RANG_DICDI Loading...

Ran-specific GTPase-activating protein homolog

AlphaFold DB , UniProt , Accession Q54KD9, Species DICDI (Dictyostelium discoideum, Social amoeba), Gene ranbp1, Length 194 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	49.4	Very low	45.7	Very low	254 Å²	254	172.1 Å²	172.1	100%	1.251	85%	0.854	S	S	*	*				0	107.3	0	-65.7	-147.2	-131.9	0	0	106.7
2	S	41.8	Very low	44.8	Very low	109 Å²	109	167.9 Å²	167.9	76%	0.762	85%	0.845	S	S	*	*			trans	-96.3	138.5	-176.7	45.5	0	0	0	0	108.7
3	E	50.8	Low	44.2	Very low	204 Å²	204	164.2 Å²	164.2	95%	0.953	84%	0.837	S	S	*	*			trans	-153.1	105	153.3	-113.7	159.6	-169.4	0	0	109.1
4	V	44.3	Very low	43.7	Very low	136 Å²	136	161.1 Å²	161.1	82%	0.824	83%	0.83	S	S	*	*			trans	-98.4	120.7	169.6	168.1	0	0	0	0	104.8
5	E	55.5	Low	43.4	Very low	186 Å²	186	158.7 Å²	158.7	87%	0.869	83%	0.826	S	S	*	*			trans	-110.3	114.4	173.9	-155.1	172.7	171.4	0	0	109.5
6	K	44.8	Very low	43.2	Very low	191 Å²	191	156.2 Å²	156.2	83%	0.83	82%	0.82	S	S	*	*			trans	-93.4	135.7	168	-82.6	179.6	171.6	-177.8	0	108.5
7	K	51.8	Low	43.4	Very low	164 Å²	164	154.6 Å²	154.6	71%	0.713	82%	0.817	S	S	*	*			trans	-168.2	145.5	152.6	-93.2	-173	173.3	-123	0	106.1
8	E	47.2	Very low	43.3	Very low	158 Å²	158	155.9 Å²	155.9	74%	0.738	82%	0.818	S	S	*	*			cis	-162.4	150.4	0.5	-120.8	156.2	-170.7	0	0	105.1
9	E	37.9	Very low	43.3	Very low	184 Å²	184	158.2 Å²	158.2	86%	0.86	82%	0.821	S	S	*	*			trans	-92	128.7	-176.5	-168.3	173.6	-160.1	0	0	108.8
10	E	45.9	Very low	43.1	Very low	198 Å²	198	156.7 Å²	156.7	93%	0.925	82%	0.819	S	S	*	*			trans	-124.6	119.5	170.1	-139.4	174.8	-164.6	0	0	109.7
11	T	33.1	Very low	42.8	Very low	109 Å²	109	158.4 Å²	158.4	67%	0.669	82%	0.823	S	S	*	*			trans	-92.2	167.3	-174.6	-56.5	0	0	0	0	110.4
12	T	35.2	Very low	42.3	Very low	122 Å²	122	155.2 Å²	155.2	75%	0.748	81%	0.805	S	S	*	*			trans	90.4	124.6	161.8	-11.5	0	0	0	0	113.4
13	T	37.4	Very low	42.1	Very low	120 Å²	120	159 Å²	159	74%	0.736	81%	0.808	S	S	*	*			cis	-162.5	136.5	40	-50.2	0	0	0	0	110.1
14	T	36.6	Very low	41.7	Very low	121 Å²	121	159 Å²	159	74%	0.742	80%	0.804	S	S	*	*			trans	-75.6	138.2	171.8	-49.7	0	0	0	0	110.9
15	T	39.6	Very low	41.2	Very low	125 Å²	125	160.4 Å²	160.4	77%	0.767	80%	0.802	S	S	*	*			trans	-129.3	99.7	161.6	-48.2	0	0	0	0	108.8
16	T	40.8	Very low	40.6	Very low	118 Å²	118	160.8 Å²	160.8	72%	0.724	80%	0.804	S	S	*	*			trans	-79.9	125.5	169	-13.4	0	0	0	0	108
17	V	46.1	Very low	40	Very low	129 Å²	129	158.6 Å²	158.6	78%	0.782	81%	0.807	S	S	*	*			trans	-102.1	96.5	169.2	179.7	0	0	0	0	107.2
18	E	41	Very low	39.3	Very low	178 Å²	178	156.5 Å²	156.5	83%	0.832	81%	0.813	S	S	*	*			trans	-78.6	124.6	162.3	-78.8	-179	149.2	0	0	108.5
19	K	44.5	Very low	38.7	Very low	199 Å²	199	154 Å²	154	87%	0.865	81%	0.813	S	S	*	*			trans	-104	107.4	172.7	-157.1	176.9	-174.1	-178.4	0	107.6
20	T	38.4	Very low	38.8	Very low	129 Å²	129	155.3 Å²	155.3	79%	0.791	82%	0.816	S	S	*	*			trans	-66.3	126.2	178.6	-37.3	0	0	0	0	110.9
21	E	35.8	Very low	38.5	Very low	193 Å²	193	150 Å²	150	90%	0.902	81%	0.805	S	S	*	*			trans	-90.2	115.3	165.7	-77	-177.8	151.5	0	0	109.4
22	E	40.1	Very low	38.7	Very low	187 Å²	187	150.9 Å²	150.9	87%	0.874	81%	0.814	S	S	*	*			trans	-92	119.9	164.9	-90.2	-173	156.4	0	0	109.9
23	K	37.8	Very low	39.1	Very low	188 Å²	188	149.7 Å²	149.7	82%	0.817	82%	0.816	S	S	*	*			trans	-90.7	114.3	175.7	-158.1	-177.7	-173.2	-168.4	0	108.4
24	K	41.5	Very low	39.3	Very low	203 Å²	203	148.7 Å²	148.7	88%	0.883	82%	0.82	S	S	*	*			trans	-111.7	113.1	163.4	-96.6	-175.6	177	179.6	0	109.4
25	E	35.2	Very low	39.4	Very low	166 Å²	166	150.7 Å²	150.7	78%	0.776	82%	0.82	S	S	*	*			trans	-76.1	120.8	166	-74	173.8	160.9	0	0	109.2
26	E	41.4	Very low	40.1	Very low	195 Å²	195	152.9 Å²	152.9	91%	0.911	83%	0.826	S	S	*	*			trans	-131.2	120.3	152.9	-85.7	-172.8	170.1	0	0	108.4
27	T	32.3	Very low	40.5	Very low	145 Å²	145	155.2 Å²	155.2	89%	0.89	83%	0.826	S	S	*	*			trans	-86	127.9	177.6	35.6	0	0	0	0	109
28	S	37.6	Very low	40.7	Very low	119 Å²	119	157.5 Å²	157.5	83%	0.832	83%	0.828	S	S	*	*			trans	-158.1	121.7	157.5	177.6	0	0	0	0	110.5
29	S	34.2	Very low	41.4	Very low	106 Å²	106	159.8 Å²	159.8	74%	0.741	83%	0.831	S	S	*	*			trans	-61.9	138.4	-177.5	51.9	0	0	0	0	115.2
30	F	39.3	Very low	41.8	Very low	212 Å²	212	154.6 Å²	154.6	93%	0.93	83%	0.825	S	S	*	*			trans	-159.3	147.5	135.4	-138.7	-104.9	0	0	0	111.6
31	A	41.5	Very low	42.9	Very low	85 Å²	85	152.4 Å²	152.4	70%	0.702	82%	0.82	S	S	*	*			trans	-70.8	165	-159	0	0	0	0	0	117.3
32	P	35.9	Very low	44.4	Very low	129 Å²	129	150.7 Å²	150.7	84%	0.838	82%	0.817	S	S	*	*			trans	-93.3	143.7	-175.1	36.3	-29.8	0	0	0	112.7
33	A	43.8	Very low	45.9	Very low	97 Å²	97	147.7 Å²	147.7	80%	0.802	81%	0.811	S	S	*	*			trans	-161.8	131.7	162	0	0	0	0	0	111.6
34	A	41.5	Very low	47.8	Very low	98 Å²	98	146.4 Å²	146.4	81%	0.81	81%	0.808	S	S	*	*			trans	65	105	149.4	0	0	0	0	0	119.2
35	E	39.2	Very low	49.7	Very low	163 Å²	163	142.5 Å²	142.5	76%	0.762	80%	0.804	S	S	*	*				-167	100.6	114.8	-113.6	179.2	-179.8	0	0	109.4	K37	E35-K37 PolarHBondContact O-N 2.79Å
36	I	53.1	Low	51.9	Low	171 Å²	171	141 Å²	141	88%	0.877	80%	0.801	S	S	*	*			trans	-74.7	98.8	159.3	-64.6	171	0	0	0	104.6	E38	I36-E38 PolarHBondContact O-N 3.25Å; I36-E38 VanDerWaalsContact O-N 3.08Å
37	K	49.6	Very low	54	Low	167 Å²	167	137.2 Å²	137.2	73%	0.726	79%	0.791	S	S	*	*			trans	-70.9	101.9	166.7	-85	-179.6	178.5	173.8	0	107.8	E35 Y39	E35-K37 PolarHBondContact O-N 2.79Å; K37-Y39 PolarHBondContact O-N 2.85Å
38	E	51.2	Low	56.6	Low	177 Å²	177	138.6 Å²	138.6	83%	0.827	79%	0.787	S	S	*	*			trans	-49	113.9	164.5	-167.5	172	-169.4	0	0	108.4	I36 A40	I36-E38 PolarHBondContact O-N 3.25Å; I36-E38 VanDerWaalsContact O-N 3.08Å; E38-A40 PolarHBondContact O-N 2.93Å
39	Y	54.6	Low	58.9	Low	226 Å²	226	142.5 Å²	142.5	89%	0.886	79%	0.785	S	S	*	*			trans	-65.2	103.5	169.7	-93.1	-99.6	0	0	0	106.6	K37 A41	K37-Y39 PolarHBondContact O-N 2.85Å; Y39-A41 PolarHBondContact O-N 2.8Å; Y39-A41 VanDerWaalsContact O-N 3.15Å
40	A	54.5	Low	61.3	Low	90 Å²	90	146.4 Å²	146.4	74%	0.744	79%	0.792	S	S	*	*			trans	-51.7	122.5	167.6	0	0	0	0	0	107.6	E38 D42	E38-A40 PolarHBondContact O-N 2.93Å; A40-D42 PolarHBondContact O-N 3.31Å; A40-D42 VanDerWaalsContact O-N 3.12Å
41	A	61.7	Low	63.5	Low	84 Å²	84	139.8 Å²	139.8	69%	0.694	78%	0.776	S	S	*	*			trans	-51.7	122.2	173.7	0	0	0	0	0	108.3	Y39 V43	Y39-A41 PolarHBondContact O-N 2.8Å; Y39-A41 VanDerWaalsContact O-N 3.15Å; A41-V43 HydrophobicContact CB-CG2 4.35Å; A41-V43 PolarHBondContact O-N 3.35Å
42	D	67.2	Low	65.6	Low	156 Å²	156	143 Å²	143	83%	0.834	79%	0.788	S	S	*	*			trans	-67.1	82.8	174.2	-134.4	-21.2	0	0	0	107.2	A40 E44	A40-D42 PolarHBondContact O-N 3.31Å; A40-D42 VanDerWaalsContact O-N 3.12Å; D42-E44 VanDerWaalsContact C-N 3.31Å; D42-E44 PolarHBondContact O-N 2.91Å; D42-E44 VanDerWaalsContact O-N 3.08Å
43	V	71.4	Confident	68	Low	124 Å²	124	142.2 Å²	142.2	75%	0.752	78%	0.775	S	S	*	*			trans	-79.3	87.8	174.7	-178.7	0	0	0	0	106.4	A41	A41-V43 HydrophobicContact CB-CG2 4.35Å; A41-V43 PolarHBondContact O-N 3.35Å
44	E	76.8	Confident	69.9	Low	161 Å²	161	147.1 Å²	147.1	75%	0.752	78%	0.779	S	S	*	*			trans	-62.3	129.3	169.8	-70.8	-170.2	164.9	0	0	109.3	D42 N46	D42-E44 VanDerWaalsContact C-N 3.31Å; D42-E44 PolarHBondContact O-N 2.91Å; D42-E44 VanDerWaalsContact O-N 3.08Å; E44-N46 PolarHBondContact O-N 2.68Å
45	P	80.8	Confident	72	Confident	122 Å²	122	152.4 Å²	152.4	79%	0.792	78%	0.778	S	S	*	*			trans	-67.5	96.5	175.6	27	-32.8	0	0	0	109.9	V47	P45-V47 PolarHBondContact O-N 2.85Å
46	N	82.4	Confident	74.4	Confident	133 Å²	133	151.7 Å²	151.7	71%	0.711	78%	0.779	S	S	*	*			trans	-81.4	96.7	170.3	-173.3	48.4	0	0	0	109.6	E44 E48	E44-N46 PolarHBondContact O-N 2.68Å; N46-E48 PolarHBondContact O-N 3.49Å
47	V	85.7	Confident	76	Confident	117 Å²	117	150.7 Å²	150.7	71%	0.709	78%	0.781	S	S	*	*			trans	-75.8	109.7	175.5	-178.7	0	0	0	0	109.2	P45	P45-V47 PolarHBondContact O-N 2.85Å
48	E	86.3	Confident	78	Confident	173 Å²	173	148.1 Å²	148.1	81%	0.808	78%	0.779	S	S	*	*			trans	-78.7	134	173.1	-63.2	-175.1	177.2	0	0	110.7	N46	N46-E48 PolarHBondContact O-N 3.49Å
49	Y	86.4	Confident	79.8	Confident	201 Å²	201	147.8 Å²	147.8	79%	0.788	78%	0.777	S	S	*	*			trans	-130.3	143.4	174.4	57.3	-88.6	0	0	0	110.2
50	E	84.5	Confident	81.4	Confident	188 Å²	188	143 Å²	143	88%	0.879	77%	0.771	S	S	*	*			trans	-82.1	129.3	171.1	-66.9	-167.7	167.1	0	0	110.2	T52	E50-T52 PolarHBondContact O-N 3.21Å
51	A	85.3	Confident	83.2	Confident	73 Å²	73	145.3 Å²	145.3	60%	0.603	76%	0.764	S	S	*	*			trans	-68.5	115.4	177.6	0	0	0	0	0	110.7	L53	A51-L53 PolarHBondContact O-N 3.06Å
52	T	85.9	Confident	84.6	Confident	154 Å²	154	144.7 Å²	144.7	95%	0.945	75%	0.752	S	S	*	*	S	Bend	trans	-65.7	-24.6	176.2	-40.5	0	0	0	0	112.7	E50	E50-T52 PolarHBondContact O-N 3.21Å
53	L	86.5	Confident	85.7	Confident	111 Å²	111	143.2 Å²	143.2	58%	0.581	74%	0.744	S	S	*	*	S	Bend	trans	-126.6	114.4	-178.4	-175.7	71.2	0	0	0	109.8	A51 R55	A51-L53 PolarHBondContact O-N 3.06Å; L53-R55 HydrophobicContact CD2-CG 3.94Å; L53-R55 HydrophobicContact CG-CG 4.17Å
54	K	83.7	Confident	86.8	Confident	201 Å²	201	138.3 Å²	138.3	87%	0.874	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-77.7	121.1	164.3	-64.9	-177.4	-178.9	-179.6	0	107.6
55	R	86	Confident	87.6	Confident	208 Å²	208	135.5 Å²	135.5	79%	0.785	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-103.6	137	171.6	-71.7	-173.9	169.6	121.1	-1.5	108.7	L53	L53-R55 HydrophobicContact CD2-CG 3.94Å; L53-R55 HydrophobicContact CG-CG 4.17Å
56	D	88.2	Confident	88.3	Confident	149 Å²	149	132.8 Å²	132.8	80%	0.797	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-68.4	147.2	169.1	-61.7	-38.8	0	0	0	109.6	V58	D56-V58 PolarHBondContact O-N 3.19Å; D56-V58 VanDerWaalsContact O-N 3.11Å
57	V	88.2	Confident	89	Confident	150 Å²	150	127.7 Å²	127.7	91%	0.909	65%	0.651	S	S	*	*			trans	-69.8	108.7	172.7	179.5	0	0	0	0	107.3
58	V	89.8	Confident	89.6	Confident	112 Å²	112	125.6 Å²	125.6	68%	0.679	64%	0.635	S	S	*	*			trans	-89.7	122.5	175.9	-177.8	0	0	0	0	108.4	D56 V60	D56-V58 PolarHBondContact O-N 3.19Å; D56-V58 VanDerWaalsContact O-N 3.11Å; V58-V60 HydrophobicContact CG1-CG2 4.47Å; V58-V60 PolarHBondContact O-N 3.36Å
59	E	89.5	Confident	90.1	Very high	170 Å²	170	120.8 Å²	120.8	79%	0.794	62%	0.618	S	S	*	*			trans	-70.1	116.8	169.7	-170.7	-178.5	171.7	0	0	109.1
60	V	89.4	Confident	90.7	Very high	125 Å²	125	114.3 Å²	114.3	76%	0.758	60%	0.597	S	S	*	*			trans	-105.2	120.5	-179.7	-178.8	0	0	0	0	108.8	V58	V58-V60 HydrophobicContact CG1-CG2 4.47Å; V58-V60 PolarHBondContact O-N 3.36Å
61	K	91	Very high	91.3	Very high	140 Å²	140	106.3 Å²	106.3	61%	0.609	56%	0.559	S	S	*	*			trans	-85.6	147	173	-66.5	-174.8	-179.8	-177.4	0	110.7	N63 E65	K61-N63 VanDerWaalsContact C-N 3.34Å; K61-E65 WeakPolarHBondContact CA-OE1 3.5Å; K61-E65 WeakPolarHBondContact CB-OE1 2.95Å
62	T	91.4	Very high	92	Very high	70 Å²	70	107.7 Å²	107.7	43%	0.429	55%	0.553	S	S	.	*			trans	-82.1	-19.4	178.1	60.7	0	0	0	0	112.1	E64 E65 R112	T62-E64 PolarHBondContact OG1-N 2.89Å; T62-E65 PolarHBondContact N-OE1 3.05Å; T62-E65 PolarHBondContact OG1-OE1 2.84Å; T62-R112 PolarHBondContact O-NH2 2.92Å
63	N	91.2	Very high	92.6	Very high	125 Å²	125	101.2 Å²	101.2	67%	0.668	51%	0.512	S	S	*	.	S	Bend	trans	59.5	36.6	-169.2	-56.5	-48.4	0	0	0	112.1	K61 E65 R108	K61-N63 VanDerWaalsContact C-N 3.34Å; N63-E65 WeakPolarHBondContact CA-OE2 3.26Å; N63-E65 PolarHBondContact N-OE1 3.28Å; N63-E65 PolarHBondContact N-OE2 2.9Å; N63-R108 PolarHBondContact O-NH2 2.97Å
64	E	94	Very high	93.1	Very high	22 Å²	22	101.3 Å²	101.3	10%	0.103	51%	0.505	C	S	.	.			trans	-129.4	3.9	177.1	-58.3	173.3	-166.3	0	0	111	T62 N66 E67 R97 L99 R112	T62-E64 PolarHBondContact OG1-N 2.89Å; E64-N66 VanDerWaalsContact C-N 3.29Å; E64-N66 PolarHBondContact O-N 2.65Å; E64-E67 PolarHBondContact O-N 3.36Å; E64-R97 VanDerWaalsContact CD-NH2 3.26Å; E64-R97 IonicContact OE1-NH2 2.65Å; E64-R97 PolarHBondContact OE1-NH2 3.43Å; E64-R97 VanDerWaalsContact OE1-NH2 3.08Å; E64-R97 IonicContact OE2-CZ 2.68Å; E64-R97 IonicContact OE2-NH1 3.14Å; E64-R97 PolarHBondContact OE2-NH1 3.34Å; E64-R97 IonicContact OE2-NH2 3.88Å; E64-R97 PolarHBondContact OE2-NH2 2.95Å; E64-L99 HydrophobicContact CB-CD1 4.34Å; E64-L99 HydrophobicContact CG-CD1 4.04Å; E64-R112 IonicContact OE1-CZ 3.67Å; E64-R112 IonicContact OE1-NE 2.69Å; E64-R112 PolarHBondContact OE1-NE 2.75Å; E64-R112 IonicContact OE1-NH2 3.33Å; E64-R112 PolarHBondContact OE1-NH2 2.88Å
65	E	94.1	Very high	93.8	Very high	101 Å²	101	92 Å²	92	47%	0.472	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-26.7	-172.7	-59.5	82.9	175.4	0	0	112.8	K61 T62 N63 E67 K102	K61-E65 WeakPolarHBondContact CA-OE1 3.5Å; K61-E65 WeakPolarHBondContact CB-OE1 2.95Å; T62-E65 PolarHBondContact N-OE1 3.05Å; T62-E65 PolarHBondContact OG1-OE1 2.84Å; N63-E65 WeakPolarHBondContact CA-OE2 3.26Å; N63-E65 PolarHBondContact N-OE1 3.28Å; N63-E65 PolarHBondContact N-OE2 2.9Å; E65-E67 VanDerWaalsContact C-N 3.28Å; E65-K102 PolarHBondContact O-NZ 3.47Å
66	N	95.8	Very high	94.4	Very high	65 Å²	65	85.1 Å²	85.1	35%	0.348	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	12.3	176.4	-159.5	50.8	0	0	0	113.5	E64 D101 K102 D103	E64-N66 VanDerWaalsContact C-N 3.29Å; E64-N66 PolarHBondContact O-N 2.65Å; N66-D101 PolarHBondContact ND2-OD2 2.91Å; N66-K102 WeakPolarHBondContact O-CB 3.11Å; N66-K102 WeakPolarHBondContact O-CD 3.4Å; N66-K102 VanDerWaalsContact O-CG 3.23Å; N66-K102 WeakPolarHBondContact O-CG 3.29Å; N66-K102 PolarHBondContact O-N 2.91Å; N66-D103 PolarHBondContact ND2-OD2 3.4Å
67	E	97.2	Very high	94.9	Very high	27 Å²	27	78 Å²	78	13%	0.126	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	147.5	-176.5	-54.4	-179.9	125.2	0	0	111.7	E64 E65 L99 E100 D101 R108	E64-E67 PolarHBondContact O-N 3.36Å; E65-E67 VanDerWaalsContact C-N 3.28Å; E67-L99 HydrophobicContact CB-CB 3.94Å; E67-L99 HydrophobicContact CG-CB 4.46Å; E67-L99 VanDerWaalsContact OE2-CD1 3.22Å; E67-L99 WeakPolarHBondContact OE2-CD1 3.37Å; E67-E100 CarbonylContact C-O 3.6Å; E67-E100 WeakPolarHBondContact CA-O 3.34Å; E67-D101 HydrophobicContact CG-CB 4.35Å; E67-R108 VanDerWaalsContact CD-NE 3.31Å; E67-R108 VanDerWaalsContact CD-NH2 3.28Å; E67-R108 IonicContact OE1-CZ 3.08Å; E67-R108 IonicContact OE1-NE 3.28Å; E67-R108 PolarHBondContact OE1-NE 2.75Å; E67-R108 IonicContact OE1-NH2 3.2Å; E67-R108 PolarHBondContact OE1-NH2 2.66Å; E67-R108 IonicContact OE2-CZ 2.69Å; E67-R108 VanDerWaalsContact OE2-CZ 3.28Å; E67-R108 IonicContact OE2-NE 2.82Å; E67-R108 PolarHBondContact OE2-NE 2.82Å; E67-R108 VanDerWaalsContact OE2-NE 3.09Å; E67-R108 IonicContact OE2-NH2 2.75Å; E67-R108 PolarHBondContact OE2-NH2 3.37Å
68	D	97.4	Very high	95.4	Very high	73 Å²	73	73 Å²	73	39%	0.39	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	131.8	174.6	-65.8	-41.4	0	0	0	110.1	L70 L99 E100 K102	D68-L70 PolarHBondContact O-N 3.06Å; D68-L99 WeakPolarHBondContact O-CA 3.49Å; D68-E100 PolarHBondContact N-O 2.83Å; D68-E100 PolarHBondContact O-N 2.87Å; D68-K102 VanDerWaalsContact CG-CE 3.49Å; D68-K102 WeakPolarHBondContact OD1-CE 3.49Å; D68-K102 IonicContact OD1-NZ 3.59Å
69	T	97.6	Very high	95.7	Very high	72 Å²	72	70.5 Å²	70.5	44%	0.442	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	112.5	175.7	-56.2	0	0	0	0	110.1	E72 R97 L99	T69-E72 HydrophobicContact CG2-CB 4.19Å; T69-R97 HydrophobicContact CG2-CG 4.37Å; T69-L99 HydrophobicContact CG2-CD2 4.38Å; T69-L99 WeakPolarHBondContact OG1-CD2 3.48Å
70	L	97.8	Very high	96.1	Very high	65 Å²	65	65.4 Å²	65.4	34%	0.34	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	-31.5	176.6	-62.1	-174.4	0	0	0	112.8	D68 F98 E100 I107	D68-L70 PolarHBondContact O-N 3.06Å; L70-F98 HydrophobicContact CB-CB 4.45Å; L70-F98 PolarHBondContact N-O 3.4Å; L70-E100 HydrophobicContact CD1-CB 3.83Å; L70-E100 HydrophobicContact CD1-CG 4.46Å; L70-E100 HydrophobicContact CD2-CB 4.18Å; L70-E100 HydrophobicContact CG-CB 3.91Å; L70-I107 HydrophobicContact CD1-CD1 3.65Å; L70-I107 HydrophobicContact CD1-CG1 4.06Å; L70-I107 HydrophobicContact CD1-CG2 4.35Å
71	F	98.2	Very high	96.4	Very high	20 Å²	20	60.8 Å²	60.8	9%	0.088	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	141.7	-174.8	177.5	-106.4	0	0	0	109.5	I73 R97 F98 L174 F175 E178	F71-I73 HydrophobicContact CD1-CG2 4.49Å; F71-I73 HydrophobicContact CE1-CB 3.88Å; F71-I73 HydrophobicContact CE1-CG2 3.38Å; F71-I73 HydrophobicContact CE2-CB 4.43Å; F71-I73 HydrophobicContact CZ-CB 3.64Å; F71-I73 HydrophobicContact CZ-CD1 4.06Å; F71-I73 HydrophobicContact CZ-CG1 4.47Å; F71-I73 HydrophobicContact CZ-CG2 3.52Å; F71-R97 CarbonylContact O-C 3.55Å; F71-R97 VanDerWaalsContact O-CA 3.23Å; F71-R97 WeakPolarHBondContact O-CA 3.37Å; F71-F98 HydrophobicContact CB-CB 4.15Å; F71-F98 HydrophobicContact CB-CD2 3.62Å; F71-F98 HydrophobicContact CB-CE2 4.29Å; F71-F98 HydrophobicContact CB-CG 4.09Å; F71-F98 AromaticContact CD1-CD2 3.74Å; F71-F98 HydrophobicContact CD1-CD2 3.74Å; F71-F98 AromaticContact CD1-CE2 3.62Å; F71-F98 HydrophobicContact CD1-CE2 3.62Å; F71-F98 HydrophobicContact CD1-CG 4.23Å; F71-F98 HydrophobicContact CD1-CZ 4.03Å; F71-F98 HydrophobicContact CE1-CE2 4.28Å; F71-F98 HydrophobicContact CE1-CZ 4.43Å; F71-F98 HydrophobicContact CG-CD2 4Å; F71-F98 HydrophobicContact CG-CE2 4.18Å; F71-F98 PolarHBondContact O-N 3.24Å; F71-L174 HydrophobicContact CE2-CD2 3.84Å; F71-L174 HydrophobicContact CE2-CG 3.77Å; F71-L174 HydrophobicContact CZ-CD2 4.41Å; F71-L174 HydrophobicContact CZ-CG 4.23Å; F71-F175 HydrophobicContact CE1-CB 4.45Å; F71-F175 AromaticContact CE1-CD2 3.94Å; F71-F175 HydrophobicContact CE1-CD2 3.94Å; F71-F175 HydrophobicContact CZ-CB 4.47Å; F71-E178 HydrophobicContact CB-CB 4.45Å; F71-E178 HydrophobicContact CD1-CB 4.48Å; F71-E178 HydrophobicContact CD2-CB 4.09Å; F71-E178 HydrophobicContact CD2-CG 3.67Å; F71-E178 HydrophobicContact CE2-CB 4.46Å; F71-E178 HydrophobicContact CE2-CG 4Å; F71-E178 HydrophobicContact CG-CB 4.08Å; F71-E178 HydrophobicContact CG-CG 4.16Å
72	E	98.4	Very high	96.6	Very high	101 Å²	101	58.7 Å²	58.7	47%	0.472	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	128.6	175.8	-177.7	169.2	174.6	0	0	110	T69 N95 V96 R97	T69-E72 HydrophobicContact CG2-CB 4.19Å; E72-N95 HydrophobicContact CG-CB 3.93Å; E72-N95 WeakPolarHBondContact OE1-CB 3.45Å; E72-N95 PolarHBondContact OE1-ND2 3.49Å; E72-V96 WeakPolarHBondContact CA-O 3.39Å; E72-R97 HydrophobicContact CB-CG 4Å; E72-R97 HydrophobicContact CG-CG 3.71Å
73	I	98.5	Very high	96.6	Very high	19 Å²	19	61 Å²	61	10%	0.097	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	150.6	175.9	-160.8	166.5	0	0	0	112	F71 N95 V96 F166 N171	F71-I73 HydrophobicContact CD1-CG2 4.49Å; F71-I73 HydrophobicContact CE1-CB 3.88Å; F71-I73 HydrophobicContact CE1-CG2 3.38Å; F71-I73 HydrophobicContact CE2-CB 4.43Å; F71-I73 HydrophobicContact CZ-CB 3.64Å; F71-I73 HydrophobicContact CZ-CD1 4.06Å; F71-I73 HydrophobicContact CZ-CG1 4.47Å; F71-I73 HydrophobicContact CZ-CG2 3.52Å; I73-N95 CarbonylContact O-C 3.54Å; I73-N95 WeakPolarHBondContact O-CA 2.98Å; I73-V96 HydrophobicContact CG2-CG1 3.55Å; I73-V96 PolarHBondContact N-O 3.21Å; I73-V96 WeakPolarHBondContact O-CG1 3.48Å; I73-V96 PolarHBondContact O-N 2.86Å; I73-F166 HydrophobicContact CD1-CD1 4.49Å; I73-F166 HydrophobicContact CG2-CD1 4.06Å; I73-F166 HydrophobicContact CG2-CE1 3.63Å; I73-N171 HydrophobicContact CD1-CB 3.62Å
74	R	98.5	Very high	96.7	Very high	112 Å²	112	60.3 Å²	60.3	42%	0.423	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	129.9	175.7	-176.2	65	173.3	-175.8	-0.1	111.5	N95 D114	R74-N95 WeakPolarHBondContact CD-OD1 3.34Å; R74-D114 IonicContact CZ-OD1 3.88Å; R74-D114 IonicContact CZ-OD2 3.65Å; R74-D114 IonicContact NH1-OD1 2.98Å; R74-D114 PolarHBondContact NH1-OD1 2.77Å; R74-D114 IonicContact NH1-OD2 3.89Å; R74-D114 PolarHBondContact NH1-OD2 2.84Å; R74-D114 IonicContact NH2-OD1 3.93Å; R74-D114 IonicContact NH2-OD2 3.83Å; R74-D114 PolarHBondContact NH2-OD2 3Å
75	A	98.6	Very high	96.7	Very high	5 Å²	5	62 Å²	62	4%	0.041	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	166.3	179.7	0	0	0	0	0	113.4	G94 V96 M111 I164 R165 F166	A75-G94 PolarHBondContact N-O 3.09Å; A75-G94 PolarHBondContact O-N 3.23Å; A75-G94 VanDerWaalsContact O-N 3.12Å; A75-G94 VanDerWaalsContact O-O 3.05Å; A75-V96 HydrophobicContact CB-CG1 4.05Å; A75-M111 HydrophobicContact CB-CE 4.32Å; A75-M111 WeakPolarHBondContact O-CE 3.48Å; A75-I164 HydrophobicContact CB-CD1 3.7Å; A75-I164 HydrophobicContact CB-CG1 3.69Å; A75-R165 WeakPolarHBondContact CA-O 3.43Å; A75-F166 HydrophobicContact CB-CD1 3.95Å; A75-F166 HydrophobicContact CB-CE1 3.7Å; A75-F166 HydrophobicContact CB-CZ 4.45Å
76	K	98.5	Very high	96.8	Very high	64 Å²	64	61.7 Å²	61.7	28%	0.278	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.1	165.7	-178.7	178.3	-78.9	-160.5	0	109.3	Y78 E90 T93 I164 R165	K76-Y78 HydrophobicContact CB-CE2 4.34Å; K76-Y78 HydrophobicContact CD-CE1 4.34Å; K76-Y78 HydrophobicContact CD-CE2 3.82Å; K76-Y78 WeakPolarHBondContact CD-OH 3.23Å; K76-Y78 HydrophobicContact CG-CD2 4.46Å; K76-Y78 HydrophobicContact CG-CE2 3.76Å; K76-E90 IonicContact NZ-OE1 2.68Å; K76-E90 PolarHBondContact NZ-OE1 2.94Å; K76-E90 IonicContact NZ-OE2 3.81Å; K76-T93 WeakPolarHBondContact CE-OG1 3.44Å; K76-I164 WeakPolarHBondContact O-CA 3.17Å; K76-R165 PolarHBondContact N-O 2.89Å; K76-R165 PolarHBondContact O-N 3.19Å
77	L	98.5	Very high	96.8	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	138.1	-178.5	-174.8	72.8	0	0	0	110.6	R91 G92 M111 C120 L121 W143 F162 I164	L77-R91 HydrophobicContact CB-CB 4.49Å; L77-R91 HydrophobicContact CD2-CB 4.19Å; L77-R91 HydrophobicContact CD2-CG 3.96Å; L77-R91 HydrophobicContact CG-CB 4.17Å; L77-R91 HydrophobicContact CG-CG 4.47Å; L77-R91 PolarHBondContact O-N 3.07Å; L77-G92 PolarHBondContact N-O 3.39Å; L77-G92 PolarHBondContact O-N 3.41Å; L77-M111 HydrophobicContact CB-CE 4.19Å; L77-M111 HydrophobicContact CB-SD 3.74Å; L77-M111 HydrophobicContact CD2-SD 4.26Å; L77-C120 VanDerWaalsContact CD2-O 3.26Å; L77-C120 WeakPolarHBondContact CD2-O 3.38Å; L77-L121 HydrophobicContact CD1-CD2 4.42Å; L77-L121 HydrophobicContact CD2-CB 3.79Å; L77-L121 HydrophobicContact CD2-CD1 4.26Å; L77-L121 HydrophobicContact CD2-CD2 4.48Å; L77-L121 HydrophobicContact CD2-CG 4.42Å; L77-W143 HydrophobicContact CD1-CH2 3.91Å; L77-F162 HydrophobicContact CD1-CB 4.15Å; L77-F162 HydrophobicContact CD1-CD1 4.05Å; L77-F162 HydrophobicContact CD1-CG 4.28Å; L77-F162 HydrophobicContact CD2-CD1 4.31Å; L77-F162 HydrophobicContact CD2-CE1 4.36Å; L77-F162 HydrophobicContact CG-CD1 4.26Å; L77-I164 HydrophobicContact CD1-CB 4.24Å; L77-I164 HydrophobicContact CD1-CG1 4.49Å
78	Y	97.9	Very high	96.8	Very high	46 Å²	46	65 Å²	65	18%	0.18	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	150.7	175.4	-59.8	-97.7	0	0	0	109.5	K76 W88 K89 E90 F162 A163 R165	K76-Y78 HydrophobicContact CB-CE2 4.34Å; K76-Y78 HydrophobicContact CD-CE1 4.34Å; K76-Y78 HydrophobicContact CD-CE2 3.82Å; K76-Y78 WeakPolarHBondContact CD-OH 3.23Å; K76-Y78 HydrophobicContact CG-CD2 4.46Å; K76-Y78 HydrophobicContact CG-CE2 3.76Å; Y78-W88 HydrophobicContact CD1-CB 4.43Å; Y78-K89 CarbonylContact C-O 3.56Å; Y78-K89 VanDerWaalsContact CA-O 3.3Å; Y78-K89 WeakPolarHBondContact CA-O 3.45Å; Y78-E90 HydrophobicContact CD1-CG 4.01Å; Y78-E90 HydrophobicContact CE1-CG 3.62Å; Y78-F162 WeakPolarHBondContact O-CA 3.36Å; Y78-A163 PolarHBondContact N-O 3.17Å; Y78-A163 PolarHBondContact O-N 3.11Å; Y78-R165 HydrophobicContact CE2-CB 4.16Å
79	R	96.8	Very high	96.8	Very high	58 Å²	58	64.8 Å²	64.8	22%	0.219	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	141.1	169.5	172.6	-179.9	72.1	161.2	17.5	108.8	D81 K89 R91 E160	R79-D81 IonicContact NH2-OD2 3.09Å; R79-K89 PolarHBondContact N-O 3.33Å; R79-K89 PolarHBondContact O-N 3.28Å; R79-R91 HydrophobicContact CB-CB 4.33Å; R79-R91 VanDerWaalsContact NH1-NH1 3.12Å; R79-E160 WeakPolarHBondContact CD-OE1 3.41Å; R79-E160 WeakPolarHBondContact CD-OE2 3.07Å; R79-E160 WeakPolarHBondContact CG-OE2 3.41Å; R79-E160 IonicContact CZ-OE1 3.12Å; R79-E160 IonicContact NE-OE1 2.74Å; R79-E160 IonicContact NH1-OE1 2.75Å; R79-E160 PolarHBondContact NH1-OE1 3.12Å
80	F	96.9	Very high	96.7	Very high	64 Å²	64	67.2 Å²	67.2	28%	0.281	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	118.7	169.3	-163.4	-113.4	0	0	0	110	T82 P86 W88 L161	F80-T82 HydrophobicContact CD1-CG2 4.03Å; F80-T82 HydrophobicContact CE1-CG2 3.89Å; F80-P86 HydrophobicContact CE1-CB 4.01Å; F80-P86 HydrophobicContact CE2-CB 4.26Å; F80-P86 HydrophobicContact CZ-CB 3.47Å; F80-P86 VanDerWaalsContact CZ-CB 3.47Å; F80-W88 HydrophobicContact CB-CD2 4.48Å; F80-W88 HydrophobicContact CB-CE3 3.98Å; F80-W88 HydrophobicContact CB-CH2 4Å; F80-W88 HydrophobicContact CB-CZ2 4.48Å; F80-W88 HydrophobicContact CB-CZ3 3.72Å; F80-W88 AromaticContact CD2-CD2 3.86Å; F80-W88 HydrophobicContact CD2-CD2 3.86Å; F80-W88 AromaticContact CD2-CE2 3.72Å; F80-W88 HydrophobicContact CD2-CE3 4.21Å; F80-W88 HydrophobicContact CD2-CG 4.29Å; F80-W88 HydrophobicContact CD2-CH2 4.35Å; F80-W88 HydrophobicContact CD2-CZ2 4Å; F80-W88 HydrophobicContact CD2-CZ3 4.44Å; F80-L161 HydrophobicContact CB-CB 3.88Å; F80-L161 HydrophobicContact CB-CD2 3.8Å; F80-L161 HydrophobicContact CB-CG 3.97Å; F80-L161 HydrophobicContact CD1-CD2 3.94Å; F80-L161 HydrophobicContact CG-CD2 3.92Å; F80-L161 PolarHBondContact N-O 3.17Å
81	D	95.7	Very high	96.7	Very high	27 Å²	27	65.8 Å²	65.8	14%	0.144	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	137	174.1	-157	-30	0	0	0	108.9	R79 D83 P86 Q87 K89	R79-D81 IonicContact NH2-OD2 3.09Å; D81-D83 PolarHBondContact OD1-N 3.45Å; D81-P86 CarbonylContact O-C 3.47Å; D81-P86 VanDerWaalsContact O-CA 3.32Å; D81-P86 WeakPolarHBondContact O-CA 3.21Å; D81-Q87 PolarHBondContact N-O 3.46Å; D81-Q87 PolarHBondContact O-N 2.95Å; D81-K89 HydrophobicContact CB-CD 3.71Å; D81-K89 HydrophobicContact CB-CG 4.03Å; D81-K89 VanDerWaalsContact CG-NZ 3.26Å; D81-K89 IonicContact OD1-NZ 2.72Å; D81-K89 VanDerWaalsContact OD2-CD 3.32Å; D81-K89 WeakPolarHBondContact OD2-CD 3.27Å; D81-K89 VanDerWaalsContact OD2-CE 3.27Å; D81-K89 WeakPolarHBondContact OD2-CE 3.48Å; D81-K89 IonicContact OD2-NZ 2.72Å; D81-K89 PolarHBondContact OD2-NZ 3.08Å
82	T	94.8	Very high	96.7	Very high	97 Å²	97	65.3 Å²	65.3	60%	0.595	33%	0.328	S	S	*	.			trans	-102.5	-9.5	179.6	53.6	0	0	0	0	113	F80 S85	F80-T82 HydrophobicContact CD1-CG2 4.03Å; F80-T82 HydrophobicContact CE1-CG2 3.89Å; T82-S85 CarbonylContact O-C 3.57Å; T82-S85 PolarHBondContact O-N 2.93Å
83	D	92.7	Very high	96.7	Very high	118 Å²	118	62.5 Å²	62.5	63%	0.631	32%	0.318	S	S	*	.	S	Bend	trans	-116.3	124.6	-176.2	-173.9	20.6	0	0	0	110.7	D81 K89	D81-D83 PolarHBondContact OD1-N 3.45Å; D83-K89 PolarHBondContact O-NZ 3.39Å
84	P	93.4	Very high	96.7	Very high	111 Å²	111	61.6 Å²	61.6	72%	0.721	31%	0.313	S	S	*	.	S	Bend	cis	-80.7	-11.5	0.7	34	-37.3	0	0	0	115
85	S	93.9	Very high	96.7	Very high	56 Å²	56	59.2 Å²	59.2	39%	0.392	31%	0.309	S	S	.	.	S	Bend	trans	-148.4	157.4	176.9	60.8	0	0	0	0	110.2	T82 Q87	T82-S85 CarbonylContact O-C 3.57Å; T82-S85 PolarHBondContact O-N 2.93Å; S85-Q87 PolarHBondContact O-N 3.16Å; S85-Q87 VanDerWaalsContact O-N 3.11Å
86	P	96	Very high	96.7	Very high	96 Å²	96	59 Å²	59	62%	0.623	31%	0.307	S	S	*	.	S	Bend	trans	-64.1	112.1	180	-19.8	32.1	0	0	0	112	F80 D81	F80-P86 HydrophobicContact CE1-CB 4.01Å; F80-P86 HydrophobicContact CE2-CB 4.26Å; F80-P86 HydrophobicContact CZ-CB 3.47Å; F80-P86 VanDerWaalsContact CZ-CB 3.47Å; D81-P86 CarbonylContact O-C 3.47Å; D81-P86 VanDerWaalsContact O-CA 3.32Å; D81-P86 WeakPolarHBondContact O-CA 3.21Å
87	Q	96.4	Very high	96.7	Very high	82 Å²	82	57.9 Å²	57.9	38%	0.383	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	150.3	179.8	61.9	174.7	79.6	0	0	112.4	D81 S85 K89	D81-Q87 PolarHBondContact N-O 3.46Å; D81-Q87 PolarHBondContact O-N 2.95Å; S85-Q87 PolarHBondContact O-N 3.16Å; S85-Q87 VanDerWaalsContact O-N 3.11Å; Q87-K89 HydrophobicContact CG-CG 4.23Å
88	W	96.4	Very high	96.7	Very high	79 Å²	79	57.9 Å²	57.9	30%	0.299	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	124.1	168.1	-67.4	102.6	0	0	0	110	Y78 F80 M134 V142 L161 A163	Y78-W88 HydrophobicContact CD1-CB 4.43Å; F80-W88 HydrophobicContact CB-CD2 4.48Å; F80-W88 HydrophobicContact CB-CE3 3.98Å; F80-W88 HydrophobicContact CB-CH2 4Å; F80-W88 HydrophobicContact CB-CZ2 4.48Å; F80-W88 HydrophobicContact CB-CZ3 3.72Å; F80-W88 AromaticContact CD2-CD2 3.86Å; F80-W88 HydrophobicContact CD2-CD2 3.86Å; F80-W88 AromaticContact CD2-CE2 3.72Å; F80-W88 HydrophobicContact CD2-CE3 4.21Å; F80-W88 HydrophobicContact CD2-CG 4.29Å; F80-W88 HydrophobicContact CD2-CH2 4.35Å; F80-W88 HydrophobicContact CD2-CZ2 4Å; F80-W88 HydrophobicContact CD2-CZ3 4.44Å; W88-M134 HydrophobicContact CZ2-CE 4.41Å; W88-M134 HydrophobicContact CZ2-SD 4.2Å; W88-M134 VanDerWaalsContact NE1-CE 3.35Å; W88-V142 HydrophobicContact CH2-CG1 4.01Å; W88-V142 HydrophobicContact CH2-CG2 4.46Å; W88-V142 HydrophobicContact CZ2-CG1 4.4Å; W88-V142 HydrophobicContact CZ2-CG2 4.44Å; W88-L161 HydrophobicContact CH2-CD2 4.28Å; W88-L161 HydrophobicContact CH2-CG 3.98Å; W88-L161 WeakPolarHBondContact CZ3-O 3.43Å; W88-A163 HydrophobicContact CD2-CB 4.39Å; W88-A163 HydrophobicContact CE3-CB 3.89Å; W88-A163 HydrophobicContact CH2-CB 3.65Å; W88-A163 HydrophobicContact CZ2-CB 4.17Å; W88-A163 HydrophobicContact CZ3-CB 3.49Å; W88-A163 VanDerWaalsContact CZ3-CB 3.49Å
89	K	96.8	Very high	96.7	Very high	68 Å²	68	55.8 Å²	55.8	30%	0.296	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	139.4	171.7	-65.3	-174.9	-173.2	166.3	0	109.4	Y78 R79 D81 D83 Q87 R91	Y78-K89 CarbonylContact C-O 3.56Å; Y78-K89 VanDerWaalsContact CA-O 3.3Å; Y78-K89 WeakPolarHBondContact CA-O 3.45Å; R79-K89 PolarHBondContact N-O 3.33Å; R79-K89 PolarHBondContact O-N 3.28Å; D81-K89 HydrophobicContact CB-CD 3.71Å; D81-K89 HydrophobicContact CB-CG 4.03Å; D81-K89 VanDerWaalsContact CG-NZ 3.26Å; D81-K89 IonicContact OD1-NZ 2.72Å; D81-K89 VanDerWaalsContact OD2-CD 3.32Å; D81-K89 WeakPolarHBondContact OD2-CD 3.27Å; D81-K89 VanDerWaalsContact OD2-CE 3.27Å; D81-K89 WeakPolarHBondContact OD2-CE 3.48Å; D81-K89 IonicContact OD2-NZ 2.72Å; D81-K89 PolarHBondContact OD2-NZ 3.08Å; D83-K89 PolarHBondContact O-NZ 3.39Å; Q87-K89 HydrophobicContact CG-CG 4.23Å; K89-R91 PolarHBondContact O-N 3.12Å
90	E	97.1	Very high	96.8	Very high	124 Å²	124	54.4 Å²	54.4	58%	0.579	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.3	129.5	174.4	-65.5	-161.6	158.2	0	0	109.9	K76 Y78	K76-E90 IonicContact NZ-OE1 2.68Å; K76-E90 PolarHBondContact NZ-OE1 2.94Å; K76-E90 IonicContact NZ-OE2 3.81Å; Y78-E90 HydrophobicContact CD1-CG 4.01Å; Y78-E90 HydrophobicContact CE1-CG 3.62Å
91	R	96.8	Very high	96.8	Very high	35 Å²	35	53 Å²	53	13%	0.132	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	-37.9	-179.8	-174.4	65.5	175.6	-156.2	-0.3	111.5	L77 R79 K89 R113 C120 S150 E160	L77-R91 HydrophobicContact CB-CB 4.49Å; L77-R91 HydrophobicContact CD2-CB 4.19Å; L77-R91 HydrophobicContact CD2-CG 3.96Å; L77-R91 HydrophobicContact CG-CB 4.17Å; L77-R91 HydrophobicContact CG-CG 4.47Å; L77-R91 PolarHBondContact O-N 3.07Å; R79-R91 HydrophobicContact CB-CB 4.33Å; R79-R91 VanDerWaalsContact NH1-NH1 3.12Å; K89-R91 PolarHBondContact O-N 3.12Å; R91-R113 VanDerWaalsContact O-CZ 3.27Å; R91-R113 PolarHBondContact O-NE 3.1Å; R91-R113 PolarHBondContact O-NH2 3.03Å; R91-C120 HydrophobicContact CG-CB 4.27Å; R91-S150 PolarHBondContact NH2-OG 2.59Å; R91-E160 IonicContact NH1-OE1 2.66Å
92	G	97.7	Very high	96.9	Very high	9 Å²	9	55.4 Å²	55.4	9%	0.093	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.4	155.1	178.4	0	0	0	0	0	113.8	L77	L77-G92 PolarHBondContact N-O 3.39Å; L77-G92 PolarHBondContact O-N 3.41Å
93	T	98.6	Very high	96.9	Very high	43 Å²	43	57 Å²	57	26%	0.264	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.5	169	-57.1	0	0	0	0	107.9	K76 R113 D114	K76-T93 WeakPolarHBondContact CE-OG1 3.44Å; T93-R113 CarbonylContact O-C 3.56Å; T93-R113 WeakPolarHBondContact O-CA 3.45Å; T93-D114 PolarHBondContact O-N 2.86Å
94	G	98.5	Very high	97	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.6	-171.8	-169.4	0	0	0	0	0	113	A75 M111 R112	A75-G94 PolarHBondContact N-O 3.09Å; A75-G94 PolarHBondContact O-N 3.23Å; A75-G94 VanDerWaalsContact O-N 3.12Å; A75-G94 VanDerWaalsContact O-O 3.05Å; G94-M111 VanDerWaalsContact N-CE 3.31Å; G94-R112 WeakPolarHBondContact CA-O 3.25Å
95	N	98.4	Very high	97.1	Very high	62 Å²	62	53 Å²	53	33%	0.332	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	124.7	170.8	-66.1	-7.1	0	0	0	109.3	E72 I73 R74	E72-N95 HydrophobicContact CG-CB 3.93Å; E72-N95 WeakPolarHBondContact OE1-CB 3.45Å; E72-N95 PolarHBondContact OE1-ND2 3.49Å; I73-N95 CarbonylContact O-C 3.54Å; I73-N95 WeakPolarHBondContact O-CA 2.98Å; R74-N95 WeakPolarHBondContact CD-OD1 3.34Å
96	V	98.5	Very high	97.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	132	168.2	62.4	0	0	0	0	108.2	E72 I73 A75 F98 V109 M111 L121 I164 F166 F175	E72-V96 WeakPolarHBondContact CA-O 3.39Å; I73-V96 HydrophobicContact CG2-CG1 3.55Å; I73-V96 PolarHBondContact N-O 3.21Å; I73-V96 WeakPolarHBondContact O-CG1 3.48Å; I73-V96 PolarHBondContact O-N 2.86Å; A75-V96 HydrophobicContact CB-CG1 4.05Å; V96-F98 HydrophobicContact CG2-CE1 4.48Å; V96-V109 HydrophobicContact CG2-CG2 3.4Å; V96-V109 VanDerWaalsContact CG2-CG2 3.4Å; V96-M111 HydrophobicContact CB-CB 4.35Å; V96-M111 HydrophobicContact CB-CG 4.22Å; V96-M111 HydrophobicContact CB-SD 4.32Å; V96-M111 HydrophobicContact CG2-CB 4.42Å; V96-L121 HydrophobicContact CG2-CD2 4.44Å; V96-I164 HydrophobicContact CB-CD1 4.19Å; V96-I164 HydrophobicContact CG1-CD1 3.98Å; V96-I164 HydrophobicContact CG2-CD1 4.28Å; V96-F166 HydrophobicContact CG1-CE1 4.33Å; V96-F175 HydrophobicContact CG1-CD2 4.18Å; V96-F175 HydrophobicContact CG1-CE2 4.02Å; V96-F175 HydrophobicContact CG2-CE2 4.16Å
97	R	98.4	Very high	97.3	Very high	41 Å²	41	50.6 Å²	50.6	16%	0.155	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.1	-177.5	-69	179.1	-66.7	150.9	5.9	110.6	E64 T69 F71 E72 L99 V109 V110	E64-R97 VanDerWaalsContact CD-NH2 3.26Å; E64-R97 IonicContact OE1-NH2 2.65Å; E64-R97 PolarHBondContact OE1-NH2 3.43Å; E64-R97 VanDerWaalsContact OE1-NH2 3.08Å; E64-R97 IonicContact OE2-CZ 2.68Å; E64-R97 IonicContact OE2-NH1 3.14Å; E64-R97 PolarHBondContact OE2-NH1 3.34Å; E64-R97 IonicContact OE2-NH2 3.88Å; E64-R97 PolarHBondContact OE2-NH2 2.95Å; T69-R97 HydrophobicContact CG2-CG 4.37Å; F71-R97 CarbonylContact O-C 3.55Å; F71-R97 VanDerWaalsContact O-CA 3.23Å; F71-R97 WeakPolarHBondContact O-CA 3.37Å; E72-R97 HydrophobicContact CB-CG 4Å; E72-R97 HydrophobicContact CG-CG 3.71Å; R97-L99 HydrophobicContact CB-CD2 3.99Å; R97-L99 HydrophobicContact CB-CG 4.34Å; R97-V109 WeakPolarHBondContact O-CA 3.47Å; R97-V110 PolarHBondContact N-O 3.12Å; R97-V110 PolarHBondContact O-N 2.96Å
98	F	98.5	Very high	97.4	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	121.2	164.8	-57.7	-21.5	0	0	0	108.3	L70 F71 V96 I107 R108 V109 I125 F175 E178 F179	L70-F98 HydrophobicContact CB-CB 4.45Å; L70-F98 PolarHBondContact N-O 3.4Å; F71-F98 HydrophobicContact CB-CB 4.15Å; F71-F98 HydrophobicContact CB-CD2 3.62Å; F71-F98 HydrophobicContact CB-CE2 4.29Å; F71-F98 HydrophobicContact CB-CG 4.09Å; F71-F98 AromaticContact CD1-CD2 3.74Å; F71-F98 HydrophobicContact CD1-CD2 3.74Å; F71-F98 AromaticContact CD1-CE2 3.62Å; F71-F98 HydrophobicContact CD1-CE2 3.62Å; F71-F98 HydrophobicContact CD1-CG 4.23Å; F71-F98 HydrophobicContact CD1-CZ 4.03Å; F71-F98 HydrophobicContact CE1-CE2 4.28Å; F71-F98 HydrophobicContact CE1-CZ 4.43Å; F71-F98 HydrophobicContact CG-CD2 4Å; F71-F98 HydrophobicContact CG-CE2 4.18Å; F71-F98 PolarHBondContact O-N 3.24Å; V96-F98 HydrophobicContact CG2-CE1 4.48Å; F98-I107 HydrophobicContact CB-CG2 4.2Å; F98-R108 WeakPolarHBondContact CA-O 3.45Å; F98-V109 HydrophobicContact CD1-CB 3.99Å; F98-V109 HydrophobicContact CD1-CG2 3.88Å; F98-V109 HydrophobicContact CE1-CB 4.1Å; F98-V109 HydrophobicContact CE1-CG2 3.75Å; F98-I125 HydrophobicContact CB-CD1 4.37Å; F98-I125 HydrophobicContact CD1-CD1 3.64Å; F98-I125 HydrophobicContact CD2-CD1 4.27Å; F98-I125 HydrophobicContact CE1-CD1 3.94Å; F98-I125 HydrophobicContact CG-CD1 3.83Å; F98-I125 HydrophobicContact CZ-CD1 4.38Å; F98-F175 HydrophobicContact CE1-CD2 4.39Å; F98-F175 AromaticContact CE1-CE2 3.69Å; F98-F175 HydrophobicContact CE1-CE2 3.69Å; F98-F175 HydrophobicContact CE1-CZ 4.19Å; F98-F175 AromaticContact CZ-CD2 3.82Å; F98-F175 HydrophobicContact CZ-CD2 3.82Å; F98-F175 AromaticContact CZ-CE2 3.46Å; F98-F175 HydrophobicContact CZ-CE2 3.46Å; F98-F175 VanDerWaalsContact CZ-CE2 3.46Å; F98-F175 AromaticContact CZ-CZ 3.95Å; F98-F175 HydrophobicContact CZ-CZ 3.95Å; F98-E178 HydrophobicContact CD2-CB 4.24Å; F98-E178 HydrophobicContact CE2-CB 3.83Å; F98-F179 HydrophobicContact CE1-CD2 4.17Å; F98-F179 HydrophobicContact CE2-CB 4.19Å; F98-F179 HydrophobicContact CZ-CB 4.02Å; F98-F179 AromaticContact CZ-CD2 3.83Å; F98-F179 HydrophobicContact CZ-CD2 3.83Å; F98-F179 HydrophobicContact CZ-CG 4.43Å
99	L	98.4	Very high	97.4	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.1	-174.2	-57.1	-177.2	0	0	0	108.8	E64 E67 D68 T69 R97 I107 R108 V110	E64-L99 HydrophobicContact CB-CD1 4.34Å; E64-L99 HydrophobicContact CG-CD1 4.04Å; E67-L99 HydrophobicContact CB-CB 3.94Å; E67-L99 HydrophobicContact CG-CB 4.46Å; E67-L99 VanDerWaalsContact OE2-CD1 3.22Å; E67-L99 WeakPolarHBondContact OE2-CD1 3.37Å; D68-L99 WeakPolarHBondContact O-CA 3.49Å; T69-L99 HydrophobicContact CG2-CD2 4.38Å; T69-L99 WeakPolarHBondContact OG1-CD2 3.48Å; R97-L99 HydrophobicContact CB-CD2 3.99Å; R97-L99 HydrophobicContact CB-CG 4.34Å; L99-I107 CarbonylContact O-C 3.51Å; L99-I107 VanDerWaalsContact O-CA 3.25Å; L99-I107 WeakPolarHBondContact O-CA 3.38Å; L99-R108 HydrophobicContact CB-CG 4.24Å; L99-R108 PolarHBondContact N-O 3.01Å; L99-R108 PolarHBondContact O-N 3.32Å; L99-V110 HydrophobicContact CD1-CB 4.01Å; L99-V110 HydrophobicContact CD1-CG2 3.81Å
100	E	98.2	Very high	97.5	Very high	29 Å²	29	42.1 Å²	42.1	14%	0.136	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	119.5	175.8	-171.2	-179.1	-86.9	0	0	109.4	E67 D68 L70 I107 K185	E67-E100 CarbonylContact C-O 3.6Å; E67-E100 WeakPolarHBondContact CA-O 3.34Å; D68-E100 PolarHBondContact N-O 2.83Å; D68-E100 PolarHBondContact O-N 2.87Å; L70-E100 HydrophobicContact CD1-CB 3.83Å; L70-E100 HydrophobicContact CD1-CG 4.46Å; L70-E100 HydrophobicContact CD2-CB 4.18Å; L70-E100 HydrophobicContact CG-CB 3.91Å; E100-I107 HydrophobicContact CB-CG1 4.01Å; E100-I107 HydrophobicContact CG-CG1 3.9Å; E100-K185 IonicContact OE1-NZ 2.59Å; E100-K185 PolarHBondContact OE1-NZ 2.88Å
101	D	97.6	Very high	97.6	Very high	33 Å²	33	36.2 Å²	36.2	18%	0.176	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	132.6	176.2	175.8	-108.7	0	0	0	111.5	N66 E67 D103 S104 K105 R106	N66-D101 PolarHBondContact ND2-OD2 2.91Å; E67-D101 HydrophobicContact CG-CB 4.35Å; D101-D103 VanDerWaalsContact C-N 3.28Å; D101-D103 PolarHBondContact O-N 3.04Å; D101-D103 PolarHBondContact OD1-N 2.65Å; D101-S104 WeakPolarHBondContact CB-OG 3.4Å; D101-S104 VanDerWaalsContact OD1-CB 3.27Å; D101-S104 WeakPolarHBondContact OD1-CB 3.22Å; D101-S104 PolarHBondContact OD1-N 3.29Å; D101-S104 PolarHBondContact OD1-OG 3.32Å; D101-K105 WeakPolarHBondContact O-CA 3.47Å; D101-K105 PolarHBondContact O-N 2.9Å; D101-R106 PolarHBondContact N-O 3.16Å
102	K	97	Very high	97.6	Very high	79 Å²	79	37.4 Å²	37.4	34%	0.343	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-32.2	-172.8	-75.5	167.6	-174	163.7	0	112.8	E65 N66 D68 K105	E65-K102 PolarHBondContact O-NZ 3.47Å; N66-K102 WeakPolarHBondContact O-CB 3.11Å; N66-K102 WeakPolarHBondContact O-CD 3.4Å; N66-K102 VanDerWaalsContact O-CG 3.23Å; N66-K102 WeakPolarHBondContact O-CG 3.29Å; N66-K102 PolarHBondContact O-N 2.91Å; D68-K102 VanDerWaalsContact CG-CE 3.49Å; D68-K102 WeakPolarHBondContact OD1-CE 3.49Å; D68-K102 IonicContact OD1-NZ 3.59Å; K102-K105 VanDerWaalsContact O-CE 3.26Å; K102-K105 WeakPolarHBondContact O-CE 3.23Å; K102-K105 PolarHBondContact O-NZ 3.37Å
103	D	95.4	Very high	97.6	Very high	130 Å²	130	40.1 Å²	40.1	70%	0.695	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-57.2	-175.6	-61.8	-48.8	0	0	0	112	N66 D101	N66-D103 PolarHBondContact ND2-OD2 3.4Å; D101-D103 VanDerWaalsContact C-N 3.28Å; D101-D103 PolarHBondContact O-N 3.04Å; D101-D103 PolarHBondContact OD1-N 2.65Å
104	S	94.5	Very high	97.6	Very high	51 Å²	51	41.3 Å²	41.3	36%	0.357	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-14.9	-175.9	69.3	0	0	0	0	113.8	D101 R106	D101-S104 WeakPolarHBondContact CB-OG 3.4Å; D101-S104 VanDerWaalsContact OD1-CB 3.27Å; D101-S104 WeakPolarHBondContact OD1-CB 3.22Å; D101-S104 PolarHBondContact OD1-N 3.29Å; D101-S104 PolarHBondContact OD1-OG 3.32Å; S104-R106 PolarHBondContact O-N 3.23Å; S104-R106 PolarHBondContact OG-N 3.34Å
105	K	95.6	Very high	97.4	Very high	93 Å²	93	50.9 Å²	50.9	40%	0.404	23%	0.234	S	C	.	.			trans	60.3	5.4	-172.1	-55.9	-52.3	-172.5	-167.7	0	114.8	D101 K102 I189	D101-K105 WeakPolarHBondContact O-CA 3.47Å; D101-K105 PolarHBondContact O-N 2.9Å; K102-K105 VanDerWaalsContact O-CE 3.26Å; K102-K105 WeakPolarHBondContact O-CE 3.23Å; K102-K105 PolarHBondContact O-NZ 3.37Å; K105-I189 VanDerWaalsContact C-CD1 3.46Å; K105-I189 HydrophobicContact CB-CD1 3.66Å; K105-I189 HydrophobicContact CB-CG1 4.34Å; K105-I189 WeakPolarHBondContact O-CD1 3.41Å
106	R	96.2	Very high	97.3	Very high	103 Å²	103	52 Å²	52	39%	0.389	24%	0.243	S	C	.	.			trans	-70.5	140.4	180	-66.5	-178	177.8	-144.3	-2.6	109.8	D101 S104 I189	D101-R106 PolarHBondContact N-O 3.16Å; S104-R106 PolarHBondContact O-N 3.23Å; S104-R106 PolarHBondContact OG-N 3.34Å; R106-I189 HydrophobicContact CG-CG2 4.26Å
107	I	98.1	Very high	97	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.4	-177.3	-54.5	166.6	0	0	0	110	L70 F98 L99 E100 I125 C182 K185 N186	L70-I107 HydrophobicContact CD1-CD1 3.65Å; L70-I107 HydrophobicContact CD1-CG1 4.06Å; L70-I107 HydrophobicContact CD1-CG2 4.35Å; F98-I107 HydrophobicContact CB-CG2 4.2Å; L99-I107 CarbonylContact O-C 3.51Å; L99-I107 VanDerWaalsContact O-CA 3.25Å; L99-I107 WeakPolarHBondContact O-CA 3.38Å; E100-I107 HydrophobicContact CB-CG1 4.01Å; E100-I107 HydrophobicContact CG-CG1 3.9Å; I107-I125 HydrophobicContact CG2-CD1 3.96Å; I107-I125 PolarHBondContact O-N 2.69Å; I107-I125 VanDerWaalsContact O-N 3.1Å; I107-C182 HydrophobicContact CB-CB 4.44Å; I107-C182 HydrophobicContact CD1-CB 3.95Å; I107-C182 HydrophobicContact CG2-CB 3.99Å; I107-K185 HydrophobicContact CD1-CB 3.8Å; I107-K185 HydrophobicContact CD1-CD 3.56Å; I107-K185 HydrophobicContact CD1-CG 4.36Å; I107-N186 PolarHBondContact N-OD1 3.4Å; I107-N186 PolarHBondContact O-ND2 3.08Å
108	R	97.8	Very high	96.9	Very high	47 Å²	47	62 Å²	62	18%	0.177	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	158.6	171.5	64	172.3	178.9	177	-3.6	111.8	N63 E67 F98 L99 V110 H123	N63-R108 PolarHBondContact O-NH2 2.97Å; E67-R108 VanDerWaalsContact CD-NE 3.31Å; E67-R108 VanDerWaalsContact CD-NH2 3.28Å; E67-R108 IonicContact OE1-CZ 3.08Å; E67-R108 IonicContact OE1-NE 3.28Å; E67-R108 PolarHBondContact OE1-NE 2.75Å; E67-R108 IonicContact OE1-NH2 3.2Å; E67-R108 PolarHBondContact OE1-NH2 2.66Å; E67-R108 IonicContact OE2-CZ 2.69Å; E67-R108 VanDerWaalsContact OE2-CZ 3.28Å; E67-R108 IonicContact OE2-NE 2.82Å; E67-R108 PolarHBondContact OE2-NE 2.82Å; E67-R108 VanDerWaalsContact OE2-NE 3.09Å; E67-R108 IonicContact OE2-NH2 2.75Å; E67-R108 PolarHBondContact OE2-NH2 3.37Å; F98-R108 WeakPolarHBondContact CA-O 3.45Å; L99-R108 HydrophobicContact CB-CG 4.24Å; L99-R108 PolarHBondContact N-O 3.01Å; L99-R108 PolarHBondContact O-N 3.32Å; R108-V110 HydrophobicContact CG-CG2 4.06Å; R108-H123 WeakPolarHBondContact CA-O 3.38Å; R108-H123 WeakPolarHBondContact CB-O 3.41Å
109	V	98.3	Very high	96.8	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130.1	168.7	59.6	0	0	0	0	109.2	V96 R97 F98 L121 N122 H123 I125	V96-V109 HydrophobicContact CG2-CG2 3.4Å; V96-V109 VanDerWaalsContact CG2-CG2 3.4Å; R97-V109 WeakPolarHBondContact O-CA 3.47Å; F98-V109 HydrophobicContact CD1-CB 3.99Å; F98-V109 HydrophobicContact CD1-CG2 3.88Å; F98-V109 HydrophobicContact CE1-CB 4.1Å; F98-V109 HydrophobicContact CE1-CG2 3.75Å; V109-L121 HydrophobicContact CG1-CD2 4.07Å; V109-L121 HydrophobicContact CG1-CG 4.21Å; V109-L121 HydrophobicContact CG2-CD2 3.62Å; V109-L121 HydrophobicContact CG2-CG 4.39Å; V109-N122 WeakPolarHBondContact O-CA 3.33Å; V109-H123 WeakPolarHBondContact CG1-CE1 3.35Å; V109-H123 WeakPolarHBondContact CG1-NE2 3.44Å; V109-H123 WeakPolarHBondContact CG1-O 3.41Å; V109-H123 PolarHBondContact N-O 3.09Å; V109-H123 PolarHBondContact O-N 3.25Å; V109-I125 HydrophobicContact CB-CD1 4.26Å; V109-I125 HydrophobicContact CB-CG1 4.12Å; V109-I125 HydrophobicContact CG1-CG1 4.34Å
110	V	98.1	Very high	96.8	Very high	3 Å²	3	63.2 Å²	63.2	2%	0.018	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	134.9	176.5	178.3	0	0	0	0	109.6	R97 L99 R108 L121	R97-V110 PolarHBondContact N-O 3.12Å; R97-V110 PolarHBondContact O-N 2.96Å; L99-V110 HydrophobicContact CD1-CB 4.01Å; L99-V110 HydrophobicContact CD1-CG2 3.81Å; R108-V110 HydrophobicContact CG-CG2 4.06Å; V110-L121 WeakPolarHBondContact CA-O 3Å
111	M	98.4	Very high	96.8	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	134.1	172.2	-168.8	-178.7	173.2	0	0	109.8	A75 L77 G94 V96 C120 L121	A75-M111 HydrophobicContact CB-CE 4.32Å; A75-M111 WeakPolarHBondContact O-CE 3.48Å; L77-M111 HydrophobicContact CB-CE 4.19Å; L77-M111 HydrophobicContact CB-SD 3.74Å; L77-M111 HydrophobicContact CD2-SD 4.26Å; G94-M111 VanDerWaalsContact N-CE 3.31Å; V96-M111 HydrophobicContact CB-CB 4.35Å; V96-M111 HydrophobicContact CB-CG 4.22Å; V96-M111 HydrophobicContact CB-SD 4.32Å; V96-M111 HydrophobicContact CG2-CB 4.42Å; M111-C120 PolarHBondContact O-N 2.72Å; M111-C120 PolarHBondContact O-SG 2.74Å; M111-C120 VanDerWaalsContact O-SG 3.36Å; M111-L121 HydrophobicContact CB-CB 3.7Å; M111-L121 HydrophobicContact CB-CD2 4.45Å; M111-L121 PolarHBondContact N-O 3.29Å; M111-L121 PolarHBondContact O-N 2.9Å
112	R	97.7	Very high	96.8	Very high	61 Å²	61	61.8 Å²	61.8	23%	0.23	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	142.6	176.7	-67.9	179	179.4	-87.4	1.1	110.1	T62 E64 G94 L117 K118 V119	T62-R112 PolarHBondContact O-NH2 2.92Å; E64-R112 IonicContact OE1-CZ 3.67Å; E64-R112 IonicContact OE1-NE 2.69Å; E64-R112 PolarHBondContact OE1-NE 2.75Å; E64-R112 IonicContact OE1-NH2 3.33Å; E64-R112 PolarHBondContact OE1-NH2 2.88Å; G94-R112 WeakPolarHBondContact CA-O 3.25Å; R112-L117 PolarHBondContact NH1-O 2.82Å; R112-K118 WeakPolarHBondContact CA-O 3.34Å; R112-V119 HydrophobicContact CG-CG2 4.33Å
113	R	97.8	Very high	96.8	Very high	66 Å²	66	58.2 Å²	58.2	25%	0.249	28%	0.278	C	S	.	.			trans	-71.1	143.2	176.8	-63.4	-177.7	-174.1	91.9	-2.6	110.9	R91 T93 T116 L117 K118 V119 C120	R91-R113 VanDerWaalsContact O-CZ 3.27Å; R91-R113 PolarHBondContact O-NE 3.1Å; R91-R113 PolarHBondContact O-NH2 3.03Å; T93-R113 CarbonylContact O-C 3.56Å; T93-R113 WeakPolarHBondContact O-CA 3.45Å; R113-T116 WeakPolarHBondContact CB-OG1 3.4Å; R113-L117 WeakPolarHBondContact O-CA 3.44Å; R113-L117 PolarHBondContact O-N 2.92Å; R113-K118 PolarHBondContact N-O 2.69Å; R113-V119 PolarHBondContact NH1-O 2.73Å; R113-C120 HydrophobicContact CG-CB 3.95Å
114	D	97.6	Very high	96.9	Very high	68 Å²	68	57 Å²	57	36%	0.364	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	148.1	171	-62.6	-40.9	0	0	0	112.2	R74 T93 T116	R74-D114 IonicContact CZ-OD1 3.88Å; R74-D114 IonicContact CZ-OD2 3.65Å; R74-D114 IonicContact NH1-OD1 2.98Å; R74-D114 PolarHBondContact NH1-OD1 2.77Å; R74-D114 IonicContact NH1-OD2 3.89Å; R74-D114 PolarHBondContact NH1-OD2 2.84Å; R74-D114 IonicContact NH2-OD1 3.93Å; R74-D114 IonicContact NH2-OD2 3.83Å; R74-D114 PolarHBondContact NH2-OD2 3Å; T93-D114 PolarHBondContact O-N 2.86Å; D114-T116 PolarHBondContact O-N 3.44Å
115	K	95.2	Very high	97	Very high	201 Å²	201	54.6 Å²	54.6	87%	0.874	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	-47.6	176.3	-49.9	-59.8	-177.2	178.6	0	114.7
116	T	95	Very high	96.9	Very high	86 Å²	86	52 Å²	52	53%	0.528	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-21.7	-179.4	64.1	0	0	0	0	113.4	R113 D114 K118	R113-T116 WeakPolarHBondContact CB-OG1 3.4Å; D114-T116 PolarHBondContact O-N 3.44Å; T116-K118 PolarHBondContact O-N 3.4Å
117	L	94.2	Very high	96.8	Very high	115 Å²	115	48.9 Å²	48.9	60%	0.602	24%	0.237	S	C	*	.			trans	57.1	9	-178.1	-54.2	178.3	0	0	0	115.1	R112 R113	R112-L117 PolarHBondContact NH1-O 2.82Å; R113-L117 WeakPolarHBondContact O-CA 3.44Å; R113-L117 PolarHBondContact O-N 2.92Å
118	K	95.7	Very high	96.6	Very high	136 Å²	136	53.2 Å²	53.2	59%	0.591	27%	0.273	S	S	*	.			trans	-63.1	134.5	175.1	-69.8	-170.3	175.7	-167.9	0	109.9	R112 R113 T116	R112-K118 WeakPolarHBondContact CA-O 3.34Å; R113-K118 PolarHBondContact N-O 2.69Å; T116-K118 PolarHBondContact O-N 3.4Å
119	V	96.6	Very high	96.5	Very high	26 Å²	26	51.7 Å²	51.7	16%	0.158	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	136.6	173.7	-175	0	0	0	0	109	R112 R113 L121 N122	R112-V119 HydrophobicContact CG-CG2 4.33Å; R113-V119 PolarHBondContact NH1-O 2.73Å; V119-L121 WeakPolarHBondContact CG1-O 3.21Å; V119-N122 HydrophobicContact CG1-CB 3.76Å
120	C	97.2	Very high	96.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	-8.9	176.8	63.4	0	0	0	0	113.6	L77 R91 M111 R113 S150	L77-C120 VanDerWaalsContact CD2-O 3.26Å; L77-C120 WeakPolarHBondContact CD2-O 3.38Å; R91-C120 HydrophobicContact CG-CB 4.27Å; M111-C120 PolarHBondContact O-N 2.72Å; M111-C120 PolarHBondContact O-SG 2.74Å; M111-C120 VanDerWaalsContact O-SG 3.36Å; R113-C120 HydrophobicContact CG-CB 3.95Å; C120-S150 VanDerWaalsContact C-CB 3.43Å; C120-S150 PolarHBondContact O-OG 2.96Å
121	L	98.2	Very high	96.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	131.2	171.2	-172.3	64.8	0	0	0	108.2	L77 V96 V109 V110 M111 V119 W143 F162	L77-L121 HydrophobicContact CD1-CD2 4.42Å; L77-L121 HydrophobicContact CD2-CB 3.79Å; L77-L121 HydrophobicContact CD2-CD1 4.26Å; L77-L121 HydrophobicContact CD2-CD2 4.48Å; L77-L121 HydrophobicContact CD2-CG 4.42Å; V96-L121 HydrophobicContact CG2-CD2 4.44Å; V109-L121 HydrophobicContact CG1-CD2 4.07Å; V109-L121 HydrophobicContact CG1-CG 4.21Å; V109-L121 HydrophobicContact CG2-CD2 3.62Å; V109-L121 HydrophobicContact CG2-CG 4.39Å; V110-L121 WeakPolarHBondContact CA-O 3Å; M111-L121 HydrophobicContact CB-CB 3.7Å; M111-L121 HydrophobicContact CB-CD2 4.45Å; M111-L121 PolarHBondContact N-O 3.29Å; M111-L121 PolarHBondContact O-N 2.9Å; V119-L121 WeakPolarHBondContact CG1-O 3.21Å; L121-W143 HydrophobicContact CD1-CZ2 4.05Å; L121-W143 HydrophobicContact CD2-CH2 4.32Å; L121-W143 HydrophobicContact CD2-CZ2 3.98Å; L121-F162 HydrophobicContact CD1-CD1 4.44Å; L121-F162 HydrophobicContact CD1-CD2 3.78Å; L121-F162 HydrophobicContact CD1-CE1 4.21Å; L121-F162 HydrophobicContact CD1-CE2 3.49Å; L121-F162 VanDerWaalsContact CD1-CE2 3.49Å; L121-F162 HydrophobicContact CD1-CG 4.25Å; L121-F162 HydrophobicContact CD1-CZ 3.73Å
122	N	97.9	Very high	96	Very high	33 Å²	33	58.4 Å²	58.4	18%	0.176	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	97.4	176.2	178.3	23	0	0	0	110.2	V109 V119 D148 F149	V109-N122 WeakPolarHBondContact O-CA 3.33Å; V119-N122 HydrophobicContact CG1-CB 3.76Å; N122-D148 PolarHBondContact N-OD1 2.97Å; N122-F149 PolarHBondContact ND2-O 3.46Å; N122-F149 PolarHBondContact O-N 3.27Å
123	H	97.5	Very high	95.9	Very high	4 Å²	4	62.6 Å²	62.6	2%	0.019	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	160.7	173.4	65.7	84.5	0	0	0	111.5	R108 V109 W143 C145 K147 D148	R108-H123 WeakPolarHBondContact CA-O 3.38Å; R108-H123 WeakPolarHBondContact CB-O 3.41Å; V109-H123 WeakPolarHBondContact CG1-CE1 3.35Å; V109-H123 WeakPolarHBondContact CG1-NE2 3.44Å; V109-H123 WeakPolarHBondContact CG1-O 3.41Å; V109-H123 PolarHBondContact N-O 3.09Å; V109-H123 PolarHBondContact O-N 3.25Å; H123-W143 AromaticContact CE1-NE1 3.46Å; H123-W143 PolarHBondContact CE1-NE1 3.19Å; H123-W143 AromaticContact NE2-CE2 3.8Å; H123-W143 AromaticContact NE2-CZ2 3.88Å; H123-W143 AromaticContact NE2-NE1 3.12Å; H123-W143 PolarHBondContact NE2-NE1 2.99Å; H123-W143 VanDerWaalsContact NE2-NE1 3.12Å; H123-C145 VanDerWaalsContact CD2-SG 3.52Å; H123-K147 WeakPolarHBondContact CB-O 3.32Å; H123-D148 IonicContact CD2-OD1 3.8Å
124	H	96.8	Very high	95.6	Very high	104 Å²	104	62.1 Å²	62.1	48%	0.481	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	146.4	172.8	-72.3	-66.1	0	0	0	111.6	S126	H124-S126 VanDerWaalsContact C-N 3.31Å; H124-S126 PolarHBondContact O-N 3.48Å
125	I	97.1	Very high	95.3	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	37%	0.366	C	S	.	.			trans	-81.5	81.6	172.5	-60.4	179.9	0	0	0	107.8	F98 I107 V109 F179 C182 Q183 N186	F98-I125 HydrophobicContact CB-CD1 4.37Å; F98-I125 HydrophobicContact CD1-CD1 3.64Å; F98-I125 HydrophobicContact CD2-CD1 4.27Å; F98-I125 HydrophobicContact CE1-CD1 3.94Å; F98-I125 HydrophobicContact CG-CD1 3.83Å; F98-I125 HydrophobicContact CZ-CD1 4.38Å; I107-I125 HydrophobicContact CG2-CD1 3.96Å; I107-I125 PolarHBondContact O-N 2.69Å; I107-I125 VanDerWaalsContact O-N 3.1Å; V109-I125 HydrophobicContact CB-CD1 4.26Å; V109-I125 HydrophobicContact CB-CG1 4.12Å; V109-I125 HydrophobicContact CG1-CG1 4.34Å; I125-F179 HydrophobicContact CD1-CD2 4.2Å; I125-F179 HydrophobicContact CD1-CE2 4.31Å; I125-F179 HydrophobicContact CG1-CD2 4.46Å; I125-F179 HydrophobicContact CG1-CE2 4.07Å; I125-F179 HydrophobicContact CG2-CD1 4.26Å; I125-F179 HydrophobicContact CG2-CD2 4.22Å; I125-F179 HydrophobicContact CG2-CE1 3.99Å; I125-F179 HydrophobicContact CG2-CE2 3.94Å; I125-F179 HydrophobicContact CG2-CG 4.38Å; I125-F179 HydrophobicContact CG2-CZ 3.83Å; I125-C182 HydrophobicContact CD1-CB 3.82Å; I125-C182 HydrophobicContact CG2-CB 4.12Å; I125-Q183 HydrophobicContact CG2-CB 4.39Å; I125-Q183 HydrophobicContact CG2-CG 3.42Å; I125-Q183 VanDerWaalsContact CG2-CG 3.42Å; I125-N186 PolarHBondContact O-ND2 2.98Å
126	S	94.3	Very high	95	Very high	40 Å²	40	60.2 Å²	60.2	28%	0.28	37%	0.368	S	S	.	.			trans	-70.6	143.9	-179.2	172	0	0	0	0	111.4	H124 A128 L129 Q183	H124-S126 VanDerWaalsContact C-N 3.31Å; H124-S126 PolarHBondContact O-N 3.48Å; S126-A128 PolarHBondContact O-N 3.32Å; S126-A128 VanDerWaalsContact O-N 3.17Å; S126-A128 PolarHBondContact OG-N 3.24Å; S126-L129 WeakPolarHBondContact O-CB 3.36Å; S126-L129 PolarHBondContact O-N 3.48Å; S126-L129 VanDerWaalsContact O-N 3.12Å; S126-Q183 PolarHBondContact O-NE2 2.87Å
127	P	93.6	Very high	94.9	Very high	37 Å²	37	57.4 Å²	57.4	24%	0.24	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-24.4	173	-23.8	34.9	0	0	0	113.6	L129 E187	P127-L129 VanDerWaalsContact C-N 3.34Å; P127-E187 HydrophobicContact CB-CB 3.98Å; P127-E187 HydrophobicContact CB-CG 4.1Å; P127-E187 HydrophobicContact CG-CB 3.55Å; P127-E187 HydrophobicContact CG-CG 3.99Å
128	A	93.5	Very high	95	Very high	91 Å²	91	57.2 Å²	57.2	75%	0.752	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-12.6	179.5	0	0	0	0	0	114.2	S126	S126-A128 PolarHBondContact O-N 3.32Å; S126-A128 VanDerWaalsContact O-N 3.17Å; S126-A128 PolarHBondContact OG-N 3.24Å
129	L	95	Very high	95	Very high	14 Å²	14	53.7 Å²	53.7	7%	0.073	34%	0.336	C	S	.	.			trans	-70	140.5	176.8	-66.1	175.4	0	0	0	110.2	S126 P127 K144 F179 Q183	S126-L129 WeakPolarHBondContact O-CB 3.36Å; S126-L129 PolarHBondContact O-N 3.48Å; S126-L129 VanDerWaalsContact O-N 3.12Å; P127-L129 VanDerWaalsContact C-N 3.34Å; L129-K144 WeakPolarHBondContact CD2-O 3.38Å; L129-F179 HydrophobicContact CB-CE1 4.24Å; L129-F179 HydrophobicContact CB-CZ 4.18Å; L129-F179 HydrophobicContact CD1-CZ 4.03Å; L129-Q183 PolarHBondContact O-NE2 3.1Å
130	S	94	Very high	95.1	Very high	94 Å²	94	53 Å²	53	66%	0.657	33%	0.332	S	S	*	.			trans	-126.5	125.5	175.4	-174.3	0	0	0	0	109.8	G132 W143	S130-G132 PolarHBondContact O-N 3.43Å; S130-W143 WeakPolarHBondContact O-CB 3.18Å
131	L	96.4	Very high	95.2	Very high	18 Å²	18	53.8 Å²	53.8	9%	0.094	34%	0.336	C	S	.	.			trans	-82.4	107.7	173.2	-63.1	-177.9	0	0	0	109.2	W141 W143 F175 K176 F179	L131-W141 HydrophobicContact CB-CB 4.32Å; L131-W141 HydrophobicContact CB-CD2 4.35Å; L131-W141 HydrophobicContact CB-CE3 4.09Å; L131-W141 HydrophobicContact CB-CG 4.42Å; L131-W141 HydrophobicContact CD1-CG 4.39Å; L131-W141 HydrophobicContact CD2-CB 4.23Å; L131-W143 HydrophobicContact CD2-CB 4.09Å; L131-W143 HydrophobicContact CD2-CD2 4.1Å; L131-W143 HydrophobicContact CD2-CE3 3.87Å; L131-W143 HydrophobicContact CD2-CG 4.22Å; L131-F175 HydrophobicContact CD1-CD1 4.11Å; L131-F175 HydrophobicContact CD1-CE1 3.85Å; L131-F175 HydrophobicContact CD2-CE1 4.27Å; L131-K176 HydrophobicContact CD1-CB 4.21Å; L131-K176 HydrophobicContact CD1-CG 4.23Å; L131-F179 HydrophobicContact CD1-CB 3.88Å; L131-F179 HydrophobicContact CD1-CD1 3.72Å; L131-F179 HydrophobicContact CD1-CD2 4.45Å; L131-F179 HydrophobicContact CD1-CE1 4.35Å; L131-F179 HydrophobicContact CD1-CG 3.77Å; L131-F179 HydrophobicContact CD2-CD1 4.35Å; L131-F179 HydrophobicContact CD2-CE1 4.17Å; L131-F179 HydrophobicContact CD2-CZ 4.25Å; L131-F179 HydrophobicContact CG-CD1 3.88Å; L131-F179 HydrophobicContact CG-CE1 4.02Å; L131-F179 HydrophobicContact CG-CG 4.33Å
132	G	95.5	Very high	95.1	Very high	32 Å²	32	55 Å²	55	33%	0.33	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	148.5	172.1	0	0	0	0	0	112.2	S130 W141 V142	S130-G132 PolarHBondContact O-N 3.43Å; G132-W141 CarbonylContact O-C 3.55Å; G132-W141 WeakPolarHBondContact O-CA 3.35Å; G132-V142 PolarHBondContact N-O 2.79Å; G132-V142 PolarHBondContact O-N 2.86Å
133	E	94.8	Very high	95.1	Very high	149 Å²	149	53.7 Å²	53.7	70%	0.696	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	138.1	173.4	-66.2	178.8	-174.2	0	0	110.3	W141	E133-W141 HydrophobicContact CB-CZ3 4.34Å; E133-W141 HydrophobicContact CG-CE3 4.14Å; E133-W141 HydrophobicContact CG-CH2 3.84Å; E133-W141 HydrophobicContact CG-CZ3 3.3Å
134	M	91.6	Very high	95.1	Very high	56 Å²	56	59.1 Å²	59.1	28%	0.276	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	127.7	172.6	-175.3	65.1	-171.1	0	0	109.7	W88 G136 S137 S140 V142	W88-M134 HydrophobicContact CZ2-CE 4.41Å; W88-M134 HydrophobicContact CZ2-SD 4.2Å; W88-M134 VanDerWaalsContact NE1-CE 3.35Å; M134-G136 PolarHBondContact O-N 3.18Å; M134-G136 VanDerWaalsContact O-N 3.13Å; M134-S137 PolarHBondContact O-N 3.08Å; M134-S140 PolarHBondContact N-O 3.42Å; M134-V142 HydrophobicContact CB-CG2 3.92Å; M134-V142 HydrophobicContact CG-CG2 4.3Å; M134-V142 HydrophobicContact SD-CG2 3.57Å; M134-V142 VanDerWaalsContact SD-CG2 3.57Å
135	T	90.4	Very high	95.1	Very high	140 Å²	140	54.2 Å²	54.2	86%	0.859	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	121.8	175.3	-51.8	0	0	0	0	110.6
136	G	90.5	Very high	95.1	Very high	89 Å²	89	58.1 Å²	58.1	92%	0.918	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	9	179.1	0	0	0	0	0	115.5	M134	M134-G136 PolarHBondContact O-N 3.18Å; M134-G136 VanDerWaalsContact O-N 3.13Å
137	S	92.7	Very high	95.1	Very high	27 Å²	27	62.2 Å²	62.2	19%	0.189	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	122.6	172.9	-170.8	0	0	0	0	112.6	M134 K139 S140	M134-S137 PolarHBondContact O-N 3.08Å; S137-K139 VanDerWaalsContact C-N 3.25Å; S137-K139 PolarHBondContact OG-N 3.46Å; S137-S140 PolarHBondContact OG-OG 2.96Å
138	D	95.3	Very high	95.3	Very high	111 Å²	111	60.5 Å²	60.5	59%	0.594	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	-2.8	169.2	63	-22.3	0	0	0	113.2	P169	D138-P169 HydrophobicContact CB-CB 4.44Å
139	K	97.2	Very high	95.5	Very high	62 Å²	62	60.4 Å²	60.4	27%	0.27	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	10.9	-176.3	-38.3	-168.8	-178.4	-172.9	0	113.1	S137 R165 F166 A167	S137-K139 VanDerWaalsContact C-N 3.25Å; S137-K139 PolarHBondContact OG-N 3.46Å; K139-R165 WeakPolarHBondContact O-CA 3.1Å; K139-F166 WeakPolarHBondContact O-CD2 3.12Å; K139-F166 PolarHBondContact O-N 3.29Å; K139-A167 WeakPolarHBondContact CD-O 3.41Å; K139-A167 PolarHBondContact NZ-O 2.89Å
140	S	97.7	Very high	95.4	Very high	11 Å²	11	60.2 Å²	60.2	8%	0.077	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	141.3	-169.7	-47.1	0	0	0	0	113.1	M134 S137 I164 R165	M134-S140 PolarHBondContact N-O 3.42Å; S137-S140 PolarHBondContact OG-OG 2.96Å; S140-I164 CarbonylContact C-O 3.57Å; S140-I164 WeakPolarHBondContact CA-O 3.36Å; S140-I164 WeakPolarHBondContact CB-O 3.18Å; S140-R165 WeakPolarHBondContact OG-CG 3.46Å
141	W	98.3	Very high	95.3	Very high	18 Å²	18	57.5 Å²	57.5	7%	0.068	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	146.3	173.3	-60.1	111.8	0	0	0	110.5	L131 G132 E133 A163 I164 F166 A172 F175 K176	L131-W141 HydrophobicContact CB-CB 4.32Å; L131-W141 HydrophobicContact CB-CD2 4.35Å; L131-W141 HydrophobicContact CB-CE3 4.09Å; L131-W141 HydrophobicContact CB-CG 4.42Å; L131-W141 HydrophobicContact CD1-CG 4.39Å; L131-W141 HydrophobicContact CD2-CB 4.23Å; G132-W141 CarbonylContact O-C 3.55Å; G132-W141 WeakPolarHBondContact O-CA 3.35Å; E133-W141 HydrophobicContact CB-CZ3 4.34Å; E133-W141 HydrophobicContact CG-CE3 4.14Å; E133-W141 HydrophobicContact CG-CH2 3.84Å; E133-W141 HydrophobicContact CG-CZ3 3.3Å; W141-A163 CarbonylContact O-C 3.59Å; W141-A163 VanDerWaalsContact O-CA 3.27Å; W141-A163 WeakPolarHBondContact O-CA 3.26Å; W141-I164 HydrophobicContact CB-CG2 4.15Å; W141-I164 PolarHBondContact N-O 2.94Å; W141-I164 PolarHBondContact O-N 3.27Å; W141-F166 AromaticContact CD1-CE2 3.94Å; W141-A172 PolarHBondContact NE1-O 2.94Å; W141-F175 AromaticContact CD1-CD1 3.73Å; W141-K176 HydrophobicContact CD2-CD 4.26Å; W141-K176 HydrophobicContact CE3-CD 4.14Å; W141-K176 HydrophobicContact CH2-CD 3.25Å; W141-K176 VanDerWaalsContact CH2-NZ 3.28Å; W141-K176 HydrophobicContact CZ2-CB 3.9Å; W141-K176 HydrophobicContact CZ2-CD 3.31Å; W141-K176 HydrophobicContact CZ2-CG 4.25Å; W141-K176 HydrophobicContact CZ3-CD 3.63Å; W141-K176 VanDerWaalsContact CZ3-NZ 3.33Å
142	V	97.9	Very high	94.9	Very high	26 Å²	26	65.4 Å²	65.4	16%	0.158	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.5	176.7	-179.5	0	0	0	0	109.1	W88 G132 M134 L161 F162 A163	W88-V142 HydrophobicContact CH2-CG1 4.01Å; W88-V142 HydrophobicContact CH2-CG2 4.46Å; W88-V142 HydrophobicContact CZ2-CG1 4.4Å; W88-V142 HydrophobicContact CZ2-CG2 4.44Å; G132-V142 PolarHBondContact N-O 2.79Å; G132-V142 PolarHBondContact O-N 2.86Å; M134-V142 HydrophobicContact CB-CG2 3.92Å; M134-V142 HydrophobicContact CG-CG2 4.3Å; M134-V142 HydrophobicContact SD-CG2 3.57Å; M134-V142 VanDerWaalsContact SD-CG2 3.57Å; V142-L161 HydrophobicContact CG1-CD1 3.77Å; V142-L161 HydrophobicContact CG1-CG 4.43Å; V142-F162 VanDerWaalsContact CA-O 3.25Å; V142-F162 WeakPolarHBondContact CA-O 3.28Å; V142-F162 WeakPolarHBondContact CG1-O 3.38Å; V142-A163 HydrophobicContact CG2-CB 3.98Å
143	W	98	Very high	94.7	Very high	4 Å²	4	72.2 Å²	72.2	2%	0.015	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	148.7	170.8	71	101.4	0	0	0	111.4	L77 L121 H123 S130 L131 F162 I164	L77-W143 HydrophobicContact CD1-CH2 3.91Å; L121-W143 HydrophobicContact CD1-CZ2 4.05Å; L121-W143 HydrophobicContact CD2-CH2 4.32Å; L121-W143 HydrophobicContact CD2-CZ2 3.98Å; H123-W143 AromaticContact CE1-NE1 3.46Å; H123-W143 PolarHBondContact CE1-NE1 3.19Å; H123-W143 AromaticContact NE2-CE2 3.8Å; H123-W143 AromaticContact NE2-CZ2 3.88Å; H123-W143 AromaticContact NE2-NE1 3.12Å; H123-W143 PolarHBondContact NE2-NE1 2.99Å; H123-W143 VanDerWaalsContact NE2-NE1 3.12Å; S130-W143 WeakPolarHBondContact O-CB 3.18Å; L131-W143 HydrophobicContact CD2-CB 4.09Å; L131-W143 HydrophobicContact CD2-CD2 4.1Å; L131-W143 HydrophobicContact CD2-CE3 3.87Å; L131-W143 HydrophobicContact CD2-CG 4.22Å; W143-F162 HydrophobicContact CD2-CB 4.06Å; W143-F162 AromaticContact CE2-CD2 3.93Å; W143-F162 HydrophobicContact CE3-CB 4.16Å; W143-F162 HydrophobicContact CH2-CB 3.76Å; W143-F162 HydrophobicContact CH2-CG 4.49Å; W143-F162 HydrophobicContact CZ2-CB 3.66Å; W143-F162 AromaticContact CZ2-CD2 3.93Å; W143-F162 HydrophobicContact CZ2-CD2 3.93Å; W143-F162 HydrophobicContact CZ2-CG 4.05Å; W143-F162 HydrophobicContact CZ3-CB 3.99Å; W143-F162 PolarHBondContact N-O 3.05Å; W143-F162 AromaticContact NE1-CD2 3.85Å; W143-F162 PolarHBondContact O-N 3.11Å; W143-I164 HydrophobicContact CH2-CB 3.92Å; W143-I164 HydrophobicContact CH2-CG2 4.03Å; W143-I164 HydrophobicContact CZ3-CB 3.72Å; W143-I164 HydrophobicContact CZ3-CG2 3.48Å; W143-I164 VanDerWaalsContact CZ3-CG2 3.48Å
144	K	97.1	Very high	94.6	Very high	118 Å²	118	68.8 Å²	68.8	51%	0.513	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	114.8	172.1	-172.2	176.5	-178.5	-178.5	0	108.9	L129 E159 L161	L129-K144 WeakPolarHBondContact CD2-O 3.38Å; K144-E159 WeakPolarHBondContact CE-OE1 3.35Å; K144-E159 WeakPolarHBondContact CE-OE2 3.5Å; K144-E159 IonicContact NZ-OE1 3.37Å; K144-E159 PolarHBondContact NZ-OE1 3.15Å; K144-E159 IonicContact NZ-OE2 3.52Å; K144-E159 PolarHBondContact NZ-OE2 3.46Å; K144-E159 VanDerWaalsContact NZ-OE2 3.12Å; K144-L161 HydrophobicContact CB-CD1 4.18Å
145	C	96.9	Very high	94.5	Very high	2 Å²	2	71 Å²	71	1%	0.014	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	120.8	174.7	-174.4	0	0	0	0	109.7	H123 K147 E159 E160 F162	H123-C145 VanDerWaalsContact CD2-SG 3.52Å; C145-K147 VanDerWaalsContact SG-C 3.58Å; C145-K147 PolarHBondContact SG-O 2.72Å; C145-E159 WeakPolarHBondContact O-CA 3.45Å; C145-E160 PolarHBondContact N-O 3.04Å; C145-E160 PolarHBondContact O-N 2.92Å; C145-F162 HydrophobicContact CB-CD2 3.89Å; C145-F162 HydrophobicContact CB-CE2 3.8Å
146	P	95.6	Very high	94.6	Very high	81 Å²	81	70.1 Å²	70.1	53%	0.526	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	-30.9	-179.6	26.9	-33.6	0	0	0	113.1	E159	P146-E159 WeakPolarHBondContact O-CA 3.41Å
147	K	95.5	Very high	94.7	Very high	126 Å²	126	66.4 Å²	66.4	55%	0.548	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	105.1	179.2	-67.1	-167.5	176.4	-163.3	0	111.3	H123 C145 F149	H123-K147 WeakPolarHBondContact CB-O 3.32Å; C145-K147 VanDerWaalsContact SG-C 3.58Å; C145-K147 PolarHBondContact SG-O 2.72Å; K147-F149 HydrophobicContact CB-CE2 4.01Å; K147-F149 HydrophobicContact CB-CZ 4.25Å; K147-F149 HydrophobicContact CD-CZ 4.42Å
148	D	97.3	Very high	94.9	Very high	1 Å²	1	66.5 Å²	66.5	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.1	169.4	179.9	78.8	0	0	0	111.3	N122 H123 S150 G157 V158 E160 F162	N122-D148 PolarHBondContact N-OD1 2.97Å; H123-D148 IonicContact CD2-OD1 3.8Å; D148-S150 WeakPolarHBondContact OD2-CB 3.4Å; D148-S150 PolarHBondContact OD2-N 3.19Å; D148-S150 PolarHBondContact OD2-OG 2.69Å; D148-G157 CarbonylContact O-C 3.56Å; D148-G157 VanDerWaalsContact O-CA 3.28Å; D148-G157 WeakPolarHBondContact O-CA 3.49Å; D148-V158 PolarHBondContact N-O 3.08Å; D148-V158 PolarHBondContact O-N 3.18Å; D148-E160 HydrophobicContact CB-CB 4.49Å; D148-E160 HydrophobicContact CB-CG 4.32Å; D148-F162 HydrophobicContact CB-CE2 3.87Å; D148-F162 HydrophobicContact CB-CZ 3.9Å
149	F	97	Very high	94.9	Very high	90 Å²	90	66.8 Å²	66.8	40%	0.395	33%	0.331	S	S	.	.			trans	-110.8	32.7	-175.8	-60.8	-90.3	0	0	0	111.4	N122 K147 P155	N122-F149 PolarHBondContact ND2-O 3.46Å; N122-F149 PolarHBondContact O-N 3.27Å; K147-F149 HydrophobicContact CB-CE2 4.01Å; K147-F149 HydrophobicContact CB-CZ 4.25Å; K147-F149 HydrophobicContact CD-CZ 4.42Å; F149-P155 WeakPolarHBondContact CE1-O 3.44Å
150	S	94.7	Very high	94.8	Very high	10 Å²	10	64.5 Å²	64.5	7%	0.07	32%	0.321	C	S	.	.			trans	-82.5	-13.8	175.6	69.9	0	0	0	0	114	R91 C120 D148	R91-S150 PolarHBondContact NH2-OG 2.59Å; C120-S150 VanDerWaalsContact C-CB 3.43Å; C120-S150 PolarHBondContact O-OG 2.96Å; D148-S150 WeakPolarHBondContact OD2-CB 3.4Å; D148-S150 PolarHBondContact OD2-N 3.19Å; D148-S150 PolarHBondContact OD2-OG 2.69Å
151	D	91.6	Very high	94.8	Very high	37 Å²	37	66.8 Å²	66.8	20%	0.198	33%	0.332	C	S	.	.			trans	-100.2	106.9	-179.6	-165.4	-13.7	0	0	0	110	E153 K154	D151-E153 PolarHBondContact O-N 3.36Å; D151-E153 PolarHBondContact OD1-N 3.41Å; D151-K154 HydrophobicContact CB-CB 4.34Å; D151-K154 PolarHBondContact O-N 2.84Å; D151-K154 VanDerWaalsContact O-N 3.1Å; D151-K154 IonicContact OD2-NZ 3.97Å
152	E	87.4	Confident	94.8	Very high	183 Å²	183	65.9 Å²	65.9	86%	0.855	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.5	-179	-67.2	175.2	-171.6	0	0	112.5	K154	E152-K154 PolarHBondContact O-N 2.97Å
153	E	91.7	Very high	94.8	Very high	175 Å²	175	65 Å²	65	82%	0.818	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-9.4	177.2	-61	-178.5	-178.5	0	0	112.6	D151	D151-E153 PolarHBondContact O-N 3.36Å; D151-E153 PolarHBondContact OD1-N 3.41Å
154	K	91.9	Very high	94.8	Very high	77 Å²	77	64.8 Å²	64.8	34%	0.335	32%	0.323	S	S	.	.			trans	-131	73.2	-175	-64.2	177.1	-175.4	167.3	0	111.5	D151 E152 E156 G157 V158	D151-K154 HydrophobicContact CB-CB 4.34Å; D151-K154 PolarHBondContact O-N 2.84Å; D151-K154 VanDerWaalsContact O-N 3.1Å; D151-K154 IonicContact OD2-NZ 3.97Å; E152-K154 PolarHBondContact O-N 2.97Å; K154-E156 PolarHBondContact O-N 3.12Å; K154-E156 VanDerWaalsContact O-N 3.15Å; K154-G157 PolarHBondContact O-N 3.24Å; K154-G157 VanDerWaalsContact O-N 3.14Å; K154-V158 HydrophobicContact CB-CG2 3.69Å; K154-V158 HydrophobicContact CD-CG2 3.32Å; K154-V158 HydrophobicContact CG-CG2 4.16Å
155	P	89.6	Confident	94.9	Very high	103 Å²	103	65.1 Å²	65.1	67%	0.669	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.9	-173.5	27.2	-36.2	0	0	0	114.3	F149 G157	F149-P155 WeakPolarHBondContact CE1-O 3.44Å; P155-G157 PolarHBondContact O-N 2.9Å
156	E	93	Very high	94.9	Very high	121 Å²	121	65.2 Å²	65.2	57%	0.565	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-13.3	176.9	67.9	-78.2	-178	0	0	114.3	K154	K154-E156 PolarHBondContact O-N 3.12Å; K154-E156 VanDerWaalsContact O-N 3.15Å
157	G	93.5	Very high	95	Very high	12 Å²	12	64.9 Å²	64.9	12%	0.124	33%	0.325	C	S	.	.			trans	82	144	-174.2	0	0	0	0	0	112.4	D148 K154 P155	D148-G157 CarbonylContact O-C 3.56Å; D148-G157 VanDerWaalsContact O-CA 3.28Å; D148-G157 WeakPolarHBondContact O-CA 3.49Å; K154-G157 PolarHBondContact O-N 3.24Å; K154-G157 VanDerWaalsContact O-N 3.14Å; P155-G157 PolarHBondContact O-N 2.9Å
158	V	95	Very high	95.1	Very high	28 Å²	28	61.1 Å²	61.1	17%	0.17	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	138.6	-174.7	-170.5	0	0	0	0	110.2	D148 K154 E160	D148-V158 PolarHBondContact N-O 3.08Å; D148-V158 PolarHBondContact O-N 3.18Å; K154-V158 HydrophobicContact CB-CG2 3.69Å; K154-V158 HydrophobicContact CD-CG2 3.32Å; K154-V158 HydrophobicContact CG-CG2 4.16Å; V158-E160 HydrophobicContact CB-CG 4.18Å; V158-E160 HydrophobicContact CG1-CG 4.11Å; V158-E160 PolarHBondContact O-N 3.12Å
159	E	95.9	Very high	95.2	Very high	118 Å²	118	63.1 Å²	63.1	55%	0.551	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	122.8	166.7	-178.1	175	106.2	0	0	109	K144 C145 P146	K144-E159 WeakPolarHBondContact CE-OE1 3.35Å; K144-E159 WeakPolarHBondContact CE-OE2 3.5Å; K144-E159 IonicContact NZ-OE1 3.37Å; K144-E159 PolarHBondContact NZ-OE1 3.15Å; K144-E159 IonicContact NZ-OE2 3.52Å; K144-E159 PolarHBondContact NZ-OE2 3.46Å; K144-E159 VanDerWaalsContact NZ-OE2 3.12Å; C145-E159 WeakPolarHBondContact O-CA 3.45Å; P146-E159 WeakPolarHBondContact O-CA 3.41Å
160	E	95.8	Very high	95.2	Very high	13 Å²	13	65 Å²	65	6%	0.061	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	137.3	-174.7	-72.6	-71.9	-161.1	0	0	110.7	R79 R91 C145 D148 V158 F162	R79-E160 WeakPolarHBondContact CD-OE1 3.41Å; R79-E160 WeakPolarHBondContact CD-OE2 3.07Å; R79-E160 WeakPolarHBondContact CG-OE2 3.41Å; R79-E160 IonicContact CZ-OE1 3.12Å; R79-E160 IonicContact NE-OE1 2.74Å; R79-E160 IonicContact NH1-OE1 2.75Å; R79-E160 PolarHBondContact NH1-OE1 3.12Å; R91-E160 IonicContact NH1-OE1 2.66Å; C145-E160 PolarHBondContact N-O 3.04Å; C145-E160 PolarHBondContact O-N 2.92Å; D148-E160 HydrophobicContact CB-CB 4.49Å; D148-E160 HydrophobicContact CB-CG 4.32Å; V158-E160 HydrophobicContact CB-CG 4.18Å; V158-E160 HydrophobicContact CG1-CG 4.11Å; V158-E160 PolarHBondContact O-N 3.12Å; E160-F162 HydrophobicContact CB-CD1 4.45Å; E160-F162 HydrophobicContact CB-CD2 4.1Å; E160-F162 HydrophobicContact CB-CE1 3.85Å; E160-F162 HydrophobicContact CB-CE2 3.46Å; E160-F162 VanDerWaalsContact CB-CE2 3.46Å; E160-F162 HydrophobicContact CB-CZ 3.32Å; E160-F162 HydrophobicContact CG-CE1 4.28Å; E160-F162 HydrophobicContact CG-CE2 4.33Å; E160-F162 HydrophobicContact CG-CZ 3.76Å
161	L	97.1	Very high	95.4	Very high	59 Å²	59	67 Å²	67	31%	0.309	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	109.9	169.2	178.4	64.7	0	0	0	108.3	F80 W88 V142 K144	F80-L161 HydrophobicContact CB-CB 3.88Å; F80-L161 HydrophobicContact CB-CD2 3.8Å; F80-L161 HydrophobicContact CB-CG 3.97Å; F80-L161 HydrophobicContact CD1-CD2 3.94Å; F80-L161 HydrophobicContact CG-CD2 3.92Å; F80-L161 PolarHBondContact N-O 3.17Å; W88-L161 HydrophobicContact CH2-CD2 4.28Å; W88-L161 HydrophobicContact CH2-CG 3.98Å; W88-L161 WeakPolarHBondContact CZ3-O 3.43Å; V142-L161 HydrophobicContact CG1-CD1 3.77Å; V142-L161 HydrophobicContact CG1-CG 4.43Å; K144-L161 HydrophobicContact CB-CD1 4.18Å
162	F	98	Very high	95.7	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	147.9	-175.5	-67.9	-60.8	0	0	0	111.8	L77 Y78 L121 V142 W143 C145 D148 E160	L77-F162 HydrophobicContact CD1-CB 4.15Å; L77-F162 HydrophobicContact CD1-CD1 4.05Å; L77-F162 HydrophobicContact CD1-CG 4.28Å; L77-F162 HydrophobicContact CD2-CD1 4.31Å; L77-F162 HydrophobicContact CD2-CE1 4.36Å; L77-F162 HydrophobicContact CG-CD1 4.26Å; Y78-F162 WeakPolarHBondContact O-CA 3.36Å; L121-F162 HydrophobicContact CD1-CD1 4.44Å; L121-F162 HydrophobicContact CD1-CD2 3.78Å; L121-F162 HydrophobicContact CD1-CE1 4.21Å; L121-F162 HydrophobicContact CD1-CE2 3.49Å; L121-F162 VanDerWaalsContact CD1-CE2 3.49Å; L121-F162 HydrophobicContact CD1-CG 4.25Å; L121-F162 HydrophobicContact CD1-CZ 3.73Å; V142-F162 VanDerWaalsContact CA-O 3.25Å; V142-F162 WeakPolarHBondContact CA-O 3.28Å; V142-F162 WeakPolarHBondContact CG1-O 3.38Å; W143-F162 HydrophobicContact CD2-CB 4.06Å; W143-F162 AromaticContact CE2-CD2 3.93Å; W143-F162 HydrophobicContact CE3-CB 4.16Å; W143-F162 HydrophobicContact CH2-CB 3.76Å; W143-F162 HydrophobicContact CH2-CG 4.49Å; W143-F162 HydrophobicContact CZ2-CB 3.66Å; W143-F162 AromaticContact CZ2-CD2 3.93Å; W143-F162 HydrophobicContact CZ2-CD2 3.93Å; W143-F162 HydrophobicContact CZ2-CG 4.05Å; W143-F162 HydrophobicContact CZ3-CB 3.99Å; W143-F162 PolarHBondContact N-O 3.05Å; W143-F162 AromaticContact NE1-CD2 3.85Å; W143-F162 PolarHBondContact O-N 3.11Å; C145-F162 HydrophobicContact CB-CD2 3.89Å; C145-F162 HydrophobicContact CB-CE2 3.8Å; D148-F162 HydrophobicContact CB-CE2 3.87Å; D148-F162 HydrophobicContact CB-CZ 3.9Å; E160-F162 HydrophobicContact CB-CD1 4.45Å; E160-F162 HydrophobicContact CB-CD2 4.1Å; E160-F162 HydrophobicContact CB-CE1 3.85Å; E160-F162 HydrophobicContact CB-CE2 3.46Å; E160-F162 VanDerWaalsContact CB-CE2 3.46Å; E160-F162 HydrophobicContact CB-CZ 3.32Å; E160-F162 HydrophobicContact CG-CE1 4.28Å; E160-F162 HydrophobicContact CG-CE2 4.33Å; E160-F162 HydrophobicContact CG-CZ 3.76Å
163	A	97.9	Very high	96.2	Very high	6 Å²	6	58 Å²	58	5%	0.05	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	135	159.5	0	0	0	0	0	109.1	Y78 W88 W141 V142	Y78-A163 PolarHBondContact N-O 3.17Å; Y78-A163 PolarHBondContact O-N 3.11Å; W88-A163 HydrophobicContact CD2-CB 4.39Å; W88-A163 HydrophobicContact CE3-CB 3.89Å; W88-A163 HydrophobicContact CH2-CB 3.65Å; W88-A163 HydrophobicContact CZ2-CB 4.17Å; W88-A163 HydrophobicContact CZ3-CB 3.49Å; W88-A163 VanDerWaalsContact CZ3-CB 3.49Å; W141-A163 CarbonylContact O-C 3.59Å; W141-A163 VanDerWaalsContact O-CA 3.27Å; W141-A163 WeakPolarHBondContact O-CA 3.26Å; V142-A163 HydrophobicContact CG2-CB 3.98Å
164	I	98.5	Very high	96.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	135.1	175.8	-165	168	0	0	0	109.3	A75 K76 L77 V96 S140 W141 W143 F166 F175	A75-I164 HydrophobicContact CB-CD1 3.7Å; A75-I164 HydrophobicContact CB-CG1 3.69Å; K76-I164 WeakPolarHBondContact O-CA 3.17Å; L77-I164 HydrophobicContact CD1-CB 4.24Å; L77-I164 HydrophobicContact CD1-CG1 4.49Å; V96-I164 HydrophobicContact CB-CD1 4.19Å; V96-I164 HydrophobicContact CG1-CD1 3.98Å; V96-I164 HydrophobicContact CG2-CD1 4.28Å; S140-I164 CarbonylContact C-O 3.57Å; S140-I164 WeakPolarHBondContact CA-O 3.36Å; S140-I164 WeakPolarHBondContact CB-O 3.18Å; W141-I164 HydrophobicContact CB-CG2 4.15Å; W141-I164 PolarHBondContact N-O 2.94Å; W141-I164 PolarHBondContact O-N 3.27Å; W143-I164 HydrophobicContact CH2-CB 3.92Å; W143-I164 HydrophobicContact CH2-CG2 4.03Å; W143-I164 HydrophobicContact CZ3-CB 3.72Å; W143-I164 HydrophobicContact CZ3-CG2 3.48Å; W143-I164 VanDerWaalsContact CZ3-CG2 3.48Å; I164-F166 HydrophobicContact CB-CZ 4.45Å; I164-F166 HydrophobicContact CD1-CE1 4.22Å; I164-F166 HydrophobicContact CD1-CZ 3.82Å; I164-F166 HydrophobicContact CG1-CE1 4.37Å; I164-F166 HydrophobicContact CG1-CE2 4.31Å; I164-F166 HydrophobicContact CG1-CZ 3.86Å; I164-F166 HydrophobicContact CG2-CE2 3.69Å; I164-F166 HydrophobicContact CG2-CZ 3.77Å; I164-F175 HydrophobicContact CD1-CE2 4.12Å; I164-F175 HydrophobicContact CD1-CZ 4.3Å; I164-F175 HydrophobicContact CG2-CE1 4.16Å; I164-F175 HydrophobicContact CG2-CZ 4.31Å
165	R	98.2	Very high	96.8	Very high	125 Å²	125	49.8 Å²	49.8	47%	0.472	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	137.9	-179	-179.9	173.9	173.4	170.2	0.8	111.2	A75 K76 Y78 K139 S140	A75-R165 WeakPolarHBondContact CA-O 3.43Å; K76-R165 PolarHBondContact N-O 2.89Å; K76-R165 PolarHBondContact O-N 3.19Å; Y78-R165 HydrophobicContact CE2-CB 4.16Å; K139-R165 WeakPolarHBondContact O-CA 3.1Å; S140-R165 WeakPolarHBondContact OG-CG 3.46Å
166	F	98.5	Very high	97.2	Very high	5 Å²	5	47.4 Å²	47.4	2%	0.022	26%	0.255	C	S	.	.			trans	-111.5	166.1	178	-54	-84.9	0	0	0	111.8	I73 A75 V96 K139 W141 I164 N171 A172 F175	I73-F166 HydrophobicContact CD1-CD1 4.49Å; I73-F166 HydrophobicContact CG2-CD1 4.06Å; I73-F166 HydrophobicContact CG2-CE1 3.63Å; A75-F166 HydrophobicContact CB-CD1 3.95Å; A75-F166 HydrophobicContact CB-CE1 3.7Å; A75-F166 HydrophobicContact CB-CZ 4.45Å; V96-F166 HydrophobicContact CG1-CE1 4.33Å; K139-F166 WeakPolarHBondContact O-CD2 3.12Å; K139-F166 PolarHBondContact O-N 3.29Å; W141-F166 AromaticContact CD1-CE2 3.94Å; I164-F166 HydrophobicContact CB-CZ 4.45Å; I164-F166 HydrophobicContact CD1-CE1 4.22Å; I164-F166 HydrophobicContact CD1-CZ 3.82Å; I164-F166 HydrophobicContact CG1-CE1 4.37Å; I164-F166 HydrophobicContact CG1-CE2 4.31Å; I164-F166 HydrophobicContact CG1-CZ 3.86Å; I164-F166 HydrophobicContact CG2-CE2 3.69Å; I164-F166 HydrophobicContact CG2-CZ 3.77Å; F166-N171 HydrophobicContact CB-CB 3.84Å; F166-N171 HydrophobicContact CG-CB 4.36Å; F166-A172 HydrophobicContact CB-CB 4.42Å; F166-A172 VanDerWaalsContact CD2-CA 3.49Å; F166-A172 HydrophobicContact CD2-CB 3.64Å; F166-A172 HydrophobicContact CE2-CB 4.37Å; F166-A172 HydrophobicContact CG-CB 4.35Å; F166-F175 HydrophobicContact CE1-CB 3.94Å; F166-F175 AromaticContact CE1-CD2 3.82Å; F166-F175 HydrophobicContact CE1-CD2 3.82Å; F166-F175 AromaticContact CE1-CG 3.98Å; F166-F175 HydrophobicContact CE1-CG 3.98Å; F166-F175 HydrophobicContact CE2-CB 3.89Å; F166-F175 HydrophobicContact CE2-CD1 4.06Å; F166-F175 HydrophobicContact CE2-CD2 4.4Å; F166-F175 AromaticContact CE2-CG 3.87Å; F166-F175 HydrophobicContact CE2-CG 3.87Å; F166-F175 HydrophobicContact CZ-CB 3.48Å; F166-F175 VanDerWaalsContact CZ-CB 3.48Å; F166-F175 AromaticContact CZ-CD1 3.77Å; F166-F175 HydrophobicContact CZ-CD1 3.77Å; F166-F175 AromaticContact CZ-CD2 3.36Å; F166-F175 HydrophobicContact CZ-CD2 3.36Å; F166-F175 HydrophobicContact CZ-CE1 4.34Å; F166-F175 AromaticContact CZ-CE2 3.99Å; F166-F175 HydrophobicContact CZ-CE2 3.99Å; F166-F175 AromaticContact CZ-CG 3.24Å; F166-F175 HydrophobicContact CZ-CG 3.24Å; F166-F175 HydrophobicContact CZ-CZ 4.44Å
167	A	97.8	Very high	97.4	Very high	73 Å²	73	44.8 Å²	44.8	60%	0.603	25%	0.247	S	C	*	.	S	Bend	trans	-65.5	-39.8	179.7	0	0	0	0	0	112.6	K139	K139-A167 WeakPolarHBondContact CD-O 3.41Å; K139-A167 PolarHBondContact NZ-O 2.89Å
168	T	97.8	Very high	97.6	Very high	47 Å²	47	46.1 Å²	46.1	29%	0.288	25%	0.25	S	C	.	.	S	Bend	trans	-132.8	155.4	-174.4	82.7	0	0	0	0	110.5	E170 N171 A172	T168-E170 VanDerWaalsContact C-N 3.25Å; T168-E170 WeakPolarHBondContact CB-OE2 3.27Å; T168-E170 PolarHBondContact O-N 2.79Å; T168-E170 PolarHBondContact OG1-OE2 3.12Å; T168-N171 PolarHBondContact O-N 2.99Å; T168-N171 PolarHBondContact OG1-N 3.08Å; T168-A172 PolarHBondContact O-N 3.02Å
169	P	97.4	Very high	97.8	Very high	44 Å²	44	44.8 Å²	44.8	29%	0.286	24%	0.242	S	C	.	.	H	α-helix	trans	-65	-29.3	176.8	26.9	-33.5	0	0	0	112.3	D138 N171 A172 G173	D138-P169 HydrophobicContact CB-CB 4.44Å; P169-N171 VanDerWaalsContact C-N 3.34Å; P169-N171 PolarHBondContact O-N 2.73Å; P169-A172 WeakPolarHBondContact O-CB 3.42Å; P169-A172 PolarHBondContact O-N 2.81Å; P169-G173 PolarHBondContact O-N 3.48Å
170	E	98.1	Very high	97.9	Very high	130 Å²	130	44 Å²	44	61%	0.607	24%	0.238	S	C	*	.	H	α-helix	trans	-62.8	-42.5	175.3	-56.1	76.4	-166.3	0	0	111.1	T168 A172 G173 L174	T168-E170 VanDerWaalsContact C-N 3.25Å; T168-E170 WeakPolarHBondContact CB-OE2 3.27Å; T168-E170 PolarHBondContact O-N 2.79Å; T168-E170 PolarHBondContact OG1-OE2 3.12Å; E170-A172 VanDerWaalsContact C-N 3.31Å; E170-A172 PolarHBondContact O-N 2.9Å; E170-G173 PolarHBondContact O-N 2.92Å; E170-L174 WeakPolarHBondContact O-CB 3.25Å; E170-L174 PolarHBondContact O-N 3.39Å
171	N	98.2	Very high	97.9	Very high	52 Å²	52	48.5 Å²	48.5	28%	0.278	26%	0.257	S	S	.	.	H	α-helix	trans	-64	-38	175.3	-72.9	-6.3	0	0	0	111.7	I73 F166 T168 P169 L174 F175	I73-N171 HydrophobicContact CD1-CB 3.62Å; F166-N171 HydrophobicContact CB-CB 3.84Å; F166-N171 HydrophobicContact CG-CB 4.36Å; T168-N171 PolarHBondContact O-N 2.99Å; T168-N171 PolarHBondContact OG1-N 3.08Å; P169-N171 VanDerWaalsContact C-N 3.34Å; P169-N171 PolarHBondContact O-N 2.73Å; N171-L174 PolarHBondContact O-N 3.07Å; N171-F175 PolarHBondContact O-N 2.89Å
172	A	98	Very high	98	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.008	24%	0.244	C	C	.	.	H	α-helix	trans	-65	-43	174.2	0	0	0	0	0	111.4	W141 F166 T168 P169 E170 F175 K176	W141-A172 PolarHBondContact NE1-O 2.94Å; F166-A172 HydrophobicContact CB-CB 4.42Å; F166-A172 VanDerWaalsContact CD2-CA 3.49Å; F166-A172 HydrophobicContact CD2-CB 3.64Å; F166-A172 HydrophobicContact CE2-CB 4.37Å; F166-A172 HydrophobicContact CG-CB 4.35Å; T168-A172 PolarHBondContact O-N 3.02Å; P169-A172 WeakPolarHBondContact O-CB 3.42Å; P169-A172 PolarHBondContact O-N 2.81Å; E170-A172 VanDerWaalsContact C-N 3.31Å; E170-A172 PolarHBondContact O-N 2.9Å; A172-F175 PolarHBondContact O-N 2.85Å; A172-K176 PolarHBondContact O-N 2.8Å; A172-K176 VanDerWaalsContact O-N 3.08Å
173	G	97.8	Very high	97.9	Very high	30 Å²	30	47 Å²	47	31%	0.309	25%	0.249	S	C	.	.	H	α-helix	trans	-59.9	-47.1	174.2	0	0	0	0	0	112.4	P169 E170 F175 K176 T177	P169-G173 PolarHBondContact O-N 3.48Å; E170-G173 PolarHBondContact O-N 2.92Å; G173-F175 PolarHBondContact O-N 3.47Å; G173-K176 PolarHBondContact O-N 2.83Å; G173-T177 PolarHBondContact O-N 3.01Å; G173-T177 PolarHBondContact O-OG1 2.99Å
174	L	98.1	Very high	97.9	Very high	78 Å²	78	49.4 Å²	49.4	41%	0.408	27%	0.269	S	S	.	.	H	α-helix	trans	-59.3	-46.2	177.4	-177.4	62.9	0	0	0	111.8	F71 E170 N171 K176 T177 E178	F71-L174 HydrophobicContact CE2-CD2 3.84Å; F71-L174 HydrophobicContact CE2-CG 3.77Å; F71-L174 HydrophobicContact CZ-CD2 4.41Å; F71-L174 HydrophobicContact CZ-CG 4.23Å; E170-L174 WeakPolarHBondContact O-CB 3.25Å; E170-L174 PolarHBondContact O-N 3.39Å; N171-L174 PolarHBondContact O-N 3.07Å; L174-K176 VanDerWaalsContact C-N 3.33Å; L174-K176 PolarHBondContact O-N 2.54Å; L174-T177 PolarHBondContact O-N 2.82Å; L174-E178 HydrophobicContact CD1-CG 4.25Å; L174-E178 PolarHBondContact O-N 2.87Å
175	F	98.4	Very high	97.8	Very high	1 Å²	1	53.9 Å²	53.9	0%	0.004	29%	0.289	C	S	.	.	H	α-helix	trans	-56.1	-47.1	175.1	176	-89.2	0	0	0	111.6	F71 V96 F98 L131 W141 I164 F166 N171 A172 G173 E178 F179	F71-F175 HydrophobicContact CE1-CB 4.45Å; F71-F175 AromaticContact CE1-CD2 3.94Å; F71-F175 HydrophobicContact CE1-CD2 3.94Å; F71-F175 HydrophobicContact CZ-CB 4.47Å; V96-F175 HydrophobicContact CG1-CD2 4.18Å; V96-F175 HydrophobicContact CG1-CE2 4.02Å; V96-F175 HydrophobicContact CG2-CE2 4.16Å; F98-F175 HydrophobicContact CE1-CD2 4.39Å; F98-F175 AromaticContact CE1-CE2 3.69Å; F98-F175 HydrophobicContact CE1-CE2 3.69Å; F98-F175 HydrophobicContact CE1-CZ 4.19Å; F98-F175 AromaticContact CZ-CD2 3.82Å; F98-F175 HydrophobicContact CZ-CD2 3.82Å; F98-F175 AromaticContact CZ-CE2 3.46Å; F98-F175 HydrophobicContact CZ-CE2 3.46Å; F98-F175 VanDerWaalsContact CZ-CE2 3.46Å; F98-F175 AromaticContact CZ-CZ 3.95Å; F98-F175 HydrophobicContact CZ-CZ 3.95Å; L131-F175 HydrophobicContact CD1-CD1 4.11Å; L131-F175 HydrophobicContact CD1-CE1 3.85Å; L131-F175 HydrophobicContact CD2-CE1 4.27Å; W141-F175 AromaticContact CD1-CD1 3.73Å; I164-F175 HydrophobicContact CD1-CE2 4.12Å; I164-F175 HydrophobicContact CD1-CZ 4.3Å; I164-F175 HydrophobicContact CG2-CE1 4.16Å; I164-F175 HydrophobicContact CG2-CZ 4.31Å; F166-F175 HydrophobicContact CE1-CB 3.94Å; F166-F175 AromaticContact CE1-CD2 3.82Å; F166-F175 HydrophobicContact CE1-CD2 3.82Å; F166-F175 AromaticContact CE1-CG 3.98Å; F166-F175 HydrophobicContact CE1-CG 3.98Å; F166-F175 HydrophobicContact CE2-CB 3.89Å; F166-F175 HydrophobicContact CE2-CD1 4.06Å; F166-F175 HydrophobicContact CE2-CD2 4.4Å; F166-F175 AromaticContact CE2-CG 3.87Å; F166-F175 HydrophobicContact CE2-CG 3.87Å; F166-F175 HydrophobicContact CZ-CB 3.48Å; F166-F175 VanDerWaalsContact CZ-CB 3.48Å; F166-F175 AromaticContact CZ-CD1 3.77Å; F166-F175 HydrophobicContact CZ-CD1 3.77Å; F166-F175 AromaticContact CZ-CD2 3.36Å; F166-F175 HydrophobicContact CZ-CD2 3.36Å; F166-F175 HydrophobicContact CZ-CE1 4.34Å; F166-F175 AromaticContact CZ-CE2 3.99Å; F166-F175 HydrophobicContact CZ-CE2 3.99Å; F166-F175 AromaticContact CZ-CG 3.24Å; F166-F175 HydrophobicContact CZ-CG 3.24Å; F166-F175 HydrophobicContact CZ-CZ 4.44Å; N171-F175 PolarHBondContact O-N 2.89Å; A172-F175 PolarHBondContact O-N 2.85Å; G173-F175 PolarHBondContact O-N 3.47Å; F175-E178 PolarHBondContact O-N 3.03Å; F175-F179 HydrophobicContact CE1-CB 4.45Å; F175-F179 HydrophobicContact CE1-CD2 4.18Å; F175-F179 HydrophobicContact CZ-CD2 4.04Å; F175-F179 WeakPolarHBondContact O-CB 3.41Å; F175-F179 PolarHBondContact O-N 2.79Å
176	K	97.6	Very high	97.7	Very high	53 Å²	53	48.2 Å²	48.2	23%	0.23	27%	0.268	C	S	.	.	H	α-helix	trans	-62.5	-44.6	179.6	176	168	177.4	177.3	0	111.9	L131 W141 A172 G173 L174 F179 Q180	L131-K176 HydrophobicContact CD1-CB 4.21Å; L131-K176 HydrophobicContact CD1-CG 4.23Å; W141-K176 HydrophobicContact CD2-CD 4.26Å; W141-K176 HydrophobicContact CE3-CD 4.14Å; W141-K176 HydrophobicContact CH2-CD 3.25Å; W141-K176 VanDerWaalsContact CH2-NZ 3.28Å; W141-K176 HydrophobicContact CZ2-CB 3.9Å; W141-K176 HydrophobicContact CZ2-CD 3.31Å; W141-K176 HydrophobicContact CZ2-CG 4.25Å; W141-K176 HydrophobicContact CZ3-CD 3.63Å; W141-K176 VanDerWaalsContact CZ3-NZ 3.33Å; A172-K176 PolarHBondContact O-N 2.8Å; A172-K176 VanDerWaalsContact O-N 3.08Å; G173-K176 PolarHBondContact O-N 2.83Å; L174-K176 VanDerWaalsContact C-N 3.33Å; L174-K176 PolarHBondContact O-N 2.54Å; K176-F179 PolarHBondContact O-N 2.82Å; K176-Q180 WeakPolarHBondContact O-CG 3.48Å; K176-Q180 PolarHBondContact O-N 2.8Å
177	T	98	Very high	97.6	Very high	66 Å²	66	51.7 Å²	51.7	41%	0.405	28%	0.284	S	S	.	.	H	α-helix	trans	-61.3	-47.8	177.7	-62.5	0	0	0	0	111.7	G173 L174 Q180 K181	G173-T177 PolarHBondContact O-N 3.01Å; G173-T177 PolarHBondContact O-OG1 2.99Å; L174-T177 PolarHBondContact O-N 2.82Å; T177-Q180 PolarHBondContact O-N 3.46Å; T177-K181 HydrophobicContact CG2-CD 4.46Å; T177-K181 WeakPolarHBondContact O-CG 3.03Å; T177-K181 PolarHBondContact O-N 3.03Å
178	E	98.1	Very high	97.5	Very high	39 Å²	39	50.5 Å²	50.5	18%	0.182	27%	0.274	C	S	.	.	H	α-helix	trans	-68.1	-36	178.7	-67.5	-53.3	135.9	0	0	112.2	F71 F98 L174 F175 K181 C182	F71-E178 HydrophobicContact CB-CB 4.45Å; F71-E178 HydrophobicContact CD1-CB 4.48Å; F71-E178 HydrophobicContact CD2-CB 4.09Å; F71-E178 HydrophobicContact CD2-CG 3.67Å; F71-E178 HydrophobicContact CE2-CB 4.46Å; F71-E178 HydrophobicContact CE2-CG 4Å; F71-E178 HydrophobicContact CG-CB 4.08Å; F71-E178 HydrophobicContact CG-CG 4.16Å; F98-E178 HydrophobicContact CD2-CB 4.24Å; F98-E178 HydrophobicContact CE2-CB 3.83Å; L174-E178 HydrophobicContact CD1-CG 4.25Å; L174-E178 PolarHBondContact O-N 2.87Å; F175-E178 PolarHBondContact O-N 3.03Å; E178-K181 PolarHBondContact O-N 2.96Å; E178-K181 IonicContact OE1-NZ 3.15Å; E178-K181 PolarHBondContact OE1-NZ 3.47Å; E178-K181 WeakPolarHBondContact OE2-CD 3.49Å; E178-K181 IonicContact OE2-NZ 2.96Å; E178-C182 PolarHBondContact O-N 2.86Å; E178-C182 PolarHBondContact O-SG 3.3Å
179	F	98.2	Very high	97.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.2	-47.8	175.6	-169.8	-87.1	0	0	0	110.8	F98 I125 L129 L131 F175 K176 K181 C182 Q183	F98-F179 HydrophobicContact CE1-CD2 4.17Å; F98-F179 HydrophobicContact CE2-CB 4.19Å; F98-F179 HydrophobicContact CZ-CB 4.02Å; F98-F179 AromaticContact CZ-CD2 3.83Å; F98-F179 HydrophobicContact CZ-CD2 3.83Å; F98-F179 HydrophobicContact CZ-CG 4.43Å; I125-F179 HydrophobicContact CD1-CD2 4.2Å; I125-F179 HydrophobicContact CD1-CE2 4.31Å; I125-F179 HydrophobicContact CG1-CD2 4.46Å; I125-F179 HydrophobicContact CG1-CE2 4.07Å; I125-F179 HydrophobicContact CG2-CD1 4.26Å; I125-F179 HydrophobicContact CG2-CD2 4.22Å; I125-F179 HydrophobicContact CG2-CE1 3.99Å; I125-F179 HydrophobicContact CG2-CE2 3.94Å; I125-F179 HydrophobicContact CG2-CG 4.38Å; I125-F179 HydrophobicContact CG2-CZ 3.83Å; L129-F179 HydrophobicContact CB-CE1 4.24Å; L129-F179 HydrophobicContact CB-CZ 4.18Å; L129-F179 HydrophobicContact CD1-CZ 4.03Å; L131-F179 HydrophobicContact CD1-CB 3.88Å; L131-F179 HydrophobicContact CD1-CD1 3.72Å; L131-F179 HydrophobicContact CD1-CD2 4.45Å; L131-F179 HydrophobicContact CD1-CE1 4.35Å; L131-F179 HydrophobicContact CD1-CG 3.77Å; L131-F179 HydrophobicContact CD2-CD1 4.35Å; L131-F179 HydrophobicContact CD2-CE1 4.17Å; L131-F179 HydrophobicContact CD2-CZ 4.25Å; L131-F179 HydrophobicContact CG-CD1 3.88Å; L131-F179 HydrophobicContact CG-CE1 4.02Å; L131-F179 HydrophobicContact CG-CG 4.33Å; F175-F179 HydrophobicContact CE1-CB 4.45Å; F175-F179 HydrophobicContact CE1-CD2 4.18Å; F175-F179 HydrophobicContact CZ-CD2 4.04Å; F175-F179 WeakPolarHBondContact O-CB 3.41Å; F175-F179 PolarHBondContact O-N 2.79Å; K176-F179 PolarHBondContact O-N 2.82Å; F179-K181 PolarHBondContact O-N 3.13Å; F179-C182 WeakPolarHBondContact O-CB 3.44Å; F179-C182 PolarHBondContact O-N 3.3Å; F179-C182 VanDerWaalsContact O-N 3.16Å; F179-Q183 HydrophobicContact CD1-CG 3.94Å; F179-Q183 VanDerWaalsContact CE1-CD 3.45Å; F179-Q183 HydrophobicContact CE1-CG 3.86Å; F179-Q183 WeakPolarHBondContact O-CG 3.3Å; F179-Q183 PolarHBondContact O-N 3.27Å
180	Q	97.5	Very high	96.9	Very high	101 Å²	101	51.2 Å²	51.2	47%	0.472	27%	0.271	S	S	.	.	H	α-helix	trans	-64.7	-37.2	177.8	-71.5	176.4	-31.5	0	0	112.8	K176 T177 C182 Q183 A184	K176-Q180 WeakPolarHBondContact O-CG 3.48Å; K176-Q180 PolarHBondContact O-N 2.8Å; T177-Q180 PolarHBondContact O-N 3.46Å; Q180-C182 VanDerWaalsContact C-N 3.33Å; Q180-Q183 WeakPolarHBondContact O-CB 3.4Å; Q180-Q183 PolarHBondContact O-N 3.45Å; Q180-A184 PolarHBondContact O-N 3.25Å
181	K	97.6	Very high	96.6	Very high	108 Å²	108	51.1 Å²	51.1	47%	0.47	27%	0.269	S	S	.	.	H	α-helix	trans	-60.6	-43.6	171.7	-73.6	172.9	-176.8	172.4	0	111.5	T177 E178 F179 A184 K185	T177-K181 HydrophobicContact CG2-CD 4.46Å; T177-K181 WeakPolarHBondContact O-CG 3.03Å; T177-K181 PolarHBondContact O-N 3.03Å; E178-K181 PolarHBondContact O-N 2.96Å; E178-K181 IonicContact OE1-NZ 3.15Å; E178-K181 PolarHBondContact OE1-NZ 3.47Å; E178-K181 WeakPolarHBondContact OE2-CD 3.49Å; E178-K181 IonicContact OE2-NZ 2.96Å; F179-K181 PolarHBondContact O-N 3.13Å; K181-A184 PolarHBondContact O-N 3.22Å; K181-K185 PolarHBondContact O-N 3.15Å; K181-K185 VanDerWaalsContact O-N 3.08Å
182	C	97.5	Very high	96.1	Very high	4 Å²	4	57 Å²	57	3%	0.027	29%	0.292	C	S	.	.	H	α-helix	trans	-66.2	-38.3	176.9	-65	0	0	0	0	112	I107 I125 E178 F179 Q180 K185 N186	I107-C182 HydrophobicContact CB-CB 4.44Å; I107-C182 HydrophobicContact CD1-CB 3.95Å; I107-C182 HydrophobicContact CG2-CB 3.99Å; I125-C182 HydrophobicContact CD1-CB 3.82Å; I125-C182 HydrophobicContact CG2-CB 4.12Å; E178-C182 PolarHBondContact O-N 2.86Å; E178-C182 PolarHBondContact O-SG 3.3Å; F179-C182 WeakPolarHBondContact O-CB 3.44Å; F179-C182 PolarHBondContact O-N 3.3Å; F179-C182 VanDerWaalsContact O-N 3.16Å; Q180-C182 VanDerWaalsContact C-N 3.33Å; C182-K185 PolarHBondContact O-N 3.14Å; C182-N186 PolarHBondContact O-N 3.21Å
183	Q	97.1	Very high	95.2	Very high	24 Å²	24	61.7 Å²	61.7	11%	0.112	32%	0.32	C	S	.	.	H	α-helix	trans	-58.9	-48.7	173.1	-72.3	-175.5	-64.3	0	0	111.7	I125 S126 L129 F179 Q180 K185 N186 E187	I125-Q183 HydrophobicContact CG2-CB 4.39Å; I125-Q183 HydrophobicContact CG2-CG 3.42Å; I125-Q183 VanDerWaalsContact CG2-CG 3.42Å; S126-Q183 PolarHBondContact O-NE2 2.87Å; L129-Q183 PolarHBondContact O-NE2 3.1Å; F179-Q183 HydrophobicContact CD1-CG 3.94Å; F179-Q183 VanDerWaalsContact CE1-CD 3.45Å; F179-Q183 HydrophobicContact CE1-CG 3.86Å; F179-Q183 WeakPolarHBondContact O-CG 3.3Å; F179-Q183 PolarHBondContact O-N 3.27Å; Q180-Q183 WeakPolarHBondContact O-CB 3.4Å; Q180-Q183 PolarHBondContact O-N 3.45Å; Q183-K185 VanDerWaalsContact C-N 3.31Å; Q183-K185 PolarHBondContact O-N 2.94Å; Q183-N186 PolarHBondContact O-N 2.81Å; Q183-E187 WeakPolarHBondContact O-CB 3.4Å; Q183-E187 PolarHBondContact O-N 3.21Å
184	A	96.8	Very high	93.4	Very high	57 Å²	57	70.7 Å²	70.7	47%	0.471	35%	0.354	S	S	.	.	H	α-helix	trans	-61.8	-38.5	178.9	0	0	0	0	0	112.3	Q180 K181 A188	Q180-A184 PolarHBondContact O-N 3.25Å; K181-A184 PolarHBondContact O-N 3.22Å; A184-A188 WeakPolarHBondContact O-CB 3.5Å; A184-A188 PolarHBondContact O-N 2.83Å; A184-A188 VanDerWaalsContact O-N 3.09Å
185	K	96.7	Very high	93.2	Very high	93 Å²	93	70.3 Å²	70.3	40%	0.404	35%	0.352	S	S	.	.	H	α-helix	trans	-62.8	-48.3	173.1	-79.1	-174.9	168.7	-167.1	0	112	E100 I107 K181 C182 Q183 E187 A188 I189	E100-K185 IonicContact OE1-NZ 2.59Å; E100-K185 PolarHBondContact OE1-NZ 2.88Å; I107-K185 HydrophobicContact CD1-CB 3.8Å; I107-K185 HydrophobicContact CD1-CD 3.56Å; I107-K185 HydrophobicContact CD1-CG 4.36Å; K181-K185 PolarHBondContact O-N 3.15Å; K181-K185 VanDerWaalsContact O-N 3.08Å; C182-K185 PolarHBondContact O-N 3.14Å; Q183-K185 VanDerWaalsContact C-N 3.31Å; Q183-K185 PolarHBondContact O-N 2.94Å; K185-E187 VanDerWaalsContact C-N 3.35Å; K185-E187 PolarHBondContact O-N 3.37Å; K185-A188 PolarHBondContact O-N 2.89Å; K185-I189 WeakPolarHBondContact O-CD1 2.94Å; K185-I189 WeakPolarHBondContact O-CG1 3.13Å; K185-I189 PolarHBondContact O-N 2.99Å; K185-I189 VanDerWaalsContact O-N 3.12Å
186	N	96.8	Very high	92.9	Very high	7 Å²	7	73.9 Å²	73.9	4%	0.037	37%	0.37	C	S	.	.	H	α-helix	trans	-62.9	-40.7	178.5	-81.4	-9.3	0	0	0	112	I107 I125 C182 Q183 A188 I189 E190	I107-N186 PolarHBondContact N-OD1 3.4Å; I107-N186 PolarHBondContact O-ND2 3.08Å; I125-N186 PolarHBondContact O-ND2 2.98Å; C182-N186 PolarHBondContact O-N 3.21Å; Q183-N186 PolarHBondContact O-N 2.81Å; N186-A188 VanDerWaalsContact C-N 3.3Å; N186-A188 PolarHBondContact O-N 2.76Å; N186-I189 WeakPolarHBondContact O-CB 2.82Å; N186-I189 PolarHBondContact O-N 2.88Å; N186-I189 VanDerWaalsContact O-N 3.07Å; N186-E190 WeakPolarHBondContact O-CG 3.17Å; N186-E190 PolarHBondContact O-N 2.75Å
187	E	96.5	Very high	92.7	Very high	78 Å²	78	75.1 Å²	75.1	36%	0.364	38%	0.378	S	S	.	.	H	α-helix	trans	-60.1	-40.8	175	-164.6	-173.6	163.4	0	0	111.7	P127 Q183 K185 I189 E190 K191	P127-E187 HydrophobicContact CB-CB 3.98Å; P127-E187 HydrophobicContact CB-CG 4.1Å; P127-E187 HydrophobicContact CG-CB 3.55Å; P127-E187 HydrophobicContact CG-CG 3.99Å; Q183-E187 WeakPolarHBondContact O-CB 3.4Å; Q183-E187 PolarHBondContact O-N 3.21Å; K185-E187 VanDerWaalsContact C-N 3.35Å; K185-E187 PolarHBondContact O-N 3.37Å; E187-I189 VanDerWaalsContact C-N 3.27Å; E187-I189 PolarHBondContact O-N 2.95Å; E187-E190 PolarHBondContact O-N 2.74Å; E187-K191 WeakPolarHBondContact O-CG 3.27Å; E187-K191 PolarHBondContact O-N 2.85Å; E187-K191 VanDerWaalsContact O-N 3.12Å; E187-K191 WeakPolarHBondContact OE1-CE 3.32Å; E187-K191 IonicContact OE1-NZ 2.91Å; E187-K191 PolarHBondContact OE1-NZ 3.17Å
188	A	95.2	Very high	92.3	Very high	48 Å²	48	75.6 Å²	75.6	40%	0.397	38%	0.376	S	S	.	.	H	α-helix	trans	-68.4	-25.1	176.5	0	0	0	0	0	113.2	A184 K185 N186 K192	A184-A188 WeakPolarHBondContact O-CB 3.5Å; A184-A188 PolarHBondContact O-N 2.83Å; A184-A188 VanDerWaalsContact O-N 3.09Å; K185-A188 PolarHBondContact O-N 2.89Å; N186-A188 VanDerWaalsContact C-N 3.3Å; N186-A188 PolarHBondContact O-N 2.76Å; A188-K192 VanDerWaalsContact O-CG 3.29Å; A188-K192 WeakPolarHBondContact O-CG 3.32Å
189	I	93.2	Very high	92	Very high	27 Å²	27	77.9 Å²	77.9	14%	0.138	39%	0.388	C	S	.	.	H	α-helix	trans	-79.7	-43.2	175.7	-67	159.2	0	0	0	110.5	K105 R106 K185 N186 E187 K191 K192 T193	K105-I189 VanDerWaalsContact C-CD1 3.46Å; K105-I189 HydrophobicContact CB-CD1 3.66Å; K105-I189 HydrophobicContact CB-CG1 4.34Å; K105-I189 WeakPolarHBondContact O-CD1 3.41Å; R106-I189 HydrophobicContact CG-CG2 4.26Å; K185-I189 WeakPolarHBondContact O-CD1 2.94Å; K185-I189 WeakPolarHBondContact O-CG1 3.13Å; K185-I189 PolarHBondContact O-N 2.99Å; K185-I189 VanDerWaalsContact O-N 3.12Å; N186-I189 WeakPolarHBondContact O-CB 2.82Å; N186-I189 PolarHBondContact O-N 2.88Å; N186-I189 VanDerWaalsContact O-N 3.07Å; E187-I189 VanDerWaalsContact C-N 3.27Å; E187-I189 PolarHBondContact O-N 2.95Å; I189-K191 VanDerWaalsContact C-N 3.34Å; I189-K191 PolarHBondContact O-N 3.12Å; I189-K192 PolarHBondContact O-N 2.68Å; I189-K192 VanDerWaalsContact O-N 3.11Å; I189-T193 PolarHBondContact O-N 3.11Å; I189-T193 PolarHBondContact O-OG1 3.41Å
190	E	90.5	Very high	91.6	Very high	78 Å²	78	83.1 Å²	83.1	36%	0.364	41%	0.414	S	S	.	.	H	α-helix	trans	-56.6	-48.5	175.9	-72.7	174.2	179	0	0	110.4	N186 E187 K192 T193 E194	N186-E190 WeakPolarHBondContact O-CG 3.17Å; N186-E190 PolarHBondContact O-N 2.75Å; E187-E190 PolarHBondContact O-N 2.74Å; E190-K192 PolarHBondContact O-N 3.06Å; E190-T193 PolarHBondContact O-N 2.84Å; E190-E194 PolarHBondContact O-N 2.85Å
191	K	90.8	Very high	91.1	Very high	128 Å²	128	81.9 Å²	81.9	56%	0.557	41%	0.41	S	S	*	.	H	α-helix	trans	-64.5	-18	176.8	-69.6	174.6	-174.9	169	0	115.6	E187 I189	E187-K191 WeakPolarHBondContact O-CG 3.27Å; E187-K191 PolarHBondContact O-N 2.85Å; E187-K191 VanDerWaalsContact O-N 3.12Å; E187-K191 WeakPolarHBondContact OE1-CE 3.32Å; E187-K191 IonicContact OE1-NZ 2.91Å; E187-K191 PolarHBondContact OE1-NZ 3.17Å; I189-K191 VanDerWaalsContact C-N 3.34Å; I189-K191 PolarHBondContact O-N 3.12Å
192	K	87.4	Confident	90.6	Very high	176 Å²	176	79.8 Å²	79.8	77%	0.765	41%	0.405	S	S	*	.	H	α-helix	trans	-89	-18.1	175.5	-77.3	175	-177.4	-179.4	0	112.8	A188 I189 E190	A188-K192 VanDerWaalsContact O-CG 3.29Å; A188-K192 WeakPolarHBondContact O-CG 3.32Å; I189-K192 PolarHBondContact O-N 2.68Å; I189-K192 VanDerWaalsContact O-N 3.11Å; E190-K192 PolarHBondContact O-N 3.06Å
193	T	78.6	Confident	90.1	Very high	99 Å²	99	86.2 Å²	86.2	61%	0.607	44%	0.437	S	S	*	.	H	α-helix	trans	-94.9	-21.1	-176.2	-46.6	0	0	0	0	111.4	I189 E190	I189-T193 PolarHBondContact O-N 3.11Å; I189-T193 PolarHBondContact O-OG1 3.41Å; E190-T193 PolarHBondContact O-N 2.84Å
194	E	61.2	Low	89.4	Confident	219 Å²	219	91.8 Å²	91.8	100%	1.023	47%	0.466	S	S	*	.			trans	-79.5	0	167.2	-65.4	-178.4	171.7	0	0	112.1	E190	E190-E194 PolarHBondContact O-N 2.85Å

Retrieved 194 of 194 residues in 117.8 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).