A0A077ZIA0_TRITR Loading...

Thioredoxin, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZIA0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 169 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.3	Very low	54.5	Low	246 Å²	246	163.5 Å²	163.5	100%	1.212	85%	0.854	S	S	*	*				0	117.4	0	-78.9	151.6	80.9	0	0	107.4
2	N	44.7	Very low	54	Low	157 Å²	157	163.9 Å²	163.9	84%	0.84	86%	0.856	S	S	*	*			trans	-70.7	141.1	-170.2	-73.3	-20.1	0	0	0	113.3
3	R	51.4	Low	54	Low	239 Å²	239	168.7 Å²	168.7	90%	0.902	86%	0.856	S	S	*	*			trans	-160.5	91.6	135	-96.7	-177.1	-145.3	-114.4	3.5	106.8
4	L	57.3	Low	54.1	Low	154 Å²	154	166.9 Å²	166.9	81%	0.806	85%	0.849	S	S	*	*				69.8	91.6	92.4	-75	170.6	0	0	0	113.4
5	Q	54.8	Low	54.5	Low	188 Å²	188	164.6 Å²	164.6	88%	0.879	85%	0.846	S	S	*	*			trans	-59.2	144.4	152.9	-68.4	168.2	-70.4	0	0	110.8
6	K	65.2	Low	54.2	Low	193 Å²	193	168.6 Å²	168.6	84%	0.839	85%	0.846	S	S	*	*			trans	-148	124.1	149.1	-78.2	-170.7	179.3	179.5	0	109.6
7	P	47.5	Very low	54.1	Low	121 Å²	121	164.2 Å²	164.2	79%	0.786	84%	0.836	S	S	*	*			trans	-96.3	148	159.3	34.1	-25.6	0	0	0	110.5
8	L	62.1	Low	54.3	Low	156 Å²	156	163.6 Å²	163.6	82%	0.817	83%	0.834	S	S	*	*			trans	-122.6	98.2	178.5	-106	153.5	0	0	0	110.2
9	N	60.2	Low	54.2	Low	136 Å²	136	165.3 Å²	165.3	73%	0.727	84%	0.835	S	S	*	*				45.1	106.6	129.4	-50.1	-9.8	0	0	0	120.1
10	A	52	Low	54.1	Low	101 Å²	101	163.3 Å²	163.3	84%	0.835	83%	0.832	S	S	*	*				29.9	118.8	121.2	0	0	0	0	0	119.8
11	S	57.4	Low	54.1	Low	108 Å²	108	163.8 Å²	163.8	76%	0.755	83%	0.831	S	S	*	*			trans	-151.5	95	143.5	-148.5	0	0	0	0	110.7
12	L	48.2	Very low	54.4	Low	168 Å²	168	159.1 Å²	159.1	88%	0.88	81%	0.81	S	S	*	*			trans	-77.1	116.1	162.8	-95.1	131.9	0	0	0	108.1
13	R	53.5	Low	54.9	Low	226 Å²	226	159.3 Å²	159.3	85%	0.853	81%	0.806	S	S	*	*			trans	-126.9	108.6	157.7	-76.4	-167.9	-168.1	-160.8	4	110
14	L	55.4	Low	55.2	Low	144 Å²	144	158.2 Å²	158.2	75%	0.754	80%	0.803	S	S	*	*			trans	-77.6	116.8	173.5	-157.6	154.7	0	0	0	107.6	R16	L14-R16 HydrophobicContact CD2-CG 4.45Å
15	V	60.3	Low	55.2	Low	132 Å²	132	155 Å²	155	80%	0.8	80%	0.798	S	S	*	*			trans	-131.9	93.7	164.6	-160.5	0	0	0	0	108.1
16	R	49.9	Very low	55.1	Low	228 Å²	228	152.2 Å²	152.2	86%	0.86	80%	0.797	S	S	*	*			trans	-80.4	121.8	159.5	-87.4	175.1	155.9	168.5	-5.9	107.1	L14	L14-R16 HydrophobicContact CD2-CG 4.45Å
17	S	52.4	Low	54.8	Low	95 Å²	95	151.3 Å²	151.3	66%	0.664	80%	0.8	S	S	*	*			trans	-164.5	123.8	159.9	-144.3	0	0	0	0	112.4
18	L	57.5	Low	55.3	Low	153 Å²	153	150.2 Å²	150.2	80%	0.801	80%	0.796	S	S	*	*			trans	71.4	101.5	149.6	-56.5	162.8	0	0	0	116.1
19	F	52.4	Low	54.6	Low	195 Å²	195	149.2 Å²	149.2	86%	0.855	80%	0.8	S	S	*	*				58.4	82.7	57.5	-134.4	-76	0	0	0	112.4
20	T	52.4	Low	54.2	Low	126 Å²	126	153.5 Å²	153.5	77%	0.773	81%	0.806	S	S	*	*			trans	-167.2	111.8	136.5	-0.9	0	0	0	0	111
21	Q	53.7	Low	53.9	Low	174 Å²	174	156.6 Å²	156.6	81%	0.813	81%	0.808	S	S	*	*			trans	-64.5	127.3	160.4	-76.7	171.1	-38.3	0	0	108.8
22	L	55.1	Low	53.7	Low	147 Å²	147	159.5 Å²	159.5	77%	0.77	81%	0.813	S	S	*	*			trans	-114.6	101.1	164.3	-115.9	145.1	0	0	0	107.6	Y24	L22-Y24 HydrophobicContact CD2-CD2 3.87Å; L22-Y24 HydrophobicContact CD2-CE2 3.83Å; L22-Y24 PolarHBondContact O-N 3.3Å
23	H	55.3	Low	53.9	Low	162 Å²	162	155.3 Å²	155.3	75%	0.75	80%	0.803	S	S	*	*			trans	-60.2	123.2	162.4	-78.2	-104.6	0	0	0	109
24	Y	56.7	Low	54.2	Low	216 Å²	216	150.6 Å²	150.6	85%	0.847	81%	0.805	S	S	*	*			trans	-132.7	123.1	154.4	-104.6	-90.2	0	0	0	110	L22	L22-Y24 HydrophobicContact CD2-CD2 3.87Å; L22-Y24 HydrophobicContact CD2-CE2 3.83Å; L22-Y24 PolarHBondContact O-N 3.3Å
25	A	58.1	Low	54.1	Low	86 Å²	86	147.1 Å²	147.1	71%	0.711	80%	0.804	S	S	*	*			trans	-71.1	159.8	-172.6	0	0	0	0	0	113.1
26	P	53.3	Low	53.9	Low	129 Å²	129	152.5 Å²	152.5	84%	0.838	81%	0.81	S	S	*	*			trans	-79.2	130.4	-179.6	32.1	-31.7	0	0	0	111.1	S28	P26-S28 PolarHBondContact O-N 3.33Å
27	L	58.2	Low	53.6	Low	174 Å²	174	151.5 Å²	151.5	91%	0.911	81%	0.812	S	S	*	*			trans	-78.6	114.7	168.8	-85.5	154.9	0	0	0	109.8	C29	L27-C29 PolarHBondContact O-N 3Å
28	S	57.3	Low	53.2	Low	99 Å²	99	153.1 Å²	153.1	69%	0.692	82%	0.822	S	S	*	*			trans	-52.8	124.1	167	137.3	0	0	0	0	111.3	P26	P26-S28 PolarHBondContact O-N 3.33Å
29	C	46.9	Very low	52.8	Low	134 Å²	134	156.5 Å²	156.5	91%	0.905	82%	0.824	S	S	*	*			trans	-107.9	113.9	162.2	-155.8	0	0	0	0	109.3	L27	L27-C29 PolarHBondContact O-N 3Å
30	R	52.9	Low	52.1	Low	227 Å²	227	153.3 Å²	153.3	86%	0.857	82%	0.821	S	S	*	*			trans	-78.5	138.3	-178	-78.9	-179.4	169.4	-152.3	-1.6	111.9
31	L	45	Very low	52.4	Low	166 Å²	166	152.6 Å²	152.6	87%	0.869	82%	0.821	S	S	*	*			trans	-31.2	132	156.6	-117.5	69.6	0	0	0	115.3
32	L	52.7	Low	52.4	Low	168 Å²	168	150.9 Å²	150.9	88%	0.88	82%	0.822	S	S	*	*			trans	-151	101.1	142.2	-86	171.5	0	0	0	106
33	A	52.3	Low	52.6	Low	81 Å²	81	150.1 Å²	150.1	67%	0.669	82%	0.824	S	S	*	*				60.8	106.3	88.5	0	0	0	0	0	113.2
34	S	61.6	Low	52.3	Low	126 Å²	126	148.2 Å²	148.2	88%	0.881	83%	0.829	S	S	*	*				136.2	130.4	126.2	66.4	0	0	0	0	113.9
35	G	52.5	Low	52.1	Low	72 Å²	72	141.5 Å²	141.5	74%	0.742	83%	0.825	S	S	*	*			trans	119.1	101.3	138.5	0	0	0	0	0	118.2
36	R	55.6	Low	51.9	Low	244 Å²	244	141.9 Å²	141.9	92%	0.921	83%	0.828	S	S	*	*			trans	86	83.7	138.5	-58.8	-178	-171.5	-150.4	1.1	118.6	C38	R36-C38 PolarHBondContact O-N 3.34Å
37	F	43.5	Very low	52.2	Low	207 Å²	207	144.8 Å²	144.8	91%	0.908	83%	0.83	S	S	*	*			trans	-23.2	115.5	131.3	-135	-105.9	0	0	0	113.2
38	C	45.1	Very low	51.8	Low	129 Å²	129	146.1 Å²	146.1	87%	0.872	83%	0.832	S	S	*	*			trans	-109.1	127.8	165.7	-151.6	0	0	0	0	109.6	R36	R36-C38 PolarHBondContact O-N 3.34Å
39	R	48.7	Very low	51.4	Low	225 Å²	225	152.3 Å²	152.3	85%	0.849	84%	0.84	S	S	*	*			trans	-71.3	145.4	-171.7	-82	173.8	162.9	-145.8	-2.8	112.1
40	T	38.3	Very low	51.5	Low	127 Å²	127	155.6 Å²	155.6	78%	0.779	84%	0.839	S	S	*	*			trans	-32.9	140.2	159.5	52.9	0	0	0	0	116.2
41	S	57	Low	51.5	Low	112 Å²	112	153.3 Å²	153.3	78%	0.783	84%	0.841	S	S	*	*				-152.6	109.8	125.2	51.4	0	0	0	0	109.9
42	V	55.5	Low	52.2	Low	138 Å²	138	155.2 Å²	155.2	84%	0.836	84%	0.836	S	S	*	*			trans	-75.4	119.1	168.6	171.9	0	0	0	0	106.9
43	T	58.1	Low	52	Low	130 Å²	130	153 Å²	153	80%	0.798	83%	0.832	S	S	*	*			trans	-116	110.8	161.6	53	0	0	0	0	108.5	G45	T43-G45 PolarHBondContact O-N 2.88Å
44	S	48.1	Very low	51.9	Low	123 Å²	123	156.1 Å²	156.1	86%	0.86	84%	0.836	S	S	*	*			trans	-55	124.1	172.3	-175	0	0	0	0	110.6
45	G	53.2	Low	51.3	Low	74 Å²	74	155.5 Å²	155.5	76%	0.763	83%	0.831	S	S	*	*			trans	-143.9	84.4	175.5	0	0	0	0	0	108.6	T43 Q47	T43-G45 PolarHBondContact O-N 2.88Å; G45-Q47 PolarHBondContact O-N 3.1Å
46	A	54.1	Low	51.3	Low	94 Å²	94	157.8 Å²	157.8	78%	0.777	83%	0.831	S	S	*	*			trans	-61.5	121.1	173.6	0	0	0	0	0	110.3
47	Q	59.4	Low	51.5	Low	190 Å²	190	153.8 Å²	153.8	89%	0.888	83%	0.828	S	S	*	*			trans	-155.4	103.2	153	-113.4	165.6	-12.2	0	0	109.4	G45 R49	G45-Q47 PolarHBondContact O-N 3.1Å; Q47-R49 PolarHBondContact O-N 2.91Å
48	Q	49.1	Very low	52.4	Low	202 Å²	202	149 Å²	149	94%	0.944	80%	0.804	S	S	*	*			trans	-56.8	103.8	171.9	-75.7	164.1	-53.1	0	0	109.2
49	R	49	Very low	53.1	Low	230 Å²	230	148.6 Å²	148.6	87%	0.868	80%	0.799	S	S	*	*			trans	-94.7	105.6	156.4	-86	-175.5	175.1	157.6	-0.3	107.8	Q47 M51	Q47-R49 PolarHBondContact O-N 2.91Å; R49-M51 VanDerWaalsContact C-N 3.3Å; R49-M51 PolarHBondContact O-N 2.94Å
50	F	49.7	Very low	54	Low	202 Å²	202	142 Å²	142	89%	0.886	78%	0.784	S	S	*	*			trans	-46.7	90.8	164	-144.9	-97.8	0	0	0	108.9	R52	F50-R52 PolarHBondContact O-N 3.29Å
51	M	53.6	Low	56.4	Low	179 Å²	179	136.6 Å²	136.6	88%	0.882	75%	0.752	S	S	*	*			trans	-76.1	109.5	175.4	-76	-171	92.8	0	0	107.5	R49	R49-M51 VanDerWaalsContact C-N 3.3Å; R49-M51 PolarHBondContact O-N 2.94Å
52	R	58.4	Low	58.3	Low	207 Å²	207	132.2 Å²	132.2	78%	0.781	72%	0.721	S	S	*	*			trans	-55	133.3	167	-72.6	176.1	163.4	-179.8	-6.4	108.8	F50 L54	F50-R52 PolarHBondContact O-N 3.29Å; R52-L54 PolarHBondContact O-N 2.88Å
53	P	49.1	Very low	60.3	Low	120 Å²	120	127.1 Å²	127.1	78%	0.779	69%	0.687	S	S	*	*			trans	-70.6	105.2	165.6	28.8	-27.3	0	0	0	107.1	C55	P53-C55 PolarHBondContact O-N 3.49Å; P53-C55 VanDerWaalsContact O-N 3.16Å
54	L	49.6	Very low	62.2	Low	147 Å²	147	123.1 Å²	123.1	77%	0.77	67%	0.665	S	S	*	*			trans	-83.6	70.5	165.8	-69.4	176.3	0	0	0	107.9	R52	R52-L54 PolarHBondContact O-N 2.88Å
55	C	49.7	Very low	64.6	Low	114 Å²	114	117.5 Å²	117.5	77%	0.77	63%	0.625	S	S	*	*			trans	-108.8	74	156.3	-60.2	0	0	0	0	105.1	P53 D57	P53-C55 PolarHBondContact O-N 3.49Å; P53-C55 VanDerWaalsContact O-N 3.16Å; C55-D57 PolarHBondContact O-N 3.41Å
56	T	52.5	Low	66.7	Low	120 Å²	120	120 Å²	120	74%	0.736	62%	0.617	S	S	*	*			trans	-74.6	108.8	162.7	-27.9	0	0	0	0	104.6	R58	T56-R58 PolarHBondContact O-N 2.99Å
57	D	60.7	Low	68.7	Low	160 Å²	160	119.4 Å²	119.4	86%	0.856	60%	0.601	S	S	*	*			trans	-57.1	90.2	167.8	-88	-43.4	0	0	0	107.8	C55	C55-D57 PolarHBondContact O-N 3.41Å
58	R	60.6	Low	70.5	Confident	107 Å²	107	114.2 Å²	114.2	40%	0.404	57%	0.574	S	S	.	*			trans	-76.4	124.6	168.8	-165.2	-179.5	-167.3	170.8	8.8	105.5	T56 T60 D106 N107	T56-R58 PolarHBondContact O-N 2.99Å; R58-T60 PolarHBondContact O-N 2.91Å; R58-D106 PolarHBondContact NH2-O 2.74Å; R58-N107 PolarHBondContact NH1-OD1 3.28Å
59	P	61.5	Low	72.9	Confident	119 Å²	119	110.2 Å²	110.2	77%	0.773	56%	0.555	S	S	*	*			trans	-57.1	114.5	171.7	22.3	-29.9	0	0	0	107.7	S61	P59-S61 PolarHBondContact O-N 2.85Å
60	T	67.6	Low	75.2	Confident	88 Å²	88	100.6 Å²	100.6	54%	0.54	52%	0.521	S	S	.	.			trans	-69.8	126.8	-176.4	-47.2	0	0	0	0	108.6	R58 S62	R58-T60 PolarHBondContact O-N 2.91Å; T60-S62 VanDerWaalsContact CG2-OG 3.24Å; T60-S62 WeakPolarHBondContact CG2-OG 3.45Å; T60-S62 PolarHBondContact O-N 3.04Å
61	S	88.1	Confident	77.6	Confident	13 Å²	13	91 Å²	91	9%	0.091	48%	0.479	C	S	.	.	S	Bend	trans	-74.2	0.9	178.2	64.9	0	0	0	0	113.2	P59 D106 L114	P59-S61 PolarHBondContact O-N 2.85Å; S61-D106 WeakPolarHBondContact CB-OD1 3.32Å; S61-D106 PolarHBondContact N-OD1 2.85Å; S61-D106 VanDerWaalsContact N-OD1 3.07Å; S61-D106 PolarHBondContact OG-OD1 3.19Å; S61-L114 PolarHBondContact O-N 3.48Å
62	S	96.4	Very high	79.7	Confident	20 Å²	20	86.5 Å²	86.5	14%	0.14	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	144.9	-173.6	84.4	0	0	0	0	113.4	T60 E102 L114	T60-S62 VanDerWaalsContact CG2-OG 3.24Å; T60-S62 WeakPolarHBondContact CG2-OG 3.45Å; T60-S62 PolarHBondContact O-N 3.04Å; S62-E102 WeakPolarHBondContact CB-OE1 3.25Å; S62-E102 PolarHBondContact OG-OE1 2.82Å; S62-L114 CarbonylContact C-O 3.56Å; S62-L114 WeakPolarHBondContact CA-O 3.34Å
63	F	97.7	Very high	81.6	Confident	30 Å²	30	83.3 Å²	83.3	13%	0.132	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	159.4	175.8	55.5	-97	0	0	0	112.9	I65 R74 V82 L113 L114 A115 R116	F63-I65 HydrophobicContact CD2-CD1 4Å; F63-I65 HydrophobicContact CE2-CD1 3.64Å; F63-R74 HydrophobicContact CE2-CB 4.01Å; F63-R74 HydrophobicContact CZ-CB 4.19Å; F63-V82 HydrophobicContact CZ-CG1 4.28Å; F63-L113 HydrophobicContact CE1-CB 3.94Å; F63-L113 HydrophobicContact CE1-CD1 4.14Å; F63-L113 HydrophobicContact CE1-CD2 4.47Å; F63-L113 HydrophobicContact CE1-CG 4.41Å; F63-L114 PolarHBondContact N-O 3.38Å; F63-A115 HydrophobicContact CD2-CB 4.13Å; F63-A115 HydrophobicContact CE2-CB 3.54Å; F63-A115 HydrophobicContact CZ-CB 3.87Å; F63-A115 CarbonylContact O-C 3.58Å; F63-R116 PolarHBondContact O-N 3.49Å
64	S	98.1	Very high	83.9	Confident	47 Å²	47	81.5 Å²	81.5	33%	0.329	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	136.2	175.7	-161.9	0	0	0	0	110.8	R74 R116	S64-R74 PolarHBondContact O-NH1 2.94Å; S64-R116 WeakPolarHBondContact CA-O 3.45Å
65	I	98.5	Very high	86.2	Confident	4 Å²	4	74.7 Å²	74.7	2%	0.021	39%	0.39	C	S	.	.			trans	-81.8	135	169.1	-60	-57.9	0	0	0	109.1	F63 D70 F71 V75 A115 R116 L117 L125	F63-I65 HydrophobicContact CD2-CD1 4Å; F63-I65 HydrophobicContact CE2-CD1 3.64Å; I65-D70 VanDerWaalsContact CA-OD2 3.28Å; I65-D70 WeakPolarHBondContact CA-OD2 3.39Å; I65-F71 HydrophobicContact CG1-CD2 4.38Å; I65-F71 HydrophobicContact CG2-CB 3.84Å; I65-F71 HydrophobicContact CG2-CD2 4.3Å; I65-V75 HydrophobicContact CD1-CG2 3.95Å; I65-A115 HydrophobicContact CD1-CB 4.08Å; I65-A115 HydrophobicContact CG1-CB 4.04Å; I65-R116 PolarHBondContact N-O 3.3Å; I65-L117 HydrophobicContact CB-CB 4.38Å; I65-L117 HydrophobicContact CB-CG 4.42Å; I65-L117 HydrophobicContact CG1-CB 4.47Å; I65-L117 HydrophobicContact CG2-CD1 4.4Å; I65-L125 HydrophobicContact CG2-CD1 4.28Å
66	Q	97.2	Very high	88.5	Confident	126 Å²	126	70.9 Å²	70.9	59%	0.589	36%	0.362	S	S	*	.			trans	-100.3	-42.7	179.8	-58.2	-54.8	-67.5	0	0	113.5	D70	Q66-D70 HydrophobicContact CB-CB 4.47Å; Q66-D70 PolarHBondContact N-OD2 3.19Å
67	D	97.2	Very high	90.7	Very high	83 Å²	83	70.3 Å²	70.3	44%	0.444	36%	0.355	S	S	.	.	S	Bend	trans	-155.8	-175.2	-176.3	60.9	43	0	0	0	111.1	E69 D70 F71	D67-E69 PolarHBondContact OD1-N 3.38Å; D67-D70 PolarHBondContact OD1-N 3.48Å; D67-F71 WeakPolarHBondContact O-CB 3.45Å; D67-F71 PolarHBondContact O-N 2.68Å
68	Y	97.2	Very high	92.4	Very high	81 Å²	81	63.7 Å²	63.7	32%	0.318	32%	0.321	S	S	.	.	H	α-helix	trans	-63.2	-38.2	179.7	-178.3	-92.7	0	0	0	113.8	F71 K72 L125	Y68-F71 PolarHBondContact O-N 3.14Å; Y68-K72 HydrophobicContact CE1-CD 4.21Å; Y68-K72 VanDerWaalsContact O-CB 3.32Å; Y68-K72 WeakPolarHBondContact O-CB 3.4Å; Y68-K72 PolarHBondContact O-N 3.48Å; Y68-L125 HydrophobicContact CD2-CD2 3.64Å; Y68-L125 HydrophobicContact CD2-CG 4.4Å; Y68-L125 HydrophobicContact CE2-CD2 4.17Å
69	E	98	Very high	94.1	Very high	117 Å²	117	66.5 Å²	66.5	55%	0.547	34%	0.344	S	S	.	.	H	α-helix	trans	-71.5	-40.5	-178.4	-65	-59.9	149.8	0	0	110.4	D67 F71 K72 E73	D67-E69 PolarHBondContact OD1-N 3.38Å; E69-F71 VanDerWaalsContact C-N 3.34Å; E69-F71 PolarHBondContact O-N 3.18Å; E69-K72 PolarHBondContact O-N 3.4Å; E69-E73 WeakPolarHBondContact O-CB 3.42Å; E69-E73 PolarHBondContact O-N 3.33Å
70	D	98.4	Very high	95.7	Very high	28 Å²	28	64.7 Å²	64.7	15%	0.15	32%	0.322	C	S	.	.	H	α-helix	trans	-61.1	-42.4	172.6	-173.6	47.2	0	0	0	111.4	I65 Q66 D67 R74	I65-D70 VanDerWaalsContact CA-OD2 3.28Å; I65-D70 WeakPolarHBondContact CA-OD2 3.39Å; Q66-D70 HydrophobicContact CB-CB 4.47Å; Q66-D70 PolarHBondContact N-OD2 3.19Å; D67-D70 PolarHBondContact OD1-N 3.48Å; D70-R74 WeakPolarHBondContact O-CB 3.49Å; D70-R74 PolarHBondContact O-N 3.05Å; D70-R74 WeakPolarHBondContact OD1-CD 3.41Å; D70-R74 IonicContact OD1-CZ 3.15Å; D70-R74 IonicContact OD1-NE 2.9Å; D70-R74 IonicContact OD1-NH1 3.7Å; D70-R74 PolarHBondContact OD1-NH1 2.87Å; D70-R74 IonicContact OD2-NH1 3.93Å; D70-R74 PolarHBondContact OD2-NH1 2.83Å; D70-R74 VanDerWaalsContact OD2-NH1 3.15Å
71	F	98.6	Very high	97.2	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.2	-48.1	174	-178.6	-92.2	0	0	0	111.9	I65 D67 Y68 E69 E73 R74 V75 L76 V84 L117 L125 Y129 F140	I65-F71 HydrophobicContact CG1-CD2 4.38Å; I65-F71 HydrophobicContact CG2-CB 3.84Å; I65-F71 HydrophobicContact CG2-CD2 4.3Å; D67-F71 WeakPolarHBondContact O-CB 3.45Å; D67-F71 PolarHBondContact O-N 2.68Å; Y68-F71 PolarHBondContact O-N 3.14Å; E69-F71 VanDerWaalsContact C-N 3.34Å; E69-F71 PolarHBondContact O-N 3.18Å; F71-E73 PolarHBondContact O-N 3.33Å; F71-R74 PolarHBondContact O-N 3.36Å; F71-V75 HydrophobicContact CD2-CB 4.1Å; F71-V75 HydrophobicContact CD2-CG2 3.68Å; F71-V75 HydrophobicContact CE1-CB 4.35Å; F71-V75 HydrophobicContact CE1-CG1 4.44Å; F71-V75 HydrophobicContact CE2-CB 3.92Å; F71-V75 HydrophobicContact CE2-CG1 3.89Å; F71-V75 HydrophobicContact CE2-CG2 3.76Å; F71-V75 HydrophobicContact CG-CB 4.41Å; F71-V75 HydrophobicContact CG-CG2 4.27Å; F71-V75 HydrophobicContact CZ-CB 4.05Å; F71-V75 HydrophobicContact CZ-CG1 3.81Å; F71-V75 HydrophobicContact CZ-CG2 4.4Å; F71-V75 WeakPolarHBondContact O-CA 3.41Å; F71-V75 WeakPolarHBondContact O-CB 3.39Å; F71-V75 PolarHBondContact O-N 2.76Å; F71-L76 HydrophobicContact CD1-CD1 4.24Å; F71-L76 HydrophobicContact CD1-CG 4.11Å; F71-L76 HydrophobicContact CE1-CD1 4.02Å; F71-L76 HydrophobicContact CE1-CD2 3.83Å; F71-L76 HydrophobicContact CE1-CG 3.72Å; F71-L76 HydrophobicContact CZ-CD2 4.43Å; F71-L76 PolarHBondContact O-N 3.49Å; F71-V84 HydrophobicContact CE2-CG1 4.17Å; F71-V84 HydrophobicContact CE2-CG2 4.09Å; F71-L117 HydrophobicContact CD2-CD1 4.04Å; F71-L117 HydrophobicContact CE2-CD1 4.24Å; F71-L125 HydrophobicContact CB-CD1 3.67Å; F71-L125 HydrophobicContact CB-CD2 4.28Å; F71-L125 HydrophobicContact CD1-CD1 4.49Å; F71-L125 HydrophobicContact CD1-CD2 3.71Å; F71-L125 HydrophobicContact CD2-CD1 4.07Å; F71-L125 HydrophobicContact CD2-CD2 4.44Å; F71-L125 HydrophobicContact CE1-CD2 4.17Å; F71-L125 HydrophobicContact CG-CD1 3.82Å; F71-L125 HydrophobicContact CG-CD2 3.88Å; F71-Y129 HydrophobicContact CD1-CE2 4.4Å; F71-Y129 AromaticContact CE1-CE2 3.47Å; F71-Y129 HydrophobicContact CE1-CE2 3.47Å; F71-Y129 VanDerWaalsContact CE1-CE2 3.47Å; F71-Y129 AromaticContact CE1-CZ 3.67Å; F71-Y129 VanDerWaalsContact CE1-OH 3.31Å; F71-Y129 WeakPolarHBondContact CE1-OH 3.17Å; F71-Y129 HydrophobicContact CE2-CE2 4.5Å; F71-Y129 HydrophobicContact CZ-CD2 4.28Å; F71-Y129 AromaticContact CZ-CE2 3.52Å; F71-Y129 HydrophobicContact CZ-CE2 3.52Å; F71-Y129 AromaticContact CZ-CZ 3.82Å; F71-F140 HydrophobicContact CZ-CE1 4.27Å; F71-F140 HydrophobicContact CZ-CE2 4.27Å; F71-F140 AromaticContact CZ-CZ 3.84Å; F71-F140 HydrophobicContact CZ-CZ 3.84Å
72	K	98.1	Very high	97.7	Very high	85 Å²	85	61.1 Å²	61.1	37%	0.37	30%	0.299	S	S	.	.	I	π-helix	trans	-61.8	-45.5	180	178.2	-178.1	171.2	-167.5	0	111.9	Y68 E69 L76 N77	Y68-K72 HydrophobicContact CE1-CD 4.21Å; Y68-K72 VanDerWaalsContact O-CB 3.32Å; Y68-K72 WeakPolarHBondContact O-CB 3.4Å; Y68-K72 PolarHBondContact O-N 3.48Å; E69-K72 PolarHBondContact O-N 3.4Å; K72-L76 HydrophobicContact CB-CD1 4.42Å; K72-L76 HydrophobicContact CG-CD1 4.41Å; K72-L76 WeakPolarHBondContact O-CB 3.47Å; K72-L76 PolarHBondContact O-N 3.05Å; K72-N77 PolarHBondContact O-N 3.4Å; K72-N77 PolarHBondContact O-ND2 2.74Å
73	E	98.1	Very high	97.8	Very high	141 Å²	141	60.1 Å²	60.1	66%	0.659	29%	0.293	S	S	*	.	I	π-helix	trans	-65.3	-44.7	-179.8	-174.7	175.2	177.9	0	0	111.9	E69 F71	E69-E73 WeakPolarHBondContact O-CB 3.42Å; E69-E73 PolarHBondContact O-N 3.33Å; F71-E73 PolarHBondContact O-N 3.33Å
74	R	98.1	Very high	97.8	Very high	82 Å²	82	58.7 Å²	58.7	31%	0.309	29%	0.286	S	S	.	.	I	π-helix	trans	-102.6	-11.3	-167	-60.8	164.7	70.3	-171.2	9	115	F63 S64 D70 F71 S78	F63-R74 HydrophobicContact CE2-CB 4.01Å; F63-R74 HydrophobicContact CZ-CB 4.19Å; S64-R74 PolarHBondContact O-NH1 2.94Å; D70-R74 WeakPolarHBondContact O-CB 3.49Å; D70-R74 PolarHBondContact O-N 3.05Å; D70-R74 WeakPolarHBondContact OD1-CD 3.41Å; D70-R74 IonicContact OD1-CZ 3.15Å; D70-R74 IonicContact OD1-NE 2.9Å; D70-R74 IonicContact OD1-NH1 3.7Å; D70-R74 PolarHBondContact OD1-NH1 2.87Å; D70-R74 IonicContact OD2-NH1 3.93Å; D70-R74 PolarHBondContact OD2-NH1 2.83Å; D70-R74 VanDerWaalsContact OD2-NH1 3.15Å; F71-R74 PolarHBondContact O-N 3.36Å; R74-S78 WeakPolarHBondContact O-CB 3.31Å
75	V	98.5	Very high	97.8	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.018	27%	0.272	C	S	.	.	I	π-helix	trans	-113.4	-57.5	176	-174.4	0	0	0	0	110.1	I65 F71 S78 V82 V84 A115 F140	I65-V75 HydrophobicContact CD1-CG2 3.95Å; F71-V75 HydrophobicContact CD2-CB 4.1Å; F71-V75 HydrophobicContact CD2-CG2 3.68Å; F71-V75 HydrophobicContact CE1-CB 4.35Å; F71-V75 HydrophobicContact CE1-CG1 4.44Å; F71-V75 HydrophobicContact CE2-CB 3.92Å; F71-V75 HydrophobicContact CE2-CG1 3.89Å; F71-V75 HydrophobicContact CE2-CG2 3.76Å; F71-V75 HydrophobicContact CG-CB 4.41Å; F71-V75 HydrophobicContact CG-CG2 4.27Å; F71-V75 HydrophobicContact CZ-CB 4.05Å; F71-V75 HydrophobicContact CZ-CG1 3.81Å; F71-V75 HydrophobicContact CZ-CG2 4.4Å; F71-V75 WeakPolarHBondContact O-CA 3.41Å; F71-V75 WeakPolarHBondContact O-CB 3.39Å; F71-V75 PolarHBondContact O-N 2.76Å; V75-S78 WeakPolarHBondContact O-CB 3.36Å; V75-S78 PolarHBondContact O-N 2.81Å; V75-V82 HydrophobicContact CG1-CB 4.25Å; V75-V82 HydrophobicContact CG1-CG1 4.32Å; V75-V82 HydrophobicContact CG2-CG1 4.25Å; V75-V84 HydrophobicContact CB-CG2 4.47Å; V75-V84 HydrophobicContact CG1-CG2 3.57Å; V75-V84 HydrophobicContact CG2-CG2 4.04Å; V75-A115 HydrophobicContact CG2-CB 4.15Å; V75-F140 HydrophobicContact CG1-CB 3.97Å; V75-F140 HydrophobicContact CG1-CD1 4.07Å; V75-F140 HydrophobicContact CG1-CD2 3.72Å; V75-F140 HydrophobicContact CG1-CE1 4.49Å; V75-F140 HydrophobicContact CG1-CE2 4.17Å; V75-F140 HydrophobicContact CG1-CG 3.65Å
76	L	98.2	Very high	97.9	Very high	35 Å²	35	56.6 Å²	56.6	18%	0.183	27%	0.271	C	S	.	.	I	π-helix	trans	-73.5	-36.3	-173.1	-59.7	-178.1	0	0	0	113.1	F71 K72 F140 G143	F71-L76 HydrophobicContact CD1-CD1 4.24Å; F71-L76 HydrophobicContact CD1-CG 4.11Å; F71-L76 HydrophobicContact CE1-CD1 4.02Å; F71-L76 HydrophobicContact CE1-CD2 3.83Å; F71-L76 HydrophobicContact CE1-CG 3.72Å; F71-L76 HydrophobicContact CZ-CD2 4.43Å; F71-L76 PolarHBondContact O-N 3.49Å; K72-L76 HydrophobicContact CB-CD1 4.42Å; K72-L76 HydrophobicContact CG-CD1 4.41Å; K72-L76 WeakPolarHBondContact O-CB 3.47Å; K72-L76 PolarHBondContact O-N 3.05Å; L76-F140 HydrophobicContact CD2-CD1 4.1Å; L76-F140 HydrophobicContact CD2-CE1 3.99Å; L76-G143 WeakPolarHBondContact O-CA 3.49Å
77	N	97.9	Very high	97.9	Very high	108 Å²	108	52 Å²	52	58%	0.578	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.4	16.3	178	-59.5	-35	0	0	0	112.8	K72	K72-N77 PolarHBondContact O-N 3.4Å; K72-N77 PolarHBondContact O-ND2 2.74Å
78	S	97.2	Very high	98	Very high	20 Å²	20	48.2 Å²	48.2	14%	0.14	23%	0.23	C	C	.	.			trans	-70.3	130.5	179.7	180	0	0	0	0	110.8	R74 V75 R80 V82	R74-S78 WeakPolarHBondContact O-CB 3.31Å; V75-S78 WeakPolarHBondContact O-CB 3.36Å; V75-S78 PolarHBondContact O-N 2.81Å; S78-R80 WeakPolarHBondContact CB-O 3.27Å; S78-R80 PolarHBondContact O-N 2.91Å; S78-R80 PolarHBondContact OG-N 2.88Å; S78-R80 VanDerWaalsContact OG-N 3.14Å; S78-R80 PolarHBondContact OG-O 3.15Å; S78-V82 WeakPolarHBondContact OG-CG2 3.3Å
79	D	95.5	Very high	98	Very high	166 Å²	166	49.9 Å²	49.9	89%	0.888	24%	0.244	S	C	*	.	S	Bend	trans	-68.8	-6.4	170.5	-63.2	-40.7	0	0	0	112.8
80	R	95.7	Very high	98	Very high	82 Å²	82	52.4 Å²	52.4	31%	0.309	25%	0.249	S	C	.	.	S	Bend	trans	-127.2	148.5	-175.8	-68	178.8	51.7	-150.3	-24.3	111.4	S78 V82 G110 D111 V112 L113	S78-R80 WeakPolarHBondContact CB-O 3.27Å; S78-R80 PolarHBondContact O-N 2.91Å; S78-R80 PolarHBondContact OG-N 2.88Å; S78-R80 VanDerWaalsContact OG-N 3.14Å; S78-R80 PolarHBondContact OG-O 3.15Å; R80-V82 VanDerWaalsContact O-CG2 3.27Å; R80-V82 WeakPolarHBondContact O-CG2 3.24Å; R80-V82 PolarHBondContact O-N 2.9Å; R80-G110 PolarHBondContact NE-O 3.25Å; R80-G110 PolarHBondContact NH1-O 2.95Å; R80-G110 PolarHBondContact NH2-O 3.02Å; R80-D111 PolarHBondContact NE-O 2.8Å; R80-D111 PolarHBondContact NH2-O 2.8Å; R80-V112 PolarHBondContact NH2-O 3.38Å; R80-V112 VanDerWaalsContact NH2-O 3.11Å; R80-L113 HydrophobicContact CB-CD1 4.24Å; R80-L113 HydrophobicContact CB-CG 4.46Å; R80-L113 VanDerWaalsContact NH2-CD2 3.33Å
81	P	97.7	Very high	98	Very high	24 Å²	24	51.3 Å²	51.3	16%	0.156	24%	0.243	C	C	.	.			trans	-57.2	136.9	173.4	-22	31.7	0	0	0	112.1	V112 L113 F140 L165	P81-V112 HydrophobicContact CB-CG2 4.45Å; P81-L113 PolarHBondContact O-N 2.87Å; P81-F140 CarbonylContact C-O 3.51Å; P81-F140 VanDerWaalsContact CA-O 3.3Å; P81-F140 WeakPolarHBondContact CA-O 3.48Å; P81-L165 HydrophobicContact CB-CB 4.14Å; P81-L165 HydrophobicContact CB-CD2 4.25Å; P81-L165 VanDerWaalsContact CB-O 3.27Å; P81-L165 WeakPolarHBondContact CB-O 3.2Å; P81-L165 WeakPolarHBondContact CG-O 3.3Å
82	V	98.5	Very high	98	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	121.3	-176.4	-169.7	0	0	0	0	110.9	F63 V75 S78 R80 V84 L113 A115 F140	F63-V82 HydrophobicContact CZ-CG1 4.28Å; V75-V82 HydrophobicContact CG1-CB 4.25Å; V75-V82 HydrophobicContact CG1-CG1 4.32Å; V75-V82 HydrophobicContact CG2-CG1 4.25Å; S78-V82 WeakPolarHBondContact OG-CG2 3.3Å; R80-V82 VanDerWaalsContact O-CG2 3.27Å; R80-V82 WeakPolarHBondContact O-CG2 3.24Å; R80-V82 PolarHBondContact O-N 2.9Å; V82-V84 HydrophobicContact CG1-CG2 4.19Å; V82-L113 HydrophobicContact CG1-CB 4.25Å; V82-L113 HydrophobicContact CG2-CB 4.22Å; V82-L113 HydrophobicContact CG2-CD1 4.37Å; V82-A115 HydrophobicContact CG1-CB 3.76Å; V82-F140 PolarHBondContact N-O 3Å; V82-F140 PolarHBondContact O-N 3.21Å
83	A	98.6	Very high	98	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	116.4	166	0	0	0	0	0	109.3	V112 L113 L114 A115 V137 F161 L165	A83-V112 HydrophobicContact CB-CG1 4.47Å; A83-L113 PolarHBondContact N-O 2.95Å; A83-L114 HydrophobicContact CB-CD1 4.26Å; A83-L114 CarbonylContact O-C 3.57Å; A83-L114 WeakPolarHBondContact O-CA 3.05Å; A83-L114 WeakPolarHBondContact O-CD1 3.37Å; A83-A115 PolarHBondContact O-N 3.18Å; A83-V137 HydrophobicContact CB-CG1 4.26Å; A83-F161 HydrophobicContact CB-CE1 3.79Å; A83-F161 HydrophobicContact CB-CZ 4.33Å; A83-L165 HydrophobicContact CB-CD1 4.11Å
84	V	98.8	Very high	98	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	109.9	177.2	-177.4	0	0	0	0	109.8	F71 V75 V82 F86 A115 L117 V137 L138 F140	F71-V84 HydrophobicContact CE2-CG1 4.17Å; F71-V84 HydrophobicContact CE2-CG2 4.09Å; V75-V84 HydrophobicContact CB-CG2 4.47Å; V75-V84 HydrophobicContact CG1-CG2 3.57Å; V75-V84 HydrophobicContact CG2-CG2 4.04Å; V82-V84 HydrophobicContact CG1-CG2 4.19Å; V84-F86 HydrophobicContact CB-CE2 4.23Å; V84-F86 HydrophobicContact CG1-CD2 4.18Å; V84-F86 HydrophobicContact CG1-CE2 3.66Å; V84-F86 HydrophobicContact CG1-CZ 3.98Å; V84-A115 CarbonylContact C-O 3.59Å; V84-A115 WeakPolarHBondContact CA-O 3.46Å; V84-A115 HydrophobicContact CB-CB 4.47Å; V84-A115 HydrophobicContact CG2-CB 4.02Å; V84-L117 HydrophobicContact CG1-CB 4.12Å; V84-L117 HydrophobicContact CG1-CD1 4.29Å; V84-V137 CarbonylContact O-C 3.47Å; V84-V137 VanDerWaalsContact O-CA 3.26Å; V84-V137 WeakPolarHBondContact O-CA 3.45Å; V84-L138 PolarHBondContact N-O 2.99Å; V84-L138 PolarHBondContact O-N 3.38Å; V84-F140 HydrophobicContact CB-CD2 4.21Å; V84-F140 HydrophobicContact CB-CE2 3.95Å; V84-F140 HydrophobicContact CG2-CD2 3.47Å; V84-F140 VanDerWaalsContact CG2-CD2 3.47Å; V84-F140 HydrophobicContact CG2-CE2 3.51Å
85	Q	98.7	Very high	98	Very high	6 Å²	6	49.2 Å²	49.2	3%	0.028	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	112.1	174	-177	-176.8	26.5	0	0	110.9	H87 L101 L114 A115 L117 V137	Q85-H87 HydrophobicContact CG-CB 4.46Å; Q85-L101 HydrophobicContact CB-CD2 4.07Å; Q85-L101 HydrophobicContact CG-CD2 4.38Å; Q85-L114 HydrophobicContact CB-CD1 4.23Å; Q85-A115 PolarHBondContact N-O 2.79Å; Q85-L117 PolarHBondContact O-N 2.7Å; Q85-V137 HydrophobicContact CB-CG2 4.46Å; Q85-V137 HydrophobicContact CG-CG2 4.36Å
86	F	98.8	Very high	98	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	118.1	167.6	-63.4	-98.9	0	0	0	109.4	V84 L117 V119 A126 Y129 V131 I134 P135 T136 L138	V84-F86 HydrophobicContact CB-CE2 4.23Å; V84-F86 HydrophobicContact CG1-CD2 4.18Å; V84-F86 HydrophobicContact CG1-CE2 3.66Å; V84-F86 HydrophobicContact CG1-CZ 3.98Å; F86-L117 WeakPolarHBondContact CA-O 3.42Å; F86-L117 HydrophobicContact CD1-CD1 4.28Å; F86-L117 HydrophobicContact CD1-CD2 3.61Å; F86-L117 HydrophobicContact CD1-CG 4.36Å; F86-L117 HydrophobicContact CE1-CD1 3.72Å; F86-L117 HydrophobicContact CE1-CD2 3.81Å; F86-L117 HydrophobicContact CE1-CG 4.29Å; F86-L117 HydrophobicContact CZ-CD1 4.18Å; F86-V119 HydrophobicContact CB-CG1 4.01Å; F86-V119 HydrophobicContact CD1-CG1 4.16Å; F86-A126 HydrophobicContact CD1-CB 4.3Å; F86-A126 HydrophobicContact CE1-CB 4.47Å; F86-Y129 HydrophobicContact CZ-CD2 4.47Å; F86-V131 HydrophobicContact CB-CG1 3.96Å; F86-V131 HydrophobicContact CD1-CB 4.24Å; F86-V131 HydrophobicContact CD1-CG1 4.21Å; F86-V131 HydrophobicContact CD1-CG2 3.72Å; F86-V131 HydrophobicContact CD2-CG2 3.87Å; F86-V131 HydrophobicContact CE1-CG2 3.77Å; F86-V131 HydrophobicContact CE2-CG2 3.94Å; F86-V131 HydrophobicContact CG-CB 4.42Å; F86-V131 HydrophobicContact CG-CG1 4.06Å; F86-V131 HydrophobicContact CG-CG2 3.78Å; F86-V131 HydrophobicContact CZ-CG2 3.88Å; F86-I134 HydrophobicContact CB-CG2 4.13Å; F86-P135 WeakPolarHBondContact O-CA 3.28Å; F86-T136 HydrophobicContact CD2-CG2 4.44Å; F86-T136 PolarHBondContact N-O 3.44Å; F86-T136 PolarHBondContact O-N 3.44Å; F86-L138 HydrophobicContact CD2-CG 4.39Å; F86-L138 HydrophobicContact CE2-CB 4.26Å; F86-L138 HydrophobicContact CE2-CD1 3.6Å; F86-L138 HydrophobicContact CE2-CG 3.76Å; F86-L138 HydrophobicContact CZ-CD1 4.05Å
87	H	98.7	Very high	98	Very high	30 Å²	30	52.4 Å²	52.4	14%	0.139	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	178.7	-177.8	72	88.6	0	0	0	111.9	Q85 C94 L117 N118 V119	Q85-H87 HydrophobicContact CG-CB 4.46Å; H87-C94 HydrophobicContact CB-CB 4.1Å; H87-L117 PolarHBondContact CD2-O 2.87Å; H87-L117 PolarHBondContact N-O 2.85Å; H87-N118 CarbonylContact O-C 3.57Å; H87-N118 WeakPolarHBondContact O-CA 3.33Å; H87-N118 PolarHBondContact O-OD1 2.78Å; H87-V119 PolarHBondContact O-N 3.01Å
88	A	98.5	Very high	97.9	Very high	3 Å²	3	47.8 Å²	47.8	3%	0.025	25%	0.248	C	C	.	.			trans	-151	158.2	165.5	0	0	0	0	0	109.5	W90 C91 V119 I134	A88-W90 VanDerWaalsContact C-N 3.28Å; A88-W90 HydrophobicContact CB-CD2 3.92Å; A88-W90 HydrophobicContact CB-CG 4.22Å; A88-W90 HydrophobicContact CB-CH2 4.47Å; A88-W90 HydrophobicContact CB-CZ2 3.71Å; A88-W90 PolarHBondContact O-N 3.4Å; A88-C91 HydrophobicContact CB-CB 4.41Å; A88-C91 VanDerWaalsContact O-CB 3.24Å; A88-C91 WeakPolarHBondContact O-CB 2.84Å; A88-C91 PolarHBondContact O-N 2.88Å; A88-C91 VanDerWaalsContact O-N 3.13Å; A88-V119 HydrophobicContact CB-CG2 4.09Å; A88-I134 HydrophobicContact CB-CD1 3.42Å; A88-I134 VanDerWaalsContact CB-CD1 3.42Å
89	D	97.9	Very high	98	Very high	117 Å²	117	50.6 Å²	50.6	63%	0.626	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-29.4	-176.1	-69.2	-29.2	0	0	0	113.4	C91 K95	D89-C91 VanDerWaalsContact C-N 3.27Å; D89-C91 PolarHBondContact O-N 2.93Å; D89-K95 WeakPolarHBondContact O-CE 3.36Å
90	W	97.8	Very high	98.1	Very high	170 Å²	170	46.4 Å²	46.4	64%	0.644	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-7	176.9	52.4	-100.9	0	0	0	113.3	A88 G92 D120 I134	A88-W90 VanDerWaalsContact C-N 3.28Å; A88-W90 HydrophobicContact CB-CD2 3.92Å; A88-W90 HydrophobicContact CB-CG 4.22Å; A88-W90 HydrophobicContact CB-CH2 4.47Å; A88-W90 HydrophobicContact CB-CZ2 3.71Å; A88-W90 PolarHBondContact O-N 3.4Å; W90-G92 PolarHBondContact O-N 3.15Å; W90-D120 VanDerWaalsContact CD1-OD2 3.27Å; W90-D120 PolarHBondContact NE1-OD1 3.04Å; W90-D120 PolarHBondContact NE1-OD2 2.98Å; W90-I134 HydrophobicContact CH2-CD1 3.54Å; W90-I134 HydrophobicContact CH2-CG1 4.06Å; W90-I134 HydrophobicContact CZ2-CD1 3.85Å; W90-I134 HydrophobicContact CZ3-CD1 3.98Å; W90-I134 HydrophobicContact CZ3-CG1 4.43Å
91	C	98	Very high	98.2	Very high	4 Å²	4	42.6 Å²	42.6	3%	0.027	22%	0.224	C	C	.	.			trans	-82.3	101.2	-175.6	174.8	0	0	0	0	111.8	A88 D89 C94 I134	A88-C91 HydrophobicContact CB-CB 4.41Å; A88-C91 VanDerWaalsContact O-CB 3.24Å; A88-C91 WeakPolarHBondContact O-CB 2.84Å; A88-C91 PolarHBondContact O-N 2.88Å; A88-C91 VanDerWaalsContact O-N 3.13Å; D89-C91 VanDerWaalsContact C-N 3.27Å; D89-C91 PolarHBondContact O-N 2.93Å; C91-C94 HydrophobicContact CB-CB 3.6Å; C91-C94 WeakPolarHBondContact CB-SG 3.4Å; C91-C94 WeakPolarHBondContact O-CB 3.37Å; C91-C94 PolarHBondContact O-N 3.12Å; C91-C94 WeakPolarHBondContact SG-CB 3.42Å; C91-C94 PolarHBondContact SG-N 3.02Å; C91-C94 CovalentContact SG-SG 2.04Å; C91-C94 PolarHBondContact SG-SG 2.85Å; C91-I134 HydrophobicContact CB-CD1 3.67Å; C91-I134 HydrophobicContact CB-CG1 4.26Å
92	G	98.1	Very high	98.2	Very high	44 Å²	44	43.8 Å²	43.8	45%	0.454	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-52.3	174.4	0	0	0	0	0	113.9	W90 C94 K95	W90-G92 PolarHBondContact O-N 3.15Å; G92-C94 VanDerWaalsContact C-N 3.25Å; G92-C94 PolarHBondContact O-N 3.11Å; G92-K95 WeakPolarHBondContact O-CB 3.48Å; G92-K95 PolarHBondContact O-N 3.31Å; G92-K95 VanDerWaalsContact O-N 3.15Å
93	P	98.3	Very high	98.1	Very high	65 Å²	65	46.9 Å²	46.9	42%	0.422	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-30	178.4	-25	35	0	0	0	114	K95 L96 L97 V152	P93-K95 VanDerWaalsContact C-N 3.27Å; P93-K95 PolarHBondContact O-N 2.78Å; P93-L96 WeakPolarHBondContact O-CB 3.27Å; P93-L96 PolarHBondContact O-N 2.94Å; P93-L97 PolarHBondContact O-N 3.07Å; P93-V152 HydrophobicContact CB-CG2 3.68Å; P93-V152 WeakPolarHBondContact O-CG2 3.4Å
94	C	98.5	Very high	98.1	Very high	9 Å²	9	47.7 Å²	47.7	6%	0.061	25%	0.253	C	S	.	.	H	α-helix	trans	-63.3	-34.2	177.6	-58.7	0	0	0	0	111.8	H87 C91 G92 L96 L97 G98 P135	H87-C94 HydrophobicContact CB-CB 4.1Å; C91-C94 HydrophobicContact CB-CB 3.6Å; C91-C94 WeakPolarHBondContact CB-SG 3.4Å; C91-C94 WeakPolarHBondContact O-CB 3.37Å; C91-C94 PolarHBondContact O-N 3.12Å; C91-C94 WeakPolarHBondContact SG-CB 3.42Å; C91-C94 PolarHBondContact SG-N 3.02Å; C91-C94 CovalentContact SG-SG 2.04Å; C91-C94 PolarHBondContact SG-SG 2.85Å; G92-C94 VanDerWaalsContact C-N 3.25Å; G92-C94 PolarHBondContact O-N 3.11Å; C94-L96 PolarHBondContact O-N 2.8Å; C94-L97 PolarHBondContact O-N 2.86Å; C94-G98 PolarHBondContact O-N 2.95Å; C94-P135 HydrophobicContact CB-CB 4.45Å
95	K	97.8	Very high	98	Very high	147 Å²	147	47.7 Å²	47.7	64%	0.639	25%	0.253	S	S	*	.	H	α-helix	trans	-66.8	-19.6	175.5	-61.1	-179.5	-177.9	178.2	0	113.2	D89 G92 P93 P99	D89-K95 WeakPolarHBondContact O-CE 3.36Å; G92-K95 WeakPolarHBondContact O-CB 3.48Å; G92-K95 PolarHBondContact O-N 3.31Å; G92-K95 VanDerWaalsContact O-N 3.15Å; P93-K95 VanDerWaalsContact C-N 3.27Å; P93-K95 PolarHBondContact O-N 2.78Å; K95-P99 WeakPolarHBondContact O-CD 3.37Å
96	L	97.8	Very high	97.9	Very high	103 Å²	103	48.8 Å²	48.8	54%	0.539	26%	0.259	S	S	.	.	H	α-helix	trans	-86.9	-38.3	174.1	-65.7	177.7	0	0	0	112.4	P93 C94 R100 V152	P93-L96 WeakPolarHBondContact O-CB 3.27Å; P93-L96 PolarHBondContact O-N 2.94Å; C94-L96 PolarHBondContact O-N 2.8Å; L96-R100 PolarHBondContact O-NE 2.71Å; L96-R100 PolarHBondContact O-NH2 3.34Å; L96-V152 HydrophobicContact CB-CG1 4.42Å; L96-V152 HydrophobicContact CB-CG2 4.38Å
97	L	98.4	Very high	97.7	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-80.6	-45.2	-177.7	-174.8	69.9	0	0	0	112.1	P93 C94 R100 L101 P135 V137 V153 I158	P93-L97 PolarHBondContact O-N 3.07Å; C94-L97 PolarHBondContact O-N 2.86Å; L97-R100 PolarHBondContact O-N 3.27Å; L97-R100 VanDerWaalsContact O-N 3.12Å; L97-L101 PolarHBondContact O-N 2.86Å; L97-P135 HydrophobicContact CB-CG 4.24Å; L97-P135 HydrophobicContact CD2-CB 3.67Å; L97-P135 HydrophobicContact CD2-CG 3.78Å; L97-V137 HydrophobicContact CD2-CG2 3.81Å; L97-V153 HydrophobicContact CD1-CG2 4.18Å; L97-I158 HydrophobicContact CD1-CD1 3.8Å; L97-I158 HydrophobicContact CD1-CG1 4.31Å
98	G	97.6	Very high	97.5	Very high	10 Å²	10	53 Å²	53	10%	0.103	28%	0.284	C	S	.	.	H	α-helix	trans	-51.6	-57.6	-171.7	0	0	0	0	0	114.2	C94 R100 L101 E102	C94-G98 PolarHBondContact O-N 2.95Å; G98-R100 VanDerWaalsContact C-N 3.26Å; G98-R100 PolarHBondContact O-N 3Å; G98-L101 PolarHBondContact O-N 3.32Å; G98-E102 WeakPolarHBondContact O-CB 3.28Å; G98-E102 PolarHBondContact O-N 3.48Å
99	P	97.6	Very high	97.2	Very high	79 Å²	79	61 Å²	61	51%	0.513	32%	0.32	S	S	.	.	H	α-helix	trans	-62.7	-29.8	-179.6	-25	35.1	0	0	0	114.2	K95 S103	K95-P99 WeakPolarHBondContact O-CD 3.37Å; P99-S103 VanDerWaalsContact O-CB 3.26Å; P99-S103 WeakPolarHBondContact O-CB 3.4Å; P99-S103 PolarHBondContact O-N 3.06Å; P99-S103 VanDerWaalsContact O-N 3.07Å
100	R	97.8	Very high	97	Very high	79 Å²	79	56.6 Å²	56.6	30%	0.298	30%	0.303	S	S	.	.	H	α-helix	trans	-74.9	-42.9	177.6	-73.8	-171.5	-91.9	164.9	-2.1	111.6	L96 L97 G98 I104 V153 D155 I158	L96-R100 PolarHBondContact O-NE 2.71Å; L96-R100 PolarHBondContact O-NH2 3.34Å; L97-R100 PolarHBondContact O-N 3.27Å; L97-R100 VanDerWaalsContact O-N 3.12Å; G98-R100 VanDerWaalsContact C-N 3.26Å; G98-R100 PolarHBondContact O-N 3Å; R100-I104 WeakPolarHBondContact O-CG1 3.43Å; R100-I104 PolarHBondContact O-N 2.65Å; R100-I104 VanDerWaalsContact O-N 3.13Å; R100-V153 PolarHBondContact NH1-O 3.44Å; R100-D155 WeakPolarHBondContact CD-OD1 3.49Å; R100-D155 IonicContact NH1-OD1 2.65Å; R100-I158 HydrophobicContact CB-CD1 3.99Å
101	L	98.2	Very high	96.9	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-61.3	-49.5	173.5	-179.5	63.5	0	0	0	110.9	Q85 L97 G98 S103 I104 V105 L114 V137 I158	Q85-L101 HydrophobicContact CB-CD2 4.07Å; Q85-L101 HydrophobicContact CG-CD2 4.38Å; L97-L101 PolarHBondContact O-N 2.86Å; G98-L101 PolarHBondContact O-N 3.32Å; L101-S103 PolarHBondContact O-N 3Å; L101-I104 PolarHBondContact O-N 3.08Å; L101-V105 HydrophobicContact CD1-CG2 4.04Å; L101-V105 HydrophobicContact CG-CG2 4.36Å; L101-V105 WeakPolarHBondContact O-CG2 3.17Å; L101-V105 PolarHBondContact O-N 3.18Å; L101-L114 HydrophobicContact CD2-CD1 3.62Å; L101-L114 HydrophobicContact CG-CD1 4.02Å; L101-L114 HydrophobicContact CG-CD2 4.35Å; L101-V137 HydrophobicContact CD2-CG1 4Å; L101-V137 HydrophobicContact CD2-CG2 3.81Å; L101-I158 HydrophobicContact CD1-CG2 3.69Å
102	E	97.7	Very high	96.9	Very high	49 Å²	49	53.4 Å²	53.4	23%	0.229	30%	0.298	C	S	.	.	H	α-helix	trans	-57.9	-46.7	178	-175.2	165.9	-139.7	0	0	111.8	S62 G98 I104 V105 D106 L114	S62-E102 WeakPolarHBondContact CB-OE1 3.25Å; S62-E102 PolarHBondContact OG-OE1 2.82Å; G98-E102 WeakPolarHBondContact O-CB 3.28Å; G98-E102 PolarHBondContact O-N 3.48Å; E102-I104 VanDerWaalsContact C-N 3.34Å; E102-I104 PolarHBondContact O-N 3.5Å; E102-V105 PolarHBondContact O-N 3.05Å; E102-D106 WeakPolarHBondContact O-CB 3.37Å; E102-D106 PolarHBondContact O-N 2.87Å; E102-L114 HydrophobicContact CB-CD2 3.78Å; E102-L114 HydrophobicContact CG-CD2 4.22Å
103	S	96.8	Very high	96.9	Very high	66 Å²	66	52.8 Å²	52.8	46%	0.462	28%	0.284	S	S	.	.	H	α-helix	trans	-59.3	-40.8	176.8	-178.9	0	0	0	0	113.2	P99 L101 N107	P99-S103 VanDerWaalsContact O-CB 3.26Å; P99-S103 WeakPolarHBondContact O-CB 3.4Å; P99-S103 PolarHBondContact O-N 3.06Å; P99-S103 VanDerWaalsContact O-N 3.07Å; L101-S103 PolarHBondContact O-N 3Å; S103-N107 VanDerWaalsContact O-CG 3.25Å; S103-N107 PolarHBondContact O-N 2.93Å; S103-N107 PolarHBondContact O-ND2 3.41Å
104	I	97.3	Very high	96.9	Very high	18 Å²	18	49.7 Å²	49.7	9%	0.092	26%	0.264	C	S	.	.	H	α-helix	trans	-73.6	-42.9	179.5	-67.7	167.3	0	0	0	110.9	R100 L101 E102 N107 D155 I158 R159 V162	R100-I104 WeakPolarHBondContact O-CG1 3.43Å; R100-I104 PolarHBondContact O-N 2.65Å; R100-I104 VanDerWaalsContact O-N 3.13Å; L101-I104 PolarHBondContact O-N 3.08Å; E102-I104 VanDerWaalsContact C-N 3.34Å; E102-I104 PolarHBondContact O-N 3.5Å; I104-N107 WeakPolarHBondContact O-CB 3.32Å; I104-N107 PolarHBondContact O-N 3.13Å; I104-D155 HydrophobicContact CD1-CB 4.32Å; I104-I158 HydrophobicContact CB-CG2 4.06Å; I104-I158 HydrophobicContact CD1-CB 3.59Å; I104-I158 HydrophobicContact CD1-CD1 4.3Å; I104-I158 HydrophobicContact CD1-CG2 3.46Å; I104-I158 VanDerWaalsContact CD1-CG2 3.46Å; I104-I158 HydrophobicContact CG1-CG2 4.33Å; I104-I158 HydrophobicContact CG2-CG2 4.15Å; I104-R159 HydrophobicContact CD1-CG 4.07Å; I104-R159 HydrophobicContact CG1-CG 4.43Å; I104-R159 HydrophobicContact CG2-CG 4.01Å; I104-V162 HydrophobicContact CG2-CB 4.25Å; I104-V162 HydrophobicContact CG2-CG2 3.96Å
105	V	97.6	Very high	96.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.2	-40.1	177.5	178.3	0	0	0	0	111.2	L101 E102 N107 T108 V112 L114 V162	L101-V105 HydrophobicContact CD1-CG2 4.04Å; L101-V105 HydrophobicContact CG-CG2 4.36Å; L101-V105 WeakPolarHBondContact O-CG2 3.17Å; L101-V105 PolarHBondContact O-N 3.18Å; E102-V105 PolarHBondContact O-N 3.05Å; V105-N107 PolarHBondContact O-N 3.14Å; V105-N107 VanDerWaalsContact O-N 3.16Å; V105-T108 WeakPolarHBondContact O-CB 3.37Å; V105-T108 WeakPolarHBondContact O-CG2 3.4Å; V105-T108 PolarHBondContact O-N 2.82Å; V105-T108 PolarHBondContact O-OG1 3.5Å; V105-V112 HydrophobicContact CG1-CB 4.23Å; V105-V112 HydrophobicContact CG1-CG1 4.14Å; V105-V112 WeakPolarHBondContact CG1-O 3.37Å; V105-L114 HydrophobicContact CB-CB 4.39Å; V105-L114 HydrophobicContact CG1-CB 4.03Å; V105-L114 HydrophobicContact CG2-CB 4.5Å; V105-V162 HydrophobicContact CG2-CG2 3.92Å
106	D	95.9	Very high	96.9	Very high	29 Å²	29	46.7 Å²	46.7	16%	0.155	25%	0.247	C	C	.	.	H	α-helix	trans	-59.2	-29.3	175.9	-83.5	-15.8	0	0	0	112.4	R58 S61 E102 T108 E109	R58-D106 PolarHBondContact NH2-O 2.74Å; S61-D106 WeakPolarHBondContact CB-OD1 3.32Å; S61-D106 PolarHBondContact N-OD1 2.85Å; S61-D106 VanDerWaalsContact N-OD1 3.07Å; S61-D106 PolarHBondContact OG-OD1 3.19Å; E102-D106 WeakPolarHBondContact O-CB 3.37Å; E102-D106 PolarHBondContact O-N 2.87Å; D106-T108 PolarHBondContact O-N 2.89Å; D106-E109 PolarHBondContact O-N 2.95Å
107	N	95	Very high	96.9	Very high	98 Å²	98	41.8 Å²	41.8	52%	0.524	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-9.8	176.2	-65.1	-31	0	0	0	114.1	R58 S103 I104 V105 E109	R58-N107 PolarHBondContact NH1-OD1 3.28Å; S103-N107 VanDerWaalsContact O-CG 3.25Å; S103-N107 PolarHBondContact O-N 2.93Å; S103-N107 PolarHBondContact O-ND2 3.41Å; I104-N107 WeakPolarHBondContact O-CB 3.32Å; I104-N107 PolarHBondContact O-N 3.13Å; V105-N107 PolarHBondContact O-N 3.14Å; V105-N107 VanDerWaalsContact O-N 3.16Å; N107-E109 PolarHBondContact O-N 3.46Å
108	T	94.7	Very high	97	Very high	21 Å²	21	42.3 Å²	42.3	13%	0.129	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-0.4	169.4	72.4	0	0	0	0	112.6	V105 D106 G110 D111 V112 V162	V105-T108 WeakPolarHBondContact O-CB 3.37Å; V105-T108 WeakPolarHBondContact O-CG2 3.4Å; V105-T108 PolarHBondContact O-N 2.82Å; V105-T108 PolarHBondContact O-OG1 3.5Å; D106-T108 PolarHBondContact O-N 2.89Å; T108-G110 PolarHBondContact O-N 2.86Å; T108-D111 PolarHBondContact O-N 2.77Å; T108-V112 HydrophobicContact CG2-CB 4.16Å; T108-V112 HydrophobicContact CG2-CG2 4.17Å; T108-V112 PolarHBondContact OG1-N 3.43Å; T108-V112 VanDerWaalsContact OG1-N 3.12Å; T108-V112 PolarHBondContact OG1-O 2.64Å; T108-V162 HydrophobicContact CG2-CG1 3.31Å
109	E	93.4	Very high	97	Very high	170 Å²	170	43 Å²	43	79%	0.794	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	25.2	176.8	-58.4	-167.5	163.8	0	0	114.5	D106 N107	D106-E109 PolarHBondContact O-N 2.95Å; N107-E109 PolarHBondContact O-N 3.46Å
110	G	93.7	Very high	97	Very high	25 Å²	25	43.6 Å²	43.6	26%	0.258	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	37.9	-174.7	0	0	0	0	0	113.2	R80 T108	R80-G110 PolarHBondContact NE-O 3.25Å; R80-G110 PolarHBondContact NH1-O 2.95Å; R80-G110 PolarHBondContact NH2-O 3.02Å; T108-G110 PolarHBondContact O-N 2.86Å
111	D	94.6	Very high	97	Very high	106 Å²	106	45.5 Å²	45.5	57%	0.567	24%	0.241	S	C	*	.	S	Bend	trans	-88.1	-47.2	155.6	-66.7	-28.5	0	0	0	109.9	R80 T108	R80-D111 PolarHBondContact NE-O 2.8Å; R80-D111 PolarHBondContact NH2-O 2.8Å; T108-D111 PolarHBondContact O-N 2.77Å
112	V	97.4	Very high	97	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	-103.8	142.1	176	-177	0	0	0	0	110.7	R80 P81 A83 V105 T108 V162 L165	R80-V112 PolarHBondContact NH2-O 3.38Å; R80-V112 VanDerWaalsContact NH2-O 3.11Å; P81-V112 HydrophobicContact CB-CG2 4.45Å; A83-V112 HydrophobicContact CB-CG1 4.47Å; V105-V112 HydrophobicContact CG1-CB 4.23Å; V105-V112 HydrophobicContact CG1-CG1 4.14Å; V105-V112 WeakPolarHBondContact CG1-O 3.37Å; T108-V112 HydrophobicContact CG2-CB 4.16Å; T108-V112 HydrophobicContact CG2-CG2 4.17Å; T108-V112 PolarHBondContact OG1-N 3.43Å; T108-V112 VanDerWaalsContact OG1-N 3.12Å; T108-V112 PolarHBondContact OG1-O 2.64Å; V112-V162 HydrophobicContact CG2-CG1 4.18Å; V112-L165 HydrophobicContact CG1-CB 4.48Å; V112-L165 HydrophobicContact CG1-CD1 4.14Å; V112-L165 HydrophobicContact CG2-CB 4.11Å
113	L	98	Very high	96.9	Very high	31 Å²	31	45.6 Å²	45.6	16%	0.162	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	150.1	174.8	-67.7	176.4	0	0	0	111.2	F63 R80 P81 V82 A83	F63-L113 HydrophobicContact CE1-CB 3.94Å; F63-L113 HydrophobicContact CE1-CD1 4.14Å; F63-L113 HydrophobicContact CE1-CD2 4.47Å; F63-L113 HydrophobicContact CE1-CG 4.41Å; R80-L113 HydrophobicContact CB-CD1 4.24Å; R80-L113 HydrophobicContact CB-CG 4.46Å; R80-L113 VanDerWaalsContact NH2-CD2 3.33Å; P81-L113 PolarHBondContact O-N 2.87Å; V82-L113 HydrophobicContact CG1-CB 4.25Å; V82-L113 HydrophobicContact CG2-CB 4.22Å; V82-L113 HydrophobicContact CG2-CD1 4.37Å; A83-L113 PolarHBondContact N-O 2.95Å
114	L	98.5	Very high	97	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	107.6	174	177.1	58.9	0	0	0	111.2	S61 S62 F63 A83 Q85 L101 E102 V105 R116	S61-L114 PolarHBondContact O-N 3.48Å; S62-L114 CarbonylContact C-O 3.56Å; S62-L114 WeakPolarHBondContact CA-O 3.34Å; F63-L114 PolarHBondContact N-O 3.38Å; A83-L114 HydrophobicContact CB-CD1 4.26Å; A83-L114 CarbonylContact O-C 3.57Å; A83-L114 WeakPolarHBondContact O-CA 3.05Å; A83-L114 WeakPolarHBondContact O-CD1 3.37Å; Q85-L114 HydrophobicContact CB-CD1 4.23Å; L101-L114 HydrophobicContact CD2-CD1 3.62Å; L101-L114 HydrophobicContact CG-CD1 4.02Å; L101-L114 HydrophobicContact CG-CD2 4.35Å; E102-L114 HydrophobicContact CB-CD2 3.78Å; E102-L114 HydrophobicContact CG-CD2 4.22Å; V105-L114 HydrophobicContact CB-CB 4.39Å; V105-L114 HydrophobicContact CG1-CB 4.03Å; V105-L114 HydrophobicContact CG2-CB 4.5Å; L114-R116 HydrophobicContact CG-CG 4.48Å
115	A	98.6	Very high	97	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.8	169.7	0	0	0	0	0	110.1	F63 I65 V75 V82 A83 V84 Q85	F63-A115 HydrophobicContact CD2-CB 4.13Å; F63-A115 HydrophobicContact CE2-CB 3.54Å; F63-A115 HydrophobicContact CZ-CB 3.87Å; F63-A115 CarbonylContact O-C 3.58Å; I65-A115 HydrophobicContact CD1-CB 4.08Å; I65-A115 HydrophobicContact CG1-CB 4.04Å; V75-A115 HydrophobicContact CG2-CB 4.15Å; V82-A115 HydrophobicContact CG1-CB 3.76Å; A83-A115 PolarHBondContact O-N 3.18Å; V84-A115 CarbonylContact C-O 3.59Å; V84-A115 WeakPolarHBondContact CA-O 3.46Å; V84-A115 HydrophobicContact CB-CB 4.47Å; V84-A115 HydrophobicContact CG2-CB 4.02Å; Q85-A115 PolarHBondContact N-O 2.79Å
116	R	98.5	Very high	97	Very high	93 Å²	93	46.3 Å²	46.3	35%	0.351	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	122	173.9	-64	-173	-61.8	-176.5	-0.1	108.7	F63 S64 I65 L114	F63-R116 PolarHBondContact O-N 3.49Å; S64-R116 WeakPolarHBondContact CA-O 3.45Å; I65-R116 PolarHBondContact N-O 3.3Å; L114-R116 HydrophobicContact CG-CG 4.48Å
117	L	98.6	Very high	97.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	112.6	-177.9	-172.2	162	0	0	0	108.7	I65 F71 V84 Q85 F86 H87 V119 C122 L125	I65-L117 HydrophobicContact CB-CB 4.38Å; I65-L117 HydrophobicContact CB-CG 4.42Å; I65-L117 HydrophobicContact CG1-CB 4.47Å; I65-L117 HydrophobicContact CG2-CD1 4.4Å; F71-L117 HydrophobicContact CD2-CD1 4.04Å; F71-L117 HydrophobicContact CE2-CD1 4.24Å; V84-L117 HydrophobicContact CG1-CB 4.12Å; V84-L117 HydrophobicContact CG1-CD1 4.29Å; Q85-L117 PolarHBondContact O-N 2.7Å; F86-L117 WeakPolarHBondContact CA-O 3.42Å; F86-L117 HydrophobicContact CD1-CD1 4.28Å; F86-L117 HydrophobicContact CD1-CD2 3.61Å; F86-L117 HydrophobicContact CD1-CG 4.36Å; F86-L117 HydrophobicContact CE1-CD1 3.72Å; F86-L117 HydrophobicContact CE1-CD2 3.81Å; F86-L117 HydrophobicContact CE1-CG 4.29Å; F86-L117 HydrophobicContact CZ-CD1 4.18Å; H87-L117 PolarHBondContact CD2-O 2.87Å; H87-L117 PolarHBondContact N-O 2.85Å; L117-V119 HydrophobicContact CD2-CG1 4.48Å; L117-V119 PolarHBondContact O-N 3.02Å; L117-C122 HydrophobicContact CD1-CB 4.39Å; L117-C122 HydrophobicContact CD2-CB 3.58Å; L117-C122 HydrophobicContact CG-CB 3.88Å; L117-L125 HydrophobicContact CD1-CB 3.96Å; L117-L125 HydrophobicContact CD1-CD1 3.77Å; L117-L125 HydrophobicContact CD1-CG 4.49Å
118	N	98.6	Very high	97.3	Very high	13 Å²	13	53.1 Å²	53.1	7%	0.07	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	118.9	174.5	-174.4	-2.7	0	0	0	109.6	H87 D120 D121 C122	H87-N118 CarbonylContact O-C 3.57Å; H87-N118 WeakPolarHBondContact O-CA 3.33Å; H87-N118 PolarHBondContact O-OD1 2.78Å; N118-D120 PolarHBondContact O-N 3.24Å; N118-D120 PolarHBondContact OD1-N 3.31Å; N118-D120 VanDerWaalsContact OD1-N 3.13Å; N118-D121 HydrophobicContact CB-CB 4.22Å; N118-D121 VanDerWaalsContact CB-OD2 3.32Å; N118-D121 WeakPolarHBondContact CB-OD2 3.43Å; N118-D121 PolarHBondContact ND2-OD2 3.07Å; N118-D121 PolarHBondContact O-N 2.63Å; N118-D121 VanDerWaalsContact O-N 3.14Å; N118-C122 PolarHBondContact O-N 2.57Å
119	V	98.4	Very high	97.4	Very high	23 Å²	23	54.2 Å²	54.2	14%	0.139	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-19.5	-177.3	-58.1	0	0	0	0	113.3	F86 H87 A88 L117 A123 A126 I134	F86-V119 HydrophobicContact CB-CG1 4.01Å; F86-V119 HydrophobicContact CD1-CG1 4.16Å; H87-V119 PolarHBondContact O-N 3.01Å; A88-V119 HydrophobicContact CB-CG2 4.09Å; L117-V119 HydrophobicContact CD2-CG1 4.48Å; L117-V119 PolarHBondContact O-N 3.02Å; V119-A123 WeakPolarHBondContact O-CA 3.4Å; V119-A123 PolarHBondContact O-N 3.41Å; V119-A126 HydrophobicContact CB-CB 4.23Å; V119-A126 HydrophobicContact CG1-CB 3.99Å; V119-I134 HydrophobicContact CG1-CG2 3.7Å; V119-I134 HydrophobicContact CG2-CD1 4.07Å; V119-I134 HydrophobicContact CG2-CG2 4.25Å
120	D	97.8	Very high	97.6	Very high	92 Å²	92	47.8 Å²	47.8	49%	0.492	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-31.3	174.2	-66.4	-29.9	0	0	0	111.4	W90 N118	W90-D120 VanDerWaalsContact CD1-OD2 3.27Å; W90-D120 PolarHBondContact NE1-OD1 3.04Å; W90-D120 PolarHBondContact NE1-OD2 2.98Å; N118-D120 PolarHBondContact O-N 3.24Å; N118-D120 PolarHBondContact OD1-N 3.31Å; N118-D120 VanDerWaalsContact OD1-N 3.13Å
121	D	97.8	Very high	97.8	Very high	119 Å²	119	47.7 Å²	47.7	64%	0.636	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-32.7	-179.2	-59.7	-38.9	0	0	0	112	N118	N118-D121 HydrophobicContact CB-CB 4.22Å; N118-D121 VanDerWaalsContact CB-OD2 3.32Å; N118-D121 WeakPolarHBondContact CB-OD2 3.43Å; N118-D121 PolarHBondContact ND2-OD2 3.07Å; N118-D121 PolarHBondContact O-N 2.63Å; N118-D121 VanDerWaalsContact O-N 3.14Å
122	C	97	Very high	97.9	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.007	27%	0.272	C	S	.	.			trans	-123.5	52.8	-174.1	-69.4	0	0	0	0	111.7	L117 N118 D124 L125 A126	L117-C122 HydrophobicContact CD1-CB 4.39Å; L117-C122 HydrophobicContact CD2-CB 3.58Å; L117-C122 HydrophobicContact CG-CB 3.88Å; N118-C122 PolarHBondContact O-N 2.57Å; C122-D124 VanDerWaalsContact C-N 3.3Å; C122-D124 PolarHBondContact O-N 3.43Å; C122-L125 HydrophobicContact CB-CB 4.32Å; C122-L125 HydrophobicContact CB-CD1 4.07Å; C122-L125 PolarHBondContact O-N 3.16Å; C122-A126 PolarHBondContact O-N 3.36Å; C122-A126 VanDerWaalsContact O-N 3.15Å
123	A	97.4	Very high	97.9	Very high	52 Å²	52	54.5 Å²	54.5	43%	0.43	29%	0.292	S	S	.	.	H	α-helix	trans	-64.3	-32.9	-174	0	0	0	0	0	113.7	V119 A126 M127	V119-A123 WeakPolarHBondContact O-CA 3.4Å; V119-A123 PolarHBondContact O-N 3.41Å; A123-A126 PolarHBondContact O-N 2.77Å; A123-M127 WeakPolarHBondContact O-CG 3.26Å; A123-M127 PolarHBondContact O-N 3.37Å
124	D	97.6	Very high	98	Very high	90 Å²	90	54.5 Å²	54.5	48%	0.481	29%	0.292	S	S	.	.	H	α-helix	trans	-62.7	-47.4	174.7	57.5	-29.9	0	0	0	112.1	C122 A126 M127 E128	C122-D124 VanDerWaalsContact C-N 3.3Å; C122-D124 PolarHBondContact O-N 3.43Å; D124-A126 PolarHBondContact O-N 2.88Å; D124-M127 WeakPolarHBondContact O-CB 3.34Å; D124-M127 PolarHBondContact O-N 2.85Å; D124-E128 WeakPolarHBondContact O-CB 3.4Å; D124-E128 PolarHBondContact O-N 2.92Å
125	L	98.3	Very high	98	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.6	-43.3	174.2	-75.1	171.4	0	0	0	111.3	I65 Y68 F71 L117 C122 M127 E128 Y129	I65-L125 HydrophobicContact CG2-CD1 4.28Å; Y68-L125 HydrophobicContact CD2-CD2 3.64Å; Y68-L125 HydrophobicContact CD2-CG 4.4Å; Y68-L125 HydrophobicContact CE2-CD2 4.17Å; F71-L125 HydrophobicContact CB-CD1 3.67Å; F71-L125 HydrophobicContact CB-CD2 4.28Å; F71-L125 HydrophobicContact CD1-CD1 4.49Å; F71-L125 HydrophobicContact CD1-CD2 3.71Å; F71-L125 HydrophobicContact CD2-CD1 4.07Å; F71-L125 HydrophobicContact CD2-CD2 4.44Å; F71-L125 HydrophobicContact CE1-CD2 4.17Å; F71-L125 HydrophobicContact CG-CD1 3.82Å; F71-L125 HydrophobicContact CG-CD2 3.88Å; L117-L125 HydrophobicContact CD1-CB 3.96Å; L117-L125 HydrophobicContact CD1-CD1 3.77Å; L117-L125 HydrophobicContact CD1-CG 4.49Å; C122-L125 HydrophobicContact CB-CB 4.32Å; C122-L125 HydrophobicContact CB-CD1 4.07Å; C122-L125 PolarHBondContact O-N 3.16Å; L125-M127 VanDerWaalsContact C-N 3.28Å; L125-M127 PolarHBondContact O-N 3.36Å; L125-E128 PolarHBondContact O-N 2.88Å; L125-Y129 HydrophobicContact CD2-CD2 4.47Å; L125-Y129 HydrophobicContact CD2-CE2 4.03Å; L125-Y129 VanDerWaalsContact O-CD2 3.3Å; L125-Y129 WeakPolarHBondContact O-CD2 3.38Å; L125-Y129 PolarHBondContact O-N 2.9Å
126	A	98	Very high	98	Very high	9 Å²	9	54.7 Å²	54.7	7%	0.074	29%	0.293	C	S	.	.	H	α-helix	trans	-59.2	-40.6	175.9	0	0	0	0	0	111.9	F86 V119 C122 A123 D124 G130 V131	F86-A126 HydrophobicContact CD1-CB 4.3Å; F86-A126 HydrophobicContact CE1-CB 4.47Å; V119-A126 HydrophobicContact CB-CB 4.23Å; V119-A126 HydrophobicContact CG1-CB 3.99Å; C122-A126 PolarHBondContact O-N 3.36Å; C122-A126 VanDerWaalsContact O-N 3.15Å; A123-A126 PolarHBondContact O-N 2.77Å; D124-A126 PolarHBondContact O-N 2.88Å; A126-G130 PolarHBondContact O-N 3.34Å; A126-V131 HydrophobicContact CB-CB 4.33Å; A126-V131 WeakPolarHBondContact O-CB 3.43Å; A126-V131 PolarHBondContact O-N 3.46Å
127	M	97.7	Very high	98	Very high	156 Å²	156	50.3 Å²	50.3	77%	0.768	28%	0.276	S	S	*	.	H	α-helix	trans	-68.5	-46	175.7	-75.7	179.6	51.9	0	0	112.9	A123 D124 L125 Y129 G130	A123-M127 WeakPolarHBondContact O-CG 3.26Å; A123-M127 PolarHBondContact O-N 3.37Å; D124-M127 WeakPolarHBondContact O-CB 3.34Å; D124-M127 PolarHBondContact O-N 2.85Å; L125-M127 VanDerWaalsContact C-N 3.28Å; L125-M127 PolarHBondContact O-N 3.36Å; M127-Y129 VanDerWaalsContact C-N 3.3Å; M127-Y129 PolarHBondContact O-N 3.21Å; M127-G130 PolarHBondContact O-N 3.2Å
128	E	97.8	Very high	98	Very high	114 Å²	114	50.5 Å²	50.5	53%	0.533	28%	0.277	S	S	.	.	H	α-helix	trans	-57.8	-43.5	-179.5	-177.9	172.3	176	0	0	111.5	D124 L125 G130	D124-E128 WeakPolarHBondContact O-CB 3.4Å; D124-E128 PolarHBondContact O-N 2.92Å; L125-E128 PolarHBondContact O-N 2.88Å; E128-G130 VanDerWaalsContact C-N 3.27Å; E128-G130 PolarHBondContact O-N 2.04Å
129	Y	98	Very high	98	Very high	43 Å²	43	49.9 Å²	49.9	17%	0.169	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	8	178.4	-71.2	-70.9	0	0	0	114.2	F71 F86 L125 M127 V131 L138 F140 I145	F71-Y129 HydrophobicContact CD1-CE2 4.4Å; F71-Y129 AromaticContact CE1-CE2 3.47Å; F71-Y129 HydrophobicContact CE1-CE2 3.47Å; F71-Y129 VanDerWaalsContact CE1-CE2 3.47Å; F71-Y129 AromaticContact CE1-CZ 3.67Å; F71-Y129 VanDerWaalsContact CE1-OH 3.31Å; F71-Y129 WeakPolarHBondContact CE1-OH 3.17Å; F71-Y129 HydrophobicContact CE2-CE2 4.5Å; F71-Y129 HydrophobicContact CZ-CD2 4.28Å; F71-Y129 AromaticContact CZ-CE2 3.52Å; F71-Y129 HydrophobicContact CZ-CE2 3.52Å; F71-Y129 AromaticContact CZ-CZ 3.82Å; F86-Y129 HydrophobicContact CZ-CD2 4.47Å; L125-Y129 HydrophobicContact CD2-CD2 4.47Å; L125-Y129 HydrophobicContact CD2-CE2 4.03Å; L125-Y129 VanDerWaalsContact O-CD2 3.3Å; L125-Y129 WeakPolarHBondContact O-CD2 3.38Å; L125-Y129 PolarHBondContact O-N 2.9Å; M127-Y129 VanDerWaalsContact C-N 3.3Å; M127-Y129 PolarHBondContact O-N 3.21Å; Y129-V131 VanDerWaalsContact C-N 3.3Å; Y129-V131 PolarHBondContact O-N 2.82Å; Y129-L138 HydrophobicContact CD1-CD1 4.27Å; Y129-L138 HydrophobicContact CG-CD1 4.23Å; Y129-F140 HydrophobicContact CD1-CE1 4.46Å; Y129-F140 HydrophobicContact CD1-CZ 4.01Å; Y129-F140 AromaticContact CE1-CE1 3.74Å; Y129-F140 HydrophobicContact CE1-CE1 3.74Å; Y129-F140 AromaticContact CE1-CZ 3.69Å; Y129-F140 HydrophobicContact CE1-CZ 3.69Å; Y129-I145 HydrophobicContact CD1-CD1 3.78Å; Y129-I145 HydrophobicContact CE1-CD1 4.1Å
130	G	97.5	Very high	98	Very high	36 Å²	36	48.9 Å²	48.9	37%	0.371	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	34.1	174.7	0	0	0	0	0	113.8	A126 M127 E128 Q132	A126-G130 PolarHBondContact O-N 3.34Å; M127-G130 PolarHBondContact O-N 3.2Å; E128-G130 VanDerWaalsContact C-N 3.27Å; E128-G130 PolarHBondContact O-N 2.04Å; G130-Q132 PolarHBondContact O-N 3.13Å
131	V	98.2	Very high	97.9	Very high	22 Å²	22	46 Å²	46	13%	0.133	25%	0.25	C	S	.	.			trans	-78.3	104.5	177.3	179.2	0	0	0	0	109.3	F86 A126 Y129 S133 I134 T136	F86-V131 HydrophobicContact CB-CG1 3.96Å; F86-V131 HydrophobicContact CD1-CB 4.24Å; F86-V131 HydrophobicContact CD1-CG1 4.21Å; F86-V131 HydrophobicContact CD1-CG2 3.72Å; F86-V131 HydrophobicContact CD2-CG2 3.87Å; F86-V131 HydrophobicContact CE1-CG2 3.77Å; F86-V131 HydrophobicContact CE2-CG2 3.94Å; F86-V131 HydrophobicContact CG-CB 4.42Å; F86-V131 HydrophobicContact CG-CG1 4.06Å; F86-V131 HydrophobicContact CG-CG2 3.78Å; F86-V131 HydrophobicContact CZ-CG2 3.88Å; A126-V131 HydrophobicContact CB-CB 4.33Å; A126-V131 WeakPolarHBondContact O-CB 3.43Å; A126-V131 PolarHBondContact O-N 3.46Å; Y129-V131 VanDerWaalsContact C-N 3.3Å; Y129-V131 PolarHBondContact O-N 2.82Å; V131-S133 WeakPolarHBondContact CG1-O 3.42Å; V131-I134 HydrophobicContact CG1-CG2 4.34Å; V131-T136 HydrophobicContact CG1-CG2 4.44Å; V131-T136 HydrophobicContact CG2-CG2 4.26Å
132	Q	96.7	Very high	97.8	Very high	189 Å²	189	46.9 Å²	46.9	88%	0.883	26%	0.255	S	S	*	.			trans	-94.5	-16.5	-176.7	-62.6	177.8	23	0	0	113.4	G130	G130-Q132 PolarHBondContact O-N 3.13Å
133	S	97.6	Very high	97.7	Very high	61 Å²	61	48.2 Å²	48.2	43%	0.427	27%	0.269	S	S	.	.	S	Bend	trans	-152	154.8	-179.1	60.4	0	0	0	0	110.5	V131 T136	V131-S133 WeakPolarHBondContact CG1-O 3.42Å; S133-T136 PolarHBondContact O-OG1 3.24Å
134	I	98.6	Very high	97.7	Very high	31 Å²	31	52.7 Å²	52.7	16%	0.159	28%	0.281	C	S	.	.	S	Bend	trans	-120.4	147.4	174.9	56.2	169.9	0	0	0	110.7	F86 A88 W90 C91 V119 V131	F86-I134 HydrophobicContact CB-CG2 4.13Å; A88-I134 HydrophobicContact CB-CD1 3.42Å; A88-I134 VanDerWaalsContact CB-CD1 3.42Å; W90-I134 HydrophobicContact CH2-CD1 3.54Å; W90-I134 HydrophobicContact CH2-CG1 4.06Å; W90-I134 HydrophobicContact CZ2-CD1 3.85Å; W90-I134 HydrophobicContact CZ3-CD1 3.98Å; W90-I134 HydrophobicContact CZ3-CG1 4.43Å; C91-I134 HydrophobicContact CB-CD1 3.67Å; C91-I134 HydrophobicContact CB-CG1 4.26Å; V119-I134 HydrophobicContact CG1-CG2 3.7Å; V119-I134 HydrophobicContact CG2-CD1 4.07Å; V119-I134 HydrophobicContact CG2-CG2 4.25Å; V131-I134 HydrophobicContact CG1-CG2 4.34Å
135	P	98.6	Very high	97.7	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.013	28%	0.278	C	S	.	.	S	Bend	cis	-73.8	143	-2.3	30.6	-34.5	0	0	0	112.4	F86 C94 L97 G151 V152	F86-P135 WeakPolarHBondContact O-CA 3.28Å; C94-P135 HydrophobicContact CB-CB 4.45Å; L97-P135 HydrophobicContact CB-CG 4.24Å; L97-P135 HydrophobicContact CD2-CB 3.67Å; L97-P135 HydrophobicContact CD2-CG 3.78Å; P135-G151 PolarHBondContact O-N 3.07Å; P135-V152 HydrophobicContact CG-CG2 4.44Å
136	T	98.8	Very high	97.7	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.012	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.3	166.5	-72.5	0	0	0	0	107.4	F86 V131 S133 L138 I149 V150	F86-T136 HydrophobicContact CD2-CG2 4.44Å; F86-T136 PolarHBondContact N-O 3.44Å; F86-T136 PolarHBondContact O-N 3.44Å; V131-T136 HydrophobicContact CG1-CG2 4.44Å; V131-T136 HydrophobicContact CG2-CG2 4.26Å; S133-T136 PolarHBondContact O-OG1 3.24Å; T136-L138 HydrophobicContact CG2-CD2 4.11Å; T136-L138 HydrophobicContact CG2-CG 4.33Å; T136-I149 CarbonylContact C-O 3.57Å; T136-I149 WeakPolarHBondContact CA-O 3.45Å; T136-V150 HydrophobicContact CG2-CG2 4.41Å
137	V	98.8	Very high	97.6	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125.7	174	-168.2	0	0	0	0	108.3	A83 V84 Q85 L97 L101 K148 I149 F161	A83-V137 HydrophobicContact CB-CG1 4.26Å; V84-V137 CarbonylContact O-C 3.47Å; V84-V137 VanDerWaalsContact O-CA 3.26Å; V84-V137 WeakPolarHBondContact O-CA 3.45Å; Q85-V137 HydrophobicContact CB-CG2 4.46Å; Q85-V137 HydrophobicContact CG-CG2 4.36Å; L97-V137 HydrophobicContact CD2-CG2 3.81Å; L101-V137 HydrophobicContact CD2-CG1 4Å; L101-V137 HydrophobicContact CD2-CG2 3.81Å; V137-K148 WeakPolarHBondContact O-CA 3.32Å; V137-I149 HydrophobicContact CB-CB 4.23Å; V137-I149 PolarHBondContact N-O 3.25Å; V137-I149 PolarHBondContact O-N 3.25Å; V137-F161 HydrophobicContact CB-CZ 4.38Å; V137-F161 HydrophobicContact CG1-CE1 3.9Å; V137-F161 HydrophobicContact CG1-CE2 4.36Å; V137-F161 HydrophobicContact CG1-CZ 3.62Å
138	L	98.7	Very high	97.7	Very high	4 Å²	4	55 Å²	55	2%	0.021	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.8	173.1	-60.6	-176.9	0	0	0	108.9	V84 F86 Y129 T136 F140 I145 K148	V84-L138 PolarHBondContact N-O 2.99Å; V84-L138 PolarHBondContact O-N 3.38Å; F86-L138 HydrophobicContact CD2-CG 4.39Å; F86-L138 HydrophobicContact CE2-CB 4.26Å; F86-L138 HydrophobicContact CE2-CD1 3.6Å; F86-L138 HydrophobicContact CE2-CG 3.76Å; F86-L138 HydrophobicContact CZ-CD1 4.05Å; Y129-L138 HydrophobicContact CD1-CD1 4.27Å; Y129-L138 HydrophobicContact CG-CD1 4.23Å; T136-L138 HydrophobicContact CG2-CD2 4.11Å; T136-L138 HydrophobicContact CG2-CG 4.33Å; L138-F140 HydrophobicContact CB-CD2 4.23Å; L138-F140 HydrophobicContact CB-CE2 3.6Å; L138-F140 HydrophobicContact CB-CZ 4.33Å; L138-F140 HydrophobicContact CD1-CE2 4.32Å; L138-F140 HydrophobicContact CD1-CZ 4.32Å; L138-I145 HydrophobicContact CD1-CD1 4.28Å; L138-I145 HydrophobicContact CD2-CG2 4.5Å; L138-K148 HydrophobicContact CD2-CB 3.91Å; L138-K148 HydrophobicContact CD2-CD 3.74Å; L138-K148 HydrophobicContact CD2-CG 3.67Å
139	G	98.5	Very high	97.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	123	173.9	0	0	0	0	0	110.2	I145 V146 E147	G139-I145 CarbonylContact O-C 3.6Å; G139-I145 WeakPolarHBondContact O-CA 3.24Å; G139-V146 PolarHBondContact O-N 3.13Å; G139-E147 PolarHBondContact N-O 3.34Å
140	F	98.3	Very high	97.7	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.009	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	137.6	177.9	-70.8	-98.5	0	0	0	111.1	F71 V75 L76 P81 V82 V84 Y129 L138 E144 I145	F71-F140 HydrophobicContact CZ-CE1 4.27Å; F71-F140 HydrophobicContact CZ-CE2 4.27Å; F71-F140 AromaticContact CZ-CZ 3.84Å; F71-F140 HydrophobicContact CZ-CZ 3.84Å; V75-F140 HydrophobicContact CG1-CB 3.97Å; V75-F140 HydrophobicContact CG1-CD1 4.07Å; V75-F140 HydrophobicContact CG1-CD2 3.72Å; V75-F140 HydrophobicContact CG1-CE1 4.49Å; V75-F140 HydrophobicContact CG1-CE2 4.17Å; V75-F140 HydrophobicContact CG1-CG 3.65Å; L76-F140 HydrophobicContact CD2-CD1 4.1Å; L76-F140 HydrophobicContact CD2-CE1 3.99Å; P81-F140 CarbonylContact C-O 3.51Å; P81-F140 VanDerWaalsContact CA-O 3.3Å; P81-F140 WeakPolarHBondContact CA-O 3.48Å; V82-F140 PolarHBondContact N-O 3Å; V82-F140 PolarHBondContact O-N 3.21Å; V84-F140 HydrophobicContact CB-CD2 4.21Å; V84-F140 HydrophobicContact CB-CE2 3.95Å; V84-F140 HydrophobicContact CG2-CD2 3.47Å; V84-F140 VanDerWaalsContact CG2-CD2 3.47Å; V84-F140 HydrophobicContact CG2-CE2 3.51Å; Y129-F140 HydrophobicContact CD1-CE1 4.46Å; Y129-F140 HydrophobicContact CD1-CZ 4.01Å; Y129-F140 AromaticContact CE1-CE1 3.74Å; Y129-F140 HydrophobicContact CE1-CE1 3.74Å; Y129-F140 AromaticContact CE1-CZ 3.69Å; Y129-F140 HydrophobicContact CE1-CZ 3.69Å; L138-F140 HydrophobicContact CB-CD2 4.23Å; L138-F140 HydrophobicContact CB-CE2 3.6Å; L138-F140 HydrophobicContact CB-CZ 4.33Å; L138-F140 HydrophobicContact CD1-CE2 4.32Å; L138-F140 HydrophobicContact CD1-CZ 4.32Å; F140-E144 CarbonylContact C-O 3.57Å; F140-E144 VanDerWaalsContact CA-O 3.24Å; F140-E144 WeakPolarHBondContact CA-O 3.36Å; F140-I145 HydrophobicContact CD1-CG1 4.14Å; F140-I145 HydrophobicContact CE1-CD1 4.43Å; F140-I145 HydrophobicContact CE1-CG1 3.65Å; F140-I145 HydrophobicContact CZ-CD1 4.4Å; F140-I145 HydrophobicContact CZ-CG1 3.9Å
141	R	96.7	Very high	97.8	Very high	33 Å²	33	51 Å²	51	13%	0.125	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	132.4	168	-177	-174.6	-64.8	162.9	-2.8	108.1	G143 E144 V146 K164 L165 S167	R141-G143 PolarHBondContact O-N 3.34Å; R141-G143 VanDerWaalsContact O-N 3.1Å; R141-E144 PolarHBondContact N-O 3.48Å; R141-E144 PolarHBondContact O-N 2.89Å; R141-V146 HydrophobicContact CB-CG1 3.99Å; R141-V146 HydrophobicContact CB-CG2 4.45Å; R141-K164 PolarHBondContact NH2-O 2.97Å; R141-L165 PolarHBondContact NH2-O 3.21Å; R141-S167 PolarHBondContact NH1-O 2.82Å; R141-S167 PolarHBondContact NH2-O 3.31Å
142	D	95.3	Very high	97.8	Very high	136 Å²	136	53 Å²	53	73%	0.727	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	34.2	-179.2	-55.3	-40.8	0	0	0	113.9	E144	D142-E144 PolarHBondContact O-N 2.79Å
143	G	95.6	Very high	97.8	Very high	30 Å²	30	45.6 Å²	45.6	31%	0.309	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	0.4	-177.4	0	0	0	0	0	115.5	L76 R141	L76-G143 WeakPolarHBondContact O-CA 3.49Å; R141-G143 PolarHBondContact O-N 3.34Å; R141-G143 VanDerWaalsContact O-N 3.1Å
144	E	96.7	Very high	97.9	Very high	145 Å²	145	46.5 Å²	46.5	68%	0.678	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.7	150.7	178.5	-60.5	-166.8	166	0	0	112.1	F140 R141 D142	F140-E144 CarbonylContact C-O 3.57Å; F140-E144 VanDerWaalsContact CA-O 3.24Å; F140-E144 WeakPolarHBondContact CA-O 3.36Å; R141-E144 PolarHBondContact N-O 3.48Å; R141-E144 PolarHBondContact O-N 2.89Å; D142-E144 PolarHBondContact O-N 2.79Å
145	I	97.5	Very high	97.9	Very high	84 Å²	84	47.9 Å²	47.9	43%	0.431	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	120.1	176.7	-57.1	167.4	0	0	0	108.8	Y129 L138 G139 F140	Y129-I145 HydrophobicContact CD1-CD1 3.78Å; Y129-I145 HydrophobicContact CE1-CD1 4.1Å; L138-I145 HydrophobicContact CD1-CD1 4.28Å; L138-I145 HydrophobicContact CD2-CG2 4.5Å; G139-I145 CarbonylContact O-C 3.6Å; G139-I145 WeakPolarHBondContact O-CA 3.24Å; F140-I145 HydrophobicContact CD1-CG1 4.14Å; F140-I145 HydrophobicContact CE1-CD1 4.43Å; F140-I145 HydrophobicContact CE1-CG1 3.65Å; F140-I145 HydrophobicContact CZ-CD1 4.4Å; F140-I145 HydrophobicContact CZ-CG1 3.9Å
146	V	97.2	Very high	97.9	Very high	68 Å²	68	54 Å²	54	41%	0.412	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-23.6	-178.9	-61.6	0	0	0	0	113.5	G139 R141 L165	G139-V146 PolarHBondContact O-N 3.13Å; R141-V146 HydrophobicContact CB-CG1 3.99Å; R141-V146 HydrophobicContact CB-CG2 4.45Å; V146-L165 HydrophobicContact CG2-CD2 3.42Å; V146-L165 VanDerWaalsContact CG2-CD2 3.42Å
147	E	97.3	Very high	97.8	Very high	54 Å²	54	56.4 Å²	56.4	25%	0.252	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	155.6	-178	-172.7	57.1	-86.1	0	0	112.1	G139 F161 K164	G139-E147 PolarHBondContact N-O 3.34Å; E147-F161 HydrophobicContact CB-CD2 3.96Å; E147-F161 HydrophobicContact CB-CE2 3.87Å; E147-F161 HydrophobicContact CG-CD2 3.34Å; E147-F161 HydrophobicContact CG-CE2 3.73Å; E147-F161 HydrophobicContact CG-CG 4.34Å; E147-K164 HydrophobicContact CG-CD 4.43Å; E147-K164 VanDerWaalsContact OE2-CD 3.28Å; E147-K164 WeakPolarHBondContact OE2-CD 3.39Å; E147-K164 IonicContact OE2-NZ 3.72Å; E147-K164 PolarHBondContact OE2-NZ 3.31Å
148	K	98.3	Very high	97.8	Very high	99 Å²	99	56.3 Å²	56.3	43%	0.43	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	129.8	179.9	175.6	169.8	-177	169.2	0	112.7	V137 L138 V150	V137-K148 WeakPolarHBondContact O-CA 3.32Å; L138-K148 HydrophobicContact CD2-CB 3.91Å; L138-K148 HydrophobicContact CD2-CD 3.74Å; L138-K148 HydrophobicContact CD2-CG 3.67Å; K148-V150 HydrophobicContact CD-CG2 4.28Å; K148-V150 HydrophobicContact CG-CG2 4.08Å
149	I	98.5	Very high	97.8	Very high	11 Å²	11	61.7 Å²	61.7	6%	0.056	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	137.4	166.1	-66.2	168.4	0	0	0	109.2	T136 V137 V153 F161	T136-I149 CarbonylContact C-O 3.57Å; T136-I149 WeakPolarHBondContact CA-O 3.45Å; V137-I149 HydrophobicContact CB-CB 4.23Å; V137-I149 PolarHBondContact N-O 3.25Å; V137-I149 PolarHBondContact O-N 3.25Å; I149-V153 HydrophobicContact CD1-CG2 4.37Å; I149-V153 HydrophobicContact CG2-CG1 3.84Å; I149-V153 HydrophobicContact CG2-CG2 3.87Å; I149-F161 HydrophobicContact CD1-CB 3.54Å; I149-F161 HydrophobicContact CD1-CD1 4.19Å; I149-F161 HydrophobicContact CD1-CD2 3.47Å; I149-F161 VanDerWaalsContact CD1-CD2 3.47Å; I149-F161 HydrophobicContact CD1-CE2 4.24Å; I149-F161 HydrophobicContact CD1-CG 3.47Å; I149-F161 VanDerWaalsContact CD1-CG 3.47Å; I149-F161 HydrophobicContact CG1-CB 4.37Å; I149-F161 HydrophobicContact CG1-CD2 3.65Å; I149-F161 HydrophobicContact CG1-CE2 4.27Å; I149-F161 HydrophobicContact CG1-CG 4.18Å
150	V	98.5	Very high	97.8	Very high	76 Å²	76	65.4 Å²	65.4	46%	0.461	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.5	171.2	-178.8	0	0	0	0	109.5	T136 K148	T136-V150 HydrophobicContact CG2-CG2 4.41Å; K148-V150 HydrophobicContact CD-CG2 4.28Å; K148-V150 HydrophobicContact CG-CG2 4.08Å
151	G	98.5	Very high	97.8	Very high	22 Å²	22	65.5 Å²	65.5	23%	0.227	35%	0.345	C	S	.	.	S	Bend	trans	83.6	-167.4	179.2	0	0	0	0	0	114	P135	P135-G151 PolarHBondContact O-N 3.07Å
152	V	98.2	Very high	97.8	Very high	64 Å²	64	64 Å²	64	39%	0.388	34%	0.34	S	S	.	.			trans	-88.2	126.4	176.6	179.9	0	0	0	0	108.5	P93 L96 P135	P93-V152 HydrophobicContact CB-CG2 3.68Å; P93-V152 WeakPolarHBondContact O-CG2 3.4Å; L96-V152 HydrophobicContact CB-CG1 4.42Å; L96-V152 HydrophobicContact CB-CG2 4.38Å; P135-V152 HydrophobicContact CG-CG2 4.44Å
153	V	98.4	Very high	97.9	Very high	33 Å²	33	61.6 Å²	61.6	20%	0.2	33%	0.327	C	S	.	.			trans	-119	171	177.5	-64.4	0	0	0	0	110.3	L97 R100 I149 T157 I158	L97-V153 HydrophobicContact CD1-CG2 4.18Å; R100-V153 PolarHBondContact NH1-O 3.44Å; I149-V153 HydrophobicContact CD1-CG2 4.37Å; I149-V153 HydrophobicContact CG2-CG1 3.84Å; I149-V153 HydrophobicContact CG2-CG2 3.87Å; V153-T157 HydrophobicContact CB-CG2 3.84Å; V153-T157 HydrophobicContact CG1-CG2 4.06Å; V153-T157 HydrophobicContact CG2-CG2 3.87Å; V153-I158 HydrophobicContact CG2-CD1 4.41Å; V153-I158 HydrophobicContact CG2-CG1 3.71Å
154	D	98.4	Very high	98	Very high	80 Å²	80	65.7 Å²	65.7	43%	0.428	34%	0.336	S	S	.	.			trans	-77.4	166.6	172.6	66.4	86.8	0	0	0	111.8	E156 T157 I158	D154-E156 VanDerWaalsContact C-N 3.3Å; D154-E156 PolarHBondContact O-N 2.98Å; D154-E156 WeakPolarHBondContact OD1-CA 2.95Å; D154-E156 WeakPolarHBondContact OD1-CB 3.45Å; D154-E156 PolarHBondContact OD1-N 3.19Å; D154-T157 PolarHBondContact O-N 3.23Å; D154-T157 PolarHBondContact OD1-N 3.19Å; D154-T157 PolarHBondContact OD2-OG1 3.22Å; D154-I158 WeakPolarHBondContact O-CG1 3.33Å; D154-I158 PolarHBondContact O-N 3.27Å
155	D	98.3	Very high	97.9	Very high	60 Å²	60	58.8 Å²	58.8	32%	0.321	30%	0.304	S	S	.	.	H	α-helix	trans	-68.4	-26.5	-174.9	-63	7.5	0	0	0	113.2	R100 I104 I158 R159	R100-D155 WeakPolarHBondContact CD-OD1 3.49Å; R100-D155 IonicContact NH1-OD1 2.65Å; I104-D155 HydrophobicContact CD1-CB 4.32Å; D155-I158 PolarHBondContact O-N 3.06Å; D155-R159 VanDerWaalsContact C-NH1 3.26Å; D155-R159 WeakPolarHBondContact O-CG 3.24Å; D155-R159 PolarHBondContact O-N 3.15Å; D155-R159 PolarHBondContact O-NH1 3.29Å; D155-R159 IonicContact OD2-NH2 3.52Å
156	E	98.4	Very high	97.7	Very high	129 Å²	129	57.3 Å²	57.3	60%	0.603	30%	0.301	S	S	*	.	H	α-helix	trans	-68.4	-43.2	176	-174.1	-177.4	166.1	0	0	110.2	D154 I158 R159 N160	D154-E156 VanDerWaalsContact C-N 3.3Å; D154-E156 PolarHBondContact O-N 2.98Å; D154-E156 WeakPolarHBondContact OD1-CA 2.95Å; D154-E156 WeakPolarHBondContact OD1-CB 3.45Å; D154-E156 PolarHBondContact OD1-N 3.19Å; E156-I158 VanDerWaalsContact C-N 3.3Å; E156-I158 PolarHBondContact O-N 3.36Å; E156-R159 PolarHBondContact O-N 2.89Å; E156-N160 WeakPolarHBondContact O-CB 3.36Å; E156-N160 VanDerWaalsContact O-CG 3.27Å; E156-N160 PolarHBondContact O-N 3.27Å; E156-N160 PolarHBondContact O-ND2 3.21Å
157	T	98.5	Very high	97.3	Very high	53 Å²	53	56.7 Å²	56.7	33%	0.325	30%	0.3	S	S	.	.	H	α-helix	trans	-58.8	-41.2	173.2	-60	0	0	0	0	112	V153 D154 F161	V153-T157 HydrophobicContact CB-CG2 3.84Å; V153-T157 HydrophobicContact CG1-CG2 4.06Å; V153-T157 HydrophobicContact CG2-CG2 3.87Å; D154-T157 PolarHBondContact O-N 3.23Å; D154-T157 PolarHBondContact OD1-N 3.19Å; D154-T157 PolarHBondContact OD2-OG1 3.22Å; T157-F161 WeakPolarHBondContact O-CB 3.26Å; T157-F161 PolarHBondContact O-N 2.9Å
158	I	98.6	Very high	96.2	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-66.3	-42.6	176.7	-57.9	171	0	0	0	111.1	L97 R100 L101 I104 V153 D154 D155 E156 F161 V162	L97-I158 HydrophobicContact CD1-CD1 3.8Å; L97-I158 HydrophobicContact CD1-CG1 4.31Å; R100-I158 HydrophobicContact CB-CD1 3.99Å; L101-I158 HydrophobicContact CD1-CG2 3.69Å; I104-I158 HydrophobicContact CB-CG2 4.06Å; I104-I158 HydrophobicContact CD1-CB 3.59Å; I104-I158 HydrophobicContact CD1-CD1 4.3Å; I104-I158 HydrophobicContact CD1-CG2 3.46Å; I104-I158 VanDerWaalsContact CD1-CG2 3.46Å; I104-I158 HydrophobicContact CG1-CG2 4.33Å; I104-I158 HydrophobicContact CG2-CG2 4.15Å; V153-I158 HydrophobicContact CG2-CD1 4.41Å; V153-I158 HydrophobicContact CG2-CG1 3.71Å; D154-I158 WeakPolarHBondContact O-CG1 3.33Å; D154-I158 PolarHBondContact O-N 3.27Å; D155-I158 PolarHBondContact O-N 3.06Å; E156-I158 VanDerWaalsContact C-N 3.3Å; E156-I158 PolarHBondContact O-N 3.36Å; I158-F161 WeakPolarHBondContact O-CB 3.08Å; I158-F161 PolarHBondContact O-N 3.12Å; I158-V162 WeakPolarHBondContact O-CG2 3.4Å; I158-V162 PolarHBondContact O-N 2.85Å
159	R	98.2	Very high	94.2	Very high	116 Å²	116	68.1 Å²	68.1	44%	0.438	36%	0.359	S	S	.	.	H	α-helix	trans	-61.3	-49	176.2	-72.2	-180	-159.4	94	4.8	111.4	I104 D155 E156 F161 V162 D163	I104-R159 HydrophobicContact CD1-CG 4.07Å; I104-R159 HydrophobicContact CG1-CG 4.43Å; I104-R159 HydrophobicContact CG2-CG 4.01Å; D155-R159 VanDerWaalsContact C-NH1 3.26Å; D155-R159 WeakPolarHBondContact O-CG 3.24Å; D155-R159 PolarHBondContact O-N 3.15Å; D155-R159 PolarHBondContact O-NH1 3.29Å; D155-R159 IonicContact OD2-NH2 3.52Å; E156-R159 PolarHBondContact O-N 2.89Å; R159-F161 PolarHBondContact O-N 3.31Å; R159-V162 CarbonylContact O-C 3.58Å; R159-V162 PolarHBondContact O-N 3.38Å; R159-D163 WeakPolarHBondContact O-CB 3.48Å; R159-D163 PolarHBondContact O-N 3.19Å
160	N	98.1	Very high	94	Very high	78 Å²	78	71 Å²	71	42%	0.417	37%	0.374	S	S	.	.	H	α-helix	trans	-58.2	-37.3	177.4	-69.5	-24.3	0	0	0	112.4	E156 K164	E156-N160 WeakPolarHBondContact O-CB 3.36Å; E156-N160 VanDerWaalsContact O-CG 3.27Å; E156-N160 PolarHBondContact O-N 3.27Å; E156-N160 PolarHBondContact O-ND2 3.21Å; N160-K164 WeakPolarHBondContact O-CB 3.41Å; N160-K164 VanDerWaalsContact O-CG 3.25Å; N160-K164 WeakPolarHBondContact O-CG 3.42Å; N160-K164 PolarHBondContact O-N 2.9Å
161	F	98.3	Very high	93.7	Very high	4 Å²	4	70.7 Å²	70.7	2%	0.018	37%	0.37	C	S	.	.	H	α-helix	trans	-63.3	-45.5	173.4	171.1	-84.8	0	0	0	112.3	A83 V137 E147 I149 T157 I158 R159 L165	A83-F161 HydrophobicContact CB-CE1 3.79Å; A83-F161 HydrophobicContact CB-CZ 4.33Å; V137-F161 HydrophobicContact CB-CZ 4.38Å; V137-F161 HydrophobicContact CG1-CE1 3.9Å; V137-F161 HydrophobicContact CG1-CE2 4.36Å; V137-F161 HydrophobicContact CG1-CZ 3.62Å; E147-F161 HydrophobicContact CB-CD2 3.96Å; E147-F161 HydrophobicContact CB-CE2 3.87Å; E147-F161 HydrophobicContact CG-CD2 3.34Å; E147-F161 HydrophobicContact CG-CE2 3.73Å; E147-F161 HydrophobicContact CG-CG 4.34Å; I149-F161 HydrophobicContact CD1-CB 3.54Å; I149-F161 HydrophobicContact CD1-CD1 4.19Å; I149-F161 HydrophobicContact CD1-CD2 3.47Å; I149-F161 VanDerWaalsContact CD1-CD2 3.47Å; I149-F161 HydrophobicContact CD1-CE2 4.24Å; I149-F161 HydrophobicContact CD1-CG 3.47Å; I149-F161 VanDerWaalsContact CD1-CG 3.47Å; I149-F161 HydrophobicContact CG1-CB 4.37Å; I149-F161 HydrophobicContact CG1-CD2 3.65Å; I149-F161 HydrophobicContact CG1-CE2 4.27Å; I149-F161 HydrophobicContact CG1-CG 4.18Å; T157-F161 WeakPolarHBondContact O-CB 3.26Å; T157-F161 PolarHBondContact O-N 2.9Å; I158-F161 WeakPolarHBondContact O-CB 3.08Å; I158-F161 PolarHBondContact O-N 3.12Å; R159-F161 PolarHBondContact O-N 3.31Å; F161-L165 HydrophobicContact CD1-CD1 3.98Å; F161-L165 HydrophobicContact CE1-CD1 3.35Å; F161-L165 HydrophobicContact CE1-CG 4.43Å; F161-L165 HydrophobicContact CZ-CD1 3.73Å; F161-L165 PolarHBondContact O-N 3.16Å
162	V	97.8	Very high	93.5	Very high	2 Å²	2	73.4 Å²	73.4	1%	0.012	38%	0.378	C	S	.	.	H	α-helix	trans	-69.6	-39	179.2	173.7	0	0	0	0	111.5	I104 V105 T108 V112 I158 R159 K164 L165 S166	I104-V162 HydrophobicContact CG2-CB 4.25Å; I104-V162 HydrophobicContact CG2-CG2 3.96Å; V105-V162 HydrophobicContact CG2-CG2 3.92Å; T108-V162 HydrophobicContact CG2-CG1 3.31Å; V112-V162 HydrophobicContact CG2-CG1 4.18Å; I158-V162 WeakPolarHBondContact O-CG2 3.4Å; I158-V162 PolarHBondContact O-N 2.85Å; R159-V162 CarbonylContact O-C 3.58Å; R159-V162 PolarHBondContact O-N 3.38Å; V162-K164 PolarHBondContact O-N 3.37Å; V162-L165 CarbonylContact O-C 3.56Å; V162-L165 WeakPolarHBondContact O-CA 3.4Å; V162-L165 WeakPolarHBondContact O-CB 3.18Å; V162-L165 PolarHBondContact O-N 3.06Å; V162-L165 VanDerWaalsContact O-N 3.08Å; V162-S166 PolarHBondContact O-N 2.86Å; V162-S166 PolarHBondContact O-OG 3.46Å
163	D	96.9	Very high	93.2	Very high	85 Å²	85	73.9 Å²	73.9	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-65.6	-38.1	177.5	-66.5	-21	0	0	0	111.9	R159 L165 S166 S167	R159-D163 WeakPolarHBondContact O-CB 3.48Å; R159-D163 PolarHBondContact O-N 3.19Å; D163-L165 VanDerWaalsContact C-N 3.29Å; D163-L165 PolarHBondContact O-N 3.48Å; D163-S166 WeakPolarHBondContact CA-OG 3.37Å; D163-S166 PolarHBondContact O-N 3.02Å; D163-S166 PolarHBondContact O-OG 3.38Å; D163-S167 WeakPolarHBondContact O-CB 3.45Å; D163-S167 PolarHBondContact O-N 3.47Å; D163-S167 PolarHBondContact O-OG 3.45Å
164	K	96.7	Very high	92.9	Very high	117 Å²	117	76.5 Å²	76.5	51%	0.509	39%	0.388	S	S	.	.	H	α-helix	trans	-63	-36.5	170.7	-79.1	172.9	173.8	179.6	0	112	R141 E147 N160 V162	R141-K164 PolarHBondContact NH2-O 2.97Å; E147-K164 HydrophobicContact CG-CD 4.43Å; E147-K164 VanDerWaalsContact OE2-CD 3.28Å; E147-K164 WeakPolarHBondContact OE2-CD 3.39Å; E147-K164 IonicContact OE2-NZ 3.72Å; E147-K164 PolarHBondContact OE2-NZ 3.31Å; N160-K164 WeakPolarHBondContact O-CB 3.41Å; N160-K164 VanDerWaalsContact O-CG 3.25Å; N160-K164 WeakPolarHBondContact O-CG 3.42Å; N160-K164 PolarHBondContact O-N 2.9Å; V162-K164 PolarHBondContact O-N 3.37Å
165	L	96.2	Very high	92.5	Very high	0 Å²	0	76.3 Å²	76.3	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-72.6	-26.6	176.5	-78.7	172.8	0	0	0	113.4	P81 A83 V112 R141 V146 F161 V162 D163	P81-L165 HydrophobicContact CB-CB 4.14Å; P81-L165 HydrophobicContact CB-CD2 4.25Å; P81-L165 VanDerWaalsContact CB-O 3.27Å; P81-L165 WeakPolarHBondContact CB-O 3.2Å; P81-L165 WeakPolarHBondContact CG-O 3.3Å; A83-L165 HydrophobicContact CB-CD1 4.11Å; V112-L165 HydrophobicContact CG1-CB 4.48Å; V112-L165 HydrophobicContact CG1-CD1 4.14Å; V112-L165 HydrophobicContact CG2-CB 4.11Å; R141-L165 PolarHBondContact NH2-O 3.21Å; V146-L165 HydrophobicContact CG2-CD2 3.42Å; V146-L165 VanDerWaalsContact CG2-CD2 3.42Å; F161-L165 HydrophobicContact CD1-CD1 3.98Å; F161-L165 HydrophobicContact CE1-CD1 3.35Å; F161-L165 HydrophobicContact CE1-CG 4.43Å; F161-L165 HydrophobicContact CZ-CD1 3.73Å; F161-L165 PolarHBondContact O-N 3.16Å; V162-L165 CarbonylContact O-C 3.56Å; V162-L165 WeakPolarHBondContact O-CA 3.4Å; V162-L165 WeakPolarHBondContact O-CB 3.18Å; V162-L165 PolarHBondContact O-N 3.06Å; V162-L165 VanDerWaalsContact O-N 3.08Å; D163-L165 VanDerWaalsContact C-N 3.29Å; D163-L165 PolarHBondContact O-N 3.48Å
166	S	93.2	Very high	92.1	Very high	52 Å²	52	77.4 Å²	77.4	36%	0.364	39%	0.39	S	S	.	.	H	α-helix	trans	-88.3	-19.3	177.2	58.3	0	0	0	0	113.8	V162 D163	V162-S166 PolarHBondContact O-N 2.86Å; V162-S166 PolarHBondContact O-OG 3.46Å; D163-S166 WeakPolarHBondContact CA-OG 3.37Å; D163-S166 PolarHBondContact O-N 3.02Å; D163-S166 PolarHBondContact O-OG 3.38Å
167	S	88.5	Confident	91.6	Very high	56 Å²	56	73.5 Å²	73.5	39%	0.392	37%	0.374	S	S	.	.			trans	-93.1	117.3	-177.3	-56.6	0	0	0	0	111.6	R141 D163 E169	R141-S167 PolarHBondContact NH1-O 2.82Å; R141-S167 PolarHBondContact NH2-O 3.31Å; D163-S167 WeakPolarHBondContact O-CB 3.45Å; D163-S167 PolarHBondContact O-N 3.47Å; D163-S167 PolarHBondContact O-OG 3.45Å; S167-E169 PolarHBondContact O-N 3.41Å
168	D	73.4	Confident	91	Very high	148 Å²	148	75.2 Å²	75.2	79%	0.791	38%	0.378	S	S	*	.			trans	-67	14.9	-176.4	-62.9	-42.3	0	0	0	116
169	E	56.4	Low	90.3	Very high	244 Å²	244	82 Å²	82	100%	1.14	41%	0.412	S	S	*	.			trans	-78.5	0	-172.9	-63.3	-161.8	118.4	0	0	114.9	S167	S167-E169 PolarHBondContact O-N 3.41Å

Retrieved 169 of 169 residues in 170 ms (Link to these results)

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