanDerWaalsContact OG-CB 3.25Å; S130-Y133 WeakPolarHBondContact OG-CB 3.36Å; S130-Y133 PolarHBondContact OG-N 2.97Å; S130-Y133 VanDerWaalsContact OG-N 3.12Å; E131-Y133 PolarHBondContact O-N 3.44Å; Y133-C135 VanDerWaalsContact C-N 3.34Å; Y133-C135 PolarHBondContact O-N 3.45Å; Y133-A136 PolarHBondContact O-N 3.48Å; Y133-M137 HydrophobicContact CD1-CG 4.47Å; Y133-M137 HydrophobicContact CD1-SD 4.22Å; Y133-M137 HydrophobicContact CE1-CG 4.3Å; Y133-M137 HydrophobicContact CE1-SD 3.96Å; Y133-M137 PolarHBondContact O-N 3.34Å
134	L	95.3	Very high	94.7	Very high	10 Å²	10	43 Å²	43	5%	0.052	24%	0.244	C	C	.	.	H	α-helix	trans	-67.5	-33.4	178.8	-67.6	173	0	0	0	112.5	S130 E131 A136 M137 A162 R165 L166 I169	S130-L134 WeakPolarHBondContact O-CG 3.19Å; S130-L134 PolarHBondContact O-N 2.92Å; E131-L134 PolarHBondContact O-N 3.38Å; L134-A136 VanDerWaalsContact C-N 3.29Å; L134-A136 PolarHBondContact O-N 3.38Å; L134-M137 HydrophobicContact CD2-SD 4.18Å; L134-M137 PolarHBondContact O-N 2.93Å; L134-A162 HydrophobicContact CD2-CB 4.29Å; L134-R165 HydrophobicContact CD1-CB 4.03Å; L134-R165 HydrophobicContact CD2-CB 4.14Å; L134-L166 HydrophobicContact CB-CB 4.22Å; L134-L166 HydrophobicContact CB-CD1 4.14Å; L134-L166 HydrophobicContact CD1-CB 4.38Å; L134-I169 HydrophobicContact CD1-CB 4.46Å; L134-I169 HydrophobicContact CD1-CG1 3.89Å
135	C	94.7	Very high	94.6	Very high	53 Å²	53	43.9 Å²	43.9	36%	0.358	25%	0.249	S	C	.	.	H	α-helix	trans	-68.2	-27.5	173.4	-74.7	0	0	0	0	113.1	E131 S132 Y133	E131-C135 WeakPolarHBondContact O-CB 3.41Å; E131-C135 PolarHBondContact O-N 3.16Å; E131-C135 PolarHBondContact O-SG 3.42Å; S132-C135 PolarHBondContact O-N 2.88Å; Y133-C135 VanDerWaalsContact C-N 3.34Å; Y133-C135 PolarHBondContact O-N 3.45Å
136	A	94.9	Very high	94.5	Very high	43 Å²	43	41.1 Å²	41.1	36%	0.355	24%	0.24	S	C	.	.	H	α-helix	trans	-77.5	-21.6	177.9	0	0	0	0	0	112.9	L95 S132 Y133 L134 K138	L95-A136 HydrophobicContact CD2-CB 3.97Å; L95-A136 HydrophobicContact CG-CB 4.31Å; S132-A136 PolarHBondContact O-N 2.91Å; S132-A136 VanDerWaalsContact O-N 3.12Å; Y133-A136 PolarHBondContact O-N 3.48Å; L134-A136 VanDerWaalsContact C-N 3.29Å; L134-A136 PolarHBondContact O-N 3.38Å; A136-K138 VanDerWaalsContact C-N 3.28Å; A136-K138 PolarHBondContact O-N 2.93Å
137	M	94.5	Very high	94.2	Very high	16 Å²	16	47.6 Å²	47.6	8%	0.079	27%	0.268	C	S	.	.			trans	-73.7	75	177.3	-69.2	-177	70.5	0	0	111.9	L95 Y133 L134 I154 E158 A162	L95-M137 HydrophobicContact CD2-CG 3.6Å; Y133-M137 HydrophobicContact CD1-CG 4.47Å; Y133-M137 HydrophobicContact CD1-SD 4.22Å; Y133-M137 HydrophobicContact CE1-CG 4.3Å; Y133-M137 HydrophobicContact CE1-SD 3.96Å; Y133-M137 PolarHBondContact O-N 3.34Å; L134-M137 HydrophobicContact CD2-SD 4.18Å; L134-M137 PolarHBondContact O-N 2.93Å; M137-I154 HydrophobicContact CE-CD1 4.22Å; M137-I154 HydrophobicContact CG-CD1 4.48Å; M137-E158 HydrophobicContact CE-CB 4.12Å; M137-A162 HydrophobicContact CB-CB 3.57Å; M137-A162 HydrophobicContact CE-CB 4.22Å; M137-A162 HydrophobicContact CG-CB 4.32Å; M137-A162 HydrophobicContact SD-CB 3.92Å
138	K	94.3	Very high	94	Very high	133 Å²	133	49 Å²	49	58%	0.578	28%	0.283	S	S	*	.			trans	-106.3	149.1	172.4	-61.3	-179.7	-178.5	178.1	0	109.9	A136 G140 A141 I154	A136-K138 VanDerWaalsContact C-N 3.28Å; A136-K138 PolarHBondContact O-N 2.93Å; K138-G140 PolarHBondContact O-N 3.33Å; K138-A141 WeakPolarHBondContact O-CB 3.39Å; K138-A141 PolarHBondContact O-N 2.91Å; K138-I154 WeakPolarHBondContact O-CB 3.45Å; K138-I154 WeakPolarHBondContact O-CG2 3.35Å
139	A	94.7	Very high	93.9	Very high	44 Å²	44	53.9 Å²	53.9	36%	0.364	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	130.2	176.9	0	0	0	0	0	111	I154 Q156 E159	A139-I154 WeakPolarHBondContact CA-O 3.39Å; A139-Q156 HydrophobicContact CB-CG 3.92Å; A139-E159 WeakPolarHBondContact CB-OE2 3.27Å; A139-E159 PolarHBondContact N-OE2 2.93Å
140	G	94.4	Very high	94	Very high	50 Å²	50	52.2 Å²	52.2	52%	0.515	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	-2.2	-175.8	0	0	0	0	0	115.5	K138 I154	K138-G140 PolarHBondContact O-N 3.33Å; G140-I154 PolarHBondContact N-O 3.25Å
141	A	95.3	Very high	93.9	Very high	24 Å²	24	54.5 Å²	54.5	20%	0.198	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-69.2	143.8	172.7	0	0	0	0	0	111.6	L95 K138 H153 I154	L95-A141 HydrophobicContact CD1-CB 3.65Å; K138-A141 WeakPolarHBondContact O-CB 3.39Å; K138-A141 PolarHBondContact O-N 2.91Å; A141-H153 CarbonylContact O-C 3.55Å; A141-H153 VanDerWaalsContact O-CA 3.31Å; A141-H153 WeakPolarHBondContact O-CA 3.29Å; A141-I154 HydrophobicContact CB-CB 4.4Å; A141-I154 HydrophobicContact CB-CG1 4.08Å; A141-I154 PolarHBondContact O-N 3.48Å
142	C	95.1	Very high	93.9	Very high	35 Å²	35	55.3 Å²	55.3	24%	0.236	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	137.7	-176.6	-55.4	0	0	0	0	112.6	L95 Y144 V150	L95-C142 WeakPolarHBondContact CB-O 3.33Å; C142-Y144 HydrophobicContact CB-CE2 3.93Å; C142-Y144 WeakPolarHBondContact O-CD2 3.4Å; C142-Y144 VanDerWaalsContact O-CE2 3.28Å; C142-Y144 WeakPolarHBondContact O-CE2 3.46Å; C142-V150 HydrophobicContact CB-CB 4.4Å; C142-V150 HydrophobicContact CB-CG1 3.7Å; C142-V150 HydrophobicContact CB-CG2 3.83Å
143	R	95.5	Very high	93.9	Very high	23 Å²	23	58.5 Å²	58.5	9%	0.087	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	140.1	165.2	-67.1	-179	176.5	-90.7	4.8	110.4	L95 L96 V150 T151 E152 I154 E158	L95-R143 HydrophobicContact CB-CG 4.28Å; L95-R143 CarbonylContact O-C 3.54Å; L95-R143 WeakPolarHBondContact O-CA 3.49Å; L96-R143 WeakPolarHBondContact O-CD 3.47Å; L96-R143 PolarHBondContact O-NH1 3.46Å; R143-V150 CarbonylContact O-C 3.59Å; R143-V150 VanDerWaalsContact O-CA 3.31Å; R143-V150 WeakPolarHBondContact O-CA 3.41Å; R143-T151 PolarHBondContact O-N 3.45Å; R143-T151 PolarHBondContact O-OG1 2.91Å; R143-E152 HydrophobicContact CB-CB 4.3Å; R143-E152 HydrophobicContact CG-CB 4.44Å; R143-E152 PolarHBondContact N-O 3.29Å; R143-I154 HydrophobicContact CG-CD1 4.03Å; R143-I154 VanDerWaalsContact NE-CD1 3.33Å; R143-E158 IonicContact CZ-OE1 3.81Å; R143-E158 IonicContact NE-OE1 3.62Å; R143-E158 IonicContact NH2-OE1 2.65Å; R143-E158 PolarHBondContact NH2-OE1 3.03Å
144	Y	95.3	Very high	93.9	Very high	55 Å²	55	58.3 Å²	58.3	22%	0.216	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	140.6	-175.7	-61.9	-95.3	0	0	0	111	R94 L95 A97 C142 G148 Y149 V150	R94-Y144 HydrophobicContact CB-CD2 3.75Å; R94-Y144 HydrophobicContact CB-CE2 4.38Å; R94-Y144 HydrophobicContact CB-CG 4.23Å; R94-Y144 HydrophobicContact CG-CD2 4.32Å; L95-Y144 PolarHBondContact O-N 3.33Å; A97-Y144 PolarHBondContact N-O 3.29Å; C142-Y144 HydrophobicContact CB-CE2 3.93Å; C142-Y144 WeakPolarHBondContact O-CD2 3.4Å; C142-Y144 VanDerWaalsContact O-CE2 3.28Å; C142-Y144 WeakPolarHBondContact O-CE2 3.46Å; Y144-G148 WeakPolarHBondContact CD1-O 3.45Å; Y144-Y149 VanDerWaalsContact CA-O 3.3Å; Y144-Y149 WeakPolarHBondContact CA-O 3.42Å; Y144-V150 HydrophobicContact CD1-CG2 4.42Å; Y144-V150 HydrophobicContact CE1-CG2 3.99Å
145	D	93.8	Very high	93.9	Very high	34 Å²	34	60.2 Å²	60.2	18%	0.182	34%	0.339	C	S	.	.			trans	-86.8	-174.9	168.3	66.4	15	0	0	0	112.1	L87 A97 E147 G148 Y149 T151	L87-D145 WeakPolarHBondContact CD2-O 3.39Å; A97-D145 HydrophobicContact CB-CB 4.37Å; D145-E147 PolarHBondContact O-N 3.39Å; D145-E147 WeakPolarHBondContact OD1-CA 3.33Å; D145-E147 PolarHBondContact OD1-N 3.48Å; D145-G148 PolarHBondContact O-N 3.39Å; D145-G148 PolarHBondContact OD1-N 2.88Å; D145-Y149 PolarHBondContact N-O 3.43Å; D145-Y149 VanDerWaalsContact N-O 3.1Å; D145-Y149 PolarHBondContact OD1-N 3.06Å; D145-T151 HydrophobicContact CB-CG2 3.95Å
146	T	92.4	Very high	94	Very high	37 Å²	37	65.2 Å²	65.2	23%	0.227	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-23.2	179.5	44.9	0	0	0	0	114	W84 L87 I100 L104	W84-T146 HydrophobicContact CG-CG2 4.15Å; L87-T146 HydrophobicContact CD1-CG2 4.34Å; I100-T146 HydrophobicContact CD1-CG2 4.27Å; I100-T146 HydrophobicContact CG1-CG2 4.42Å; L104-T146 HydrophobicContact CD2-CG2 3.53Å; L104-T146 HydrophobicContact CG-CG2 4.43Å
147	E	89.7	Confident	94.1	Very high	146 Å²	146	71 Å²	71	68%	0.682	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-14.5	-179.8	-60.8	-177.9	167.7	0	0	111.7	D145 Y149	D145-E147 PolarHBondContact O-N 3.39Å; D145-E147 WeakPolarHBondContact OD1-CA 3.33Å; D145-E147 PolarHBondContact OD1-N 3.48Å; E147-Y149 HydrophobicContact CB-CD2 3.62Å; E147-Y149 HydrophobicContact CB-CE2 3.76Å; E147-Y149 WeakPolarHBondContact OE2-CD2 3.21Å; E147-Y149 VanDerWaalsContact OE2-CE2 3.24Å; E147-Y149 WeakPolarHBondContact OE2-CE2 3.37Å
148	G	89.4	Confident	94.1	Very high	31 Å²	31	72.7 Å²	72.7	32%	0.32	38%	0.384	S	S	.	.	S	Bend	trans	92.5	12.6	-179.3	0	0	0	0	0	113.5	Y144 D145	Y144-G148 WeakPolarHBondContact CD1-O 3.45Å; D145-G148 PolarHBondContact O-N 3.39Å; D145-G148 PolarHBondContact OD1-N 2.88Å
149	Y	92.6	Very high	94.1	Very high	154 Å²	154	70.1 Å²	70.1	60%	0.604	37%	0.374	S	S	*	.			trans	-81	147.6	173.9	-63.5	-65.9	0	0	0	111.7	Y144 D145 E147 T151	Y144-Y149 VanDerWaalsContact CA-O 3.3Å; Y144-Y149 WeakPolarHBondContact CA-O 3.42Å; D145-Y149 PolarHBondContact N-O 3.43Å; D145-Y149 VanDerWaalsContact N-O 3.1Å; D145-Y149 PolarHBondContact OD1-N 3.06Å; E147-Y149 HydrophobicContact CB-CD2 3.62Å; E147-Y149 HydrophobicContact CB-CE2 3.76Å; E147-Y149 WeakPolarHBondContact OE2-CD2 3.21Å; E147-Y149 VanDerWaalsContact OE2-CE2 3.24Å; E147-Y149 WeakPolarHBondContact OE2-CE2 3.37Å; Y149-T151 PolarHBondContact O-N 2.91Å
150	V	94.4	Very high	94.2	Very high	73 Å²	73	71.4 Å²	71.4	44%	0.442	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	121.2	175.4	177.7	0	0	0	0	109.1	C142 R143 Y144	C142-V150 HydrophobicContact CB-CB 4.4Å; C142-V150 HydrophobicContact CB-CG1 3.7Å; C142-V150 HydrophobicContact CB-CG2 3.83Å; R143-V150 CarbonylContact O-C 3.59Å; R143-V150 VanDerWaalsContact O-CA 3.31Å; R143-V150 WeakPolarHBondContact O-CA 3.41Å; Y144-V150 HydrophobicContact CD1-CG2 4.42Å; Y144-V150 HydrophobicContact CE1-CG2 3.99Å
151	T	93	Very high	94.3	Very high	62 Å²	62	75.7 Å²	75.7	38%	0.38	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-48.2	-178.8	45.6	0	0	0	0	111.9	A97 R143 D145 Y149	A97-T151 HydrophobicContact CB-CG2 4.01Å; A97-T151 WeakPolarHBondContact CB-OG1 3.41Å; R143-T151 PolarHBondContact O-N 3.45Å; R143-T151 PolarHBondContact O-OG1 2.91Å; D145-T151 HydrophobicContact CB-CG2 3.95Å; Y149-T151 PolarHBondContact O-N 2.91Å
152	E	93	Very high	94.3	Very high	80 Å²	80	74.6 Å²	74.6	37%	0.374	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	161.2	-170.9	-74.9	168.6	-136.6	0	0	110.5	C98 R143	C98-E152 WeakPolarHBondContact CB-OE1 3.38Å; C98-E152 PolarHBondContact SG-OE2 3.19Å; R143-E152 HydrophobicContact CB-CB 4.3Å; R143-E152 HydrophobicContact CG-CB 4.44Å; R143-E152 PolarHBondContact N-O 3.29Å
153	H	94.9	Very high	94.3	Very high	118 Å²	118	74.9 Å²	74.9	55%	0.546	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	140.7	172	-61.6	87.7	0	0	0	109.9	A141 S155	A141-H153 CarbonylContact O-C 3.55Å; A141-H153 VanDerWaalsContact O-CA 3.31Å; A141-H153 WeakPolarHBondContact O-CA 3.29Å; H153-S155 PolarHBondContact O-N 3.18Å
154	I	94.8	Very high	94.3	Very high	4 Å²	4	77.1 Å²	77.1	2%	0.021	41%	0.409	C	S	.	.			trans	-62.7	127.9	176	-63.1	-61	0	0	0	109.8	L95 M137 K138 A139 G140 A141 R143 E158	L95-I154 HydrophobicContact CD1-CD1 4.14Å; L95-I154 HydrophobicContact CD1-CG1 3.66Å; M137-I154 HydrophobicContact CE-CD1 4.22Å; M137-I154 HydrophobicContact CG-CD1 4.48Å; K138-I154 WeakPolarHBondContact O-CB 3.45Å; K138-I154 WeakPolarHBondContact O-CG2 3.35Å; A139-I154 WeakPolarHBondContact CA-O 3.39Å; G140-I154 PolarHBondContact N-O 3.25Å; A141-I154 HydrophobicContact CB-CB 4.4Å; A141-I154 HydrophobicContact CB-CG1 4.08Å; A141-I154 PolarHBondContact O-N 3.48Å; R143-I154 HydrophobicContact CG-CD1 4.03Å; R143-I154 VanDerWaalsContact NE-CD1 3.33Å; I154-E158 WeakPolarHBondContact CA-OE2 3.38Å; I154-E158 HydrophobicContact CG2-CB 3.82Å
155	S	95.8	Very high	94.3	Very high	50 Å²	50	77.3 Å²	77.3	35%	0.35	41%	0.41	S	S	.	.			trans	-78.2	163	174.8	64.3	0	0	0	0	112.1	H153 E157 E158 E159	H153-S155 PolarHBondContact O-N 3.18Å; S155-E157 PolarHBondContact O-N 2.9Å; S155-E158 PolarHBondContact N-OE2 3.29Å; S155-E158 PolarHBondContact O-N 2.94Å; S155-E158 VanDerWaalsContact OG-CG 3.26Å; S155-E158 WeakPolarHBondContact OG-CG 3.49Å; S155-E158 PolarHBondContact OG-N 2.87Å; S155-E158 PolarHBondContact OG-OE2 3.06Å; S155-E159 PolarHBondContact O-N 3.29Å; S155-E159 VanDerWaalsContact O-N 3.09Å
156	Q	96	Very high	94.3	Very high	158 Å²	158	76.7 Å²	76.7	74%	0.738	41%	0.406	S	S	*	.	H	α-helix	trans	-61.9	-33.7	174.4	-67.9	179.5	-4.6	0	0	112.3	A139 E159 A160	A139-Q156 HydrophobicContact CB-CG 3.92Å; Q156-E159 PolarHBondContact O-N 3.3Å; Q156-A160 PolarHBondContact O-N 2.89Å
157	E	96.2	Very high	94.5	Very high	165 Å²	165	77.9 Å²	77.9	77%	0.771	42%	0.42	S	S	*	.	H	α-helix	trans	-64.9	-41.4	176.7	-62.7	-176.2	178.3	0	0	111.7	S155 A160 Y161	S155-E157 PolarHBondContact O-N 2.9Å; E157-A160 PolarHBondContact O-N 3.42Å; E157-Y161 WeakPolarHBondContact O-CB 3.43Å; E157-Y161 PolarHBondContact O-N 3.35Å
158	E	94.9	Very high	94.7	Very high	50 Å²	50	76.4 Å²	76.4	23%	0.234	41%	0.411	C	S	.	.	H	α-helix	trans	-68.5	-36	177	-73.9	174.7	118.8	0	0	112.6	M137 R143 I154 S155 Y161 A162	M137-E158 HydrophobicContact CE-CB 4.12Å; R143-E158 IonicContact CZ-OE1 3.81Å; R143-E158 IonicContact NE-OE1 3.62Å; R143-E158 IonicContact NH2-OE1 2.65Å; R143-E158 PolarHBondContact NH2-OE1 3.03Å; I154-E158 WeakPolarHBondContact CA-OE2 3.38Å; I154-E158 HydrophobicContact CG2-CB 3.82Å; S155-E158 PolarHBondContact N-OE2 3.29Å; S155-E158 PolarHBondContact O-N 2.94Å; S155-E158 VanDerWaalsContact OG-CG 3.26Å; S155-E158 WeakPolarHBondContact OG-CG 3.49Å; S155-E158 PolarHBondContact OG-N 2.87Å; S155-E158 PolarHBondContact OG-OE2 3.06Å; E158-Y161 PolarHBondContact O-N 2.81Å; E158-A162 VanDerWaalsContact O-CB 3.29Å; E158-A162 WeakPolarHBondContact O-CB 3.33Å; E158-A162 PolarHBondContact O-N 3.5Å
159	E	95.7	Very high	94.9	Very high	80 Å²	80	75.3 Å²	75.3	37%	0.374	40%	0.398	S	S	.	.	H	α-helix	trans	-62.6	-46.8	171.9	175.4	171.7	-153.9	0	0	111.1	A139 S155 Q156 Y161 A162 G163	A139-E159 WeakPolarHBondContact CB-OE2 3.27Å; A139-E159 PolarHBondContact N-OE2 2.93Å; S155-E159 PolarHBondContact O-N 3.29Å; S155-E159 VanDerWaalsContact O-N 3.09Å; Q156-E159 PolarHBondContact O-N 3.3Å; E159-Y161 VanDerWaalsContact C-N 3.32Å; E159-Y161 PolarHBondContact O-N 2.92Å; E159-A162 PolarHBondContact O-N 3.46Å; E159-A162 VanDerWaalsContact O-N 3.16Å; E159-G163 PolarHBondContact O-N 3.41Å
160	A	96.3	Very high	95	Very high	70 Å²	70	73.4 Å²	73.4	58%	0.579	39%	0.389	S	S	*	.	H	α-helix	trans	-60.6	-42.9	176.6	0	0	0	0	0	111.6	Q156 E157 G163 A164	Q156-A160 PolarHBondContact O-N 2.89Å; E157-A160 PolarHBondContact O-N 3.42Å; A160-G163 PolarHBondContact O-N 2.98Å; A160-A164 PolarHBondContact O-N 2.87Å; A160-A164 VanDerWaalsContact O-N 3.11Å
161	Y	95.5	Very high	95.1	Very high	141 Å²	141	77.9 Å²	77.9	55%	0.553	40%	0.398	S	S	*	.	H	α-helix	trans	-60.3	-46.2	173	171.4	-98.8	0	0	0	111.9	E157 E158 E159 G163 A164 R165	E157-Y161 WeakPolarHBondContact O-CB 3.43Å; E157-Y161 PolarHBondContact O-N 3.35Å; E158-Y161 PolarHBondContact O-N 2.81Å; E159-Y161 VanDerWaalsContact C-N 3.32Å; E159-Y161 PolarHBondContact O-N 2.92Å; Y161-G163 VanDerWaalsContact C-N 3.33Å; Y161-G163 PolarHBondContact O-N 3.37Å; Y161-A164 PolarHBondContact O-N 3.37Å; Y161-R165 HydrophobicContact CD1-CG 4.19Å; Y161-R165 HydrophobicContact CD2-CG 4.22Å; Y161-R165 HydrophobicContact CE1-CG 3.76Å; Y161-R165 HydrophobicContact CE2-CG 3.77Å; Y161-R165 HydrophobicContact CG-CG 4.41Å; Y161-R165 WeakPolarHBondContact O-CB 3.37Å; Y161-R165 VanDerWaalsContact O-CG 3.27Å; Y161-R165 WeakPolarHBondContact O-CG 3.44Å; Y161-R165 PolarHBondContact O-N 2.9Å
162	A	95.4	Very high	95.1	Very high	1 Å²	1	77.9 Å²	77.9	1%	0.008	39%	0.394	C	S	.	.	H	α-helix	trans	-60.9	-42	178.8	0	0	0	0	0	111.5	L134 M137 E158 E159 R165 L166	L134-A162 HydrophobicContact CD2-CB 4.29Å; M137-A162 HydrophobicContact CB-CB 3.57Å; M137-A162 HydrophobicContact CE-CB 4.22Å; M137-A162 HydrophobicContact CG-CB 4.32Å; M137-A162 HydrophobicContact SD-CB 3.92Å; E158-A162 VanDerWaalsContact O-CB 3.29Å; E158-A162 WeakPolarHBondContact O-CB 3.33Å; E158-A162 PolarHBondContact O-N 3.5Å; E159-A162 PolarHBondContact O-N 3.46Å; E159-A162 VanDerWaalsContact O-N 3.16Å; A162-R165 PolarHBondContact O-N 3.37Å; A162-L166 VanDerWaalsContact O-CB 3.25Å; A162-L166 WeakPolarHBondContact O-CB 3.35Å; A162-L166 PolarHBondContact O-N 2.94Å
163	G	95.2	Very high	95.1	Very high	40 Å²	40	77.2 Å²	77.2	41%	0.412	39%	0.393	S	S	.	.	H	α-helix	trans	-59.1	-48.3	174.9	0	0	0	0	0	113.1	E159 A160 Y161 R165 L166 A167	E159-G163 PolarHBondContact O-N 3.41Å; A160-G163 PolarHBondContact O-N 2.98Å; Y161-G163 VanDerWaalsContact C-N 3.33Å; Y161-G163 PolarHBondContact O-N 3.37Å; G163-R165 VanDerWaalsContact C-N 3.32Å; G163-R165 PolarHBondContact O-N 3.15Å; G163-L166 PolarHBondContact O-N 2.64Å; G163-A167 PolarHBondContact O-N 3.24Å; G163-A167 VanDerWaalsContact O-N 3.17Å
164	A	95.2	Very high	95.1	Very high	70 Å²	70	79.1 Å²	79.1	58%	0.579	40%	0.396	S	S	*	.	H	α-helix	trans	-62.5	-39.7	177	0	0	0	0	0	112.1	A160 Y161 K168	A160-A164 PolarHBondContact O-N 2.87Å; A160-A164 VanDerWaalsContact O-N 3.11Å; Y161-A164 PolarHBondContact O-N 3.37Å; A164-K168 PolarHBondContact O-N 3.38Å
165	R	95.6	Very high	95.1	Very high	60 Å²	60	81.2 Å²	81.2	23%	0.226	41%	0.406	C	S	.	.	H	α-helix	trans	-67.1	-42.4	175.8	-71.9	-61	-54.4	-176.7	-0	112.1	L134 Y161 A162 G163 A167 K168 I169	L134-R165 HydrophobicContact CD1-CB 4.03Å; L134-R165 HydrophobicContact CD2-CB 4.14Å; Y161-R165 HydrophobicContact CD1-CG 4.19Å; Y161-R165 HydrophobicContact CD2-CG 4.22Å; Y161-R165 HydrophobicContact CE1-CG 3.76Å; Y161-R165 HydrophobicContact CE2-CG 3.77Å; Y161-R165 HydrophobicContact CG-CG 4.41Å; Y161-R165 WeakPolarHBondContact O-CB 3.37Å; Y161-R165 VanDerWaalsContact O-CG 3.27Å; Y161-R165 WeakPolarHBondContact O-CG 3.44Å; Y161-R165 PolarHBondContact O-N 2.9Å; A162-R165 PolarHBondContact O-N 3.37Å; G163-R165 VanDerWaalsContact C-N 3.32Å; G163-R165 PolarHBondContact O-N 3.15Å; R165-A167 VanDerWaalsContact C-N 3.34Å; R165-A167 PolarHBondContact O-N 3.21Å; R165-K168 WeakPolarHBondContact O-CB 3.48Å; R165-K168 PolarHBondContact O-N 3.32Å; R165-K168 VanDerWaalsContact O-N 3.14Å; R165-I169 WeakPolarHBondContact O-CG1 3.44Å; R165-I169 PolarHBondContact O-N 3.28Å
166	L	95.1	Very high	95	Very high	21 Å²	21	81.9 Å²	81.9	11%	0.11	40%	0.403	C	S	.	.	H	α-helix	trans	-59.9	-43.8	-179.5	179.7	62.9	0	0	0	111.2	E131 L134 A162 G163 K168 I169 R170	E131-L166 HydrophobicContact CB-CD1 4.1Å; E131-L166 HydrophobicContact CG-CD1 4.19Å; L134-L166 HydrophobicContact CB-CB 4.22Å; L134-L166 HydrophobicContact CB-CD1 4.14Å; L134-L166 HydrophobicContact CD1-CB 4.38Å; A162-L166 VanDerWaalsContact O-CB 3.25Å; A162-L166 WeakPolarHBondContact O-CB 3.35Å; A162-L166 PolarHBondContact O-N 2.94Å; G163-L166 PolarHBondContact O-N 2.64Å; L166-K168 VanDerWaalsContact C-N 3.3Å; L166-K168 PolarHBondContact O-N 2.94Å; L166-I169 PolarHBondContact O-N 2.69Å; L166-R170 HydrophobicContact CD1-CG 4.31Å; L166-R170 WeakPolarHBondContact O-CB 3.35Å; L166-R170 WeakPolarHBondContact O-CG 3.23Å; L166-R170 PolarHBondContact O-N 2.93Å
167	A	95.1	Very high	94.9	Very high	62 Å²	62	77.3 Å²	77.3	51%	0.512	39%	0.392	S	S	.	.	H	α-helix	trans	-58.1	-42	175.6	0	0	0	0	0	112.3	G163 R165 R171	G163-A167 PolarHBondContact O-N 3.24Å; G163-A167 VanDerWaalsContact O-N 3.17Å; R165-A167 VanDerWaalsContact C-N 3.34Å; R165-A167 PolarHBondContact O-N 3.21Å; A167-R171 PolarHBondContact O-N 3.4Å
168	K	95	Very high	94.8	Very high	114 Å²	114	75.7 Å²	75.7	50%	0.496	39%	0.385	S	S	.	.	H	α-helix	trans	-66.6	-45.4	176.5	-175.6	172.2	-177.8	168.4	0	112.1	A164 R165 L166 R171 Q172	A164-K168 PolarHBondContact O-N 3.38Å; R165-K168 WeakPolarHBondContact O-CB 3.48Å; R165-K168 PolarHBondContact O-N 3.32Å; R165-K168 VanDerWaalsContact O-N 3.14Å; L166-K168 VanDerWaalsContact C-N 3.3Å; L166-K168 PolarHBondContact O-N 2.94Å; K168-R171 PolarHBondContact O-N 2.89Å; K168-Q172 WeakPolarHBondContact O-CG 3.45Å; K168-Q172 PolarHBondContact O-N 3.32Å; K168-Q172 VanDerWaalsContact O-N 3.07Å
169	I	93.9	Very high	94.8	Very high	9 Å²	9	74.9 Å²	74.9	5%	0.046	38%	0.381	C	S	.	.	H	α-helix	trans	-63.1	-45.1	179.2	-66.6	-60.5	0	0	0	110.9	R129 E131 L134 R165 L166 R171 Q172 N173	R129-I169 HydrophobicContact CB-CD1 4.33Å; E131-I169 HydrophobicContact CG-CG2 3.8Å; L134-I169 HydrophobicContact CD1-CB 4.46Å; L134-I169 HydrophobicContact CD1-CG1 3.89Å; R165-I169 WeakPolarHBondContact O-CG1 3.44Å; R165-I169 PolarHBondContact O-N 3.28Å; L166-I169 PolarHBondContact O-N 2.69Å; I169-R171 VanDerWaalsContact C-N 3.29Å; I169-R171 PolarHBondContact O-N 2.84Å; I169-Q172 CarbonylContact O-C 3.59Å; I169-Q172 WeakPolarHBondContact O-CA 3.45Å; I169-Q172 WeakPolarHBondContact O-CB 3.42Å; I169-Q172 PolarHBondContact O-N 3.47Å; I169-N173 PolarHBondContact O-N 2.94Å
170	R	94.9	Very high	94.6	Very high	113 Å²	113	74.5 Å²	74.5	43%	0.426	38%	0.38	S	S	.	.	H	α-helix	trans	-58.6	-38.3	175.7	-76.8	177.4	174.7	169.4	1.8	113	E131 L166 R174	E131-R170 HydrophobicContact CG-CG 4.41Å; E131-R170 WeakPolarHBondContact OE2-CG 3.47Å; E131-R170 IonicContact OE2-NE 2.91Å; L166-R170 HydrophobicContact CD1-CG 4.31Å; L166-R170 WeakPolarHBondContact O-CB 3.35Å; L166-R170 WeakPolarHBondContact O-CG 3.23Å; L166-R170 PolarHBondContact O-N 2.93Å; R170-R174 WeakPolarHBondContact O-CG 3.44Å; R170-R174 PolarHBondContact O-N 3.06Å; R170-R174 PolarHBondContact O-NE 3.29Å
171	R	95.1	Very high	94.5	Very high	167 Å²	167	73.9 Å²	73.9	63%	0.63	38%	0.375	S	S	*	.	H	α-helix	trans	-63.3	-45.3	172.8	-175.3	-177.6	176.6	-153.3	-0.7	111.4	A167 K168 I169 R174 I175	A167-R171 PolarHBondContact O-N 3.4Å; K168-R171 PolarHBondContact O-N 2.89Å; I169-R171 VanDerWaalsContact C-N 3.29Å; I169-R171 PolarHBondContact O-N 2.84Å; R171-R174 PolarHBondContact O-N 3.49Å; R171-I175 HydrophobicContact CG-CD1 4.15Å; R171-I175 WeakPolarHBondContact O-CG1 3.41Å; R171-I175 PolarHBondContact O-N 2.99Å; R171-I175 VanDerWaalsContact O-N 3.14Å
172	Q	93.7	Very high	94.4	Very high	63 Å²	63	68.6 Å²	68.6	29%	0.294	36%	0.357	S	S	.	.	H	α-helix	trans	-64	-40.7	178.2	-67.7	-179.6	-23.5	0	0	111.9	Y67 K168 I169 I175 K176	Y67-Q172 HydrophobicContact CD1-CB 4.25Å; Y67-Q172 HydrophobicContact CD1-CG 4.5Å; Y67-Q172 HydrophobicContact CE1-CB 4.07Å; Y67-Q172 HydrophobicContact CE1-CG 4Å; K168-Q172 WeakPolarHBondContact O-CG 3.45Å; K168-Q172 PolarHBondContact O-N 3.32Å; K168-Q172 VanDerWaalsContact O-N 3.07Å; I169-Q172 CarbonylContact O-C 3.59Å; I169-Q172 WeakPolarHBondContact O-CA 3.45Å; I169-Q172 WeakPolarHBondContact O-CB 3.42Å; I169-Q172 PolarHBondContact O-N 3.47Å; Q172-I175 PolarHBondContact O-N 3.41Å; Q172-K176 WeakPolarHBondContact O-CB 3.01Å; Q172-K176 PolarHBondContact O-N 3.34Å
173	N	93	Very high	94.2	Very high	65 Å²	65	69.7 Å²	69.7	35%	0.348	36%	0.363	S	S	.	.	H	α-helix	trans	-67.1	-37.5	178.6	-73	-14.6	0	0	0	112.3	E131 I169 K176 A177	E131-N173 PolarHBondContact OE1-ND2 3.48Å; I169-N173 PolarHBondContact O-N 2.94Å; N173-K176 PolarHBondContact O-N 3.26Å; N173-A177 WeakPolarHBondContact O-CB 3.3Å; N173-A177 PolarHBondContact O-N 3.48Å
174	R	95.2	Very high	94	Very high	159 Å²	159	72.7 Å²	72.7	60%	0.6	37%	0.369	S	S	*	.	H	α-helix	trans	-59.9	-50.6	170.9	-76.2	-177	-71.7	175.4	-1.5	112	R170 R171 K176 A177 E178	R170-R174 WeakPolarHBondContact O-CG 3.44Å; R170-R174 PolarHBondContact O-N 3.06Å; R170-R174 PolarHBondContact O-NE 3.29Å; R171-R174 PolarHBondContact O-N 3.49Å; R174-K176 VanDerWaalsContact C-N 3.3Å; R174-K176 PolarHBondContact O-N 3.39Å; R174-A177 PolarHBondContact O-N 2.98Å; R174-A177 VanDerWaalsContact O-N 3.16Å; R174-E178 WeakPolarHBondContact O-CG 3.46Å; R174-E178 PolarHBondContact O-N 3.44Å
175	I	94.2	Very high	93.6	Very high	47 Å²	47	74 Å²	74	24%	0.241	36%	0.363	C	S	.	.	H	α-helix	trans	-60	-43	177.5	-65.1	165.4	0	0	0	110.7	Y67 R171 Q172 A177 E178 L179	Y67-I175 HydrophobicContact CE2-CG2 3.9Å; R171-I175 HydrophobicContact CG-CD1 4.15Å; R171-I175 WeakPolarHBondContact O-CG1 3.41Å; R171-I175 PolarHBondContact O-N 2.99Å; R171-I175 VanDerWaalsContact O-N 3.14Å; Q172-I175 PolarHBondContact O-N 3.41Å; I175-A177 VanDerWaalsContact C-N 3.35Å; I175-A177 PolarHBondContact O-N 2.94Å; I175-E178 PolarHBondContact O-N 3.24Å; I175-L179 HydrophobicContact CG2-CD1 3.98Å; I175-L179 HydrophobicContact CG2-CG 4.4Å; I175-L179 WeakPolarHBondContact O-CB 3.37Å; I175-L179 VanDerWaalsContact O-CG 3.29Å; I175-L179 WeakPolarHBondContact O-CG 3.45Å; I175-L179 PolarHBondContact O-N 3Å
176	K	93.8	Very high	92.3	Very high	65 Å²	65	82.8 Å²	82.8	28%	0.283	40%	0.403	S	S	.	.	H	α-helix	trans	-59.9	-45.1	176.5	-170.1	-170.1	176.1	-177.9	0	111.3	L64 Q172 N173 R174 L179 Q180	L64-K176 HydrophobicContact CD1-CB 4.32Å; L64-K176 HydrophobicContact CD1-CG 3.5Å; Q172-K176 WeakPolarHBondContact O-CB 3.01Å; Q172-K176 PolarHBondContact O-N 3.34Å; N173-K176 PolarHBondContact O-N 3.26Å; R174-K176 VanDerWaalsContact C-N 3.3Å; R174-K176 PolarHBondContact O-N 3.39Å; K176-L179 PolarHBondContact O-N 2.94Å; K176-Q180 WeakPolarHBondContact O-CB 3.05Å; K176-Q180 PolarHBondContact O-N 2.87Å
177	A	93.9	Very high	92.2	Very high	62 Å²	62	85.9 Å²	85.9	51%	0.512	42%	0.418	S	S	.	.	H	α-helix	trans	-65.6	-41.8	179.2	0	0	0	0	0	112.2	N173 R174 I175 Q180 A181	N173-A177 WeakPolarHBondContact O-CB 3.3Å; N173-A177 PolarHBondContact O-N 3.48Å; R174-A177 PolarHBondContact O-N 2.98Å; R174-A177 VanDerWaalsContact O-N 3.16Å; I175-A177 VanDerWaalsContact C-N 3.35Å; I175-A177 PolarHBondContact O-N 2.94Å; A177-Q180 PolarHBondContact O-N 3.07Å; A177-A181 WeakPolarHBondContact O-CB 3.46Å; A177-A181 PolarHBondContact O-N 3.43Å
178	E	94.8	Very high	92	Very high	131 Å²	131	87.2 Å²	87.2	61%	0.612	41%	0.413	S	S	*	.	H	α-helix	trans	-61.7	-46.8	175	-72.4	167.6	-167.9	0	0	111.7	R174 I175 Q180 A181 V182	R174-E178 WeakPolarHBondContact O-CG 3.46Å; R174-E178 PolarHBondContact O-N 3.44Å; I175-E178 PolarHBondContact O-N 3.24Å; E178-Q180 VanDerWaalsContact C-N 3.33Å; E178-Q180 PolarHBondContact O-N 3.14Å; E178-A181 PolarHBondContact O-N 3.29Å; E178-V182 WeakPolarHBondContact O-CG2 3.41Å; E178-V182 PolarHBondContact O-N 3.23Å
179	L	93.6	Very high	91.9	Very high	32 Å²	32	85.7 Å²	85.7	17%	0.168	41%	0.409	C	S	.	.	H	α-helix	trans	-63.4	-39.4	176.5	-71.2	174.3	0	0	0	111.9	A60 A63 L64 Y67 I175 K176 V182 L183	A60-L179 HydrophobicContact CB-CD2 4.2Å; A63-L179 HydrophobicContact CB-CD1 3.77Å; A63-L179 HydrophobicContact CB-CD2 4Å; L64-L179 HydrophobicContact CB-CB 4.48Å; L64-L179 HydrophobicContact CB-CD1 4.38Å; L64-L179 HydrophobicContact CD1-CB 4.04Å; L64-L179 HydrophobicContact CD1-CD1 4.37Å; Y67-L179 HydrophobicContact CD2-CD1 4.4Å; Y67-L179 HydrophobicContact CE2-CD1 4.2Å; I175-L179 HydrophobicContact CG2-CD1 3.98Å; I175-L179 HydrophobicContact CG2-CG 4.4Å; I175-L179 WeakPolarHBondContact O-CB 3.37Å; I175-L179 VanDerWaalsContact O-CG 3.29Å; I175-L179 WeakPolarHBondContact O-CG 3.45Å; I175-L179 PolarHBondContact O-N 3Å; K176-L179 PolarHBondContact O-N 2.94Å; L179-V182 PolarHBondContact O-N 3.45Å; L179-L183 WeakPolarHBondContact O-CG 3.43Å; L179-L183 PolarHBondContact O-N 3.31Å
180	Q	92.6	Very high	91.7	Very high	72 Å²	72	90.2 Å²	90.2	34%	0.336	43%	0.43	S	S	.	.	H	α-helix	trans	-65.2	-42	176.2	-172.9	59.6	47.9	0	0	111.3	K176 A177 E178 V182 L183 D184	K176-Q180 WeakPolarHBondContact O-CB 3.05Å; K176-Q180 PolarHBondContact O-N 2.87Å; A177-Q180 PolarHBondContact O-N 3.07Å; E178-Q180 VanDerWaalsContact C-N 3.33Å; E178-Q180 PolarHBondContact O-N 3.14Å; Q180-V182 VanDerWaalsContact C-N 3.27Å; Q180-V182 PolarHBondContact O-N 3.32Å; Q180-L183 WeakPolarHBondContact O-CA 3.4Å; Q180-L183 WeakPolarHBondContact O-CB 3.45Å; Q180-L183 PolarHBondContact O-N 3.32Å; Q180-D184 PolarHBondContact NE2-OD1 3.05Å; Q180-D184 PolarHBondContact O-N 3.08Å
181	A	94.5	Very high	91.5	Very high	58 Å²	58	88.8 Å²	88.8	48%	0.479	43%	0.43	S	S	.	.	H	α-helix	trans	-59.4	-36.3	176.5	0	0	0	0	0	112.6	A177 E178 L183 D184 E185	A177-A181 WeakPolarHBondContact O-CB 3.46Å; A177-A181 PolarHBondContact O-N 3.43Å; E178-A181 PolarHBondContact O-N 3.29Å; A181-L183 VanDerWaalsContact C-N 3.27Å; A181-L183 PolarHBondContact O-N 3.45Å; A181-D184 PolarHBondContact O-N 2.79Å; A181-E185 PolarHBondContact O-N 3.21Å
182	V	92.2	Very high	91.3	Very high	30 Å²	30	83.5 Å²	83.5	18%	0.182	42%	0.417	C	S	.	.	H	α-helix	trans	-63.9	-32	173.2	172.4	0	0	0	0	112.2	K56 K57 A60 E178 L179 Q180	K56-V182 HydrophobicContact CD-CG1 3.96Å; K56-V182 HydrophobicContact CG-CG1 3.78Å; K57-V182 WeakPolarHBondContact CE-O 3.46Å; A60-V182 HydrophobicContact CB-CB 4.18Å; A60-V182 HydrophobicContact CB-CG1 3.81Å; E178-V182 WeakPolarHBondContact O-CG2 3.41Å; E178-V182 PolarHBondContact O-N 3.23Å; L179-V182 PolarHBondContact O-N 3.45Å; Q180-V182 VanDerWaalsContact C-N 3.27Å; Q180-V182 PolarHBondContact O-N 3.32Å
183	L	91.6	Very high	91.1	Very high	24 Å²	24	85 Å²	85	13%	0.126	43%	0.425	C	S	.	.	H	α-helix	trans	-74.8	-35	176.7	-60.5	179.4	0	0	0	112.2	K57 A60 R61 L64 L179 Q180 A181	K57-L183 HydrophobicContact CB-CD2 3.98Å; K57-L183 VanDerWaalsContact CE-O 3.23Å; K57-L183 WeakPolarHBondContact CE-O 3.45Å; K57-L183 HydrophobicContact CG-CD2 4.25Å; K57-L183 PolarHBondContact NZ-O 3.11Å; K57-L183 VanDerWaalsContact O-CD2 3.27Å; K57-L183 WeakPolarHBondContact O-CD2 3.4Å; A60-L183 HydrophobicContact CB-CD2 3.84Å; A60-L183 HydrophobicContact CB-CG 4.3Å; R61-L183 HydrophobicContact CG-CD1 3.95Å; R61-L183 HydrophobicContact CG-CD2 3.54Å; R61-L183 HydrophobicContact CG-CG 4.42Å; L64-L183 HydrophobicContact CD2-CD1 3.77Å; L179-L183 WeakPolarHBondContact O-CG 3.43Å; L179-L183 PolarHBondContact O-N 3.31Å; Q180-L183 WeakPolarHBondContact O-CA 3.4Å; Q180-L183 WeakPolarHBondContact O-CB 3.45Å; Q180-L183 PolarHBondContact O-N 3.32Å; A181-L183 VanDerWaalsContact C-N 3.27Å; A181-L183 PolarHBondContact O-N 3.45Å
184	D	92.3	Very high	91	Very high	103 Å²	103	86.5 Å²	86.5	55%	0.551	43%	0.431	S	S	*	.	H	α-helix	trans	-79.6	-20.1	-178.4	-59.3	-23.9	0	0	0	112.7	Q180 A181 K186	Q180-D184 PolarHBondContact NE2-OD1 3.05Å; Q180-D184 PolarHBondContact O-N 3.08Å; A181-D184 PolarHBondContact O-N 2.79Å; D184-K186 PolarHBondContact O-N 2.91Å
185	E	85.6	Confident	90.7	Very high	97 Å²	97	80.5 Å²	80.5	45%	0.453	42%	0.417	S	S	.	.			trans	-56.5	116.8	175.1	-170.2	173.6	-155.8	0	0	111.1	K56 K57 A181	K56-E185 IonicContact NZ-OE2 2.81Å; K56-E185 PolarHBondContact NZ-OE2 3.45Å; K57-E185 WeakPolarHBondContact CE-O 3.31Å; K57-E185 PolarHBondContact NZ-O 2.81Å; A181-E185 PolarHBondContact O-N 3.21Å
186	K	69.1	Low	90.3	Very high	245 Å²	245	83.5 Å²	83.5	100%	1.065	43%	0.433	S	S	*	.			trans	-78.1	0	-174.4	-75.4	-174.1	178.5	177.1	0	113.8	D184	D184-K186 PolarHBondContact O-N 2.91Å

Retrieved 186 of 186 residues in 114.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).