A0A087YBR6_POEFO Loading...

NADH dehydrogenase [ubiquinone] iron-sulfur protein 4, mitochondrial

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession A0A087YBR6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 170 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	41.4	Very low	44.4	Very low	241 Å²	241	134.4 Å²	134.4	100%	1.187	84%	0.837	S	S	*	*				0	120.4	0	-82.4	-79	-179.1	0	0	108
2	A	40.4	Very low	44.3	Very low	93 Å²	93	144.4 Å²	144.4	77%	0.769	85%	0.848	S	S	*	*			trans	63.3	103.2	170.4	0	0	0	0	0	117.9
3	S	42.4	Very low	44.1	Very low	117 Å²	117	146.5 Å²	146.5	82%	0.818	85%	0.852	S	S	*	*				86.1	101	86.2	-69.3	0	0	0	0	111.9
4	S	45.3	Very low	44.1	Very low	109 Å²	109	144.4 Å²	144.4	76%	0.762	85%	0.849	S	S	*	*				53.8	116.9	90	-176.2	0	0	0	0	113.5
5	M	54.1	Low	43.9	Very low	175 Å²	175	145.9 Å²	145.9	86%	0.862	85%	0.851	S	S	*	*				-164.7	117.7	123.7	-76.5	-136.4	84.6	0	0	110
6	S	44	Very low	44.1	Very low	96 Å²	96	143.8 Å²	143.8	67%	0.671	85%	0.846	S	S	*	*			trans	-87.4	139.1	164.4	171.2	0	0	0	0	108.7
7	L	49.6	Very low	43.9	Very low	169 Å²	169	143.9 Å²	143.9	89%	0.885	84%	0.843	S	S	*	*			trans	-138.7	115.6	158.9	-88.6	172.6	0	0	0	110.6
8	L	44.3	Very low	44.1	Very low	157 Å²	157	143.2 Å²	143.2	82%	0.822	84%	0.84	S	S	*	*			trans	-66.2	128	172.6	-72.4	144.6	0	0	0	110.7
9	G	40.6	Very low	44.4	Very low	80 Å²	80	140.3 Å²	140.3	83%	0.825	83%	0.834	S	S	*	*			trans	-97.8	95.7	166.3	0	0	0	0	0	111.1
10	L	49.2	Very low	44.6	Very low	173 Å²	173	138.4 Å²	138.4	91%	0.906	83%	0.828	S	S	*	*			trans	-60.9	124.9	159.4	-68.6	150.8	0	0	0	107.3
11	G	37.7	Very low	44.7	Very low	68 Å²	68	143.4 Å²	143.4	70%	0.701	83%	0.832	S	S	*	*				97.6	99.8	68.3	0	0	0	0	0	110
12	R	42.3	Very low	45	Very low	255 Å²	255	139.6 Å²	139.6	96%	0.962	82%	0.815	S	S	*	*			trans	-148	93.7	155	-72.8	-160.7	179.2	-133.7	-1.2	109.8
13	L	41.9	Very low	45.4	Very low	172 Å²	172	143.3 Å²	143.3	90%	0.901	82%	0.821	S	S	*	*			trans	-80.2	124.3	162.4	-75.6	158.9	0	0	0	107.8
14	S	44	Very low	45.5	Very low	117 Å²	117	146 Å²	146	82%	0.818	83%	0.826	S	S	*	*			trans	-95.4	101.9	172	167.5	0	0	0	0	108.9
15	L	42	Very low	45.7	Very low	166 Å²	166	148.5 Å²	148.5	87%	0.869	83%	0.83	S	S	*	*			trans	-97.3	106.3	165.2	-81.4	157.8	0	0	0	107.9
16	S	46.1	Very low	45.6	Very low	112 Å²	112	145.1 Å²	145.1	78%	0.783	82%	0.821	S	S	*	*			trans	-94.2	98.2	165.4	53.3	0	0	0	0	108.9
17	N	40.8	Very low	45.7	Very low	147 Å²	147	145.3 Å²	145.3	79%	0.786	83%	0.828	S	S	*	*			trans	-91.9	120.1	170.9	-164.2	18.7	0	0	0	108
18	V	48.1	Very low	45.4	Very low	131 Å²	131	148.5 Å²	148.5	79%	0.794	83%	0.829	S	S	*	*			trans	-124.2	104.5	168.1	177.4	0	0	0	0	107.3
19	A	48.4	Very low	45.6	Very low	87 Å²	87	146.6 Å²	146.6	72%	0.719	83%	0.829	S	S	*	*			trans	-93.8	115.3	171.6	0	0	0	0	0	108.6
20	S	49.4	Very low	46.2	Very low	102 Å²	102	147.8 Å²	147.8	71%	0.713	83%	0.831	S	S	*	*			trans	-114.3	102.5	163.1	45.8	0	0	0	0	108.3
21	R	46.5	Very low	46	Very low	244 Å²	244	145 Å²	145	92%	0.921	83%	0.825	S	S	*	*			trans	-72.7	120.4	169.3	-73.3	-174.4	173.3	-173.4	-1.4	108.5
22	I	48	Very low	46.9	Very low	161 Å²	161	148.3 Å²	148.3	83%	0.826	83%	0.832	S	S	*	*			trans	-119.3	132.3	163.4	-62.8	178.6	0	0	0	107.4
23	L	48.8	Very low	47.1	Very low	171 Å²	171	141.3 Å²	141.3	90%	0.895	82%	0.823	S	S	*	*			trans	-68.7	139.3	-167.2	-67.4	160.8	0	0	0	112.1
24	L	44.7	Very low	47.4	Very low	175 Å²	175	137.2 Å²	137.2	92%	0.916	81%	0.814	S	S	*	*			trans	-69.7	135.5	165.8	-70.2	157.5	0	0	0	109.5
25	N	49.1	Very low	47.7	Very low	160 Å²	160	136.9 Å²	136.9	86%	0.856	81%	0.811	S	S	*	*			trans	-132.3	126.7	154.1	-155	29.9	0	0	0	109.1
26	P	51.3	Low	48	Very low	105 Å²	105	140.8 Å²	140.8	68%	0.682	82%	0.815	S	S	*	*			trans	-99	161.3	-175.5	36.8	-31.3	0	0	0	113.1
27	A	46.9	Very low	48	Very low	99 Å²	99	143 Å²	143	82%	0.818	82%	0.816	S	S	*	*			trans	72.2	139.6	162.1	0	0	0	0	0	116.3
28	R	43.6	Very low	48.5	Very low	236 Å²	236	140.8 Å²	140.8	89%	0.891	82%	0.819	S	S	*	*			cis	-179.1	136.7	-2.1	-177.3	-177.5	-160.1	-176.7	3.6	104.4
29	S	48.8	Very low	48.7	Very low	117 Å²	117	143.4 Å²	143.4	82%	0.818	82%	0.822	S	S	*	*			trans	177.9	124.5	130.2	-76.4	0	0	0	0	109.8
30	A	51.4	Low	48.8	Very low	106 Å²	106	148.8 Å²	148.8	88%	0.876	83%	0.829	S	S	*	*			trans	-66.5	133.5	169.4	0	0	0	0	0	109.4
31	S	46.4	Very low	48.8	Very low	113 Å²	113	148.8 Å²	148.8	79%	0.79	84%	0.836	S	S	*	*			trans	-140.4	113.1	156.3	-173.4	0	0	0	0	108
32	T	56.7	Low	49.2	Very low	138 Å²	138	145.8 Å²	145.8	85%	0.847	83%	0.832	S	S	*	*			trans	-65.1	121.3	172.1	47.2	0	0	0	0	109.9
33	S	46.6	Very low	49.4	Very low	108 Å²	108	146.8 Å²	146.8	76%	0.755	83%	0.833	S	S	*	*			trans	-157.3	96.7	151.7	60.9	0	0	0	0	109.9
34	A	48.6	Very low	49.6	Very low	86 Å²	86	144.7 Å²	144.7	71%	0.711	82%	0.823	S	S	*	*			trans	37.2	104.5	142.6	0	0	0	0	0	117.6	R36	A34-R36 PolarHBondContact O-N 3.36Å
35	S	49.7	Very low	50.4	Low	110 Å²	110	143 Å²	143	77%	0.769	82%	0.82	S	S	*	*			trans	12.3	102.7	131.9	49.3	0	0	0	0	116.6
36	R	47.5	Very low	51.7	Low	249 Å²	249	143.9 Å²	143.9	94%	0.94	82%	0.819	S	S	*	*			trans	-120.2	79.2	143.4	-87.8	-176.9	172.1	149.9	-1.9	107.6	A34 A38	A34-R36 PolarHBondContact O-N 3.36Å; R36-A38 PolarHBondContact O-N 2.87Å
37	L	47.2	Very low	53.2	Low	157 Å²	157	145.1 Å²	145.1	82%	0.822	82%	0.819	S	S	*	*			trans	-57.1	131.5	154.6	-80.4	168.3	0	0	0	106.3	E39	L37-E39 PolarHBondContact O-N 3.44Å
38	A	49.9	Very low	55.1	Low	101 Å²	101	147.7 Å²	147.7	84%	0.835	82%	0.818	S	S	*	*			trans	-58.1	98.9	177.2	0	0	0	0	0	109.3	R36 K40	R36-A38 PolarHBondContact O-N 2.87Å; A38-K40 VanDerWaalsContact C-N 3.26Å; A38-K40 PolarHBondContact O-N 3.01Å
39	E	53	Low	57.2	Low	186 Å²	186	142.5 Å²	142.5	87%	0.869	81%	0.813	S	S	*	*			trans	-72.2	91.2	161.2	-67.7	-168.7	-176.2	0	0	107.4	L37	L37-E39 PolarHBondContact O-N 3.44Å
40	K	50	Low	59.2	Low	200 Å²	200	141.3 Å²	141.3	87%	0.87	80%	0.8	S	S	*	*			trans	-136.4	75.9	153.5	-99.4	-169.9	174.2	-176.2	0	107.8	A38	A38-K40 VanDerWaalsContact C-N 3.26Å; A38-K40 PolarHBondContact O-N 3.01Å
41	A	51	Low	61	Low	102 Å²	102	144.1 Å²	144.1	84%	0.843	80%	0.8	S	S	*	*			trans	-134.5	46.3	163.7	0	0	0	0	0	108.7
42	E	55	Low	63.1	Low	181 Å²	181	146.1 Å²	146.1	85%	0.846	80%	0.797	S	S	*	*			trans	-95.3	101.6	166.5	-68.4	-176.8	168.1	0	0	106
43	Q	51	Low	64.6	Low	182 Å²	182	145.9 Å²	145.9	85%	0.85	78%	0.784	S	S	*	*	S	Bend	trans	157.7	73.7	148.3	-73.5	-145.7	-5.8	0	0	109
44	D	52.2	Low	66.6	Low	128 Å²	128	146.5 Å²	146.5	68%	0.684	78%	0.778	S	S	*	*			trans	-159.8	42.7	159.4	-106.1	-9.5	0	0	0	110.6	Q46	D44-Q46 PolarHBondContact O-N 2.96Å
45	T	63.2	Low	68.6	Low	138 Å²	138	146.9 Å²	146.9	85%	0.847	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	20.1	-174	57.8	0	0	0	0	114.6
46	Q	75.9	Confident	70.7	Confident	180 Å²	180	144.2 Å²	144.2	84%	0.841	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.4	8.3	-176.4	-61.7	-175.8	5.1	0	0	114	D44	D44-Q46 PolarHBondContact O-N 2.96Å
47	L	82.4	Confident	72.8	Confident	130 Å²	130	134.1 Å²	134.1	68%	0.681	71%	0.711	S	S	*	*			trans	-105.1	122.2	178.5	-62.8	174.9	0	0	0	110
48	I	88	Confident	74.9	Confident	153 Å²	153	132.5 Å²	132.5	79%	0.785	71%	0.708	S	S	*	*			trans	-103.8	121.3	173	-53.9	171.2	0	0	0	106.9	V50	I48-V50 HydrophobicContact CG2-CG2 3.77Å
49	T	86.7	Confident	77	Confident	128 Å²	128	134.5 Å²	134.5	79%	0.785	70%	0.704	S	S	*	*			trans	-87.2	114.6	170.9	50.8	0	0	0	0	108.9
50	V	90.4	Very high	78.9	Confident	91 Å²	91	128.4 Å²	128.4	55%	0.552	68%	0.679	S	S	*	*			trans	-116.2	112.3	177	-176.8	0	0	0	0	108.3	I48 E52	I48-V50 HydrophobicContact CG2-CG2 3.77Å; V50-E52 HydrophobicContact CG1-CB 3.93Å; V50-E52 HydrophobicContact CG1-CG 3.8Å; V50-E52 PolarHBondContact O-N 2.88Å
51	D	89.8	Confident	80.9	Confident	165 Å²	165	122.3 Å²	122.3	88%	0.882	67%	0.673	S	S	*	*			trans	-89.3	34.2	-177.4	-62.7	-29	0	0	0	112.4
52	E	89.6	Confident	82.9	Confident	156 Å²	156	119.5 Å²	119.5	73%	0.729	65%	0.646	S	S	*	*	S	Bend	trans	-96.1	157.3	178.6	-64.8	-175.4	175.8	0	0	111.5	V50 L54	V50-E52 HydrophobicContact CG1-CB 3.93Å; V50-E52 HydrophobicContact CG1-CG 3.8Å; V50-E52 PolarHBondContact O-N 2.88Å; E52-L54 PolarHBondContact O-N 3.35Å
53	K	88.1	Confident	84.7	Confident	132 Å²	132	114.2 Å²	114.2	57%	0.574	63%	0.627	S	S	*	*			trans	-64.7	131.9	172.9	-174.9	-178.3	172.6	-177	0	109.6	D55	K53-D55 WeakPolarHBondContact CE-OD1 3.34Å; K53-D55 PolarHBondContact O-N 3.49Å; K53-D55 VanDerWaalsContact O-N 3.11Å
54	L	89.9	Confident	86.7	Confident	121 Å²	121	111.6 Å²	111.6	63%	0.634	62%	0.615	S	S	*	*			trans	-78.3	93.6	-179.4	-61.3	179	0	0	0	111.4	E52 K135	E52-L54 PolarHBondContact O-N 3.35Å; L54-K135 HydrophobicContact CB-CG 4.37Å; L54-K135 VanDerWaalsContact O-CA 3.29Å; L54-K135 WeakPolarHBondContact O-CA 3.39Å; L54-K135 WeakPolarHBondContact O-CG 3.47Å
55	D	90.3	Very high	88.5	Confident	94 Å²	94	112 Å²	112	50%	0.503	61%	0.613	S	S	.	*			trans	-101.4	108.8	175.5	-66.5	-20.9	0	0	0	110.6	K53	K53-D55 WeakPolarHBondContact CE-OD1 3.34Å; K53-D55 PolarHBondContact O-N 3.49Å; K53-D55 VanDerWaalsContact O-N 3.11Å
56	I	93.6	Very high	89.9	Confident	54 Å²	54	106.6 Å²	106.6	28%	0.277	58%	0.578	S	S	.	*			trans	-100.7	-2.4	-177.2	-58.1	-169	0	0	0	112.3	T58 L59 T60 K135	I56-T58 VanDerWaalsContact C-N 3.27Å; I56-T58 PolarHBondContact O-N 3.5Å; I56-L59 HydrophobicContact CG2-CB 4.06Å; I56-L59 HydrophobicContact CG2-CD1 4.4Å; I56-L59 PolarHBondContact O-N 3.05Å; I56-T60 HydrophobicContact CG2-CG2 3.97Å; I56-T60 PolarHBondContact O-N 3.05Å; I56-K135 HydrophobicContact CB-CG 4.43Å; I56-K135 HydrophobicContact CD1-CD 3.78Å; I56-K135 HydrophobicContact CD1-CG 3.9Å; I56-K135 HydrophobicContact CG1-CD 4.35Å; I56-K135 HydrophobicContact CG1-CG 3.91Å; I56-K135 PolarHBondContact N-O 3.36Å
57	T	91.7	Very high	90.7	Very high	37 Å²	37	98.9 Å²	98.9	23%	0.227	54%	0.542	C	S	.	.	G	3₁₀ helix	trans	-40.4	-50.6	-176.4	49.4	0	0	0	0	114	L59 T60 I67 N136	T57-L59 VanDerWaalsContact C-N 3.28Å; T57-L59 PolarHBondContact O-N 3.21Å; T57-T60 PolarHBondContact O-N 3.26Å; T57-T60 PolarHBondContact O-OG1 3.27Å; T57-I67 HydrophobicContact CG2-CG2 4.36Å; T57-N136 VanDerWaalsContact CG2-C 3.42Å; T57-N136 WeakPolarHBondContact CG2-O 3.27Å
58	T	90.9	Very high	91.2	Very high	124 Å²	124	100 Å²	100	76%	0.761	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-67.8	-23.1	-176.4	55.7	0	0	0	0	114	I56	I56-T58 VanDerWaalsContact C-N 3.27Å; I56-T58 PolarHBondContact O-N 3.5Å
59	L	94.5	Very high	91.5	Very high	142 Å²	142	97.4 Å²	97.4	74%	0.743	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-91.7	-20.7	-177	-57.4	179.5	0	0	0	113.1	I56 T57 G61	I56-L59 HydrophobicContact CG2-CB 4.06Å; I56-L59 HydrophobicContact CG2-CD1 4.4Å; I56-L59 PolarHBondContact O-N 3.05Å; T57-L59 VanDerWaalsContact C-N 3.28Å; T57-L59 PolarHBondContact O-N 3.21Å; L59-G61 VanDerWaalsContact C-N 3.31Å; L59-G61 PolarHBondContact O-N 2.79Å
60	T	92	Very high	91.9	Very high	58 Å²	58	91.5 Å²	91.5	36%	0.356	50%	0.496	S	S	.	.	S	Bend	trans	-73	-18.9	-173.3	62.9	0	0	0	0	114.6	I56 T57 V62	I56-T60 HydrophobicContact CG2-CG2 3.97Å; I56-T60 PolarHBondContact O-N 3.05Å; T57-T60 PolarHBondContact O-N 3.26Å; T57-T60 PolarHBondContact O-OG1 3.27Å; T60-V62 PolarHBondContact O-N 3.15Å
61	G	92.9	Very high	92.1	Very high	72 Å²	72	91.3 Å²	91.3	74%	0.742	49%	0.488	S	S	*	.			trans	74.1	6.9	-176.8	0	0	0	0	0	115	L59	L59-G61 VanDerWaalsContact C-N 3.31Å; L59-G61 PolarHBondContact O-N 2.79Å
62	V	92.9	Very high	92.4	Very high	43 Å²	43	83.5 Å²	83.5	26%	0.261	45%	0.447	S	S	.	.			trans	-76.4	131.8	174	-179.2	0	0	0	0	109.2	T60 H66 I67	T60-V62 PolarHBondContact O-N 3.15Å; V62-H66 HydrophobicContact CG1-CB 3.93Å; V62-I67 HydrophobicContact CB-CD1 4.27Å; V62-I67 HydrophobicContact CB-CG1 4.25Å; V62-I67 HydrophobicContact CG1-CD1 4.44Å; V62-I67 HydrophobicContact CG1-CG1 3.91Å; V62-I67 WeakPolarHBondContact O-CD1 3.14Å
63	P	93.7	Very high	92.8	Very high	71 Å²	71	79.2 Å²	79.2	46%	0.461	43%	0.426	S	S	.	.			trans	-66.2	147.7	179.5	28.5	-36	0	0	0	111.5	E65 H66	P63-E65 PolarHBondContact O-N 3.43Å; P63-E65 VanDerWaalsContact O-N 3.1Å; P63-H66 VanDerWaalsContact CG-CD2 3.45Å; P63-H66 WeakPolarHBondContact CG-CD2 3.42Å; P63-H66 PolarHBondContact O-N 3.5Å
64	E	91.3	Very high	93.3	Very high	126 Å²	126	72.9 Å²	72.9	59%	0.589	40%	0.399	S	S	*	.	H	α-helix	trans	-58	-31	-173.7	-64.3	-167.9	-170.3	0	0	113.8	H66 I67 K68	E64-H66 PolarHBondContact O-N 2.87Å; E64-I67 PolarHBondContact O-N 3Å; E64-I67 VanDerWaalsContact O-N 3.07Å; E64-K68 PolarHBondContact O-N 2.78Å; E64-K68 IonicContact OE2-NZ 3.36Å; E64-K68 PolarHBondContact OE2-NZ 2.97Å
65	E	91.4	Very high	93.7	Very high	138 Å²	138	69.2 Å²	69.2	65%	0.645	38%	0.378	S	S	*	.	H	α-helix	trans	-56	-38.9	176.4	-61.6	-177	-178.5	0	0	112.2	P63 T69	P63-E65 PolarHBondContact O-N 3.43Å; P63-E65 VanDerWaalsContact O-N 3.1Å; E65-T69 WeakPolarHBondContact O-CB 3.38Å; E65-T69 PolarHBondContact O-N 2.8Å; E65-T69 PolarHBondContact O-OG1 3.41Å; E65-T69 VanDerWaalsContact O-OG1 3.04Å
66	H	92.9	Very high	94	Very high	24 Å²	24	65.6 Å²	65.6	11%	0.111	36%	0.359	C	S	.	.	H	α-helix	trans	-83.7	-17.9	179.4	-64.6	-40.8	0	0	0	112.8	V62 P63 E64 R70 L116	V62-H66 HydrophobicContact CG1-CB 3.93Å; P63-H66 VanDerWaalsContact CG-CD2 3.45Å; P63-H66 WeakPolarHBondContact CG-CD2 3.42Å; P63-H66 PolarHBondContact O-N 3.5Å; E64-H66 PolarHBondContact O-N 2.87Å; H66-R70 VanDerWaalsContact O-CB 3.23Å; H66-R70 WeakPolarHBondContact O-CB 3.29Å; H66-R70 WeakPolarHBondContact O-CG 3.43Å; H66-L116 HydrophobicContact CB-CD1 4.01Å
67	I	92.8	Very high	94.1	Very high	18 Å²	18	63.9 Å²	63.9	9%	0.092	35%	0.352	C	S	.	.	H	α-helix	trans	-82.7	-47.5	179	-59.4	175.2	0	0	0	110.5	T57 V62 E64	T57-I67 HydrophobicContact CG2-CG2 4.36Å; V62-I67 HydrophobicContact CB-CD1 4.27Å; V62-I67 HydrophobicContact CB-CG1 4.25Å; V62-I67 HydrophobicContact CG1-CD1 4.44Å; V62-I67 HydrophobicContact CG1-CG1 3.91Å; V62-I67 WeakPolarHBondContact O-CD1 3.14Å; E64-I67 PolarHBondContact O-N 3Å; E64-I67 VanDerWaalsContact O-N 3.07Å
68	K	92.4	Very high	94.3	Very high	152 Å²	152	66.5 Å²	66.5	66%	0.661	38%	0.377	S	S	*	.	H	α-helix	trans	-86.9	-39	-171.6	-67.5	172.2	179.6	164.5	0	113.6	E64	E64-K68 PolarHBondContact O-N 2.78Å; E64-K68 IonicContact OE2-NZ 3.36Å; E64-K68 PolarHBondContact OE2-NZ 2.97Å
69	T	94.7	Very high	94.5	Very high	100 Å²	100	64.8 Å²	64.8	61%	0.613	36%	0.359	S	S	*	.	S	Bend	trans	-79.1	-23.9	-174.5	-51.1	0	0	0	0	112.4	E65	E65-T69 WeakPolarHBondContact O-CB 3.38Å; E65-T69 PolarHBondContact O-N 2.8Å; E65-T69 PolarHBondContact O-OG1 3.41Å; E65-T69 VanDerWaalsContact O-OG1 3.04Å
70	R	93.3	Very high	94.5	Very high	3 Å²	3	61.6 Å²	61.6	1%	0.011	35%	0.345	C	S	.	.			trans	-87	150.9	-174	-67.5	-68.9	-169	166.9	17	112.2	H66 F96 D97 R99 D114	H66-R70 VanDerWaalsContact O-CB 3.23Å; H66-R70 WeakPolarHBondContact O-CB 3.29Å; H66-R70 WeakPolarHBondContact O-CG 3.43Å; R70-F96 HydrophobicContact CB-CD1 4.4Å; R70-D97 WeakPolarHBondContact CD-OD1 3.09Å; R70-D97 IonicContact CZ-OD2 3.81Å; R70-D97 IonicContact NE-OD1 4Å; R70-D97 PolarHBondContact NH1-O 3.48Å; R70-D97 IonicContact NH1-OD1 2.63Å; R70-D97 PolarHBondContact NH1-OD1 2.96Å; R70-D97 IonicContact NH1-OD2 3.85Å; R70-D97 PolarHBondContact NH1-OD2 2.76Å; R70-R99 VanDerWaalsContact CZ-CZ 3.46Å; R70-R99 VanDerWaalsContact NE-NE 3.2Å; R70-R99 VanDerWaalsContact NE-NH2 3.17Å; R70-R99 VanDerWaalsContact NH1-CG 3.31Å; R70-R99 VanDerWaalsContact NH2-NE 3.11Å; R70-D114 IonicContact CZ-OD1 3.79Å; R70-D114 IonicContact CZ-OD2 3.57Å; R70-D114 IonicContact NH1-OD2 2.78Å; R70-D114 IonicContact NH2-OD1 2.7Å; R70-D114 PolarHBondContact NH2-OD1 3.19Å; R70-D114 IonicContact NH2-OD2 2.71Å; R70-D114 PolarHBondContact NH2-OD2 3.32Å
71	K	95.3	Very high	94.7	Very high	88 Å²	88	62.9 Å²	62.9	38%	0.383	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	129.5	172.1	-162.4	-175.3	-171.5	-167	0	109.5	D97 S139 E141	K71-D97 PolarHBondContact N-OD1 3.35Å; K71-D97 VanDerWaalsContact N-OD1 3.1Å; K71-D97 PolarHBondContact O-N 3.05Å; K71-S139 CarbonylContact C-O 3.56Å; K71-S139 WeakPolarHBondContact CA-O 3.44Å; K71-E141 HydrophobicContact CD-CB 4.47Å; K71-E141 IonicContact NZ-OE2 2.71Å; K71-E141 PolarHBondContact NZ-OE2 3.35Å
72	V	97.3	Very high	94.9	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.006	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	137.5	174.8	172.9	0	0	0	0	109.6	I74 M94 D95 F96 W138 S139 Y140 E141	V72-I74 HydrophobicContact CG1-CG1 3.92Å; V72-M94 HydrophobicContact CB-CE 4.12Å; V72-M94 HydrophobicContact CG1-CB 4.45Å; V72-M94 HydrophobicContact CG1-CE 3.43Å; V72-M94 VanDerWaalsContact CG1-CE 3.43Å; V72-M94 HydrophobicContact CG1-CG 3.17Å; V72-M94 HydrophobicContact CG1-SD 4.02Å; V72-M94 HydrophobicContact CG2-CE 3.66Å; V72-D95 CarbonylContact C-O 3.59Å; V72-D95 WeakPolarHBondContact CA-O 3.36Å; V72-F96 HydrophobicContact CG2-CD1 3.94Å; V72-F96 HydrophobicContact CG2-CE1 3.59Å; V72-F96 HydrophobicContact CG2-CZ 4.15Å; V72-W138 HydrophobicContact CG2-CB 3.73Å; V72-W138 HydrophobicContact CG2-CD2 4.29Å; V72-W138 HydrophobicContact CG2-CE3 4.03Å; V72-W138 HydrophobicContact CG2-CG 4.22Å; V72-S139 PolarHBondContact N-O 2.99Å; V72-Y140 CarbonylContact O-C 3.56Å; V72-Y140 VanDerWaalsContact O-CA 3.24Å; V72-Y140 WeakPolarHBondContact O-CA 3.23Å; V72-E141 PolarHBondContact O-N 3.07Å
73	H	97.5	Very high	95	Very high	65 Å²	65	71.7 Å²	71.7	30%	0.301	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.8	169	-173	-135.8	0	0	0	110.5	F75 M94 D95 T143	H73-F75 HydrophobicContact CB-CD1 4.41Å; H73-F75 AromaticContact CE1-CD1 3.56Å; H73-F75 AromaticContact CE1-CG 3.72Å; H73-F75 AromaticContact CG-CD1 3.81Å; H73-F75 AromaticContact ND1-CD1 3.12Å; H73-F75 WeakPolarHBondContact ND1-CD1 3.27Å; H73-F75 AromaticContact ND1-CE1 3.56Å; H73-F75 AromaticContact ND1-CG 3.78Å; H73-M94 WeakPolarHBondContact O-CA 3.31Å; H73-D95 PolarHBondContact N-O 3.4Å; H73-D95 PolarHBondContact O-N 3.28Å; H73-T143 PolarHBondContact NE2-OG1 2.71Å
74	I	98.3	Very high	95.1	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	117.4	177.1	-58.8	173.9	0	0	0	108.3	V72 W92 K93 M94 A129 I130 A133 Y140 E141 V142 T143	V72-I74 HydrophobicContact CG1-CG1 3.92Å; I74-W92 HydrophobicContact CG2-CE3 3.86Å; I74-W92 HydrophobicContact CG2-CZ3 4.29Å; I74-K93 WeakPolarHBondContact CA-O 3.39Å; I74-M94 HydrophobicContact CG1-CG 4.19Å; I74-A129 HydrophobicContact CD1-CB 4.14Å; I74-A129 HydrophobicContact CG2-CB 3.78Å; I74-I130 HydrophobicContact CD1-CG1 4.09Å; I74-A133 HydrophobicContact CD1-CB 4.28Å; I74-Y140 HydrophobicContact CD1-CD2 4.16Å; I74-Y140 HydrophobicContact CD1-CG 4.31Å; I74-E141 PolarHBondContact N-O 3.3Å; I74-V142 HydrophobicContact CB-CG1 4.4Å; I74-V142 HydrophobicContact CB-CG2 4.31Å; I74-V142 HydrophobicContact CD1-CG2 4.42Å; I74-V142 HydrophobicContact CG2-CG1 4.33Å; I74-V142 WeakPolarHBondContact O-CA 3.36Å; I74-T143 PolarHBondContact O-N 3.1Å
75	F	97.8	Very high	95.3	Very high	43 Å²	43	70 Å²	70	19%	0.189	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	163.6	-175.3	66.9	-78.8	0	0	0	112.4	H73 P77 K93 D95	H73-F75 HydrophobicContact CB-CD1 4.41Å; H73-F75 AromaticContact CE1-CD1 3.56Å; H73-F75 AromaticContact CE1-CG 3.72Å; H73-F75 AromaticContact CG-CD1 3.81Å; H73-F75 AromaticContact ND1-CD1 3.12Å; H73-F75 WeakPolarHBondContact ND1-CD1 3.27Å; H73-F75 AromaticContact ND1-CE1 3.56Å; H73-F75 AromaticContact ND1-CG 3.78Å; F75-P77 HydrophobicContact CE2-CB 4.12Å; F75-K93 HydrophobicContact CZ-CB 4.49Å; F75-K93 PolarHBondContact N-O 3.38Å; F75-K93 PolarHBondContact O-N 3.04Å; F75-K93 VanDerWaalsContact O-O 3.1Å; F75-D95 HydrophobicContact CE1-CB 3.89Å
76	V	97.3	Very high	95.5	Very high	18 Å²	18	68.9 Å²	68.9	11%	0.109	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-95.4	124.9	164.1	180	0	0	0	0	107.9	A78 T89 W92 K145	V76-A78 PolarHBondContact O-N 3.08Å; V76-T89 HydrophobicContact CG1-CG2 3.55Å; V76-T89 WeakPolarHBondContact CG1-O 3.3Å; V76-W92 HydrophobicContact CG2-CD2 3.51Å; V76-W92 HydrophobicContact CG2-CE3 3.74Å; V76-W92 HydrophobicContact CG2-CG 4.02Å; V76-W92 HydrophobicContact CG2-CH2 4.09Å; V76-W92 HydrophobicContact CG2-CZ2 3.86Å; V76-W92 HydrophobicContact CG2-CZ3 4.03Å; V76-K145 HydrophobicContact CB-CB 4.37Å; V76-K145 HydrophobicContact CB-CG 4.13Å; V76-K145 HydrophobicContact CG1-CG 4.27Å; V76-K145 HydrophobicContact CG2-CB 3.86Å; V76-K145 HydrophobicContact CG2-CD 4.1Å; V76-K145 HydrophobicContact CG2-CG 3.87Å
77	P	96.4	Very high	95.5	Very high	19 Å²	19	73.2 Å²	73.2	12%	0.123	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-61.4	135.8	-176.4	26.8	-35.7	0	0	0	111.1	F75 S88 T89 K91 K93	F75-P77 HydrophobicContact CE2-CB 4.12Å; P77-S88 VanDerWaalsContact CG-O 3.27Å; P77-S88 WeakPolarHBondContact CG-O 3.32Å; P77-T89 WeakPolarHBondContact O-CG2 3.37Å; P77-T89 PolarHBondContact O-OG1 2.93Å; P77-K91 WeakPolarHBondContact CD-O 3.26Å; P77-K93 HydrophobicContact CB-CD 4.38Å; P77-K93 HydrophobicContact CG-CD 4Å; P77-K93 HydrophobicContact CG-CG 4.35Å
78	A	95.1	Very high	95.5	Very high	91 Å²	91	75.6 Å²	75.6	75%	0.752	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-61.9	148	176.4	0	0	0	0	0	110.8	V76 T80	V76-A78 PolarHBondContact O-N 3.08Å; A78-T80 PolarHBondContact O-N 2.81Å
79	K	94.9	Very high	95.6	Very high	89 Å²	89	69.7 Å²	69.7	39%	0.387	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-65.7	131.5	173.5	-172.8	-174.2	76.3	82.5	0	109.5	A81 Q83 G85 I86	K79-A81 PolarHBondContact O-N 3.31Å; K79-Q83 PolarHBondContact NZ-O 3.24Å; K79-G85 WeakPolarHBondContact CG-O 3.28Å; K79-I86 HydrophobicContact CD-CG2 3.96Å
80	T	95.4	Very high	95.6	Very high	74 Å²	74	70.9 Å²	70.9	45%	0.454	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-54.5	125.9	170.9	-50.6	0	0	0	0	110.1	A78 M82 Q83	A78-T80 PolarHBondContact O-N 2.81Å; T80-M82 VanDerWaalsContact C-N 3.28Å; T80-M82 HydrophobicContact CG2-CB 4.31Å; T80-M82 PolarHBondContact O-N 3.28Å; T80-Q83 PolarHBondContact O-N 3.01Å
81	A	94.4	Very high	95.8	Very high	86 Å²	86	76.2 Å²	76.2	71%	0.711	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-34.6	-176.8	0	0	0	0	0	112.5	K79 Q83	K79-A81 PolarHBondContact O-N 3.31Å; A81-Q83 VanDerWaalsContact C-N 3.3Å; A81-Q83 PolarHBondContact O-N 2.89Å
82	M	97.4	Very high	95.9	Very high	171 Å²	171	73.2 Å²	73.2	84%	0.842	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-20.7	-179.8	-59.9	-59.1	112.6	0	0	113.8	T80	T80-M82 VanDerWaalsContact C-N 3.28Å; T80-M82 HydrophobicContact CG2-CB 4.31Å; T80-M82 PolarHBondContact O-N 3.28Å
83	Q	96.3	Very high	95.9	Very high	129 Å²	129	76.9 Å²	76.9	60%	0.603	43%	0.432	S	S	*	.			trans	-116.4	145.1	-177.1	-66.8	-176.4	-9	0	0	111.3	K79 T80 A81	K79-Q83 PolarHBondContact NZ-O 3.24Å; T80-Q83 PolarHBondContact O-N 3.01Å; A81-Q83 VanDerWaalsContact C-N 3.3Å; A81-Q83 PolarHBondContact O-N 2.89Å
84	S	95.2	Very high	96	Very high	113 Å²	113	73.8 Å²	73.8	79%	0.79	42%	0.418	S	S	*	.			trans	-87.3	-13.5	178.2	-65.9	0	0	0	0	114
85	G	95.3	Very high	95.9	Very high	48 Å²	48	76 Å²	76	50%	0.495	43%	0.43	S	S	.	.			trans	-65.4	144.5	-179	0	0	0	0	0	113.3	K79	K79-G85 WeakPolarHBondContact CG-O 3.28Å
86	I	95	Very high	95.8	Very high	114 Å²	114	74.4 Å²	74.4	59%	0.585	42%	0.423	S	S	*	.			trans	-116	6.4	-176.7	61.1	162.4	0	0	0	114	K79 S88 T89	K79-I86 HydrophobicContact CD-CG2 3.96Å; I86-S88 VanDerWaalsContact C-N 3.29Å; I86-S88 PolarHBondContact O-N 3.29Å; I86-T89 PolarHBondContact O-N 3.48Å
87	N	94.6	Very high	95.7	Very high	116 Å²	116	76.4 Å²	76.4	62%	0.62	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-66.5	-32.6	-171.6	-163.1	45.8	0	0	0	112.9	T89 K90	N87-T89 VanDerWaalsContact C-N 3.3Å; N87-T89 PolarHBondContact O-N 3.4Å; N87-K90 PolarHBondContact O-N 2.85Å; N87-K90 WeakPolarHBondContact OD1-CD 3.48Å; N87-K90 WeakPolarHBondContact OD1-CE 3.2Å; N87-K90 PolarHBondContact OD1-NZ 2.94Å
88	S	92.6	Very high	95.6	Very high	67 Å²	67	80.2 Å²	80.2	47%	0.469	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-66.9	-25.9	178.8	34.2	0	0	0	0	113.8	P77 I86 K90	P77-S88 VanDerWaalsContact CG-O 3.27Å; P77-S88 WeakPolarHBondContact CG-O 3.32Å; I86-S88 VanDerWaalsContact C-N 3.29Å; I86-S88 PolarHBondContact O-N 3.29Å; S88-K90 VanDerWaalsContact C-N 3.27Å; S88-K90 PolarHBondContact O-N 3.28Å
89	T	94.6	Very high	95.5	Very high	28 Å²	28	79.9 Å²	79.9	17%	0.172	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-86.5	11.1	-177.4	-48.4	0	0	0	0	113	V76 P77 I86 N87	V76-T89 HydrophobicContact CG1-CG2 3.55Å; V76-T89 WeakPolarHBondContact CG1-O 3.3Å; P77-T89 WeakPolarHBondContact O-CG2 3.37Å; P77-T89 PolarHBondContact O-OG1 2.93Å; I86-T89 PolarHBondContact O-N 3.48Å; N87-T89 VanDerWaalsContact C-N 3.3Å; N87-T89 PolarHBondContact O-N 3.4Å
90	K	94.6	Very high	95.6	Very high	125 Å²	125	82.7 Å²	82.7	54%	0.543	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-86.2	-33.5	-178.1	-69	179.9	-179.4	169.8	0	113.6	N87 S88	N87-K90 PolarHBondContact O-N 2.85Å; N87-K90 WeakPolarHBondContact OD1-CD 3.48Å; N87-K90 WeakPolarHBondContact OD1-CE 3.2Å; N87-K90 PolarHBondContact OD1-NZ 2.94Å; S88-K90 VanDerWaalsContact C-N 3.27Å; S88-K90 PolarHBondContact O-N 3.28Å
91	K	96.8	Very high	95.6	Very high	115 Å²	115	84 Å²	84	50%	0.5	45%	0.447	S	S	.	.	S	Bend	trans	-98	147.1	-175.2	-62.3	-64.7	-173.9	172.3	0	110.6	P77	P77-K91 WeakPolarHBondContact CD-O 3.26Å
92	W	97.8	Very high	95.8	Very high	26 Å²	26	85.4 Å²	85.4	10%	0.098	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	143.2	166.7	-73.3	87.4	0	0	0	108.8	I74 V76 S122 F123 S125 K126 V142 T143 K145	I74-W92 HydrophobicContact CG2-CE3 3.86Å; I74-W92 HydrophobicContact CG2-CZ3 4.29Å; V76-W92 HydrophobicContact CG2-CD2 3.51Å; V76-W92 HydrophobicContact CG2-CE3 3.74Å; V76-W92 HydrophobicContact CG2-CG 4.02Å; V76-W92 HydrophobicContact CG2-CH2 4.09Å; V76-W92 HydrophobicContact CG2-CZ2 3.86Å; V76-W92 HydrophobicContact CG2-CZ3 4.03Å; W92-S122 CarbonylContact O-C 3.56Å; W92-S122 WeakPolarHBondContact O-CA 3.38Å; W92-F123 HydrophobicContact CB-CB 4.1Å; W92-F123 PolarHBondContact N-O 3.09Å; W92-F123 PolarHBondContact O-N 2.87Å; W92-S125 VanDerWaalsContact CD1-C 3.49Å; W92-K126 HydrophobicContact CD2-CB 4.17Å; W92-K126 HydrophobicContact CE3-CB 4.47Å; W92-K126 HydrophobicContact CH2-CB 4.02Å; W92-K126 HydrophobicContact CH2-CD 3.93Å; W92-K126 HydrophobicContact CH2-CG 4.06Å; W92-K126 HydrophobicContact CZ2-CB 3.69Å; W92-K126 HydrophobicContact CZ2-CD 4.26Å; W92-K126 HydrophobicContact CZ2-CG 4.24Å; W92-K126 HydrophobicContact CZ3-CB 4.39Å; W92-K126 HydrophobicContact CZ3-CD 4.49Å; W92-K126 HydrophobicContact CZ3-CG 4.27Å; W92-V142 HydrophobicContact CZ3-CG1 4.15Å; W92-T143 WeakPolarHBondContact CZ3-O 3.48Å; W92-K145 HydrophobicContact CH2-CB 4.28Å; W92-K145 HydrophobicContact CZ2-CB 4.06Å
93	K	97.8	Very high	95.8	Very high	78 Å²	78	84.2 Å²	84.2	34%	0.339	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	146.8	175	-70.7	-167.6	171.1	-163.7	0	109.4	I74 F75 P77 V120 L121	I74-K93 WeakPolarHBondContact CA-O 3.39Å; F75-K93 HydrophobicContact CZ-CB 4.49Å; F75-K93 PolarHBondContact N-O 3.38Å; F75-K93 PolarHBondContact O-N 3.04Å; F75-K93 VanDerWaalsContact O-O 3.1Å; P77-K93 HydrophobicContact CB-CD 4.38Å; P77-K93 HydrophobicContact CG-CD 4Å; P77-K93 HydrophobicContact CG-CG 4.35Å; K93-V120 HydrophobicContact CB-CG1 4.41Å; K93-V120 HydrophobicContact CD-CG1 3.89Å; K93-V120 HydrophobicContact CG-CG1 4.37Å; K93-L121 VanDerWaalsContact CA-O 3.27Å; K93-L121 WeakPolarHBondContact CA-O 3.43Å
94	M	97.7	Very high	95.9	Very high	0 Å²	0	80 Å²	80	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	123.7	175.1	-177.3	-176.6	170.9	0	0	106.7	V72 H73 I74 L121 F123 F132 A133 W138	V72-M94 HydrophobicContact CB-CE 4.12Å; V72-M94 HydrophobicContact CG1-CB 4.45Å; V72-M94 HydrophobicContact CG1-CE 3.43Å; V72-M94 VanDerWaalsContact CG1-CE 3.43Å; V72-M94 HydrophobicContact CG1-CG 3.17Å; V72-M94 HydrophobicContact CG1-SD 4.02Å; V72-M94 HydrophobicContact CG2-CE 3.66Å; H73-M94 WeakPolarHBondContact O-CA 3.31Å; I74-M94 HydrophobicContact CG1-CG 4.19Å; M94-L121 HydrophobicContact CB-CB 4.26Å; M94-L121 PolarHBondContact N-O 2.8Å; M94-L121 PolarHBondContact O-N 3.11Å; M94-L121 HydrophobicContact SD-CD1 4.15Å; M94-F123 HydrophobicContact CB-CD2 4.18Å; M94-F123 HydrophobicContact CB-CE2 3.6Å; M94-F123 HydrophobicContact CG-CE2 4.35Å; M94-F123 HydrophobicContact SD-CE2 3.73Å; M94-F123 HydrophobicContact SD-CZ 4.02Å; M94-F132 HydrophobicContact CE-CD1 4.15Å; M94-F132 HydrophobicContact SD-CD1 3.93Å; M94-A133 HydrophobicContact CE-CB 3.89Å; M94-W138 HydrophobicContact CE-CE3 3.24Å; M94-W138 HydrophobicContact CE-CZ3 3.42Å; M94-W138 VanDerWaalsContact CE-CZ3 3.42Å
95	D	96.8	Very high	96	Very high	47 Å²	47	80.9 Å²	80.9	25%	0.251	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	159.3	-177.4	-158.7	-2	0	0	0	109.3	V72 H73 F75	V72-D95 CarbonylContact C-O 3.59Å; V72-D95 WeakPolarHBondContact CA-O 3.36Å; H73-D95 PolarHBondContact N-O 3.4Å; H73-D95 PolarHBondContact O-N 3.28Å; F75-D95 HydrophobicContact CE1-CB 3.89Å
96	F	96.4	Very high	96.1	Very high	9 Å²	9	85.6 Å²	85.6	4%	0.039	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	159	176.3	-70.2	-89.7	0	0	0	110.8	R70 V72 T98 L116 M119 W138	R70-F96 HydrophobicContact CB-CD1 4.4Å; V72-F96 HydrophobicContact CG2-CD1 3.94Å; V72-F96 HydrophobicContact CG2-CE1 3.59Å; V72-F96 HydrophobicContact CG2-CZ 4.15Å; F96-T98 PolarHBondContact O-N 3.37Å; F96-L116 HydrophobicContact CD1-CD1 4.26Å; F96-L116 HydrophobicContact CD2-CB 4.23Å; F96-L116 HydrophobicContact CE1-CD1 4.07Å; F96-L116 HydrophobicContact CG-CB 4.24Å; F96-L116 HydrophobicContact CZ-CD1 4.33Å; F96-M119 HydrophobicContact CD2-CB 4.25Å; F96-M119 HydrophobicContact CD2-CE 4.48Å; F96-M119 HydrophobicContact CE2-CB 4.2Å; F96-M119 HydrophobicContact CE2-CE 3.61Å; F96-M119 HydrophobicContact CZ-CE 4.11Å; F96-W138 HydrophobicContact CE1-CD2 4.12Å; F96-W138 HydrophobicContact CE1-CE3 4.25Å; F96-W138 HydrophobicContact CZ-CD2 4.14Å; F96-W138 AromaticContact CZ-CE3 3.92Å; F96-W138 HydrophobicContact CZ-CE3 3.92Å; F96-W138 AromaticContact CZ-CH2 3.83Å; F96-W138 HydrophobicContact CZ-CH2 3.83Å; F96-W138 HydrophobicContact CZ-CZ2 4.06Å; F96-W138 AromaticContact CZ-CZ3 3.75Å; F96-W138 HydrophobicContact CZ-CZ3 3.75Å
97	D	94.4	Very high	96.2	Very high	59 Å²	59	85.4 Å²	85.4	32%	0.316	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-59.9	136.3	170.5	59.9	-61.9	0	0	0	111	R70 K71 R99	R70-D97 WeakPolarHBondContact CD-OD1 3.09Å; R70-D97 IonicContact CZ-OD2 3.81Å; R70-D97 IonicContact NE-OD1 4Å; R70-D97 PolarHBondContact NH1-O 3.48Å; R70-D97 IonicContact NH1-OD1 2.63Å; R70-D97 PolarHBondContact NH1-OD1 2.96Å; R70-D97 IonicContact NH1-OD2 3.85Å; R70-D97 PolarHBondContact NH1-OD2 2.76Å; K71-D97 PolarHBondContact N-OD1 3.35Å; K71-D97 VanDerWaalsContact N-OD1 3.1Å; K71-D97 PolarHBondContact O-N 3.05Å; D97-R99 PolarHBondContact O-N 3.25Å
98	T	93.7	Very high	96.4	Very high	100 Å²	100	81.7 Å²	81.7	61%	0.613	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-77.5	123.4	177.9	-70.3	0	0	0	0	110.3	F96	F96-T98 PolarHBondContact O-N 3.37Å
99	R	94.1	Very high	96.6	Very high	83 Å²	83	86.6 Å²	86.6	31%	0.313	42%	0.419	S	S	.	.			trans	-86.8	178.2	170.4	-100.6	-178.5	-149.2	174.4	2.3	112.3	R70 D97 D114	R70-R99 VanDerWaalsContact CZ-CZ 3.46Å; R70-R99 VanDerWaalsContact NE-NE 3.2Å; R70-R99 VanDerWaalsContact NE-NH2 3.17Å; R70-R99 VanDerWaalsContact NH1-CG 3.31Å; R70-R99 VanDerWaalsContact NH2-NE 3.11Å; D97-R99 PolarHBondContact O-N 3.25Å; R99-D114 HydrophobicContact CB-CB 4.19Å
100	E	95.9	Very high	96.7	Very high	149 Å²	149	89 Å²	89	70%	0.696	44%	0.443	S	S	*	.			trans	-55.2	137.6	178.1	-170.7	177.6	176.7	0	0	112.4	W102 T112	E100-W102 HydrophobicContact CG-CE3 4.39Å; E100-T112 PolarHBondContact O-OG1 2.91Å; E100-T112 VanDerWaalsContact O-OG1 3.05Å
101	R	97.3	Very high	96.9	Very high	102 Å²	102	84.9 Å²	84.9	39%	0.385	43%	0.429	S	S	.	.			trans	-124.6	127.5	167.2	-66.7	-172.9	163.8	86.8	-7.5	107.2	S111	R101-S111 WeakPolarHBondContact CA-O 3.44Å
102	W	97.6	Very high	96.9	Very high	114 Å²	114	81.9 Å²	81.9	43%	0.432	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	163.7	-178.1	62.6	91.7	0	0	0	111.2	E100 A110 S111 T112 A113	E100-W102 HydrophobicContact CG-CE3 4.39Å; W102-A110 CarbonylContact O-C 3.56Å; W102-A110 WeakPolarHBondContact O-CA 3.27Å; W102-S111 PolarHBondContact N-O 3.11Å; W102-S111 PolarHBondContact O-N 3.13Å; W102-T112 VanDerWaalsContact CH2-C 3.49Å; W102-A113 HydrophobicContact CH2-CB 3.72Å; W102-A113 HydrophobicContact CZ3-CB 4.28Å
103	E	98.1	Very high	96.8	Very high	146 Å²	146	84.5 Å²	84.5	68%	0.682	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	133.2	178.6	-172.2	176.3	176.7	0	0	111.3	P105 W109	E103-P105 WeakPolarHBondContact O-CD 3.27Å; E103-W109 CarbonylContact C-O 3.46Å
104	N	97.7	Very high	96.6	Very high	42 Å²	42	81.2 Å²	81.2	23%	0.225	43%	0.434	C	S	.	.			trans	-72.5	119.7	172	178.4	-5.6	0	0	0	110	L106 M107 G108 W109	N104-L106 PolarHBondContact O-N 3.44Å; N104-L106 PolarHBondContact OD1-N 3.28Å; N104-M107 PolarHBondContact O-N 2.68Å; N104-G108 WeakPolarHBondContact O-CA 3.34Å; N104-G108 PolarHBondContact O-N 3.37Å; N104-W109 HydrophobicContact CB-CB 4.2Å; N104-W109 WeakPolarHBondContact CB-O 3.42Å; N104-W109 PolarHBondContact N-O 3.4Å
105	P	97.6	Very high	96.5	Very high	131 Å²	131	85.2 Å²	85.2	85%	0.851	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-25.4	-175.7	-26.5	34.6	0	0	0	115.7	E103	E103-P105 WeakPolarHBondContact O-CD 3.27Å
106	L	96.9	Very high	96.4	Very high	147 Å²	147	83.8 Å²	83.8	77%	0.77	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-48	-177.3	-178.1	63.2	0	0	0	112.9	N104	N104-L106 PolarHBondContact O-N 3.44Å; N104-L106 PolarHBondContact OD1-N 3.28Å
107	M	98.3	Very high	96.3	Very high	109 Å²	109	84.1 Å²	84.1	54%	0.537	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-9.4	-169.5	-61.4	-57.5	-63.6	0	0	114.4	N104 W109	N104-M107 PolarHBondContact O-N 2.68Å; M107-W109 VanDerWaalsContact C-N 3.3Å; M107-W109 HydrophobicContact CB-CD2 3.94Å; M107-W109 HydrophobicContact CB-CE3 4.45Å; M107-W109 HydrophobicContact CB-CG 4.11Å; M107-W109 HydrophobicContact CB-CZ2 4.4Å; M107-W109 HydrophobicContact CE-CZ2 4.37Å; M107-W109 HydrophobicContact CG-CZ2 4.45Å; M107-W109 PolarHBondContact O-N 3.34Å
108	G	97.2	Very high	96.4	Very high	39 Å²	39	87.7 Å²	87.7	40%	0.402	48%	0.475	S	S	.	.			trans	74.6	13	-176	0	0	0	0	0	115	N104	N104-G108 WeakPolarHBondContact O-CA 3.34Å; N104-G108 PolarHBondContact O-N 3.37Å
109	W	97.9	Very high	96.4	Very high	169 Å²	169	86.2 Å²	86.2	64%	0.64	46%	0.462	S	S	*	.			trans	-73.3	153.6	178.9	-64.5	-15.9	0	0	0	112.9	E103 N104 M107 S111	E103-W109 CarbonylContact C-O 3.46Å; N104-W109 HydrophobicContact CB-CB 4.2Å; N104-W109 WeakPolarHBondContact CB-O 3.42Å; N104-W109 PolarHBondContact N-O 3.4Å; M107-W109 VanDerWaalsContact C-N 3.3Å; M107-W109 HydrophobicContact CB-CD2 3.94Å; M107-W109 HydrophobicContact CB-CE3 4.45Å; M107-W109 HydrophobicContact CB-CG 4.11Å; M107-W109 HydrophobicContact CB-CZ2 4.4Å; M107-W109 HydrophobicContact CE-CZ2 4.37Å; M107-W109 HydrophobicContact CG-CZ2 4.45Å; M107-W109 PolarHBondContact O-N 3.34Å; W109-S111 PolarHBondContact O-N 3.43Å; W109-S111 VanDerWaalsContact O-N 3.15Å
110	A	97.1	Very high	96.6	Very high	80 Å²	80	85.8 Å²	85.8	66%	0.661	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	97.4	174	0	0	0	0	0	110.7	W102	W102-A110 CarbonylContact O-C 3.56Å; W102-A110 WeakPolarHBondContact O-CA 3.27Å
111	S	97.3	Very high	96.6	Very high	37 Å²	37	81.3 Å²	81.3	26%	0.259	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	150.4	174.3	-68.7	0	0	0	0	111.1	R101 W102 W109	R101-S111 WeakPolarHBondContact CA-O 3.44Å; W102-S111 PolarHBondContact N-O 3.11Å; W102-S111 PolarHBondContact O-N 3.13Å; W109-S111 PolarHBondContact O-N 3.43Å; W109-S111 VanDerWaalsContact O-N 3.15Å
112	T	96.9	Very high	96.6	Very high	52 Å²	52	80.6 Å²	80.6	32%	0.319	46%	0.46	S	S	.	.			trans	-149.8	151.9	175.7	-167.2	0	0	0	0	111.1	E100 W102 D114	E100-T112 PolarHBondContact O-OG1 2.91Å; E100-T112 VanDerWaalsContact O-OG1 3.05Å; W102-T112 VanDerWaalsContact CH2-C 3.49Å; T112-D114 PolarHBondContact OG1-N 3.01Å
113	A	95.4	Very high	96.6	Very high	82 Å²	82	76.8 Å²	76.8	68%	0.678	45%	0.446	S	S	*	.			trans	-100.5	12.8	171.1	0	0	0	0	0	112.1	W102 P115	W102-A113 HydrophobicContact CH2-CB 3.72Å; W102-A113 HydrophobicContact CZ3-CB 4.28Å; A113-P115 VanDerWaalsContact O-CD 3.31Å; A113-P115 WeakPolarHBondContact O-CD 3.49Å
114	D	95.3	Very high	96.6	Very high	8 Å²	8	73.7 Å²	73.7	4%	0.043	44%	0.441	C	S	.	.			trans	-97.3	108.4	-175.8	-178.6	14.1	0	0	0	113	R70 R99 T112 L116 S117	R70-D114 IonicContact CZ-OD1 3.79Å; R70-D114 IonicContact CZ-OD2 3.57Å; R70-D114 IonicContact NH1-OD2 2.78Å; R70-D114 IonicContact NH2-OD1 2.7Å; R70-D114 PolarHBondContact NH2-OD1 3.19Å; R70-D114 IonicContact NH2-OD2 2.71Å; R70-D114 PolarHBondContact NH2-OD2 3.32Å; R99-D114 HydrophobicContact CB-CB 4.19Å; T112-D114 PolarHBondContact OG1-N 3.01Å; D114-L116 VanDerWaalsContact C-N 3.33Å; D114-L116 PolarHBondContact O-N 2.88Å; D114-L116 PolarHBondContact OD1-N 3.05Å; D114-S117 PolarHBondContact O-OG 3.35Å; D114-S117 PolarHBondContact OD1-N 3.39Å; D114-S117 WeakPolarHBondContact OD2-CA 3.36Å; D114-S117 VanDerWaalsContact OD2-CB 3.26Å; D114-S117 WeakPolarHBondContact OD2-CB 3.29Å; D114-S117 PolarHBondContact OD2-N 3.31Å
115	P	94.3	Very high	96.5	Very high	85 Å²	85	73 Å²	73	55%	0.552	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-26.3	179.1	29.1	-34	0	0	0	113.2	A113	A113-P115 VanDerWaalsContact O-CD 3.31Å; A113-P115 WeakPolarHBondContact O-CD 3.49Å
116	L	94.9	Very high	96.5	Very high	17 Å²	17	69.5 Å²	69.5	9%	0.089	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-4.5	-175.1	-53.9	-179.3	0	0	0	112.9	H66 F96 D114 N118 M119	H66-L116 HydrophobicContact CB-CD1 4.01Å; F96-L116 HydrophobicContact CD1-CD1 4.26Å; F96-L116 HydrophobicContact CD2-CB 4.23Å; F96-L116 HydrophobicContact CE1-CD1 4.07Å; F96-L116 HydrophobicContact CG-CB 4.24Å; F96-L116 HydrophobicContact CZ-CD1 4.33Å; D114-L116 VanDerWaalsContact C-N 3.33Å; D114-L116 PolarHBondContact O-N 2.88Å; D114-L116 PolarHBondContact OD1-N 3.05Å; L116-N118 PolarHBondContact O-N 3.23Å; L116-M119 HydrophobicContact CD2-CE 3.57Å; L116-M119 HydrophobicContact CD2-SD 4.17Å; L116-M119 PolarHBondContact O-N 3.5Å
117	S	94.8	Very high	96.5	Very high	16 Å²	16	68.5 Å²	68.5	11%	0.112	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-22.9	-172.4	58.8	0	0	0	0	115.9	D114	D114-S117 PolarHBondContact O-OG 3.35Å; D114-S117 PolarHBondContact OD1-N 3.39Å; D114-S117 WeakPolarHBondContact OD2-CA 3.36Å; D114-S117 VanDerWaalsContact OD2-CB 3.26Å; D114-S117 WeakPolarHBondContact OD2-CB 3.29Å; D114-S117 PolarHBondContact OD2-N 3.31Å
118	N	95.5	Very high	96.5	Very high	134 Å²	134	66.9 Å²	66.9	72%	0.717	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	7.5	-177.1	-60.7	-37.6	0	0	0	112.5	L116 V120	L116-N118 PolarHBondContact O-N 3.23Å; N118-V120 PolarHBondContact O-N 3.05Å
119	M	95.3	Very high	96.5	Very high	69 Å²	69	65 Å²	65	34%	0.34	38%	0.376	S	S	.	.			trans	-83.1	111.2	179.6	-67.1	-144.1	-44.1	0	0	110.9	F96 L116	F96-M119 HydrophobicContact CD2-CB 4.25Å; F96-M119 HydrophobicContact CD2-CE 4.48Å; F96-M119 HydrophobicContact CE2-CB 4.2Å; F96-M119 HydrophobicContact CE2-CE 3.61Å; F96-M119 HydrophobicContact CZ-CE 4.11Å; L116-M119 HydrophobicContact CD2-CE 3.57Å; L116-M119 HydrophobicContact CD2-SD 4.17Å; L116-M119 PolarHBondContact O-N 3.5Å
120	V	96.8	Very high	96.5	Very high	73 Å²	73	58.4 Å²	58.4	44%	0.442	35%	0.353	S	S	.	.			trans	-121.7	115	173.1	-178.8	0	0	0	0	109	K93 N118	K93-V120 HydrophobicContact CB-CG1 4.41Å; K93-V120 HydrophobicContact CD-CG1 3.89Å; K93-V120 HydrophobicContact CG-CG1 4.37Å; N118-V120 PolarHBondContact O-N 3.05Å
121	L	96.9	Very high	96.4	Very high	56 Å²	56	57.3 Å²	57.3	29%	0.293	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	142	178.7	-57	175.3	0	0	0	110.1	K93 M94 F123 F132	K93-L121 VanDerWaalsContact CA-O 3.27Å; K93-L121 WeakPolarHBondContact CA-O 3.43Å; M94-L121 HydrophobicContact CB-CB 4.26Å; M94-L121 PolarHBondContact N-O 2.8Å; M94-L121 PolarHBondContact O-N 3.11Å; M94-L121 HydrophobicContact SD-CD1 4.15Å; L121-F123 HydrophobicContact CB-CD2 4.48Å; L121-F123 HydrophobicContact CB-CE2 3.58Å; L121-F123 HydrophobicContact CB-CZ 3.88Å; L121-F123 HydrophobicContact CD1-CZ 4.22Å; L121-F132 HydrophobicContact CD1-CD1 4.11Å; L121-F132 HydrophobicContact CD1-CE1 3.42Å; L121-F132 VanDerWaalsContact CD1-CE1 3.42Å; L121-F132 HydrophobicContact CD1-CZ 4.15Å
122	S	97.5	Very high	96.4	Very high	87 Å²	87	59 Å²	59	61%	0.608	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.4	179.9	64.2	0	0	0	0	111.7	W92	W92-S122 CarbonylContact O-C 3.56Å; W92-S122 WeakPolarHBondContact O-CA 3.38Å
123	F	97.9	Very high	96.3	Very high	33 Å²	33	56.5 Å²	56.5	15%	0.145	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	157.1	-177.3	-60.6	-83.8	0	0	0	112.1	W92 M94 L121 D128 A129 F132	W92-F123 HydrophobicContact CB-CB 4.1Å; W92-F123 PolarHBondContact N-O 3.09Å; W92-F123 PolarHBondContact O-N 2.87Å; M94-F123 HydrophobicContact CB-CD2 4.18Å; M94-F123 HydrophobicContact CB-CE2 3.6Å; M94-F123 HydrophobicContact CG-CE2 4.35Å; M94-F123 HydrophobicContact SD-CE2 3.73Å; M94-F123 HydrophobicContact SD-CZ 4.02Å; L121-F123 HydrophobicContact CB-CD2 4.48Å; L121-F123 HydrophobicContact CB-CE2 3.58Å; L121-F123 HydrophobicContact CB-CZ 3.88Å; L121-F123 HydrophobicContact CD1-CZ 4.22Å; F123-D128 HydrophobicContact CD1-CB 4.29Å; F123-A129 HydrophobicContact CB-CB 4.13Å; F123-A129 HydrophobicContact CD1-CB 4.42Å; F123-A129 HydrophobicContact CD2-CB 3.62Å; F123-A129 HydrophobicContact CE2-CB 4.1Å; F123-A129 HydrophobicContact CG-CB 3.8Å; F123-F132 HydrophobicContact CE1-CB 3.97Å; F123-F132 HydrophobicContact CE1-CD1 4.31Å; F123-F132 HydrophobicContact CE1-CG 4.06Å; F123-F132 HydrophobicContact CZ-CB 4.05Å; F123-F132 AromaticContact CZ-CD1 3.71Å; F123-F132 HydrophobicContact CZ-CD1 3.71Å; F123-F132 HydrophobicContact CZ-CE1 4.38Å; F123-F132 AromaticContact CZ-CG 3.93Å; F123-F132 HydrophobicContact CZ-CG 3.93Å
124	S	96.6	Very high	96.3	Very high	82 Å²	82	56 Å²	56	57%	0.573	32%	0.315	S	S	*	.	S	Bend	trans	-75	-50.4	172.9	23.7	0	0	0	0	112.2	D128	S124-D128 PolarHBondContact OG-OD2 2.91Å
125	S	97.1	Very high	96.3	Very high	28 Å²	28	59.5 Å²	59.5	20%	0.196	33%	0.33	C	S	.	.	S	Bend	trans	-118.9	168.7	-173.5	79.6	0	0	0	0	111.5	W92 E127 D128	W92-S125 VanDerWaalsContact CD1-C 3.49Å; S125-E127 VanDerWaalsContact CB-OE2 3.29Å; S125-E127 WeakPolarHBondContact CB-OE2 3.42Å; S125-E127 PolarHBondContact OG-OE2 3Å; S125-D128 PolarHBondContact N-OD2 3.18Å; S125-D128 WeakPolarHBondContact OG-CB 3.43Å; S125-D128 PolarHBondContact OG-N 3.36Å; S125-D128 PolarHBondContact OG-OD1 2.84Å; S125-D128 PolarHBondContact OG-OD2 3.39Å
126	K	96.9	Very high	96.4	Very high	57 Å²	57	56.2 Å²	56.2	25%	0.248	31%	0.308	C	S	.	.	H	α-helix	trans	-74.6	-38.9	175.5	174.2	179.1	159.7	177.6	0	109.6	W92 A129 I130 V142	W92-K126 HydrophobicContact CD2-CB 4.17Å; W92-K126 HydrophobicContact CE3-CB 4.47Å; W92-K126 HydrophobicContact CH2-CB 4.02Å; W92-K126 HydrophobicContact CH2-CD 3.93Å; W92-K126 HydrophobicContact CH2-CG 4.06Å; W92-K126 HydrophobicContact CZ2-CB 3.69Å; W92-K126 HydrophobicContact CZ2-CD 4.26Å; W92-K126 HydrophobicContact CZ2-CG 4.24Å; W92-K126 HydrophobicContact CZ3-CB 4.39Å; W92-K126 HydrophobicContact CZ3-CD 4.49Å; W92-K126 HydrophobicContact CZ3-CG 4.27Å; K126-A129 PolarHBondContact O-N 2.98Å; K126-I130 HydrophobicContact CD-CD1 4.4Å; K126-I130 HydrophobicContact CG-CD1 3.8Å; K126-I130 HydrophobicContact CG-CG1 4.48Å; K126-I130 WeakPolarHBondContact O-CG1 3.49Å; K126-I130 PolarHBondContact O-N 3.4Å; K126-V142 HydrophobicContact CD-CG1 4.02Å; K126-V142 HydrophobicContact CG-CG1 4.2Å
127	E	97.2	Very high	96.3	Very high	126 Å²	126	57.1 Å²	57.1	59%	0.589	32%	0.321	S	S	*	.	H	α-helix	trans	-64.7	-43.1	-176.2	-59.5	71.8	-155.8	0	0	110.4	S125 A129 I130 A131	S125-E127 VanDerWaalsContact CB-OE2 3.29Å; S125-E127 WeakPolarHBondContact CB-OE2 3.42Å; S125-E127 PolarHBondContact OG-OE2 3Å; E127-A129 VanDerWaalsContact C-N 3.3Å; E127-A129 PolarHBondContact O-N 2.9Å; E127-I130 PolarHBondContact O-N 3.04Å; E127-A131 WeakPolarHBondContact O-CB 3.4Å; E127-A131 PolarHBondContact O-N 3.39Å
128	D	97.3	Very high	96.3	Very high	74 Å²	74	57.5 Å²	57.5	40%	0.396	32%	0.32	S	S	.	.	H	α-helix	trans	-60.6	-41.1	176.2	-59.3	-23.3	0	0	0	111.3	F123 S124 S125 F132	F123-D128 HydrophobicContact CD1-CB 4.29Å; S124-D128 PolarHBondContact OG-OD2 2.91Å; S125-D128 PolarHBondContact N-OD2 3.18Å; S125-D128 WeakPolarHBondContact OG-CB 3.43Å; S125-D128 PolarHBondContact OG-N 3.36Å; S125-D128 PolarHBondContact OG-OD1 2.84Å; S125-D128 PolarHBondContact OG-OD2 3.39Å; D128-F132 VanDerWaalsContact O-CB 3.3Å; D128-F132 WeakPolarHBondContact O-CB 3.43Å; D128-F132 PolarHBondContact O-N 2.94Å
129	A	97.4	Very high	96.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-68.7	-40.6	-179.9	0	0	0	0	0	111.6	I74 F123 K126 E127 F132 A133	I74-A129 HydrophobicContact CD1-CB 4.14Å; I74-A129 HydrophobicContact CG2-CB 3.78Å; F123-A129 HydrophobicContact CB-CB 4.13Å; F123-A129 HydrophobicContact CD1-CB 4.42Å; F123-A129 HydrophobicContact CD2-CB 3.62Å; F123-A129 HydrophobicContact CE2-CB 4.1Å; F123-A129 HydrophobicContact CG-CB 3.8Å; K126-A129 PolarHBondContact O-N 2.98Å; E127-A129 VanDerWaalsContact C-N 3.3Å; E127-A129 PolarHBondContact O-N 2.9Å; A129-F132 PolarHBondContact O-N 3.44Å; A129-A133 WeakPolarHBondContact O-CB 3.47Å; A129-A133 PolarHBondContact O-N 2.83Å
130	I	97.3	Very high	96.5	Very high	31 Å²	31	55 Å²	55	16%	0.159	31%	0.308	C	S	.	.	H	α-helix	trans	-65.7	-49.2	175.9	-67.7	168.2	0	0	0	110	I74 K126 E127 F132 A133 E134 Y140 V142	I74-I130 HydrophobicContact CD1-CG1 4.09Å; K126-I130 HydrophobicContact CD-CD1 4.4Å; K126-I130 HydrophobicContact CG-CD1 3.8Å; K126-I130 HydrophobicContact CG-CG1 4.48Å; K126-I130 WeakPolarHBondContact O-CG1 3.49Å; K126-I130 PolarHBondContact O-N 3.4Å; E127-I130 PolarHBondContact O-N 3.04Å; I130-F132 PolarHBondContact O-N 3.29Å; I130-A133 PolarHBondContact O-N 2.79Å; I130-A133 VanDerWaalsContact O-N 3.09Å; I130-E134 HydrophobicContact CG2-CG 4.26Å; I130-E134 WeakPolarHBondContact CG2-OE1 3.41Å; I130-E134 WeakPolarHBondContact O-CG 3.39Å; I130-E134 PolarHBondContact O-N 3.02Å; I130-Y140 HydrophobicContact CG1-CE2 4.16Å; I130-Y140 HydrophobicContact CG2-CE1 4.39Å; I130-Y140 HydrophobicContact CG2-CE2 4.1Å; I130-V142 HydrophobicContact CD1-CG2 4.1Å; I130-V142 HydrophobicContact CG1-CG2 4.09Å
131	A	96.7	Very high	96.5	Very high	56 Å²	56	56 Å²	56	46%	0.463	31%	0.308	S	S	.	.	H	α-helix	trans	-58.2	-39.7	178.1	0	0	0	0	0	111.4	E127 K135	E127-A131 WeakPolarHBondContact O-CB 3.4Å; E127-A131 PolarHBondContact O-N 3.39Å; A131-K135 WeakPolarHBondContact O-CB 3.26Å; A131-K135 PolarHBondContact O-N 3.26Å
132	F	96.4	Very high	96.5	Very high	72 Å²	72	55.3 Å²	55.3	32%	0.316	31%	0.306	S	S	.	.	H	α-helix	trans	-66.6	-41.5	175.4	-173	-99.2	0	0	0	112.8	M94 L121 F123 D128 A129 I130 K135 N136 W138	M94-F132 HydrophobicContact CE-CD1 4.15Å; M94-F132 HydrophobicContact SD-CD1 3.93Å; L121-F132 HydrophobicContact CD1-CD1 4.11Å; L121-F132 HydrophobicContact CD1-CE1 3.42Å; L121-F132 VanDerWaalsContact CD1-CE1 3.42Å; L121-F132 HydrophobicContact CD1-CZ 4.15Å; F123-F132 HydrophobicContact CE1-CB 3.97Å; F123-F132 HydrophobicContact CE1-CD1 4.31Å; F123-F132 HydrophobicContact CE1-CG 4.06Å; F123-F132 HydrophobicContact CZ-CB 4.05Å; F123-F132 AromaticContact CZ-CD1 3.71Å; F123-F132 HydrophobicContact CZ-CD1 3.71Å; F123-F132 HydrophobicContact CZ-CE1 4.38Å; F123-F132 AromaticContact CZ-CG 3.93Å; F123-F132 HydrophobicContact CZ-CG 3.93Å; D128-F132 VanDerWaalsContact O-CB 3.3Å; D128-F132 WeakPolarHBondContact O-CB 3.43Å; D128-F132 PolarHBondContact O-N 2.94Å; A129-F132 PolarHBondContact O-N 3.44Å; I130-F132 PolarHBondContact O-N 3.29Å; F132-K135 PolarHBondContact O-N 3.47Å; F132-N136 VanDerWaalsContact CE1-ND2 3.31Å; F132-N136 WeakPolarHBondContact CE1-ND2 3.12Å; F132-N136 WeakPolarHBondContact CE2-ND2 3.17Å; F132-N136 VanDerWaalsContact CZ-ND2 3.26Å; F132-N136 WeakPolarHBondContact CZ-ND2 3.24Å; F132-N136 PolarHBondContact O-N 3.3Å; F132-N136 PolarHBondContact O-ND2 2.76Å; F132-W138 HydrophobicContact CD1-CZ3 4.35Å; F132-W138 HydrophobicContact CE1-CH2 4.35Å; F132-W138 AromaticContact CE1-CZ3 3.84Å; F132-W138 HydrophobicContact CE1-CZ3 3.84Å
133	A	95.7	Very high	96.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.5	-44.4	176.3	0	0	0	0	0	111.7	I74 M94 A129 I130 N136 G137 W138 Y140	I74-A133 HydrophobicContact CD1-CB 4.28Å; M94-A133 HydrophobicContact CE-CB 3.89Å; A129-A133 WeakPolarHBondContact O-CB 3.47Å; A129-A133 PolarHBondContact O-N 2.83Å; I130-A133 PolarHBondContact O-N 2.79Å; I130-A133 VanDerWaalsContact O-N 3.09Å; A133-N136 CarbonylContact O-C 3.56Å; A133-N136 PolarHBondContact O-N 3Å; A133-G137 PolarHBondContact O-N 2.88Å; A133-G137 VanDerWaalsContact O-N 3.11Å; A133-W138 PolarHBondContact O-N 3.47Å; A133-Y140 HydrophobicContact CB-CD1 4.13Å; A133-Y140 HydrophobicContact CB-CG 4.33Å
134	E	95.3	Very high	96.4	Very high	71 Å²	71	58.8 Å²	58.8	33%	0.332	32%	0.316	S	S	.	.	H	α-helix	trans	-63.5	-41.3	177.3	-72.5	179.7	-175.6	0	0	112	I130 N136 G137 Y140	I130-E134 HydrophobicContact CG2-CG 4.26Å; I130-E134 WeakPolarHBondContact CG2-OE1 3.41Å; I130-E134 WeakPolarHBondContact O-CG 3.39Å; I130-E134 PolarHBondContact O-N 3.02Å; E134-N136 VanDerWaalsContact C-N 3.26Å; E134-N136 PolarHBondContact O-N 3.48Å; E134-G137 PolarHBondContact O-N 3.43Å; E134-Y140 HydrophobicContact CG-CE1 3.85Å; E134-Y140 PolarHBondContact OE1-OH 3.01Å
135	K	95.3	Very high	96.3	Very high	82 Å²	82	59.3 Å²	59.3	36%	0.357	31%	0.308	S	S	.	.	H	α-helix	trans	-60.8	-35.3	177.6	-168.1	-168.8	-151.3	-149.8	0	113.1	L54 I56 A131 F132 G137	L54-K135 HydrophobicContact CB-CG 4.37Å; L54-K135 VanDerWaalsContact O-CA 3.29Å; L54-K135 WeakPolarHBondContact O-CA 3.39Å; L54-K135 WeakPolarHBondContact O-CG 3.47Å; I56-K135 HydrophobicContact CB-CG 4.43Å; I56-K135 HydrophobicContact CD1-CD 3.78Å; I56-K135 HydrophobicContact CD1-CG 3.9Å; I56-K135 HydrophobicContact CG1-CD 4.35Å; I56-K135 HydrophobicContact CG1-CG 3.91Å; I56-K135 PolarHBondContact N-O 3.36Å; A131-K135 WeakPolarHBondContact O-CB 3.26Å; A131-K135 PolarHBondContact O-N 3.26Å; F132-K135 PolarHBondContact O-N 3.47Å; K135-G137 VanDerWaalsContact C-N 3.34Å
136	N	94.8	Very high	96	Very high	16 Å²	16	68.7 Å²	68.7	9%	0.086	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	4.7	177	-67.1	-67.5	0	0	0	112.9	T57 F132 A133 E134 W138	T57-N136 VanDerWaalsContact CG2-C 3.42Å; T57-N136 WeakPolarHBondContact CG2-O 3.27Å; F132-N136 VanDerWaalsContact CE1-ND2 3.31Å; F132-N136 WeakPolarHBondContact CE1-ND2 3.12Å; F132-N136 WeakPolarHBondContact CE2-ND2 3.17Å; F132-N136 VanDerWaalsContact CZ-ND2 3.26Å; F132-N136 WeakPolarHBondContact CZ-ND2 3.24Å; F132-N136 PolarHBondContact O-N 3.3Å; F132-N136 PolarHBondContact O-ND2 2.76Å; A133-N136 CarbonylContact O-C 3.56Å; A133-N136 PolarHBondContact O-N 3Å; E134-N136 VanDerWaalsContact C-N 3.26Å; E134-N136 PolarHBondContact O-N 3.48Å; N136-W138 VanDerWaalsContact C-N 3.26Å; N136-W138 HydrophobicContact CB-CD2 3.72Å; N136-W138 HydrophobicContact CB-CE3 3.78Å; N136-W138 HydrophobicContact CB-CG 4.35Å; N136-W138 HydrophobicContact CB-CH2 4.01Å; N136-W138 HydrophobicContact CB-CZ2 3.93Å; N136-W138 HydrophobicContact CB-CZ3 3.94Å; N136-W138 PolarHBondContact O-N 3.1Å
137	G	93.9	Very high	95.8	Very high	36 Å²	36	71.2 Å²	71.2	37%	0.371	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	25.4	176.9	0	0	0	0	0	115	A133 E134 K135	A133-G137 PolarHBondContact O-N 2.88Å; A133-G137 VanDerWaalsContact O-N 3.11Å; E134-G137 PolarHBondContact O-N 3.43Å; K135-G137 VanDerWaalsContact C-N 3.34Å
138	W	95.6	Very high	95.4	Very high	24 Å²	24	70.6 Å²	70.6	9%	0.091	37%	0.369	C	S	.	.			trans	-89.3	138.4	179.1	-61.2	-34.3	0	0	0	111.8	V72 M94 F96 F132 A133 N136	V72-W138 HydrophobicContact CG2-CB 3.73Å; V72-W138 HydrophobicContact CG2-CD2 4.29Å; V72-W138 HydrophobicContact CG2-CE3 4.03Å; V72-W138 HydrophobicContact CG2-CG 4.22Å; M94-W138 HydrophobicContact CE-CE3 3.24Å; M94-W138 HydrophobicContact CE-CZ3 3.42Å; M94-W138 VanDerWaalsContact CE-CZ3 3.42Å; F96-W138 HydrophobicContact CE1-CD2 4.12Å; F96-W138 HydrophobicContact CE1-CE3 4.25Å; F96-W138 HydrophobicContact CZ-CD2 4.14Å; F96-W138 AromaticContact CZ-CE3 3.92Å; F96-W138 HydrophobicContact CZ-CE3 3.92Å; F96-W138 AromaticContact CZ-CH2 3.83Å; F96-W138 HydrophobicContact CZ-CH2 3.83Å; F96-W138 HydrophobicContact CZ-CZ2 4.06Å; F96-W138 AromaticContact CZ-CZ3 3.75Å; F96-W138 HydrophobicContact CZ-CZ3 3.75Å; F132-W138 HydrophobicContact CD1-CZ3 4.35Å; F132-W138 HydrophobicContact CE1-CH2 4.35Å; F132-W138 AromaticContact CE1-CZ3 3.84Å; F132-W138 HydrophobicContact CE1-CZ3 3.84Å; A133-W138 PolarHBondContact O-N 3.47Å; N136-W138 VanDerWaalsContact C-N 3.26Å; N136-W138 HydrophobicContact CB-CD2 3.72Å; N136-W138 HydrophobicContact CB-CE3 3.78Å; N136-W138 HydrophobicContact CB-CG 4.35Å; N136-W138 HydrophobicContact CB-CH2 4.01Å; N136-W138 HydrophobicContact CB-CZ2 3.93Å; N136-W138 HydrophobicContact CB-CZ3 3.94Å; N136-W138 PolarHBondContact O-N 3.1Å
139	S	96.1	Very high	95.3	Very high	68 Å²	68	75.6 Å²	75.6	48%	0.476	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	134	169.9	-176.7	0	0	0	0	109.5	K71 V72	K71-S139 CarbonylContact C-O 3.56Å; K71-S139 WeakPolarHBondContact CA-O 3.44Å; V72-S139 PolarHBondContact N-O 2.99Å
140	Y	96.9	Very high	95.2	Very high	82 Å²	82	82 Å²	82	32%	0.322	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	155	-175	66.8	-88.7	0	0	0	113.2	V72 I74 I130 A133 E134 V142	V72-Y140 CarbonylContact O-C 3.56Å; V72-Y140 VanDerWaalsContact O-CA 3.24Å; V72-Y140 WeakPolarHBondContact O-CA 3.23Å; I74-Y140 HydrophobicContact CD1-CD2 4.16Å; I74-Y140 HydrophobicContact CD1-CG 4.31Å; I130-Y140 HydrophobicContact CG1-CE2 4.16Å; I130-Y140 HydrophobicContact CG2-CE1 4.39Å; I130-Y140 HydrophobicContact CG2-CE2 4.1Å; A133-Y140 HydrophobicContact CB-CD1 4.13Å; A133-Y140 HydrophobicContact CB-CG 4.33Å; E134-Y140 HydrophobicContact CG-CE1 3.85Å; E134-Y140 PolarHBondContact OE1-OH 3.01Å; Y140-V142 HydrophobicContact CD2-CG2 3.61Å; Y140-V142 HydrophobicContact CE2-CG2 3.77Å
141	E	97.1	Very high	95.1	Very high	96 Å²	96	90.4 Å²	90.4	45%	0.449	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.2	169.1	173.5	171.8	174.3	0	0	109.7	K71 V72 I74	K71-E141 HydrophobicContact CD-CB 4.47Å; K71-E141 IonicContact NZ-OE2 2.71Å; K71-E141 PolarHBondContact NZ-OE2 3.35Å; V72-E141 PolarHBondContact O-N 3.07Å; I74-E141 PolarHBondContact N-O 3.3Å
142	V	97.6	Very high	95.1	Very high	41 Å²	41	95 Å²	95	25%	0.248	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	121.7	-178.1	-167.4	0	0	0	0	110.8	I74 W92 K126 I130 Y140	I74-V142 HydrophobicContact CB-CG1 4.4Å; I74-V142 HydrophobicContact CB-CG2 4.31Å; I74-V142 HydrophobicContact CD1-CG2 4.42Å; I74-V142 HydrophobicContact CG2-CG1 4.33Å; I74-V142 WeakPolarHBondContact O-CA 3.36Å; W92-V142 HydrophobicContact CZ3-CG1 4.15Å; K126-V142 HydrophobicContact CD-CG1 4.02Å; K126-V142 HydrophobicContact CG-CG1 4.2Å; I130-V142 HydrophobicContact CD1-CG2 4.1Å; I130-V142 HydrophobicContact CG1-CG2 4.09Å; Y140-V142 HydrophobicContact CD2-CG2 3.61Å; Y140-V142 HydrophobicContact CE2-CG2 3.77Å
143	T	97.1	Very high	95.1	Very high	49 Å²	49	100.3 Å²	100.3	30%	0.301	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-97.3	122.3	168.2	-61.8	0	0	0	0	109.8	H73 I74 W92	H73-T143 PolarHBondContact NE2-OG1 2.71Å; I74-T143 PolarHBondContact O-N 3.1Å; W92-T143 WeakPolarHBondContact CZ3-O 3.48Å
144	E	95.2	Very high	95.1	Very high	143 Å²	143	103.8 Å²	103.8	67%	0.668	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-65.7	147.6	-179.2	-62.5	-168.6	157.9	0	0	113.1	R146	E144-R146 PolarHBondContact O-N 2.78Å
145	K	94.9	Very high	95.1	Very high	94 Å²	94	106.5 Å²	106.5	41%	0.409	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-65.7	116.4	179	-177.3	-180	-176.1	174.4	0	110.6	V76 W92 T147	V76-K145 HydrophobicContact CB-CB 4.37Å; V76-K145 HydrophobicContact CB-CG 4.13Å; V76-K145 HydrophobicContact CG1-CG 4.27Å; V76-K145 HydrophobicContact CG2-CB 3.86Å; V76-K145 HydrophobicContact CG2-CD 4.1Å; V76-K145 HydrophobicContact CG2-CG 3.87Å; W92-K145 HydrophobicContact CH2-CB 4.28Å; W92-K145 HydrophobicContact CZ2-CB 4.06Å; K145-T147 HydrophobicContact CG-CG2 4.48Å; K145-T147 PolarHBondContact O-N 3.36Å
146	R	91.9	Very high	95.2	Very high	224 Å²	224	105 Å²	105	85%	0.845	54%	0.544	S	S	*	.			trans	-83.6	106.3	174.6	-63.5	-177.3	178.4	175.9	0.1	110.9	E144	E144-R146 PolarHBondContact O-N 2.78Å
147	T	91.1	Very high	95.2	Very high	110 Å²	110	106 Å²	106	68%	0.675	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-88.5	137.4	173.1	54.2	0	0	0	0	111.7	K145	K145-T147 HydrophobicContact CG-CG2 4.48Å; K145-T147 PolarHBondContact O-N 3.36Å
148	S	90.5	Very high	95.3	Very high	113 Å²	113	106.6 Å²	106.6	79%	0.79	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-69	131.7	174.3	-175	0	0	0	0	110.7
149	K	95	Very high	95.3	Very high	179 Å²	179	110.9 Å²	110.9	78%	0.778	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-69.2	131	176.8	-62.4	-178.1	-179.1	-178.7	0	109.7	R151	K149-R151 PolarHBondContact O-N 3.22Å
150	P	95.2	Very high	95.3	Very high	134 Å²	134	108.5 Å²	108.5	87%	0.87	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-61.7	134.1	175.2	26.3	-33	0	0	0	109.5
151	R	94.9	Very high	95.2	Very high	208 Å²	208	115.6 Å²	115.6	79%	0.785	58%	0.578	S	S	*	*			trans	-108.8	130.5	179.9	-62.2	-172.4	179.8	-158.9	0.2	109.5	K149 K153	K149-R151 PolarHBondContact O-N 3.22Å; R151-K153 PolarHBondContact O-N 2.72Å
152	V	96.3	Very high	95.2	Very high	152 Å²	152	114.5 Å²	114.5	92%	0.921	58%	0.576	S	S	*	*			trans	-70.2	120.2	171.2	-176.1	0	0	0	0	108.4
153	K	95.9	Very high	95.1	Very high	184 Å²	184	118.4 Å²	118.4	80%	0.8	59%	0.589	S	S	*	*			trans	-124.8	126.3	176.7	-65.1	-177.4	-179.7	-179.3	0	108.4	R151	R151-K153 PolarHBondContact O-N 2.72Å
154	S	96.1	Very high	95	Very high	74 Å²	74	128 Å²	128	52%	0.517	62%	0.62	S	S	.	*			trans	-124	128.5	172.4	172.5	0	0	0	0	108.9	G156 A157	S154-G156 VanDerWaalsContact C-N 3.31Å; S154-G156 PolarHBondContact O-N 3.05Å; S154-G156 PolarHBondContact OG-N 2.71Å; S154-A157 WeakPolarHBondContact O-CB 3.49Å; S154-A157 PolarHBondContact O-N 2.63Å
155	Y	96.2	Very high	95	Very high	127 Å²	127	124.7 Å²	124.7	50%	0.498	61%	0.61	S	S	.	*	S	Bend	trans	-66.5	-35.5	178.4	-173.5	-109.5	0	0	0	111.7	A157 N158 F159 K170	Y155-A157 PolarHBondContact O-N 2.87Å; Y155-N158 VanDerWaalsContact CD2-ND2 3.34Å; Y155-N158 WeakPolarHBondContact CD2-ND2 3.16Å; Y155-N158 VanDerWaalsContact O-CB 3.27Å; Y155-N158 WeakPolarHBondContact O-CB 3.12Å; Y155-N158 PolarHBondContact O-N 3.33Å; Y155-N158 PolarHBondContact O-ND2 3.38Å; Y155-F159 HydrophobicContact CE1-CD2 4.48Å; Y155-F159 AromaticContact CE1-CE2 3.78Å; Y155-F159 HydrophobicContact CE1-CE2 3.78Å; Y155-F159 HydrophobicContact CE2-CE2 4.29Å; Y155-F159 AromaticContact CZ-CE2 3.62Å; Y155-F159 WeakPolarHBondContact OH-CE2 3.45Å; Y155-K170 WeakPolarHBondContact OH-CD 2.98Å; Y155-K170 WeakPolarHBondContact OH-CE 3.31Å; Y155-K170 PolarHBondContact OH-NZ 3.44Å
156	G	95.9	Very high	95	Very high	51 Å²	51	127.9 Å²	127.9	53%	0.526	62%	0.619	S	S	.	*	G	3₁₀ helix	trans	-61.8	-28.1	175.6	0	0	0	0	0	113.3	S154 N158 F159	S154-G156 VanDerWaalsContact C-N 3.31Å; S154-G156 PolarHBondContact O-N 3.05Å; S154-G156 PolarHBondContact OG-N 2.71Å; G156-N158 PolarHBondContact O-N 2.7Å; G156-F159 PolarHBondContact O-N 3.04Å
157	A	95.1	Very high	95.2	Very high	37 Å²	37	125.1 Å²	125.1	31%	0.306	61%	0.609	S	S	.	*	G	3₁₀ helix	trans	-64.2	-22	175.5	0	0	0	0	0	113.1	S154 Y155 F159 T165	S154-A157 WeakPolarHBondContact O-CB 3.49Å; S154-A157 PolarHBondContact O-N 2.63Å; Y155-A157 PolarHBondContact O-N 2.87Å; A157-F159 PolarHBondContact O-N 2.99Å; A157-T165 CarbonylContact O-C 3.54Å; A157-T165 VanDerWaalsContact O-CB 3.28Å; A157-T165 WeakPolarHBondContact O-CB 3.36Å; A157-T165 PolarHBondContact O-OG1 2.78Å
158	N	96.6	Very high	95.4	Very high	48 Å²	48	126 Å²	126	26%	0.257	62%	0.62	S	S	.	*	G	3₁₀ helix	trans	-69.1	-14.8	174.5	-61.7	-37	0	0	0	112.9	Y155 G156 R166 R167	Y155-N158 VanDerWaalsContact CD2-ND2 3.34Å; Y155-N158 WeakPolarHBondContact CD2-ND2 3.16Å; Y155-N158 VanDerWaalsContact O-CB 3.27Å; Y155-N158 WeakPolarHBondContact O-CB 3.12Å; Y155-N158 PolarHBondContact O-N 3.33Å; Y155-N158 PolarHBondContact O-ND2 3.38Å; G156-N158 PolarHBondContact O-N 2.7Å; N158-R166 CarbonylContact O-C 3.48Å; N158-R166 VanDerWaalsContact O-CA 3.27Å; N158-R166 WeakPolarHBondContact O-CA 3.43Å; N158-R167 HydrophobicContact CB-CG 4.11Å; N158-R167 PolarHBondContact O-N 3.03Å
159	F	95.6	Very high	95.4	Very high	115 Å²	115	124.5 Å²	124.5	50%	0.504	61%	0.614	S	S	.	*	G	3₁₀ helix	trans	-129.2	28.3	-177.5	-55.3	-77	0	0	0	112.9	Y155 G156 A157	Y155-F159 HydrophobicContact CE1-CD2 4.48Å; Y155-F159 AromaticContact CE1-CE2 3.78Å; Y155-F159 HydrophobicContact CE1-CE2 3.78Å; Y155-F159 HydrophobicContact CE2-CE2 4.29Å; Y155-F159 AromaticContact CZ-CE2 3.62Å; Y155-F159 WeakPolarHBondContact OH-CE2 3.45Å; G156-F159 PolarHBondContact O-N 3.04Å; A157-F159 PolarHBondContact O-N 2.99Å
160	S	95.3	Very high	94.9	Very high	18 Å²	18	126.7 Å²	126.7	13%	0.126	62%	0.623	C	S	.	*			trans	-58.2	136.9	177.2	53.6	0	0	0	0	112.2	K163 T165 R166	S160-K163 WeakPolarHBondContact OG-CB 3.4Å; S160-K163 PolarHBondContact OG-O 2.82Å; S160-T165 PolarHBondContact OG-OG1 3.44Å; S160-T165 VanDerWaalsContact OG-OG1 3.08Å; S160-R166 WeakPolarHBondContact O-CD 3.32Å
161	W	95.7	Very high	94.9	Very high	230 Å²	230	126.3 Å²	126.3	87%	0.871	61%	0.611	S	S	*	*	S	Bend	trans	-69.3	-37.3	-178.1	79.2	-86.1	0	0	0	113
162	D	96.1	Very high	94.9	Very high	73 Å²	73	122 Å²	122	39%	0.39	60%	0.602	S	S	.	*	S	Bend	trans	-118.1	-13.5	-174	62.9	-19.4	0	0	0	114.9
163	K	96.3	Very high	94.8	Very high	123 Å²	123	120.3 Å²	120.3	54%	0.535	58%	0.584	S	S	.	*	S	Bend	trans	-91.3	149.7	-177.2	-45.3	-53.6	-178.8	-153.6	0	112.4	S160 T165 R166	S160-K163 WeakPolarHBondContact OG-CB 3.4Å; S160-K163 PolarHBondContact OG-O 2.82Å; K163-T165 PolarHBondContact O-N 3.15Å; K163-T165 VanDerWaalsContact O-N 3.13Å; K163-R166 PolarHBondContact O-N 2.83Å
164	R	95.4	Very high	94.8	Very high	252 Å²	252	116.6 Å²	116.6	95%	0.951	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-4.8	175.5	-163.5	170.8	-175	158.6	2.8	113.8	R166	R164-R166 PolarHBondContact O-N 3.41Å
165	T	94.9	Very high	94.7	Very high	73 Å²	73	119.3 Å²	119.3	45%	0.448	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.9	-12.1	176.1	52.4	0	0	0	0	113	A157 S160 K163 R167	A157-T165 CarbonylContact O-C 3.54Å; A157-T165 VanDerWaalsContact O-CB 3.28Å; A157-T165 WeakPolarHBondContact O-CB 3.36Å; A157-T165 PolarHBondContact O-OG1 2.78Å; S160-T165 PolarHBondContact OG-OG1 3.44Å; S160-T165 VanDerWaalsContact OG-OG1 3.08Å; K163-T165 PolarHBondContact O-N 3.15Å; K163-T165 VanDerWaalsContact O-N 3.13Å; T165-R167 PolarHBondContact O-N 3.19Å
166	R	95.8	Very high	94.6	Very high	160 Å²	160	118.7 Å²	118.7	60%	0.604	58%	0.58	S	S	*	*			trans	-58.2	123.2	177.3	-172.1	167.3	65.9	88.2	-2.9	111.2	N158 S160 K163 R164	N158-R166 CarbonylContact O-C 3.48Å; N158-R166 VanDerWaalsContact O-CA 3.27Å; N158-R166 WeakPolarHBondContact O-CA 3.43Å; S160-R166 WeakPolarHBondContact O-CD 3.32Å; K163-R166 PolarHBondContact O-N 2.83Å; R164-R166 PolarHBondContact O-N 3.41Å
167	R	94.7	Very high	94.5	Very high	166 Å²	166	123.6 Å²	123.6	63%	0.626	58%	0.584	S	S	*	*			trans	-79.9	143.2	176	-64.9	-66.7	-175.7	174.7	0.1	110	N158 T165	N158-R167 HydrophobicContact CB-CG 4.11Å; N158-R167 PolarHBondContact O-N 3.03Å; T165-R167 PolarHBondContact O-N 3.19Å
168	S	94.9	Very high	94.5	Very high	130 Å²	130	130.2 Å²	130.2	91%	0.909	61%	0.605	S	S	*	*	S	Bend	trans	-76.8	-33.8	174.6	50.3	0	0	0	0	112.5
169	A	90.8	Very high	94.3	Very high	81 Å²	81	137.1 Å²	137.1	67%	0.669	63%	0.634	S	S	*	*			trans	-140.1	162.8	-179.8	0	0	0	0	0	110.9
170	K	85.9	Confident	94.2	Very high	224 Å²	224	139.1 Å²	139.1	97%	0.974	65%	0.646	S	S	*	*			trans	-119.1	0	178.8	-179	177.8	176.7	-177.7	0	110.8	Y155	Y155-K170 WeakPolarHBondContact OH-CD 2.98Å; Y155-K170 WeakPolarHBondContact OH-CE 3.31Å; Y155-K170 PolarHBondContact OH-NZ 3.44Å

Retrieved 170 of 170 residues in 102.6 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).