A0A3Q0KBC2_SCHMA Loading...

Eggshell protein

AlphaFold DB , UniProt , Accession A0A3Q0KBC2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 247 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.4	Very low	29.1	Very low	245 Å²	245	168.1 Å²	168.1	100%	1.207	82%	0.823	S	S	*	*				0	135.2	0	-76	175.3	178.1	0	0	108.1
2	V	33.2	Very low	28.8	Very low	137 Å²	137	169.3 Å²	169.3	83%	0.83	83%	0.826	S	S	*	*			trans	-67.4	130.1	-163.3	178	0	0	0	0	112.1	S4	V2-S4 PolarHBondContact O-N 3.35Å; V2-S4 VanDerWaalsContact O-N 3.1Å
3	Y	29.5	Very low	28.8	Very low	227 Å²	227	170.5 Å²	170.5	89%	0.89	82%	0.818	S	S	*	*			trans	-61.7	102.4	171.4	-113.9	-100.6	0	0	0	109.5	G5	Y3-G5 PolarHBondContact O-N 3.16Å; Y3-G5 VanDerWaalsContact O-N 3.08Å
4	S	31.1	Very low	28.6	Very low	94 Å²	94	171.9 Å²	171.9	66%	0.657	82%	0.823	S	S	*	*			trans	-79.2	88.1	169.7	-79.2	0	0	0	0	109.2	V2 H6	V2-S4 PolarHBondContact O-N 3.35Å; V2-S4 VanDerWaalsContact O-N 3.1Å; S4-H6 PolarHBondContact O-N 3.16Å
5	G	26.1	Very low	28.4	Very low	64 Å²	64	170.4 Å²	170.4	66%	0.66	82%	0.819	S	S	*	*			trans	-66.6	96.2	165.3	0	0	0	0	0	109.4	Y3 R7	Y3-G5 PolarHBondContact O-N 3.16Å; Y3-G5 VanDerWaalsContact O-N 3.08Å; G5-R7 PolarHBondContact O-N 3.25Å
6	H	27.4	Very low	28.4	Very low	176 Å²	176	168.6 Å²	168.6	82%	0.815	82%	0.815	S	S	*	*			trans	-67.5	100.4	167.5	-75.5	-55.9	0	0	0	108.5	S4 N8	S4-H6 PolarHBondContact O-N 3.16Å; H6-N8 PolarHBondContact O-N 3.02Å
7	R	27	Very low	28.5	Very low	231 Å²	231	164.2 Å²	164.2	87%	0.872	81%	0.806	S	S	*	*			trans	-53.9	131.5	172.6	-72.5	-179.8	-172.1	-172.5	1.4	109.8	G5 K9	G5-R7 PolarHBondContact O-N 3.25Å; R7-K9 PolarHBondContact O-N 3.37Å; R7-K9 VanDerWaalsContact O-N 3.09Å
8	N	28.3	Very low	28.5	Very low	140 Å²	140	159.4 Å²	159.4	75%	0.749	80%	0.797	S	S	*	*			trans	-42.7	109.9	169.5	-63.1	-49.4	0	0	0	110.7	H6 Y10	H6-N8 PolarHBondContact O-N 3.02Å; N8-Y10 PolarHBondContact O-N 3.37Å; N8-Y10 VanDerWaalsContact O-N 3.12Å
9	K	27.9	Very low	28.5	Very low	187 Å²	187	162.5 Å²	162.5	81%	0.813	80%	0.8	S	S	*	*			trans	-69.9	103.6	159.9	-75	-175.7	177.5	-178.1	0	105.9	R7 D11	R7-K9 PolarHBondContact O-N 3.37Å; R7-K9 VanDerWaalsContact O-N 3.09Å; K9-D11 VanDerWaalsContact C-N 3.28Å; K9-D11 PolarHBondContact O-N 2.88Å
10	Y	27	Very low	28.2	Very low	209 Å²	209	162.9 Å²	162.9	82%	0.82	80%	0.8	S	S	*	*			trans	-63.2	97.3	161.5	-83.9	-97.5	0	0	0	106.3	N8 Q12	N8-Y10 PolarHBondContact O-N 3.37Å; N8-Y10 VanDerWaalsContact O-N 3.12Å; Y10-Q12 PolarHBondContact O-N 2.87Å
11	D	26.3	Very low	28.1	Very low	139 Å²	139	163.2 Å²	163.2	74%	0.743	80%	0.8	S	S	*	*			trans	-62.7	107.6	169	-71.9	-37	0	0	0	107.1	K9 Y13	K9-D11 VanDerWaalsContact C-N 3.28Å; K9-D11 PolarHBondContact O-N 2.88Å; D11-Y13 PolarHBondContact O-N 3.48Å
12	Q	25.2	Very low	27.6	Very low	183 Å²	183	156.8 Å²	156.8	86%	0.855	78%	0.776	S	S	*	*			trans	-60.2	116.6	176.4	-71.4	178	-58.2	0	0	108.4	Y10 Q14	Y10-Q12 PolarHBondContact O-N 2.87Å; Q12-Q14 PolarHBondContact O-N 2.95Å
13	Y	28.8	Very low	27.4	Very low	185 Å²	185	157.4 Å²	157.4	73%	0.725	78%	0.775	S	S	*	*			trans	-59.1	104.5	169.3	-70.4	-90.6	0	0	0	109.4	D11 I15	D11-Y13 PolarHBondContact O-N 3.48Å; Y13-I15 PolarHBondContact O-N 2.73Å; Y13-I15 VanDerWaalsContact O-N 3.09Å
14	Q	25.7	Very low	27.4	Very low	190 Å²	190	155 Å²	155	89%	0.888	77%	0.771	S	S	*	*			trans	-71.3	98.3	163.3	-75.6	-175	-17.7	0	0	107.8	Q12 N16	Q12-Q14 PolarHBondContact O-N 2.95Å; Q14-N16 PolarHBondContact O-N 2.94Å; Q14-N16 VanDerWaalsContact O-N 3.11Å
15	I	26.6	Very low	27.1	Very low	149 Å²	149	156.3 Å²	156.3	76%	0.764	77%	0.771	S	S	*	*			trans	-66.9	107.7	165	-61.8	172.1	0	0	0	106.2	Y13 S17	Y13-I15 PolarHBondContact O-N 2.73Å; Y13-I15 VanDerWaalsContact O-N 3.09Å; I15-S17 PolarHBondContact O-N 3.06Å
16	N	27.2	Very low	27.3	Very low	142 Å²	142	159.8 Å²	159.8	76%	0.759	77%	0.774	S	S	*	*			trans	-60.3	110.5	178.3	-131.4	-16.9	0	0	0	108.9	Q14 A18	Q14-N16 PolarHBondContact O-N 2.94Å; Q14-N16 VanDerWaalsContact O-N 3.11Å; N16-A18 PolarHBondContact O-N 2.82Å; N16-A18 VanDerWaalsContact O-N 3.07Å
17	S	30.5	Very low	27.2	Very low	94 Å²	94	159.7 Å²	159.7	66%	0.657	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-71.6	2	-174.8	-49.3	0	0	0	0	114.2	I15 Y19	I15-S17 PolarHBondContact O-N 3.06Å; S17-Y19 VanDerWaalsContact C-N 3.27Å; S17-Y19 PolarHBondContact O-N 3.32Å
18	A	28.7	Very low	27.1	Very low	77 Å²	77	158.8 Å²	158.8	64%	0.636	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-76.5	-4.9	-174.5	0	0	0	0	0	115	N16	N16-A18 PolarHBondContact O-N 2.82Å; N16-A18 VanDerWaalsContact O-N 3.07Å
19	Y	27.7	Very low	27	Very low	218 Å²	218	158.7 Å²	158.7	86%	0.855	77%	0.769	S	S	*	*	G	3₁₀ helix	trans	-129	52.8	176.5	-66.6	-80.6	0	0	0	112.1	S17 Q21	S17-Y19 VanDerWaalsContact C-N 3.27Å; S17-Y19 PolarHBondContact O-N 3.32Å; Y19-Q21 PolarHBondContact O-N 2.92Å
20	Q	23.3	Very low	27.1	Very low	171 Å²	171	152.3 Å²	152.3	80%	0.799	76%	0.757	S	S	*	*			trans	-84.2	95.2	158.8	-76.8	-176.1	6.6	0	0	108.7
21	Q	25.5	Very low	27.1	Very low	170 Å²	170	147.6 Å²	147.6	79%	0.794	75%	0.745	S	S	*	*			trans	-59.9	146	159.7	-81	-90.7	-41.6	0	0	109.3	Y19 N23	Y19-Q21 PolarHBondContact O-N 2.92Å; Q21-N23 PolarHBondContact O-N 2.91Å; Q21-N23 VanDerWaalsContact O-N 3.15Å
22	P	26.1	Very low	27.2	Very low	109 Å²	109	148.1 Å²	148.1	71%	0.708	75%	0.748	S	S	*	*			trans	-63.1	116	-177.6	23.3	-31.3	0	0	0	111.3	Q24	P22-Q24 PolarHBondContact O-N 2.84Å
23	N	30.3	Very low	27.6	Very low	151 Å²	151	148.2 Å²	148.2	81%	0.807	74%	0.742	S	S	*	*			trans	-53.1	97.9	165.3	-93.1	-33.2	0	0	0	110	Q21 N25	Q21-N23 PolarHBondContact O-N 2.91Å; Q21-N23 VanDerWaalsContact O-N 3.15Å; N23-N25 VanDerWaalsContact C-N 3.25Å; N23-N25 PolarHBondContact O-N 3.45Å; N23-N25 VanDerWaalsContact O-N 3.13Å
24	Q	27.7	Very low	27.5	Very low	176 Å²	176	144.8 Å²	144.8	82%	0.822	74%	0.74	S	S	*	*			trans	-81	88.1	155	-71.7	-153.4	-11.8	0	0	108	P22 N26	P22-Q24 PolarHBondContact O-N 2.84Å; Q24-N26 PolarHBondContact O-N 2.72Å
25	N	25.1	Very low	27.7	Very low	121 Å²	121	141.3 Å²	141.3	65%	0.647	73%	0.728	S	S	*	*			trans	-72.6	63.2	-175.8	-152.3	5.5	0	0	0	110.5	N23 K27	N23-N25 VanDerWaalsContact C-N 3.25Å; N23-N25 PolarHBondContact O-N 3.45Å; N23-N25 VanDerWaalsContact O-N 3.13Å; N25-K27 VanDerWaalsContact C-N 3.33Å; N25-K27 PolarHBondContact O-N 3.2Å; N25-K27 VanDerWaalsContact O-N 3.12Å
26	N	31.2	Very low	27.8	Very low	137 Å²	137	143 Å²	143	73%	0.733	73%	0.73	S	S	*	*			trans	-84.1	85.5	170.4	-78.8	-10.4	0	0	0	108.6	Q24 Y28	Q24-N26 PolarHBondContact O-N 2.72Å; N26-Y28 PolarHBondContact O-N 2.7Å
27	K	24.5	Very low	27.8	Very low	175 Å²	175	146 Å²	146	76%	0.761	73%	0.732	S	S	*	*			trans	-51.5	98.3	166.2	-75	178.2	176.2	178.3	0	109.1	N25	N25-K27 VanDerWaalsContact C-N 3.33Å; N25-K27 PolarHBondContact O-N 3.2Å; N25-K27 VanDerWaalsContact O-N 3.12Å
28	Y	25.5	Very low	27.8	Very low	212 Å²	212	147.3 Å²	147.3	83%	0.831	74%	0.739	S	S	*	*			trans	-92.6	102.2	164.1	-118.5	-95.2	0	0	0	107.4	N26 G30	N26-Y28 PolarHBondContact O-N 2.7Å; Y28-G30 PolarHBondContact O-N 2.88Å
29	N	26.6	Very low	27.8	Very low	138 Å²	138	149 Å²	149	74%	0.738	75%	0.746	S	S	*	*			trans	-72.5	73.4	164.1	-73.1	-5.1	0	0	0	107.6	D31	N29-D31 VanDerWaalsContact C-N 3.31Å; N29-D31 PolarHBondContact O-N 3.33Å
30	G	29.4	Very low	27.6	Very low	53 Å²	53	141.4 Å²	141.4	55%	0.546	73%	0.734	S	S	.	*			trans	-80	87.7	162.4	0	0	0	0	0	107	Y28 D32	Y28-G30 PolarHBondContact O-N 2.88Å; G30-D32 VanDerWaalsContact C-N 3.35Å; G30-D32 PolarHBondContact O-N 3.07Å
31	D	27.1	Very low	27.8	Very low	109 Å²	109	141 Å²	141	58%	0.583	74%	0.737	S	S	*	*			trans	-60	100.1	171.4	-65.9	-35.5	0	0	0	108.1	N29 Y33	N29-D31 VanDerWaalsContact C-N 3.31Å; N29-D31 PolarHBondContact O-N 3.33Å; D31-Y33 HydrophobicContact CB-CD2 3.98Å; D31-Y33 HydrophobicContact CB-CE2 3.56Å; D31-Y33 WeakPolarHBondContact O-CD2 3.36Å; D31-Y33 PolarHBondContact O-N 3Å
32	D	28.8	Very low	27.7	Very low	150 Å²	150	143.4 Å²	143.4	80%	0.802	74%	0.74	S	S	*	*			trans	-64.6	87.9	167.5	-79.7	-33.2	0	0	0	107.9	G30 T34	G30-D32 VanDerWaalsContact C-N 3.35Å; G30-D32 PolarHBondContact O-N 3.07Å; D32-T34 PolarHBondContact O-N 2.99Å
33	Y	32.2	Very low	27.8	Very low	186 Å²	186	148.9 Å²	148.9	73%	0.729	75%	0.748	S	S	*	*			trans	-67.4	68.1	167.6	-73.2	-89.1	0	0	0	109.6	D31 N35	D31-Y33 HydrophobicContact CB-CD2 3.98Å; D31-Y33 HydrophobicContact CB-CE2 3.56Å; D31-Y33 WeakPolarHBondContact O-CD2 3.36Å; D31-Y33 PolarHBondContact O-N 3Å; Y33-N35 PolarHBondContact O-N 3.19Å
34	T	28.6	Very low	27.6	Very low	112 Å²	112	146.5 Å²	146.5	69%	0.687	74%	0.744	S	S	*	*			trans	-74.2	84.6	161.1	-51	0	0	0	0	106.2	D32 K36	D32-T34 PolarHBondContact O-N 2.99Å; T34-K36 PolarHBondContact O-N 3.06Å
35	N	28.5	Very low	27.6	Very low	117 Å²	117	143 Å²	143	63%	0.626	74%	0.736	S	S	*	*			trans	-57.4	87	166.7	-91.4	-22.1	0	0	0	108.6	Y33 Y37	Y33-N35 PolarHBondContact O-N 3.19Å; N35-Y37 VanDerWaalsContact C-N 3.26Å; N35-Y37 HydrophobicContact CB-CE2 4.37Å; N35-Y37 WeakPolarHBondContact O-CD2 3.49Å; N35-Y37 PolarHBondContact O-N 2.76Å
36	K	29.8	Very low	27.5	Very low	185 Å²	185	142.9 Å²	142.9	80%	0.804	74%	0.74	S	S	*	*			trans	-69.5	93.4	157.8	-82.8	-177.4	176.9	177.5	0	106	T34 P38	T34-K36 PolarHBondContact O-N 3.06Å; K36-P38 WeakPolarHBondContact O-CD 3.28Å; K36-P38 VanDerWaalsContact O-N 3.15Å
37	Y	26.7	Very low	27.3	Very low	204 Å²	204	143.1 Å²	143.1	80%	0.8	74%	0.741	S	S	*	*			trans	-51.9	113.7	167.5	-71.9	-91.3	0	0	0	109.2	N35 S39	N35-Y37 VanDerWaalsContact C-N 3.26Å; N35-Y37 HydrophobicContact CB-CE2 4.37Å; N35-Y37 WeakPolarHBondContact O-CD2 3.49Å; N35-Y37 PolarHBondContact O-N 2.76Å; Y37-S39 PolarHBondContact O-N 2.91Å
38	P	30.6	Very low	27.4	Very low	123 Å²	123	141.7 Å²	141.7	80%	0.799	74%	0.742	S	S	*	*			trans	-75.4	104.8	157.6	-0.5	21.2	0	0	0	105	K36 G40	K36-P38 WeakPolarHBondContact O-CD 3.28Å; K36-P38 VanDerWaalsContact O-N 3.15Å; P38-G40 PolarHBondContact O-N 3.05Å
39	S	29.1	Very low	27.3	Very low	113 Å²	113	140.4 Å²	140.4	79%	0.79	74%	0.743	S	S	*	*			trans	-50.5	130.9	168.7	54.5	0	0	0	0	109	Y37	Y37-S39 PolarHBondContact O-N 2.91Å
40	G	22.9	Very low	27.2	Very low	58 Å²	58	143.5 Å²	143.5	60%	0.598	75%	0.746	S	S	*	*			trans	-57.2	152.3	-162.3	0	0	0	0	0	115.7	P38	P38-G40 PolarHBondContact O-N 3.05Å
41	N	27	Very low	26.9	Very low	161 Å²	161	144.1 Å²	144.1	86%	0.861	75%	0.753	S	S	*	*			trans	-130	108.6	140.4	-87.2	-34.3	0	0	0	106.5	Y43	N41-Y43 PolarHBondContact O-N 3.4Å; N41-Y43 VanDerWaalsContact O-N 3.12Å
42	Y	24.4	Very low	26.9	Very low	222 Å²	222	144.1 Å²	144.1	87%	0.871	75%	0.753	S	S	*	*			trans	-57.7	108.7	172.2	-86	-105.7	0	0	0	109
43	Y	27.6	Very low	26.7	Very low	223 Å²	223	144.4 Å²	144.4	88%	0.875	75%	0.754	S	S	*	*			trans	-129.4	105.6	151.8	-92.3	-85.6	0	0	0	106.8	N41 P45	N41-Y43 PolarHBondContact O-N 3.4Å; N41-Y43 VanDerWaalsContact O-N 3.12Å; Y43-P45 VanDerWaalsContact C-CD 3.46Å; Y43-P45 WeakPolarHBondContact O-CD 3.46Å
44	S	25.2	Very low	26.5	Very low	102 Å²	102	144.2 Å²	144.2	71%	0.713	75%	0.754	S	S	*	*			trans	-102.2	92.4	174.5	175.1	0	0	0	0	108.1
45	P	28.2	Very low	26.6	Very low	103 Å²	103	146.3 Å²	146.3	67%	0.669	76%	0.761	S	S	*	*			trans	-92.5	105.3	154.6	30.5	-19.2	0	0	0	107.4	Y43 D47	Y43-P45 VanDerWaalsContact C-CD 3.46Å; Y43-P45 WeakPolarHBondContact O-CD 3.46Å; P45-D47 PolarHBondContact O-N 2.94Å
46	T	24.3	Very low	26.5	Very low	117 Å²	117	147.6 Å²	147.6	72%	0.718	77%	0.767	S	S	*	*			trans	-58.7	98.6	161.7	43.4	0	0	0	0	109.2
47	D	27	Very low	26.5	Very low	143 Å²	143	145.5 Å²	145.5	77%	0.765	77%	0.765	S	S	*	*			trans	-124.4	86.5	159	-80.9	-38.6	0	0	0	108.8	P45 Q49	P45-D47 PolarHBondContact O-N 2.94Å; D47-Q49 PolarHBondContact O-N 2.81Å
48	N	25	Very low	26.8	Very low	144 Å²	144	144.3 Å²	144.3	77%	0.77	76%	0.764	S	S	*	*			trans	-52.5	102.8	160.6	-86.2	-39.3	0	0	0	109.1
49	Q	25.3	Very low	26.7	Very low	185 Å²	185	144.3 Å²	144.3	86%	0.864	76%	0.757	S	S	*	*			trans	-121.9	96.1	156.8	-70.3	-168.3	-6.7	0	0	108.9	D47 G51	D47-Q49 PolarHBondContact O-N 2.81Å; Q49-G51 PolarHBondContact O-N 3.19Å
50	Y	23.4	Very low	27	Very low	203 Å²	203	145.6 Å²	145.6	80%	0.796	76%	0.755	S	S	*	*			trans	-44.6	123.1	164.2	-85.9	-109.3	0	0	0	110.6
51	G	23.5	Very low	27.3	Very low	67 Å²	67	148.5 Å²	148.5	69%	0.691	76%	0.757	S	S	*	*			trans	-148.8	56.5	171.5	0	0	0	0	0	110.2	Q49 N53	Q49-G51 PolarHBondContact O-N 3.19Å; G51-N53 PolarHBondContact O-N 3.01Å; G51-N53 VanDerWaalsContact O-N 3.16Å
52	N	26.1	Very low	27.3	Very low	108 Å²	108	148 Å²	148	58%	0.578	76%	0.755	S	S	*	*			trans	-67.7	102.3	172.5	-71.7	-35.7	0	0	0	109.4	Y54	N52-Y54 HydrophobicContact CB-CD2 4.28Å; N52-Y54 HydrophobicContact CB-CE2 4.06Å
53	N	25.7	Very low	27.5	Very low	156 Å²	156	147.5 Å²	147.5	83%	0.834	75%	0.753	S	S	*	*			trans	-116.9	97.7	160.6	-84.9	-31.8	0	0	0	108.4	G51 D55	G51-N53 PolarHBondContact O-N 3.01Å; G51-N53 VanDerWaalsContact O-N 3.16Å; N53-D55 PolarHBondContact O-N 3.33Å
54	Y	28.4	Very low	27.4	Very low	183 Å²	183	140.1 Å²	140.1	72%	0.718	74%	0.744	S	S	*	*			trans	-78.2	89.9	173.3	-73.8	-90.6	0	0	0	109.6	N52 N56	N52-Y54 HydrophobicContact CB-CD2 4.28Å; N52-Y54 HydrophobicContact CB-CE2 4.06Å; Y54-N56 PolarHBondContact O-N 3.22Å
55	D	29.4	Very low	27.8	Very low	156 Å²	156	140 Å²	140	83%	0.834	74%	0.743	S	S	*	*			trans	-89.3	90.5	162.7	-85.6	-32.1	0	0	0	109.5	N53 N57	N53-D55 PolarHBondContact O-N 3.33Å; D55-N57 PolarHBondContact O-N 2.87Å
56	N	27.7	Very low	27.7	Very low	143 Å²	143	140.3 Å²	140.3	77%	0.765	75%	0.748	S	S	*	*			trans	-67	73.4	172.1	-79.9	-45.2	0	0	0	110.9	Y54 K58	Y54-N56 PolarHBondContact O-N 3.22Å; N56-K58 PolarHBondContact O-N 3.08Å; N56-K58 VanDerWaalsContact O-N 3.16Å
57	N	28.8	Very low	28	Very low	142 Å²	142	141.4 Å²	141.4	76%	0.759	75%	0.749	S	S	*	*			trans	-85.4	88.8	170.4	-145.1	-4.7	0	0	0	109.3	D55 N59	D55-N57 PolarHBondContact O-N 2.87Å; N57-N59 VanDerWaalsContact C-N 3.26Å; N57-N59 PolarHBondContact O-N 3.3Å
58	K	33.2	Very low	27.9	Very low	179 Å²	179	144.6 Å²	144.6	78%	0.778	75%	0.752	S	S	*	*			trans	-61.5	85.7	169.7	-79.5	178.5	176.1	176.3	0	109.3	N56 D60	N56-K58 PolarHBondContact O-N 3.08Å; N56-K58 VanDerWaalsContact O-N 3.16Å; K58-D60 PolarHBondContact O-N 2.87Å
59	N	29.4	Very low	27.9	Very low	122 Å²	122	145.4 Å²	145.4	65%	0.652	75%	0.751	S	S	*	*			trans	-89	92.5	168	-122.2	-6.8	0	0	0	107.8	N57 N61	N57-N59 VanDerWaalsContact C-N 3.26Å; N57-N59 PolarHBondContact O-N 3.3Å; N59-N61 PolarHBondContact O-N 3.14Å
60	D	34.2	Very low	28.1	Very low	141 Å²	141	141.6 Å²	141.6	75%	0.754	74%	0.743	S	S	*	*			trans	-66.8	80	170.9	-66.4	-35.1	0	0	0	108.8	K58 N62	K58-D60 PolarHBondContact O-N 2.87Å; D60-N62 PolarHBondContact O-N 3.12Å
61	N	29.5	Very low	28.2	Very low	118 Å²	118	138.5 Å²	138.5	63%	0.631	75%	0.745	S	S	*	*			trans	-71.5	81.9	172.5	-75.3	-40.2	0	0	0	109.1	N59 Y63	N59-N61 PolarHBondContact O-N 3.14Å; N61-Y63 VanDerWaalsContact C-N 3.27Å; N61-Y63 HydrophobicContact CB-CD2 4.2Å; N61-Y63 HydrophobicContact CB-CE2 4.18Å; N61-Y63 PolarHBondContact O-N 2.77Å
62	N	27.2	Very low	28.3	Very low	152 Å²	152	140 Å²	140	81%	0.813	75%	0.745	S	S	*	*			trans	-67.2	80.7	172.5	-168.2	13	0	0	0	109.6	D60 G64	D60-N62 PolarHBondContact O-N 3.12Å; N62-G64 VanDerWaalsContact C-N 3.34Å; N62-G64 PolarHBondContact O-N 2.95Å
63	Y	27.9	Very low	28.2	Very low	211 Å²	211	145.4 Å²	145.4	83%	0.827	76%	0.759	S	S	*	*			trans	-72.1	93.8	169.8	-87.1	-87.8	0	0	0	108.7	N61 S65	N61-Y63 VanDerWaalsContact C-N 3.27Å; N61-Y63 HydrophobicContact CB-CD2 4.2Å; N61-Y63 HydrophobicContact CB-CE2 4.18Å; N61-Y63 PolarHBondContact O-N 2.77Å; Y63-S65 PolarHBondContact O-N 3.04Å
64	G	25.2	Very low	28.2	Very low	68 Å²	68	144.3 Å²	144.3	70%	0.701	75%	0.753	S	S	*	*			trans	-56.7	104.6	170.3	0	0	0	0	0	110.5	N62 S66	N62-G64 VanDerWaalsContact C-N 3.34Å; N62-G64 PolarHBondContact O-N 2.95Å; G64-S66 PolarHBondContact O-N 2.89Å
65	S	33.8	Very low	28.1	Very low	98 Å²	98	140.3 Å²	140.3	69%	0.685	75%	0.752	S	S	*	*			trans	-55.3	105.7	167.1	158.6	0	0	0	0	109.1	Y63 N67	Y63-S65 PolarHBondContact O-N 3.04Å; S65-N67 PolarHBondContact O-N 3.37Å; S65-N67 VanDerWaalsContact O-N 3.12Å
66	S	27.7	Very low	27.8	Very low	110 Å²	110	143.1 Å²	143.1	77%	0.769	75%	0.752	S	S	*	*			trans	-64.3	112.5	172.7	59.3	0	0	0	0	109.3	G64 Y68	G64-S66 PolarHBondContact O-N 2.89Å; S66-Y68 VanDerWaalsContact C-N 3.34Å; S66-Y68 PolarHBondContact O-N 2.86Å
67	N	29.1	Very low	27.9	Very low	140 Å²	140	142 Å²	142	75%	0.749	75%	0.75	S	S	*	*			trans	-62.6	85.5	177	-67.7	-34.6	0	0	0	111.2	S65 Q69	S65-N67 PolarHBondContact O-N 3.37Å; S65-N67 VanDerWaalsContact O-N 3.12Å; N67-Q69 PolarHBondContact O-N 2.92Å
68	Y	25.8	Very low	27.7	Very low	210 Å²	210	143 Å²	143	82%	0.824	76%	0.756	S	S	*	*			trans	-81.4	100.6	164.8	-157.6	-94.6	0	0	0	107.8	S66 P70	S66-Y68 VanDerWaalsContact C-N 3.34Å; S66-Y68 PolarHBondContact O-N 2.86Å; Y68-P70 VanDerWaalsContact O-CD 3.27Å; Y68-P70 WeakPolarHBondContact O-CD 3.33Å
69	Q	25.1	Very low	27.4	Very low	162 Å²	162	144.8 Å²	144.8	76%	0.757	76%	0.759	S	S	*	*			trans	-86	109	174.9	-68.2	-84.2	-66.4	0	0	108.1	N67 T71	N67-Q69 PolarHBondContact O-N 2.92Å; Q69-T71 PolarHBondContact O-N 2.82Å
70	P	28.2	Very low	27.3	Very low	105 Å²	105	145.9 Å²	145.9	68%	0.682	77%	0.765	S	S	*	*			trans	-68.6	126.3	171.3	27.4	-30.8	0	0	0	108.8	Y68 S72	Y68-P70 VanDerWaalsContact O-CD 3.27Å; Y68-P70 WeakPolarHBondContact O-CD 3.33Å; P70-S72 PolarHBondContact O-N 3.12Å; P70-S72 VanDerWaalsContact O-N 3.1Å
71	T	26.2	Very low	26.9	Very low	137 Å²	137	142.4 Å²	142.4	84%	0.84	76%	0.762	S	S	*	*			trans	-59.7	113.4	172.7	44.6	0	0	0	0	109.4	Q69 Y73	Q69-T71 PolarHBondContact O-N 2.82Å; T71-Y73 PolarHBondContact O-N 3.3Å
72	S	26.1	Very low	26.9	Very low	100 Å²	100	143 Å²	143	70%	0.699	77%	0.766	S	S	*	*			trans	-50.5	120.3	170.3	-177.4	0	0	0	0	109.9	P70	P70-S72 PolarHBondContact O-N 3.12Å; P70-S72 VanDerWaalsContact O-N 3.1Å
73	Y	24.4	Very low	27.1	Very low	220 Å²	220	145.5 Å²	145.5	86%	0.863	77%	0.769	S	S	*	*			trans	-105.6	109.2	164.4	-144.5	-91	0	0	0	107	T71 S75	T71-Y73 PolarHBondContact O-N 3.3Å; Y73-S75 PolarHBondContact O-N 3.1Å
74	D	24.5	Very low	27.3	Very low	134 Å²	134	145.5 Å²	145.5	72%	0.717	77%	0.769	S	S	*	*			trans	-64.7	111.6	173.3	-65.8	-41.3	0	0	0	108.8
75	S	26	Very low	27.4	Very low	98 Å²	98	149 Å²	149	69%	0.685	77%	0.772	S	S	*	*			trans	-139.9	103.5	161.4	-171.7	0	0	0	0	109.1	Y73 T77	Y73-S75 PolarHBondContact O-N 3.1Å; S75-T77 PolarHBondContact O-N 3.38Å
76	Y	24.8	Very low	27.4	Very low	215 Å²	215	151.3 Å²	151.3	84%	0.843	78%	0.777	S	S	*	*			trans	-51.5	115.5	168	-67.4	-96.2	0	0	0	110.7
77	T	29	Very low	27.4	Very low	119 Å²	119	152.1 Å²	152.1	73%	0.73	77%	0.772	S	S	*	*			trans	-149.1	99.7	153.2	5.2	0	0	0	0	108.7	S75 Y79	S75-T77 PolarHBondContact O-N 3.38Å; T77-Y79 PolarHBondContact O-N 3.05Å
78	N	24.8	Very low	27.5	Very low	164 Å²	164	151.6 Å²	151.6	88%	0.877	77%	0.77	S	S	*	*			trans	-52.7	102.7	164.4	-72.1	-41.5	0	0	0	108.7
79	Y	26.1	Very low	27.7	Very low	216 Å²	216	148.7 Å²	148.7	85%	0.847	77%	0.768	S	S	*	*			trans	-125.6	118.5	166.6	-129.5	-95.3	0	0	0	108.9	T77 G81	T77-Y79 PolarHBondContact O-N 3.05Å; Y79-G81 PolarHBondContact O-N 3.24Å; Y79-G81 VanDerWaalsContact O-N 3.16Å
80	N	27.1	Very low	28	Very low	146 Å²	146	146.8 Å²	146.8	78%	0.781	76%	0.764	S	S	*	*			trans	-57.5	114.3	-175.9	-69.9	-36.9	0	0	0	109.6	D82	N80-D82 PolarHBondContact O-N 3.16Å
81	G	26.4	Very low	28.1	Very low	67 Å²	67	148.4 Å²	148.4	69%	0.691	77%	0.766	S	S	*	*			trans	-64.9	106.9	174	0	0	0	0	0	110.1	Y79 K83	Y79-G81 PolarHBondContact O-N 3.24Å; Y79-G81 VanDerWaalsContact O-N 3.16Å; G81-K83 PolarHBondContact O-N 2.92Å; G81-K83 VanDerWaalsContact O-N 3.08Å
82	D	29.5	Very low	28.3	Very low	132 Å²	132	147.9 Å²	147.9	71%	0.706	76%	0.758	S	S	*	*			trans	-61.8	109.1	164.6	-72.5	-37.4	0	0	0	108.1	N80 Y84	N80-D82 PolarHBondContact O-N 3.16Å; D82-Y84 HydrophobicContact CB-CE2 4.28Å; D82-Y84 WeakPolarHBondContact O-CD2 3.24Å; D82-Y84 PolarHBondContact O-N 3.08Å
83	K	30.6	Very low	28.5	Very low	203 Å²	203	150 Å²	150	88%	0.883	76%	0.762	S	S	*	*			trans	-68.8	89.1	179.7	-66.5	-179.6	-177.6	177.4	0	109.3	G81 N85	G81-K83 PolarHBondContact O-N 2.92Å; G81-K83 VanDerWaalsContact O-N 3.08Å; K83-N85 PolarHBondContact O-N 2.72Å
84	Y	32	Very low	28.7	Very low	211 Å²	211	146 Å²	146	83%	0.827	76%	0.756	S	S	*	*			trans	-67.7	101.6	165.8	-74.7	-81.6	0	0	0	109.3	D82 N86	D82-Y84 HydrophobicContact CB-CE2 4.28Å; D82-Y84 WeakPolarHBondContact O-CD2 3.24Å; D82-Y84 PolarHBondContact O-N 3.08Å; Y84-N86 PolarHBondContact O-N 3.03Å
85	N	28.4	Very low	28.9	Very low	141 Å²	141	147.5 Å²	147.5	75%	0.754	76%	0.764	S	S	*	*			trans	-71.3	91.6	172.8	-170.7	12.5	0	0	0	108.7	K83 N87	K83-N85 PolarHBondContact O-N 2.72Å; N85-N87 VanDerWaalsContact C-N 3.26Å; N85-N87 PolarHBondContact O-N 3Å
86	N	33.3	Very low	29	Very low	147 Å²	147	145.1 Å²	145.1	79%	0.786	76%	0.755	S	S	*	*			trans	-71.5	86.3	172	-170.4	5.1	0	0	0	108.5	Y84 N88	Y84-N86 PolarHBondContact O-N 3.03Å; N86-N88 PolarHBondContact O-N 2.91Å
87	N	27.8	Very low	29.2	Very low	127 Å²	127	142.5 Å²	142.5	68%	0.679	76%	0.755	S	S	*	*			trans	-73	82.3	178.6	-153.1	12.6	0	0	0	108.6	N85 N89	N85-N87 VanDerWaalsContact C-N 3.26Å; N85-N87 PolarHBondContact O-N 3Å; N87-N89 VanDerWaalsContact C-N 3.27Å; N87-N89 PolarHBondContact O-N 3.19Å
88	N	32.1	Very low	29.4	Very low	130 Å²	130	147 Å²	147	70%	0.695	76%	0.76	S	S	*	*			trans	-68.7	86.9	172.5	-171.2	13.6	0	0	0	108.1	N86 N90	N86-N88 PolarHBondContact O-N 2.91Å; N88-N90 PolarHBondContact O-N 3.33Å
89	N	28.8	Very low	29.7	Very low	148 Å²	148	146.5 Å²	146.5	79%	0.791	76%	0.757	S	S	*	*			trans	-73.5	78	177.4	-149.7	8.2	0	0	0	108.4	N87 N91	N87-N89 VanDerWaalsContact C-N 3.27Å; N87-N89 PolarHBondContact O-N 3.19Å; N89-N91 PolarHBondContact O-N 3Å; N89-N91 VanDerWaalsContact O-N 3.08Å
90	N	32.9	Very low	30.1	Very low	123 Å²	123	142 Å²	142	66%	0.658	75%	0.748	S	S	*	*			trans	-70.6	99.3	175.2	-168.1	17.4	0	0	0	107.6	N88 N92	N88-N90 PolarHBondContact O-N 3.33Å; N90-N92 VanDerWaalsContact C-N 3.28Å; N90-N92 PolarHBondContact O-N 3.25Å
91	N	30	Very low	30.5	Very low	138 Å²	138	142 Å²	142	74%	0.738	75%	0.748	S	S	*	*			trans	-67.8	91.5	174.5	-166.6	5	0	0	0	108.3	N89 N93	N89-N91 PolarHBondContact O-N 3Å; N89-N91 VanDerWaalsContact O-N 3.08Å; N91-N93 PolarHBondContact O-N 3.18Å
92	N	29.9	Very low	31.1	Very low	126 Å²	126	143 Å²	143	67%	0.674	74%	0.738	S	S	*	*			trans	-72.1	75.5	-178.1	-163.6	20.8	0	0	0	109.4	N90 N94	N90-N92 VanDerWaalsContact C-N 3.28Å; N90-N92 PolarHBondContact O-N 3.25Å; N92-N94 PolarHBondContact O-N 2.73Å
93	N	29.9	Very low	31.3	Very low	144 Å²	144	146 Å²	146	77%	0.77	74%	0.741	S	S	*	*			trans	-85.7	100.8	171.3	-132.7	1.3	0	0	0	108.4	N91 N95	N91-N93 PolarHBondContact O-N 3.18Å; N93-N95 PolarHBondContact O-N 2.81Å
94	N	29.3	Very low	31.5	Very low	138 Å²	138	142.6 Å²	142.6	74%	0.738	74%	0.737	S	S	*	*			trans	-41.6	118.5	174.8	-67.5	-44.3	0	0	0	112.5	N92	N92-N94 PolarHBondContact O-N 2.73Å
95	N	29.2	Very low	31.7	Very low	165 Å²	165	136.7 Å²	136.7	88%	0.882	73%	0.726	S	S	*	*			trans	-153.2	104.8	153.8	-138.7	-0.9	0	0	0	111.5	N93	N93-N95 PolarHBondContact O-N 2.81Å
96	G	27.4	Very low	32.1	Very low	48 Å²	48	134.9 Å²	134.9	50%	0.495	72%	0.72	S	S	.	*			trans	29.6	111.3	154.8	0	0	0	0	0	121.2	Y98	G96-Y98 PolarHBondContact O-N 3.07Å
97	D	28.9	Very low	32.2	Very low	160 Å²	160	134.6 Å²	134.6	86%	0.856	72%	0.719	S	S	*	*				48.1	39.1	115.5	-57	-22.7	0	0	0	120.7
98	Y	32.3	Very low	32.7	Very low	213 Å²	213	132.4 Å²	132.4	84%	0.835	71%	0.707	S	S	*	*			trans	-106.3	102.2	157	-74.6	-82.8	0	0	0	110.3	G96 N100	G96-Y98 PolarHBondContact O-N 3.07Å; Y98-N100 PolarHBondContact O-N 2.91Å
99	N	32.3	Very low	33	Very low	153 Å²	153	134.4 Å²	134.4	82%	0.818	72%	0.718	S	S	*	*			trans	-58.2	67.4	168.3	-75.7	-29	0	0	0	111.5
100	N	33.6	Very low	33.4	Very low	121 Å²	121	134.7 Å²	134.7	65%	0.647	71%	0.709	S	S	*	*			trans	-99.2	86.8	172.8	-105	-19.2	0	0	0	108.8	Y98 D102	Y98-N100 PolarHBondContact O-N 2.91Å; N100-D102 PolarHBondContact O-N 2.89Å
101	N	36.2	Very low	33.6	Very low	146 Å²	146	136.8 Å²	136.8	78%	0.781	72%	0.715	S	S	*	*			trans	-69.6	26.5	179.5	-74.5	-28.8	0	0	0	114.7	Y103	N101-Y103 PolarHBondContact O-N 3.25Å
102	D	38.2	Very low	34.1	Very low	89 Å²	89	133.9 Å²	133.9	48%	0.476	71%	0.71	S	S	.	*			trans	-92.7	10.1	-174.3	-73.9	-2.2	0	0	0	113.6	N100 T104 R174	N100-D102 PolarHBondContact O-N 2.89Å; D102-T104 PolarHBondContact O-N 2.86Å; D102-R174 IonicContact OD2-CZ 3.7Å; D102-R174 IonicContact OD2-NE 2.95Å; D102-R174 PolarHBondContact OD2-NE 3Å; D102-R174 IonicContact OD2-NH2 3.63Å
103	Y	33.4	Very low	34.5	Very low	196 Å²	196	132.5 Å²	132.5	77%	0.769	70%	0.702	S	S	*	*			trans	-93.4	85.6	172.1	-84.5	-83.7	0	0	0	111.4	N101 S105	N101-Y103 PolarHBondContact O-N 3.25Å; Y103-S105 VanDerWaalsContact C-N 3.35Å; Y103-S105 PolarHBondContact O-N 2.86Å
104	T	35.6	Very low	34.9	Very low	131 Å²	131	133.5 Å²	133.5	80%	0.804	71%	0.708	S	S	*	*			trans	-81.3	89.5	155.6	52	0	0	0	0	108.2	D102 T106	D102-T104 PolarHBondContact O-N 2.86Å; T104-T106 PolarHBondContact O-N 2.95Å
105	S	35.8	Very low	35.4	Very low	86 Å²	86	135.4 Å²	135.4	60%	0.601	71%	0.706	S	S	*	*			trans	-62.8	106	161.8	-179.2	0	0	0	0	107.1	Y103 N107	Y103-S105 VanDerWaalsContact C-N 3.35Å; Y103-S105 PolarHBondContact O-N 2.86Å; S105-N107 PolarHBondContact O-N 2.74Å; S105-N107 PolarHBondContact OG-OD1 2.75Å
106	T	36.8	Very low	36.1	Very low	103 Å²	103	135.8 Å²	135.8	63%	0.632	70%	0.699	S	S	*	*			trans	-69.7	93	163.8	-15.6	0	0	0	0	106	T104 N108	T104-T106 PolarHBondContact O-N 2.95Å; T106-N108 WeakPolarHBondContact CG2-ND2 3.19Å; T106-N108 PolarHBondContact O-N 3.03Å
107	N	35.9	Very low	36.8	Very low	142 Å²	142	140.4 Å²	140.4	76%	0.759	71%	0.713	S	S	*	*			trans	-68.3	65	169.1	-80.3	-4.8	0	0	0	108.9	S105 N109	S105-N107 PolarHBondContact O-N 2.74Å; S105-N107 PolarHBondContact OG-OD1 2.75Å; N107-N109 PolarHBondContact O-N 3.21Å
108	N	39	Very low	37.3	Very low	80 Å²	80	142.8 Å²	142.8	43%	0.428	71%	0.712	S	S	.	*			trans	-82.3	98.9	167.8	-66.4	-29.9	0	0	0	106.5	T106 Y110	T106-N108 WeakPolarHBondContact CG2-ND2 3.19Å; T106-N108 PolarHBondContact O-N 3.03Å; N108-Y110 HydrophobicContact CB-CD2 3.39Å; N108-Y110 HydrophobicContact CB-CE2 3.25Å; N108-Y110 HydrophobicContact CB-CG 4.4Å; N108-Y110 PolarHBondContact O-N 2.88Å
109	N	37.6	Very low	37.4	Very low	172 Å²	172	134.9 Å²	134.9	92%	0.92	70%	0.695	S	S	*	*			trans	-67.1	65.5	169.8	-127.1	-1.4	0	0	0	108.5	N107 Q111	N107-N109 PolarHBondContact O-N 3.21Å; N109-Q111 PolarHBondContact O-N 3.12Å; N109-Q111 VanDerWaalsContact O-N 3.14Å
110	Y	37.1	Very low	37.8	Very low	154 Å²	154	130.4 Å²	130.4	60%	0.604	68%	0.676	S	S	*	*			trans	-75.2	104.3	171.6	-75.6	-66.5	0	0	0	106.7	N108 A112 L168	N108-Y110 HydrophobicContact CB-CD2 3.39Å; N108-Y110 HydrophobicContact CB-CE2 3.25Å; N108-Y110 HydrophobicContact CB-CG 4.4Å; N108-Y110 PolarHBondContact O-N 2.88Å; Y110-A112 PolarHBondContact O-N 3.41Å; Y110-L168 HydrophobicContact CD2-CD1 4.38Å
111	Q	38.2	Very low	38.1	Very low	168 Å²	168	129.3 Å²	129.3	79%	0.785	68%	0.677	S	S	*	*			trans	-51	128	161.8	-75.8	-169.6	-19.5	0	0	107.4	N109 N113	N109-Q111 PolarHBondContact O-N 3.12Å; N109-Q111 VanDerWaalsContact O-N 3.14Å; Q111-N113 VanDerWaalsContact C-N 3.26Å; Q111-N113 PolarHBondContact O-N 2.97Å
112	A	39.8	Very low	38.2	Very low	76 Å²	76	129.5 Å²	129.5	63%	0.628	68%	0.678	S	S	*	*			trans	-60.3	97.9	169.7	0	0	0	0	0	106.5	Y110 N114	Y110-A112 PolarHBondContact O-N 3.41Å; A112-N114 PolarHBondContact O-N 3.06Å
113	N	37.6	Very low	38.2	Very low	97 Å²	97	130.8 Å²	130.8	52%	0.519	68%	0.684	S	S	.	*			trans	-55.4	127.7	175.5	-70.7	-25	0	0	0	106.9	Q111 Y115	Q111-N113 VanDerWaalsContact C-N 3.26Å; Q111-N113 PolarHBondContact O-N 2.97Å; N113-Y115 HydrophobicContact CB-CD2 4.03Å; N113-Y115 HydrophobicContact CB-CE1 4.11Å; N113-Y115 HydrophobicContact CB-CE2 3.51Å; N113-Y115 PolarHBondContact ND2-OH 3.08Å; N113-Y115 WeakPolarHBondContact O-CD2 3.27Å; N113-Y115 PolarHBondContact O-N 2.88Å
114	N	39.3	Very low	38.3	Very low	165 Å²	165	125.5 Å²	125.5	88%	0.882	68%	0.675	S	S	*	*			trans	-62	82	173.9	-68	-37.8	0	0	0	108.6	A112 K116	A112-N114 PolarHBondContact O-N 3.06Å; N114-K116 PolarHBondContact O-N 3.33Å
115	Y	40.1	Very low	38.3	Very low	178 Å²	178	124.8 Å²	124.8	70%	0.698	67%	0.673	S	S	*	*			trans	-75.4	126.3	179.6	-71.8	-70.1	0	0	0	108.4	N113 D117	N113-Y115 HydrophobicContact CB-CD2 4.03Å; N113-Y115 HydrophobicContact CB-CE1 4.11Å; N113-Y115 HydrophobicContact CB-CE2 3.51Å; N113-Y115 PolarHBondContact ND2-OH 3.08Å; N113-Y115 WeakPolarHBondContact O-CD2 3.27Å; N113-Y115 PolarHBondContact O-N 2.88Å; Y115-D117 PolarHBondContact O-N 3.21Å
116	K	43.4	Very low	38.2	Very low	173 Å²	173	124.8 Å²	124.8	75%	0.752	67%	0.67	S	S	*	*			trans	-60.6	108.4	169.4	-70.6	-177.7	179.2	178.5	0	106.8	N114 Y118	N114-K116 PolarHBondContact O-N 3.33Å; K116-Y118 VanDerWaalsContact C-N 3.29Å; K116-Y118 PolarHBondContact O-N 3.18Å
117	D	41	Very low	38.4	Very low	146 Å²	146	125.1 Å²	125.1	78%	0.781	68%	0.676	S	S	*	*			trans	-54	104.4	157.5	-169.8	3.6	0	0	0	105.3	Y115 G119	Y115-D117 PolarHBondContact O-N 3.21Å; D117-G119 PolarHBondContact O-N 2.72Å
118	Y	40.1	Very low	38.4	Very low	210 Å²	210	125.2 Å²	125.2	82%	0.824	67%	0.672	S	S	*	*			trans	-70.3	79.6	164.8	-72.9	-85	0	0	0	103.9	K116 S120	K116-Y118 VanDerWaalsContact C-N 3.29Å; K116-Y118 PolarHBondContact O-N 3.18Å; Y118-S120 PolarHBondContact O-N 2.79Å
119	G	35.5	Very low	38.3	Very low	47 Å²	47	130.2 Å²	130.2	49%	0.485	69%	0.686	S	S	.	*			trans	-44.8	118.7	176.7	0	0	0	0	0	105.6	D117 S121	D117-G119 PolarHBondContact O-N 2.72Å; G119-S121 VanDerWaalsContact C-N 3.31Å; G119-S121 PolarHBondContact O-N 3.12Å
120	S	39.1	Very low	38	Very low	59 Å²	59	124.6 Å²	124.6	41%	0.413	67%	0.669	S	S	.	*			trans	-52.3	110.4	173.9	57	0	0	0	0	103.8	Y118 D122	Y118-S120 PolarHBondContact O-N 2.79Å; S120-D122 VanDerWaalsContact C-N 3.33Å; S120-D122 PolarHBondContact O-N 3.13Å
121	S	40	Very low	37.8	Very low	98 Å²	98	123.6 Å²	123.6	69%	0.685	67%	0.673	S	S	*	*			trans	-55	115.5	168.7	-56.2	0	0	0	0	103	G119 I123	G119-S121 VanDerWaalsContact C-N 3.31Å; G119-S121 PolarHBondContact O-N 3.12Å; S121-I123 PolarHBondContact O-N 3.03Å
122	D	37.9	Very low	37.7	Very low	150 Å²	150	119.5 Å²	119.5	80%	0.802	66%	0.662	S	S	*	*			trans	-59.4	86.1	171.2	-72.8	-36.5	0	0	0	104.5	S120 S124	S120-D122 VanDerWaalsContact C-N 3.33Å; S120-D122 PolarHBondContact O-N 3.13Å; D122-S124 PolarHBondContact O-N 3.15Å
123	I	38.7	Very low	37.7	Very low	116 Å²	116	120.5 Å²	120.5	60%	0.595	67%	0.665	S	S	*	*			trans	-72.2	82	166.2	-62.8	169.9	0	0	0	101.4	S121	S121-I123 PolarHBondContact O-N 3.03Å
124	S	34.8	Very low	37.8	Very low	84 Å²	84	120.2 Å²	120.2	59%	0.587	66%	0.663	S	S	*	*			trans	-41.8	126.9	161.4	-178	0	0	0	0	105	D122 T126	D122-S124 PolarHBondContact O-N 3.15Å; S124-T126 PolarHBondContact O-N 2.94Å
125	P	36.1	Very low	37.7	Very low	116 Å²	116	114 Å²	114	75%	0.753	64%	0.638	S	S	*	*			trans	-59.6	92.8	179.7	23.4	-31.6	0	0	0	106.8	S127	P125-S127 PolarHBondContact O-N 2.91Å
126	T	35	Very low	37.7	Very low	87 Å²	87	110.9 Å²	110.9	53%	0.534	64%	0.637	S	S	.	*			trans	-60.8	118.9	173.5	54.9	0	0	0	0	103.5	S124 E128	S124-T126 PolarHBondContact O-N 2.94Å; T126-E128 PolarHBondContact O-N 2.64Å
127	S	40.2	Very low	37.6	Very low	110 Å²	110	104.4 Å²	104.4	77%	0.769	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-63.4	11.4	-177.9	52.8	0	0	0	0	113.1	P125 Y129 G130	P125-S127 PolarHBondContact O-N 2.91Å; S127-Y129 PolarHBondContact O-N 3.3Å; S127-G130 PolarHBondContact O-N 2.77Å
128	E	36.6	Very low	37.7	Very low	143 Å²	143	102.8 Å²	102.8	67%	0.668	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-62	-17.7	-172.8	-73.3	-175.9	170.1	0	0	113.8	T126	T126-E128 PolarHBondContact O-N 2.64Å
129	Y	37.3	Very low	37.7	Very low	186 Å²	186	96.2 Å²	96.2	73%	0.729	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-133.2	75.9	171	-61.9	-85.5	0	0	0	108.7	S127 I131	S127-Y129 PolarHBondContact O-N 3.3Å; Y129-I131 PolarHBondContact O-N 2.65Å
130	G	30.9	Very low	38	Very low	54 Å²	54	98.3 Å²	98.3	56%	0.557	60%	0.6	S	S	*	*			trans	-42.9	138.7	166.9	0	0	0	0	0	110	S127 S132	S127-G130 PolarHBondContact O-N 2.77Å; G130-S132 VanDerWaalsContact C-N 3.34Å; G130-S132 PolarHBondContact O-N 3.35Å
131	I	31.6	Very low	37.9	Very low	132 Å²	132	97.1 Å²	97.1	68%	0.677	60%	0.597	S	S	*	*			trans	-50.7	106.1	171.1	-54.5	167.2	0	0	0	105.1	Y129 S133	Y129-I131 PolarHBondContact O-N 2.65Å; I131-S133 PolarHBondContact O-N 2.78Å
132	S	37.8	Very low	38.1	Very low	82 Å²	82	96.7 Å²	96.7	57%	0.573	59%	0.594	S	S	*	*			trans	-55	120.2	172.2	-66.1	0	0	0	0	104.6	G130 I134	G130-S132 VanDerWaalsContact C-N 3.34Å; G130-S132 PolarHBondContact O-N 3.35Å; S132-I134 PolarHBondContact O-N 2.9Å
133	S	38.8	Very low	38.5	Very low	98 Å²	98	96 Å²	96	69%	0.685	58%	0.584	S	S	*	*			trans	-35.4	124.8	-170.9	43.3	0	0	0	0	110.3	I131 G135	I131-S133 PolarHBondContact O-N 2.78Å; S133-G135 PolarHBondContact O-N 2.9Å
134	I	38.7	Very low	38.9	Very low	91 Å²	91	100.2 Å²	100.2	47%	0.467	59%	0.594	S	S	.	*			trans	-49.2	118.1	163.1	-67.2	170.5	0	0	0	104.2	S132 T136 M155	S132-I134 PolarHBondContact O-N 2.9Å; I134-T136 PolarHBondContact O-N 3.48Å; I134-M155 HydrophobicContact CD1-CE 3.65Å; I134-M155 HydrophobicContact CG1-CE 3.93Å
135	G	39.1	Very low	39.4	Very low	35 Å²	35	97.3 Å²	97.3	36%	0.361	57%	0.574	S	S	.	*			trans	-45.8	112.1	-176.3	0	0	0	0	0	109	S133 G137	S133-G135 PolarHBondContact O-N 2.9Å; G135-G137 PolarHBondContact O-N 2.84Å; G135-G137 VanDerWaalsContact O-N 3.1Å
136	T	39.8	Very low	40	Very low	111 Å²	111	98 Å²	98	68%	0.681	57%	0.566	S	S	*	*			trans	-75.1	103.8	179.9	51.8	0	0	0	0	106.4	I134 P229	I134-T136 PolarHBondContact O-N 3.48Å; T136-P229 HydrophobicContact CG2-CG 4.08Å
137	G	40.6	Very low	40.6	Very low	37 Å²	37	94.6 Å²	94.6	38%	0.381	55%	0.546	S	S	.	.			trans	-98.2	136.5	172.2	0	0	0	0	0	110.9	G135 L149	G135-G137 PolarHBondContact O-N 2.84Å; G135-G137 VanDerWaalsContact O-N 3.1Å; G137-L149 VanDerWaalsContact CA-CD1 3.46Å
138	V	42.5	Very low	41.3	Very low	112 Å²	112	98.3 Å²	98.3	68%	0.679	54%	0.544	S	S	*	.			trans	-87.7	111.7	169.8	-178.7	0	0	0	0	107.5	S140	V138-S140 PolarHBondContact O-N 3.35Å
139	I	40.2	Very low	42.2	Very low	73 Å²	73	93 Å²	93	37%	0.374	52%	0.52	S	S	.	.			trans	-78.1	82.6	166.3	-60.2	179.5	0	0	0	106.3	L149	I139-L149 HydrophobicContact CD1-CB 4.36Å; I139-L149 HydrophobicContact CD1-CD2 4.36Å; I139-L149 HydrophobicContact CG1-CB 4.31Å
140	S	42.9	Very low	43.1	Very low	91 Å²	91	89.6 Å²	89.6	64%	0.636	51%	0.514	S	S	*	.			trans	-90.2	136.4	170.5	69.2	0	0	0	0	109.4	V138 S147	V138-S140 PolarHBondContact O-N 3.35Å; S140-S147 PolarHBondContact O-OG 3.01Å
141	G	37.4	Very low	44.2	Very low	34 Å²	34	88.7 Å²	88.7	35%	0.351	50%	0.498	S	S	.	.			trans	-157.5	142.5	-172.1	0	0	0	0	0	114.2	S145	G141-S145 VanDerWaalsContact CA-CB 3.47Å; G141-S145 WeakPolarHBondContact CA-OG 3.38Å
142	S	43.7	Very low	45.4	Very low	88 Å²	88	87.3 Å²	87.3	62%	0.615	49%	0.488	S	S	*	.			trans	-91.1	173.7	164	61.8	0	0	0	0	110.5	Y144 S145	S142-Y144 PolarHBondContact O-N 2.79Å; S142-S145 VanDerWaalsContact N-CB 3.31Å; S142-S145 PolarHBondContact N-OG 3.14Å; S142-S145 WeakPolarHBondContact O-CB 3.47Å; S142-S145 PolarHBondContact O-N 2.95Å; S142-S145 PolarHBondContact O-OG 3.18Å
143	K	47	Very low	46.3	Very low	137 Å²	137	83.8 Å²	83.8	60%	0.596	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.4	-26.4	-176.2	-113	-177.6	-179.8	-178.9	0	116.5
144	Y	45.6	Very low	47.5	Very low	204 Å²	204	85.7 Å²	85.7	80%	0.8	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.6	27.4	-180	-57.1	-69.1	0	0	0	112.4	S142	S142-Y144 PolarHBondContact O-N 2.79Å
145	S	44.9	Very low	48.4	Very low	23 Å²	23	84.2 Å²	84.2	16%	0.161	45%	0.452	C	S	.	.			trans	-79.6	134.5	179.1	59.1	0	0	0	0	111.2	G141 S142	G141-S145 VanDerWaalsContact CA-CB 3.47Å; G141-S145 WeakPolarHBondContact CA-OG 3.38Å; S142-S145 VanDerWaalsContact N-CB 3.31Å; S142-S145 PolarHBondContact N-OG 3.14Å; S142-S145 WeakPolarHBondContact O-CB 3.47Å; S142-S145 PolarHBondContact O-N 2.95Å; S142-S145 PolarHBondContact O-OG 3.18Å
146	H	49.1	Very low	49.6	Very low	129 Å²	129	85.7 Å²	85.7	60%	0.597	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	100.9	164.4	-59.5	89	0	0	0	106.1	Y218	H146-Y218 AromaticContact CD2-CD1 3.89Å; H146-Y218 AromaticContact CD2-CE1 3.33Å; H146-Y218 WeakPolarHBondContact CD2-CE1 3.47Å; H146-Y218 AromaticContact NE2-CE1 3.43Å; H146-Y218 WeakPolarHBondContact NE2-CE1 3.34Å
147	S	49	Very low	50.6	Low	16 Å²	16	81.7 Å²	81.7	11%	0.112	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	129.6	174.2	-57.5	0	0	0	0	108.2	S140 G217	S140-S147 PolarHBondContact O-OG 3.01Å; S147-G217 PolarHBondContact O-N 2.92Å
148	R	53.1	Low	51.9	Low	189 Å²	189	84.6 Å²	84.6	71%	0.713	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.1	172.9	-64.5	-178	177.4	176.9	-0.9	107.5
149	L	56.9	Low	53	Low	32 Å²	32	80.8 Å²	80.8	17%	0.168	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	109.3	169	177.5	65.8	0	0	0	107.8	G137 I139 V151 L215	G137-L149 VanDerWaalsContact CA-CD1 3.46Å; I139-L149 HydrophobicContact CD1-CB 4.36Å; I139-L149 HydrophobicContact CD1-CD2 4.36Å; I139-L149 HydrophobicContact CG1-CB 4.31Å; L149-V151 HydrophobicContact CD2-CG2 3.79Å; L149-V151 HydrophobicContact CG-CG2 3.75Å; L149-V151 PolarHBondContact O-N 3.07Å; L149-L215 HydrophobicContact CB-CB 4.33Å; L149-L215 PolarHBondContact N-O 2.97Å; L149-L215 PolarHBondContact O-N 3Å
150	N	55.4	Low	54.1	Low	114 Å²	114	82.8 Å²	82.8	61%	0.61	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	111	168.5	-65.3	-7.9	0	0	0	107.1	N214	N150-N214 PolarHBondContact OD1-OD1 2.78Å; N150-N214 VanDerWaalsContact OD1-OD1 3.1Å
151	V	54.7	Low	54.9	Low	35 Å²	35	82.8 Å²	82.8	21%	0.212	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	116.7	175.4	-175.5	0	0	0	0	107.5	L149 V212 G213	L149-V151 HydrophobicContact CD2-CG2 3.79Å; L149-V151 HydrophobicContact CG-CG2 3.75Å; L149-V151 PolarHBondContact O-N 3.07Å; V151-V212 WeakPolarHBondContact O-CA 3.47Å; V151-G213 PolarHBondContact N-O 3.02Å; V151-G213 PolarHBondContact O-N 3.28Å
152	H	56.6	Low	56.1	Low	103 Å²	103	84.4 Å²	84.4	48%	0.477	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	119.5	167.8	-168.9	-107.4	0	0	0	107.7	E210 V211	H152-E210 IonicContact CD2-OE1 3.63Å; H152-E210 IonicContact CE1-OE1 3.5Å; H152-E210 IonicContact NE2-OE1 2.64Å; H152-E210 PolarHBondContact NE2-OE1 2.85Å; H152-V211 WeakPolarHBondContact CA-O 3.48Å
153	G	55.8	Low	56.7	Low	8 Å²	8	85.6 Å²	85.6	8%	0.082	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	131.8	-177.2	0	0	0	0	0	111.5	V211	G153-V211 PolarHBondContact N-O 3.29Å; G153-V211 PolarHBondContact O-N 3.1Å
154	K	64.1	Low	57.2	Low	137 Å²	137	80.1 Å²	80.1	60%	0.596	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	120	168.2	-69.5	179.4	-178.7	178.1	0	108.2	E210	K154-E210 HydrophobicContact CG-CG 4.49Å
155	M	58.5	Low	57.9	Low	60 Å²	60	73 Å²	73	30%	0.296	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	151.7	-179.3	-72	-174.6	146.5	0	0	110.5	I134 K208 F209 V211	I134-M155 HydrophobicContact CD1-CE 3.65Å; I134-M155 HydrophobicContact CG1-CE 3.93Å; M155-K208 WeakPolarHBondContact O-CA 3.33Å; M155-F209 HydrophobicContact CB-CD1 4.37Å; M155-F209 HydrophobicContact CB-CD2 3.82Å; M155-F209 HydrophobicContact CB-CE1 3.96Å; M155-F209 HydrophobicContact CB-CE2 3.36Å; M155-F209 HydrophobicContact CB-CG 4.31Å; M155-F209 HydrophobicContact CB-CZ 3.43Å; M155-F209 VanDerWaalsContact CB-CZ 3.43Å; M155-F209 HydrophobicContact CG-CE2 4.02Å; M155-F209 HydrophobicContact CG-CZ 4.31Å; M155-F209 PolarHBondContact N-O 2.93Å; M155-F209 PolarHBondContact O-N 3.48Å; M155-F209 VanDerWaalsContact O-O 3.08Å; M155-F209 HydrophobicContact SD-CE2 3.57Å; M155-F209 VanDerWaalsContact SD-CE2 3.57Å; M155-F209 HydrophobicContact SD-CZ 3.96Å; M155-V211 HydrophobicContact CG-CG2 4.39Å; M155-V211 HydrophobicContact SD-CG2 3.69Å
156	T	65	Low	58.4	Low	67 Å²	67	76.9 Å²	76.9	41%	0.411	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	114.6	173.7	-65.5	0	0	0	0	107.4	K206 A207	T156-K206 HydrophobicContact CG2-CD 3.99Å; T156-K206 HydrophobicContact CG2-CG 3.57Å; T156-A207 CarbonylContact C-O 3.4Å; T156-A207 WeakPolarHBondContact CA-O 3.43Å
157	G	59.2	Low	58.7	Low	26 Å²	26	75.9 Å²	75.9	27%	0.268	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	135.6	169.6	0	0	0	0	0	109.8	K206 A207	G157-K206 WeakPolarHBondContact O-CA 3.44Å; G157-A207 PolarHBondContact N-O 2.89Å; G157-A207 PolarHBondContact O-N 2.97Å
158	V	69.5	Low	59.1	Low	98 Å²	98	77.9 Å²	77.9	59%	0.594	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	138.7	169.2	-67.7	0	0	0	0	108.5	M205 K206	V158-M205 WeakPolarHBondContact CA-O 3.46Å; V158-K206 HydrophobicContact CG1-CG 4.42Å
159	G	65.6	Low	59	Low	32 Å²	32	70.3 Å²	70.3	33%	0.33	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	177.6	-179.1	0	0	0	0	0	111.3	M205	G159-M205 PolarHBondContact N-O 3.04Å; G159-M205 PolarHBondContact O-N 3.08Å
160	H	62.7	Low	59	Low	115 Å²	115	71.7 Å²	71.7	53%	0.532	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	138.1	177.3	-67.8	90.1	0	0	0	109.4	N202 Q203 H204	H160-N202 VanDerWaalsContact CB-OD1 3.26Å; H160-N202 WeakPolarHBondContact CB-OD1 3.45Å; H160-N202 PolarHBondContact CD2-OD1 3.1Å; H160-N202 VanDerWaalsContact CG-OD1 3.32Å; H160-Q203 WeakPolarHBondContact CA-O 3.37Å; H160-H204 AromaticContact NE2-CD2 3.82Å
161	Q	59.5	Low	59.2	Low	91 Å²	91	69.1 Å²	69.1	43%	0.425	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128.3	170.5	-179.1	173.5	-4.4	0	0	108.2	Q203 M205	Q161-Q203 PolarHBondContact N-O 2.82Å; Q161-Q203 PolarHBondContact O-N 3.06Å; Q161-M205 HydrophobicContact CB-CG 3.89Å
162	D	61.7	Low	59.5	Low	69 Å²	69	73.7 Å²	73.7	37%	0.369	38%	0.383	S	S	.	.			trans	-91.1	130.8	170.7	-60.6	-42.1	0	0	0	108.7	K199	D162-K199 HydrophobicContact CB-CB 4.3Å; D162-K199 HydrophobicContact CB-CD 3.91Å; D162-K199 WeakPolarHBondContact OD2-CD 3.43Å; D162-K199 WeakPolarHBondContact OD2-CE 3.29Å; D162-K199 IonicContact OD2-NZ 2.78Å; D162-K199 PolarHBondContact OD2-NZ 2.63Å
163	Y	57.7	Low	59.8	Low	113 Å²	113	72.9 Å²	72.9	44%	0.443	38%	0.378	S	S	.	.			trans	-84.3	-23.4	178.3	-77	-91.3	0	0	0	113.1	Y200 G201 Q203	Y163-Y200 PolarHBondContact N-O 2.99Å; Y163-Y200 VanDerWaalsContact N-O 3.08Å; Y163-G201 WeakPolarHBondContact CD2-O 3.22Å; Y163-Q203 HydrophobicContact CE2-CB 4.1Å; Y163-Q203 HydrophobicContact CE2-CG 3.79Å; Y163-Q203 VanDerWaalsContact CZ-OE1 3.29Å; Y163-Q203 PolarHBondContact OH-OE1 3.1Å
164	G	57.7	Low	59.9	Low	21 Å²	21	79.3 Å²	79.3	22%	0.216	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.1	-170.5	175.1	0	0	0	0	0	115	K199 Y200	G164-K199 WeakPolarHBondContact O-CA 3.31Å; G164-Y200 VanDerWaalsContact O-CD1 3.24Å; G164-Y200 WeakPolarHBondContact O-CD1 3.5Å; G164-Y200 WeakPolarHBondContact O-CE1 3.26Å; G164-Y200 PolarHBondContact O-N 2.79Å
165	V	58.9	Low	59.5	Low	55 Å²	55	79.1 Å²	79.1	33%	0.333	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	133.7	176.6	-71	0	0	0	0	109.1	F188 V197 K199	V165-F188 HydrophobicContact CB-CD1 4.28Å; V165-F188 HydrophobicContact CB-CE1 3.97Å; V165-F188 HydrophobicContact CG2-CD1 4.45Å; V165-F188 HydrophobicContact CG2-CE1 3.66Å; V165-F188 HydrophobicContact CG2-CZ 4.46Å; V165-V197 HydrophobicContact CB-CG1 3.87Å; V165-V197 HydrophobicContact CG1-CB 4.44Å; V165-V197 HydrophobicContact CG1-CG1 3.66Å; V165-K199 HydrophobicContact CG1-CG 3.87Å
166	H	55.6	Low	59.2	Low	105 Å²	105	80 Å²	80	49%	0.486	42%	0.424	S	S	.	.			trans	-87.6	126	173.3	-74.1	-66.1	0	0	0	109.9	F188 Y200	H166-F188 WeakPolarHBondContact O-CD1 3.08Å; H166-Y200 HydrophobicContact CB-CE1 4.48Å; H166-Y200 AromaticContact CD2-CD1 3.17Å; H166-Y200 WeakPolarHBondContact CD2-CD1 3.07Å; H166-Y200 AromaticContact CD2-CE1 3.17Å; H166-Y200 WeakPolarHBondContact CD2-CE1 3.41Å; H166-Y200 AromaticContact CD2-CG 3.99Å; H166-Y200 AromaticContact CE1-CE1 3.62Å; H166-Y200 AromaticContact CE1-CZ 3.73Å; H166-Y200 AromaticContact CG-CD1 3.98Å; H166-Y200 AromaticContact CG-CE1 3.61Å; H166-Y200 AromaticContact ND1-CE1 3.86Å; H166-Y200 AromaticContact NE2-CD1 3.42Å; H166-Y200 WeakPolarHBondContact NE2-CD1 3.19Å; H166-Y200 AromaticContact NE2-CE1 3.19Å; H166-Y200 WeakPolarHBondContact NE2-CE1 3.47Å; H166-Y200 AromaticContact NE2-CG 3.91Å; H166-Y200 AromaticContact NE2-CZ 3.51Å
167	Y	55.4	Low	58.7	Low	108 Å²	108	79.5 Å²	79.5	42%	0.424	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	136.4	170.6	59.7	-83	0	0	0	109.6	L170 R186 Q187	Y167-L170 HydrophobicContact CD2-CB 4.34Å; Y167-L170 HydrophobicContact CE2-CB 3.97Å; Y167-R186 HydrophobicContact CG-CG 4.43Å; Y167-Q187 CarbonylContact C-O 3.55Å; Y167-Q187 VanDerWaalsContact CA-O 3.29Å; Y167-Q187 WeakPolarHBondContact CA-O 3.17Å; Y167-Q187 WeakPolarHBondContact CB-O 3.43Å
168	L	56.8	Low	58.4	Low	57 Å²	57	82.7 Å²	82.7	30%	0.298	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	-47.4	175.3	-176.7	53.2	0	0	0	111	Y110 Q187 L189	Y110-L168 HydrophobicContact CD2-CD1 4.38Å; L168-Q187 PolarHBondContact N-O 2.92Å; L168-L189 HydrophobicContact CB-CD2 4.15Å; L168-L189 HydrophobicContact CB-CG 3.89Å; L168-L189 HydrophobicContact CD1-CD1 4.26Å; L168-L189 HydrophobicContact CD1-CD2 3.89Å; L168-L189 HydrophobicContact CD1-CG 4.15Å; L168-L189 HydrophobicContact CD2-CD2 4.03Å; L168-L189 HydrophobicContact CG-CD2 4.23Å; L168-L189 HydrophobicContact CG-CG 4.44Å
169	S	52.9	Low	57.6	Low	30 Å²	30	86.6 Å²	86.6	21%	0.21	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	149.2	-170.3	66.1	0	0	0	0	110.9	R186 Q187	S169-R186 WeakPolarHBondContact O-CA 3.42Å; S169-Q187 PolarHBondContact O-N 2.99Å; S169-Q187 WeakPolarHBondContact OG-CB 3.17Å; S169-Q187 PolarHBondContact OG-OE1 2.62Å
170	L	55.4	Low	57.2	Low	61 Å²	61	91.7 Å²	91.7	32%	0.319	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	90	170.7	-172.7	73.9	0	0	0	107.5	Y167 K172 K184 R186	Y167-L170 HydrophobicContact CD2-CB 4.34Å; Y167-L170 HydrophobicContact CE2-CB 3.97Å; L170-K172 PolarHBondContact O-N 2.85Å; L170-K184 HydrophobicContact CD1-CB 3.85Å; L170-K184 HydrophobicContact CD1-CD 4.49Å; L170-K184 HydrophobicContact CD1-CG 4.43Å; L170-K184 HydrophobicContact CD2-CD 4.05Å; L170-K184 HydrophobicContact CD2-CG 4.43Å; L170-K184 HydrophobicContact CG-CB 4.22Å; L170-K184 HydrophobicContact CG-CD 4.44Å; L170-K184 HydrophobicContact CG-CG 4.34Å; L170-R186 HydrophobicContact CD1-CG 3.57Å
171	T	60.9	Low	56.4	Low	60 Å²	60	90.8 Å²	90.8	37%	0.368	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	121.4	179.2	-51.5	0	0	0	0	109	K184 K185	T171-K184 CarbonylContact O-C 3.51Å; T171-K184 WeakPolarHBondContact O-CA 3.42Å; T171-K185 PolarHBondContact N-O 2.8Å; T171-K185 PolarHBondContact O-N 2.76Å
172	K	60	Low	56.4	Low	132 Å²	132	92.1 Å²	92.1	57%	0.574	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	132.3	167.5	-68.1	179.3	-175	175.6	0	108.4	L170 G183 K184	L170-K172 PolarHBondContact O-N 2.85Å; K172-G183 CarbonylContact C-O 3.57Å; K172-G183 VanDerWaalsContact CA-O 3.28Å; K172-G183 WeakPolarHBondContact CA-O 3.3Å; K172-K184 HydrophobicContact CG-CG 4.08Å
173	F	62.7	Low	56.1	Low	85 Å²	85	89.6 Å²	89.6	37%	0.373	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	144.9	173.6	55.7	-83.5	0	0	0	108.9	K175 Y182 G183 K185	F173-K175 PolarHBondContact O-N 3.09Å; F173-Y182 CarbonylContact O-C 3.44Å; F173-Y182 WeakPolarHBondContact O-CA 3.39Å; F173-G183 WeakPolarHBondContact CD1-O 3.47Å; F173-G183 PolarHBondContact N-O 2.64Å; F173-G183 PolarHBondContact O-N 2.82Å; F173-K185 HydrophobicContact CD1-CB 4.43Å; F173-K185 HydrophobicContact CE1-CB 3.79Å
174	R	57.8	Low	56.4	Low	143 Å²	143	90.7 Å²	90.7	54%	0.54	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	120.4	169	-69.1	-178.1	-175.3	-124.8	1.4	107.5	D102 G176 Y182	D102-R174 IonicContact OD2-CZ 3.7Å; D102-R174 IonicContact OD2-NE 2.95Å; D102-R174 PolarHBondContact OD2-NE 3Å; D102-R174 IonicContact OD2-NH2 3.63Å; R174-G176 PolarHBondContact O-N 3.11Å; R174-Y182 HydrophobicContact CG-CD1 4.28Å; R174-Y182 HydrophobicContact CG-CE1 3.78Å
175	K	56.5	Low	56.8	Low	133 Å²	133	96.8 Å²	96.8	58%	0.578	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-68.8	118.5	170.9	-167	178.2	179.7	-176.8	0	106	F173 G177 I181	F173-K175 PolarHBondContact O-N 3.09Å; K175-G177 PolarHBondContact O-N 2.74Å; K175-I181 VanDerWaalsContact CB-O 3.24Å; K175-I181 WeakPolarHBondContact CB-O 3.24Å; K175-I181 PolarHBondContact N-O 2.94Å
176	G	51.9	Low	57.1	Low	78 Å²	78	100.3 Å²	100.3	80%	0.804	52%	0.515	S	S	*	.	S	Bend	trans	-53	133.5	176.4	0	0	0	0	0	110.5	R174	R174-G176 PolarHBondContact O-N 3.11Å
177	G	54	Low	57.4	Low	58 Å²	58	100.4 Å²	100.4	60%	0.598	52%	0.516	S	S	*	.	S	Bend	trans	112.8	83.7	176.3	0	0	0	0	0	114.1	K175 Y179	K175-G177 PolarHBondContact O-N 2.74Å; G177-Y179 WeakPolarHBondContact O-CD2 3.42Å; G177-Y179 PolarHBondContact O-N 2.99Å
178	G	53.1	Low	57.9	Low	92 Å²	92	97.4 Å²	97.4	95%	0.948	51%	0.505	S	S	*	.	S	Bend	trans	60.9	-16.2	150.6	0	0	0	0	0	120.3
179	Y	53.3	Low	58.2	Low	181 Å²	181	98.8 Å²	98.8	71%	0.71	51%	0.512	S	S	*	.	S	Bend	trans	-116.2	135.3	-177.1	-63.5	-81.7	0	0	0	107.9	G177 I181	G177-Y179 WeakPolarHBondContact O-CD2 3.42Å; G177-Y179 PolarHBondContact O-N 2.99Å; Y179-I181 HydrophobicContact CG-CD1 4.23Å; Y179-I181 HydrophobicContact CG-CG1 4.43Å; Y179-I181 PolarHBondContact O-N 3.21Å
180	D	56.8	Low	58.9	Low	139 Å²	139	101.3 Å²	101.3	74%	0.743	52%	0.523	S	S	*	.			trans	-68.8	44.8	174.9	-77.6	-33.8	0	0	0	112.3
181	I	45.4	Very low	59.5	Low	96 Å²	96	103.8 Å²	103.8	49%	0.492	53%	0.53	S	S	.	.			trans	-93.3	112.6	176.8	-17.7	178.6	0	0	0	107.5	K175 Y179	K175-I181 VanDerWaalsContact CB-O 3.24Å; K175-I181 WeakPolarHBondContact CB-O 3.24Å; K175-I181 PolarHBondContact N-O 2.94Å; Y179-I181 HydrophobicContact CG-CD1 4.23Å; Y179-I181 HydrophobicContact CG-CG1 4.43Å; Y179-I181 PolarHBondContact O-N 3.21Å
182	Y	59.1	Low	59.9	Low	118 Å²	118	103.5 Å²	103.5	46%	0.463	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	120	171	-66.1	-91.8	0	0	0	109	F173 R174	F173-Y182 CarbonylContact O-C 3.44Å; F173-Y182 WeakPolarHBondContact O-CA 3.39Å; R174-Y182 HydrophobicContact CG-CD1 4.28Å; R174-Y182 HydrophobicContact CG-CE1 3.78Å
183	G	57	Low	60.3	Low	16 Å²	16	104.5 Å²	104.5	17%	0.165	54%	0.543	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	145.2	163.2	0	0	0	0	0	109.7	K172 F173	K172-G183 CarbonylContact C-O 3.57Å; K172-G183 VanDerWaalsContact CA-O 3.28Å; K172-G183 WeakPolarHBondContact CA-O 3.3Å; F173-G183 WeakPolarHBondContact CD1-O 3.47Å; F173-G183 PolarHBondContact N-O 2.64Å; F173-G183 PolarHBondContact O-N 2.82Å
184	K	63.5	Low	60.9	Low	136 Å²	136	107.6 Å²	107.6	59%	0.591	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-116.1	118.9	169.8	-71.1	171	177	179.7	0	107.9	L170 T171 K172	L170-K184 HydrophobicContact CD1-CB 3.85Å; L170-K184 HydrophobicContact CD1-CD 4.49Å; L170-K184 HydrophobicContact CD1-CG 4.43Å; L170-K184 HydrophobicContact CD2-CD 4.05Å; L170-K184 HydrophobicContact CD2-CG 4.43Å; L170-K184 HydrophobicContact CG-CB 4.22Å; L170-K184 HydrophobicContact CG-CD 4.44Å; L170-K184 HydrophobicContact CG-CG 4.34Å; T171-K184 CarbonylContact O-C 3.51Å; T171-K184 WeakPolarHBondContact O-CA 3.42Å; K172-K184 HydrophobicContact CG-CG 4.08Å
185	K	66.3	Low	61.2	Low	149 Å²	149	103.1 Å²	103.1	65%	0.648	56%	0.557	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-104	125.7	171.6	-171.6	173.4	-178.9	-178.1	0	108.5	T171 F173	T171-K185 PolarHBondContact N-O 2.8Å; T171-K185 PolarHBondContact O-N 2.76Å; F173-K185 HydrophobicContact CD1-CB 4.43Å; F173-K185 HydrophobicContact CE1-CB 3.79Å
186	R	65	Low	61.8	Low	129 Å²	129	102 Å²	102	49%	0.487	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.6	129.2	170.7	-66.2	178.6	-168.5	-116.1	8	108.2	Y167 S169 L170 F188	Y167-R186 HydrophobicContact CG-CG 4.43Å; S169-R186 WeakPolarHBondContact O-CA 3.42Å; L170-R186 HydrophobicContact CD1-CG 3.57Å; R186-F188 HydrophobicContact CB-CE1 4.34Å; R186-F188 HydrophobicContact CB-CE2 3.84Å; R186-F188 HydrophobicContact CB-CZ 3.74Å; R186-F188 HydrophobicContact CG-CZ 4.48Å
187	Q	61.9	Low	62.6	Low	108 Å²	108	99.9 Å²	99.9	51%	0.505	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	121.8	166	-173.8	176.5	1.2	0	0	107.6	Y167 L168 S169	Y167-Q187 CarbonylContact C-O 3.55Å; Y167-Q187 VanDerWaalsContact CA-O 3.29Å; Y167-Q187 WeakPolarHBondContact CA-O 3.17Å; Y167-Q187 WeakPolarHBondContact CB-O 3.43Å; L168-Q187 PolarHBondContact N-O 2.92Å; S169-Q187 PolarHBondContact O-N 2.99Å; S169-Q187 WeakPolarHBondContact OG-CB 3.17Å; S169-Q187 PolarHBondContact OG-OE1 2.62Å
188	F	65.4	Low	63.2	Low	45 Å²	45	101.6 Å²	101.6	20%	0.197	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	142.7	177.8	-60	-82.7	0	0	0	109.7	V165 H166 R186 Y191 V197	V165-F188 HydrophobicContact CB-CD1 4.28Å; V165-F188 HydrophobicContact CB-CE1 3.97Å; V165-F188 HydrophobicContact CG2-CD1 4.45Å; V165-F188 HydrophobicContact CG2-CE1 3.66Å; V165-F188 HydrophobicContact CG2-CZ 4.46Å; H166-F188 WeakPolarHBondContact O-CD1 3.08Å; R186-F188 HydrophobicContact CB-CE1 4.34Å; R186-F188 HydrophobicContact CB-CE2 3.84Å; R186-F188 HydrophobicContact CB-CZ 3.74Å; R186-F188 HydrophobicContact CG-CZ 4.48Å; F188-Y191 HydrophobicContact CB-CE2 4.18Å; F188-V197 HydrophobicContact CB-CB 4.49Å; F188-V197 HydrophobicContact CB-CG1 3.84Å; F188-V197 HydrophobicContact CB-CG2 3.89Å; F188-V197 HydrophobicContact CD1-CB 4.41Å; F188-V197 HydrophobicContact CD1-CG1 3.43Å; F188-V197 VanDerWaalsContact CD1-CG1 3.43Å; F188-V197 HydrophobicContact CD1-CG2 4.09Å; F188-V197 HydrophobicContact CD2-CG1 4.35Å; F188-V197 HydrophobicContact CD2-CG2 3.45Å; F188-V197 VanDerWaalsContact CD2-CG2 3.45Å; F188-V197 HydrophobicContact CE1-CG1 4.03Å; F188-V197 HydrophobicContact CE2-CG2 3.93Å; F188-V197 HydrophobicContact CG-CB 4.24Å; F188-V197 HydrophobicContact CG-CG1 3.61Å; F188-V197 HydrophobicContact CG-CG2 3.53Å; F188-V197 HydrophobicContact CZ-CG2 4.43Å
189	L	63.9	Low	63.8	Low	85 Å²	85	103.2 Å²	103.2	45%	0.445	50%	0.497	S	S	.	.	S	Bend	trans	-75.4	-34.4	179.4	-86.7	169.1	0	0	0	112.1	L168	L168-L189 HydrophobicContact CB-CD2 4.15Å; L168-L189 HydrophobicContact CB-CG 3.89Å; L168-L189 HydrophobicContact CD1-CD1 4.26Å; L168-L189 HydrophobicContact CD1-CD2 3.89Å; L168-L189 HydrophobicContact CD1-CG 4.15Å; L168-L189 HydrophobicContact CD2-CD2 4.03Å; L168-L189 HydrophobicContact CG-CD2 4.23Å; L168-L189 HydrophobicContact CG-CG 4.44Å
190	D	67	Low	64.3	Low	83 Å²	83	99.2 Å²	99.2	44%	0.444	48%	0.481	S	S	.	.			trans	-137.6	130.2	-158.4	-145.6	-6	0	0	0	110.8	K198	D190-K198 HydrophobicContact CB-CB 4.18Å; D190-K198 HydrophobicContact CB-CD 4.27Å; D190-K198 HydrophobicContact CB-CG 4.32Å; D190-K198 VanDerWaalsContact CG-NZ 3.33Å; D190-K198 PolarHBondContact O-N 3.01Å; D190-K198 WeakPolarHBondContact OD1-CE 3.47Å; D190-K198 IonicContact OD1-NZ 2.72Å; D190-K198 PolarHBondContact OD1-NZ 3.02Å; D190-K198 IonicContact OD2-NZ 3.33Å; D190-K198 PolarHBondContact OD2-NZ 3.03Å
191	Y	68.4	Low	64.4	Low	114 Å²	114	94 Å²	94	45%	0.447	46%	0.46	S	S	.	.	B	Isolated β-bridge	trans	-126.5	141.1	-178.7	-68.2	-94	0	0	0	109.1	F188 G195 H196 V197 K198	F188-Y191 HydrophobicContact CB-CE2 4.18Å; Y191-G195 VanDerWaalsContact CD1-O 3.3Å; Y191-G195 WeakPolarHBondContact CD1-O 3.15Å; Y191-H196 CarbonylContact C-O 3.59Å; Y191-H196 WeakPolarHBondContact CA-O 2.99Å; Y191-V197 HydrophobicContact CD1-CG2 4.15Å; Y191-V197 HydrophobicContact CE1-CG2 3.63Å; Y191-K198 WeakPolarHBondContact O-CE 3.4Å
192	D	68.4	Low	65	Low	54 Å²	54	92.9 Å²	92.9	29%	0.289	46%	0.455	S	S	.	.			trans	-68.2	175.1	172.7	70.6	14.8	0	0	0	110.7	Q194 G195 H196 K198	D192-Q194 PolarHBondContact O-N 2.86Å; D192-Q194 VanDerWaalsContact O-N 3.12Å; D192-Q194 VanDerWaalsContact OD1-C 3.29Å; D192-Q194 VanDerWaalsContact OD1-CA 3.31Å; D192-Q194 WeakPolarHBondContact OD1-CA 3.16Å; D192-Q194 WeakPolarHBondContact OD1-CB 3.17Å; D192-Q194 PolarHBondContact OD1-N 3.12Å; D192-G195 PolarHBondContact O-N 2.82Å; D192-G195 PolarHBondContact OD1-N 3.09Å; D192-H196 PolarHBondContact N-O 3.47Å; D192-H196 IonicContact OD1-CG 4Å; D192-H196 PolarHBondContact OD1-N 3Å; D192-H196 IonicContact OD1-ND1 3.73Å; D192-H196 WeakPolarHBondContact OD2-CB 3.5Å; D192-H196 IonicContact OD2-CG 3.81Å; D192-H196 IonicContact OD2-ND1 3.35Å; D192-H196 PolarHBondContact OD2-ND1 2.95Å; D192-K198 HydrophobicContact CB-CG 4.22Å; D192-K198 VanDerWaalsContact N-CG 3.34Å
193	T	68.5	Low	65.1	Low	153 Å²	153	91.8 Å²	91.8	94%	0.939	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-14.8	179.7	50.8	0	0	0	0	113.5
194	Q	74.7	Confident	65.2	Low	150 Å²	150	94.4 Å²	94.4	70%	0.701	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-3.2	177.3	-60.7	-178.4	-18.2	0	0	112.4	D192 H196	D192-Q194 PolarHBondContact O-N 2.86Å; D192-Q194 VanDerWaalsContact O-N 3.12Å; D192-Q194 VanDerWaalsContact OD1-C 3.29Å; D192-Q194 VanDerWaalsContact OD1-CA 3.31Å; D192-Q194 WeakPolarHBondContact OD1-CA 3.16Å; D192-Q194 WeakPolarHBondContact OD1-CB 3.17Å; D192-Q194 PolarHBondContact OD1-N 3.12Å; Q194-H196 PolarHBondContact OE1-CE1 3.05Å
195	G	65	Low	64.9	Low	48 Å²	48	91.9 Å²	91.9	50%	0.495	45%	0.453	S	S	.	.	S	Bend	trans	83.5	13.2	-179.5	0	0	0	0	0	114.5	Y191 D192	Y191-G195 VanDerWaalsContact CD1-O 3.3Å; Y191-G195 WeakPolarHBondContact CD1-O 3.15Å; D192-G195 PolarHBondContact O-N 2.82Å; D192-G195 PolarHBondContact OD1-N 3.09Å
196	H	69.1	Low	64.9	Low	109 Å²	109	90.7 Å²	90.7	51%	0.505	45%	0.448	S	S	.	.	S	Bend	trans	-84.3	147.6	168.8	-49.2	114.9	0	0	0	110.2	Y191 D192 Q194 K198	Y191-H196 CarbonylContact C-O 3.59Å; Y191-H196 WeakPolarHBondContact CA-O 2.99Å; D192-H196 PolarHBondContact N-O 3.47Å; D192-H196 IonicContact OD1-CG 4Å; D192-H196 PolarHBondContact OD1-N 3Å; D192-H196 IonicContact OD1-ND1 3.73Å; D192-H196 WeakPolarHBondContact OD2-CB 3.5Å; D192-H196 IonicContact OD2-CG 3.81Å; D192-H196 IonicContact OD2-ND1 3.35Å; D192-H196 PolarHBondContact OD2-ND1 2.95Å; Q194-H196 PolarHBondContact OE1-CE1 3.05Å; H196-K198 PolarHBondContact O-N 3.34Å
197	V	67.9	Low	64.6	Low	34 Å²	34	87.4 Å²	87.4	21%	0.206	45%	0.449	C	S	.	.	B	Isolated β-bridge	trans	-58.1	123.8	175.1	176.1	0	0	0	0	108.9	V165 F188 Y191 K199	V165-V197 HydrophobicContact CB-CG1 3.87Å; V165-V197 HydrophobicContact CG1-CB 4.44Å; V165-V197 HydrophobicContact CG1-CG1 3.66Å; F188-V197 HydrophobicContact CB-CB 4.49Å; F188-V197 HydrophobicContact CB-CG1 3.84Å; F188-V197 HydrophobicContact CB-CG2 3.89Å; F188-V197 HydrophobicContact CD1-CB 4.41Å; F188-V197 HydrophobicContact CD1-CG1 3.43Å; F188-V197 VanDerWaalsContact CD1-CG1 3.43Å; F188-V197 HydrophobicContact CD1-CG2 4.09Å; F188-V197 HydrophobicContact CD2-CG1 4.35Å; F188-V197 HydrophobicContact CD2-CG2 3.45Å; F188-V197 VanDerWaalsContact CD2-CG2 3.45Å; F188-V197 HydrophobicContact CE1-CG1 4.03Å; F188-V197 HydrophobicContact CE2-CG2 3.93Å; F188-V197 HydrophobicContact CG-CB 4.24Å; F188-V197 HydrophobicContact CG-CG1 3.61Å; F188-V197 HydrophobicContact CG-CG2 3.53Å; F188-V197 HydrophobicContact CZ-CG2 4.43Å; Y191-V197 HydrophobicContact CD1-CG2 4.15Å; Y191-V197 HydrophobicContact CE1-CG2 3.63Å; V197-K199 PolarHBondContact O-N 3.2Å
198	K	67.6	Low	65	Low	95 Å²	95	90.2 Å²	90.2	41%	0.413	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-60.6	125.8	176.4	-70.3	-163.4	-172.5	134.4	0	109.2	D190 Y191 D192 H196	D190-K198 HydrophobicContact CB-CB 4.18Å; D190-K198 HydrophobicContact CB-CD 4.27Å; D190-K198 HydrophobicContact CB-CG 4.32Å; D190-K198 VanDerWaalsContact CG-NZ 3.33Å; D190-K198 PolarHBondContact O-N 3.01Å; D190-K198 WeakPolarHBondContact OD1-CE 3.47Å; D190-K198 IonicContact OD1-NZ 2.72Å; D190-K198 PolarHBondContact OD1-NZ 3.02Å; D190-K198 IonicContact OD2-NZ 3.33Å; D190-K198 PolarHBondContact OD2-NZ 3.03Å; Y191-K198 WeakPolarHBondContact O-CE 3.4Å; D192-K198 HydrophobicContact CB-CG 4.22Å; D192-K198 VanDerWaalsContact N-CG 3.34Å; H196-K198 PolarHBondContact O-N 3.34Å
199	K	66.1	Low	64.8	Low	125 Å²	125	92.8 Å²	92.8	54%	0.543	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	137.6	172	-56.9	-178	-177.8	172.1	0	108.3	D162 G164 V165 V197	D162-K199 HydrophobicContact CB-CB 4.3Å; D162-K199 HydrophobicContact CB-CD 3.91Å; D162-K199 WeakPolarHBondContact OD2-CD 3.43Å; D162-K199 WeakPolarHBondContact OD2-CE 3.29Å; D162-K199 IonicContact OD2-NZ 2.78Å; D162-K199 PolarHBondContact OD2-NZ 2.63Å; G164-K199 WeakPolarHBondContact O-CA 3.31Å; V165-K199 HydrophobicContact CG1-CG 3.87Å; V197-K199 PolarHBondContact O-N 3.2Å
200	Y	63.1	Low	64.8	Low	97 Å²	97	93.8 Å²	93.8	38%	0.38	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	156.5	174.8	62.1	-90.1	0	0	0	111.1	Y163 G164 H166	Y163-Y200 PolarHBondContact N-O 2.99Å; Y163-Y200 VanDerWaalsContact N-O 3.08Å; G164-Y200 VanDerWaalsContact O-CD1 3.24Å; G164-Y200 WeakPolarHBondContact O-CD1 3.5Å; G164-Y200 WeakPolarHBondContact O-CE1 3.26Å; G164-Y200 PolarHBondContact O-N 2.79Å; H166-Y200 HydrophobicContact CB-CE1 4.48Å; H166-Y200 AromaticContact CD2-CD1 3.17Å; H166-Y200 WeakPolarHBondContact CD2-CD1 3.07Å; H166-Y200 AromaticContact CD2-CE1 3.17Å; H166-Y200 WeakPolarHBondContact CD2-CE1 3.41Å; H166-Y200 AromaticContact CD2-CG 3.99Å; H166-Y200 AromaticContact CE1-CE1 3.62Å; H166-Y200 AromaticContact CE1-CZ 3.73Å; H166-Y200 AromaticContact CG-CD1 3.98Å; H166-Y200 AromaticContact CG-CE1 3.61Å; H166-Y200 AromaticContact ND1-CE1 3.86Å; H166-Y200 AromaticContact NE2-CD1 3.42Å; H166-Y200 WeakPolarHBondContact NE2-CD1 3.19Å; H166-Y200 AromaticContact NE2-CE1 3.19Å; H166-Y200 WeakPolarHBondContact NE2-CE1 3.47Å; H166-Y200 AromaticContact NE2-CG 3.91Å; H166-Y200 AromaticContact NE2-CZ 3.51Å
201	G	59.6	Low	64.5	Low	29 Å²	29	92.6 Å²	92.6	30%	0.299	47%	0.468	S	S	.	.			trans	74.4	37.2	177	0	0	0	0	0	113	Y163 Q203	Y163-G201 WeakPolarHBondContact CD2-O 3.22Å; G201-Q203 PolarHBondContact O-N 3.43Å
202	N	58.2	Low	64.3	Low	74 Å²	74	91.3 Å²	91.3	40%	0.396	47%	0.472	S	S	.	.			trans	-61.2	72.4	169.3	-175.5	26.1	0	0	0	110.3	H160	H160-N202 VanDerWaalsContact CB-OD1 3.26Å; H160-N202 WeakPolarHBondContact CB-OD1 3.45Å; H160-N202 PolarHBondContact CD2-OD1 3.1Å; H160-N202 VanDerWaalsContact CG-OD1 3.32Å
203	Q	59.6	Low	63.7	Low	95 Å²	95	90 Å²	90	44%	0.444	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	122.1	-176.5	-75.7	-171.7	-11.4	0	0	107.3	H160 Q161 Y163 G201 M205	H160-Q203 WeakPolarHBondContact CA-O 3.37Å; Q161-Q203 PolarHBondContact N-O 2.82Å; Q161-Q203 PolarHBondContact O-N 3.06Å; Y163-Q203 HydrophobicContact CE2-CB 4.1Å; Y163-Q203 HydrophobicContact CE2-CG 3.79Å; Y163-Q203 VanDerWaalsContact CZ-OE1 3.29Å; Y163-Q203 PolarHBondContact OH-OE1 3.1Å; G201-Q203 PolarHBondContact O-N 3.43Å; Q203-M205 PolarHBondContact O-N 3.46Å; Q203-M205 VanDerWaalsContact O-N 3.14Å
204	H	60.7	Low	63.2	Low	71 Å²	71	87.6 Å²	87.6	33%	0.329	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	112.4	169	-179.2	-93.2	0	0	0	108.8	H160	H160-H204 AromaticContact NE2-CD2 3.82Å
205	M	57.4	Low	62.3	Low	82 Å²	82	85.5 Å²	85.5	40%	0.404	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	134.8	178.8	-64.1	-62.6	-79.2	0	0	109.3	V158 G159 Q161 Q203	V158-M205 WeakPolarHBondContact CA-O 3.46Å; G159-M205 PolarHBondContact N-O 3.04Å; G159-M205 PolarHBondContact O-N 3.08Å; Q161-M205 HydrophobicContact CB-CG 3.89Å; Q203-M205 PolarHBondContact O-N 3.46Å; Q203-M205 VanDerWaalsContact O-N 3.14Å
206	K	66.2	Low	61.8	Low	125 Å²	125	88.7 Å²	88.7	54%	0.543	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	114.6	174	-171.6	178.7	-170.7	173.6	0	108.7	T156 G157 V158	T156-K206 HydrophobicContact CG2-CD 3.99Å; T156-K206 HydrophobicContact CG2-CG 3.57Å; G157-K206 WeakPolarHBondContact O-CA 3.44Å; V158-K206 HydrophobicContact CG1-CG 4.42Å
207	A	58.6	Low	60.9	Low	60 Å²	60	85 Å²	85	50%	0.496	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.7	176.2	0	0	0	0	0	109.6	T156 G157	T156-A207 CarbonylContact C-O 3.4Å; T156-A207 WeakPolarHBondContact CA-O 3.43Å; G157-A207 PolarHBondContact N-O 2.89Å; G157-A207 PolarHBondContact O-N 2.97Å
208	K	70.1	Confident	60.1	Low	166 Å²	166	91.9 Å²	91.9	72%	0.722	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.5	167.9	-67	-179.3	-179.3	179.1	0	107.8	M155	M155-K208 WeakPolarHBondContact O-CA 3.33Å
209	F	61.1	Low	59.1	Low	99 Å²	99	89.1 Å²	89.1	43%	0.434	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	149	175.5	58.4	-86.6	0	0	0	110	M155 V211	M155-F209 HydrophobicContact CB-CD1 4.37Å; M155-F209 HydrophobicContact CB-CD2 3.82Å; M155-F209 HydrophobicContact CB-CE1 3.96Å; M155-F209 HydrophobicContact CB-CE2 3.36Å; M155-F209 HydrophobicContact CB-CG 4.31Å; M155-F209 HydrophobicContact CB-CZ 3.43Å; M155-F209 VanDerWaalsContact CB-CZ 3.43Å; M155-F209 HydrophobicContact CG-CE2 4.02Å; M155-F209 HydrophobicContact CG-CZ 4.31Å; M155-F209 PolarHBondContact N-O 2.93Å; M155-F209 PolarHBondContact O-N 3.48Å; M155-F209 VanDerWaalsContact O-O 3.08Å; M155-F209 HydrophobicContact SD-CE2 3.57Å; M155-F209 VanDerWaalsContact SD-CE2 3.57Å; M155-F209 HydrophobicContact SD-CZ 3.96Å; F209-V211 HydrophobicContact CD2-CG2 3.7Å; F209-V211 HydrophobicContact CE2-CG2 3.66Å
210	E	64.1	Low	58.4	Low	107 Å²	107	89.5 Å²	89.5	50%	0.5	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	120.4	176.4	-168.7	173.3	134	0	0	107.8	H152 K154 V212	H152-E210 IonicContact CD2-OE1 3.63Å; H152-E210 IonicContact CE1-OE1 3.5Å; H152-E210 IonicContact NE2-OE1 2.64Å; H152-E210 PolarHBondContact NE2-OE1 2.85Å; K154-E210 HydrophobicContact CG-CG 4.49Å; E210-V212 HydrophobicContact CG-CG2 3.9Å
211	V	60.1	Low	57.5	Low	57 Å²	57	91.7 Å²	91.7	35%	0.345	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	113.2	172.8	-178.5	0	0	0	0	107.2	H152 G153 M155 F209	H152-V211 WeakPolarHBondContact CA-O 3.48Å; G153-V211 PolarHBondContact N-O 3.29Å; G153-V211 PolarHBondContact O-N 3.1Å; M155-V211 HydrophobicContact CG-CG2 4.39Å; M155-V211 HydrophobicContact SD-CG2 3.69Å; F209-V211 HydrophobicContact CD2-CG2 3.7Å; F209-V211 HydrophobicContact CE2-CG2 3.66Å
212	V	64.7	Low	57.1	Low	88 Å²	88	98.6 Å²	98.6	53%	0.533	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	118.9	171.5	-168.9	0	0	0	0	107.5	V151 E210	V151-V212 WeakPolarHBondContact O-CA 3.47Å; E210-V212 HydrophobicContact CG-CG2 3.9Å
213	G	54.8	Low	56.7	Low	25 Å²	25	101.5 Å²	101.5	26%	0.258	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	152.6	-178.9	0	0	0	0	0	112.6	V151	V151-G213 PolarHBondContact N-O 3.02Å; V151-G213 PolarHBondContact O-N 3.28Å
214	N	58.2	Low	56.1	Low	104 Å²	104	106.3 Å²	106.3	56%	0.556	54%	0.536	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.1	106.7	173.5	-63.3	-23.5	0	0	0	107.5	N150	N150-N214 PolarHBondContact OD1-OD1 2.78Å; N150-N214 VanDerWaalsContact OD1-OD1 3.1Å
215	L	55.1	Low	55.3	Low	105 Å²	105	106.4 Å²	106.4	55%	0.55	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	117.4	171.5	-175.6	68.2	0	0	0	108.3	L149	L149-L215 HydrophobicContact CB-CB 4.33Å; L149-L215 PolarHBondContact N-O 2.97Å; L149-L215 PolarHBondContact O-N 3Å
216	Q	56.4	Low	54.8	Low	116 Å²	116	107 Å²	107	54%	0.542	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.6	115.3	169.9	-64.1	-173.3	44.6	0	0	108
217	G	50.2	Low	53.7	Low	30 Å²	30	109.2 Å²	109.2	31%	0.309	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.7	135.8	175.2	0	0	0	0	0	110.3	S147	S147-G217 PolarHBondContact O-N 2.92Å
218	Y	50.9	Low	52.9	Low	179 Å²	179	114.8 Å²	114.8	70%	0.702	58%	0.58	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.3	121.1	162.4	-61.6	-89.9	0	0	0	107.4	H146	H146-Y218 AromaticContact CD2-CD1 3.89Å; H146-Y218 AromaticContact CD2-CE1 3.33Å; H146-Y218 WeakPolarHBondContact CD2-CE1 3.47Å; H146-Y218 AromaticContact NE2-CE1 3.43Å; H146-Y218 WeakPolarHBondContact NE2-CE1 3.34Å
219	S	45.4	Very low	51.5	Low	37 Å²	37	109.9 Å²	109.9	26%	0.259	57%	0.565	S	S	.	*			trans	-98.9	129.5	172	-180	0	0	0	0	109.3	F221	S219-F221 PolarHBondContact OG-N 2.87Å
220	T	51.2	Low	50.7	Low	133 Å²	133	110.7 Å²	110.7	82%	0.816	58%	0.583	S	S	*	*			trans	-100.8	7.2	168.5	56.4	0	0	0	0	112.4	K222	T220-K222 PolarHBondContact O-N 3.35Å
221	F	44.4	Very low	49.5	Very low	143 Å²	143	108.6 Å²	108.6	63%	0.627	59%	0.59	S	S	*	*			trans	-70.4	131.3	-177.5	-71.1	-83.5	0	0	0	111.1	S219 D223	S219-F221 PolarHBondContact OG-N 2.87Å; F221-D223 VanDerWaalsContact C-N 3.29Å
222	K	51.4	Low	48.6	Very low	174 Å²	174	110.2 Å²	110.2	76%	0.757	60%	0.604	S	S	*	*	S	Bend	trans	-69.8	-28.4	176.2	-82.3	-177	178.3	176.5	0	112.5	T220	T220-K222 PolarHBondContact O-N 3.35Å
223	D	49.4	Very low	47.4	Very low	135 Å²	135	112.9 Å²	112.9	72%	0.722	62%	0.62	S	S	*	*	S	Bend	trans	-107.3	145.1	-176.1	-57.7	-39.8	0	0	0	110.4	F221 S225	F221-D223 VanDerWaalsContact C-N 3.29Å; D223-S225 PolarHBondContact O-N 3.18Å
224	K	46.7	Very low	46.8	Very low	197 Å²	197	121.8 Å²	121.8	86%	0.857	65%	0.648	S	S	*	*			trans	-60.3	97.3	175	-69.4	178.7	-179.8	177.1	0	108.6	S226	K224-S226 PolarHBondContact O-N 2.84Å
225	S	44.3	Very low	45.8	Very low	73 Å²	73	119.5 Å²	119.5	51%	0.51	65%	0.649	S	S	.	*			trans	-75.6	110	170.3	56	0	0	0	0	108.4	D223	D223-S225 PolarHBondContact O-N 3.18Å
226	S	47	Very low	44.8	Very low	93 Å²	93	122.7 Å²	122.7	65%	0.65	67%	0.667	S	S	*	*			trans	-89.4	109.1	165.3	66.1	0	0	0	0	108.1	K224 K228	K224-S226 PolarHBondContact O-N 2.84Å; S226-K228 PolarHBondContact O-N 2.83Å
227	F	43	Very low	43.8	Very low	172 Å²	172	128.1 Å²	128.1	75%	0.754	68%	0.684	S	S	*	*			trans	-80.1	92.9	161.4	-173.2	-99.6	0	0	0	107.2	P229	F227-P229 HydrophobicContact CE1-CB 4.12Å; F227-P229 WeakPolarHBondContact O-CD 2.79Å
228	K	42.7	Very low	42.9	Very low	177 Å²	177	130.3 Å²	130.3	77%	0.77	71%	0.707	S	S	*	*			trans	-82.4	115.5	157.7	-77.4	-170	177.2	-175.8	0	105.4	S226 S230	S226-K228 PolarHBondContact O-N 2.83Å; K228-S230 PolarHBondContact O-N 2.73Å
229	P	41.4	Very low	41.8	Very low	64 Å²	64	125.3 Å²	125.3	42%	0.416	71%	0.71	S	S	.	*			trans	-52.3	139.6	163.9	23.3	-30.5	0	0	0	106.8	T136 F227 G231	T136-P229 HydrophobicContact CG2-CG 4.08Å; F227-P229 HydrophobicContact CE1-CB 4.12Å; F227-P229 WeakPolarHBondContact O-CD 2.79Å; P229-G231 VanDerWaalsContact C-N 3.35Å; P229-G231 PolarHBondContact O-N 2.85Å
230	S	42.9	Very low	41.2	Very low	116 Å²	116	131.7 Å²	131.7	81%	0.811	74%	0.741	S	S	*	*			trans	-51.1	108.1	172.7	53.6	0	0	0	0	106.5	K228 S232	K228-S230 PolarHBondContact O-N 2.73Å; S230-S232 PolarHBondContact O-N 2.99Å
231	G	40.4	Very low	40.4	Very low	63 Å²	63	128.6 Å²	128.6	65%	0.649	74%	0.735	S	S	*	*			trans	-50.8	120.6	176.5	0	0	0	0	0	105.8	P229 T233	P229-G231 VanDerWaalsContact C-N 3.35Å; P229-G231 PolarHBondContact O-N 2.85Å; G231-T233 PolarHBondContact O-N 3.47Å
232	S	39.6	Very low	40	Very low	91 Å²	91	129.8 Å²	129.8	64%	0.636	75%	0.748	S	S	*	*			trans	-40.5	114.1	173.3	51.2	0	0	0	0	108.5	S230 Y234	S230-S232 PolarHBondContact O-N 2.99Å; S232-Y234 PolarHBondContact O-N 3.25Å
233	T	40.5	Very low	39.2	Very low	143 Å²	143	124.9 Å²	124.9	88%	0.877	75%	0.747	S	S	*	*	S	Bend	trans	-57.9	-4.6	165.5	-48.1	0	0	0	0	111.6	G231	G231-T233 PolarHBondContact O-N 3.47Å
234	Y	40.8	Very low	38.2	Very low	212 Å²	212	121.5 Å²	121.5	83%	0.831	74%	0.744	S	S	*	*	S	Bend	trans	-90.2	106	173.3	-64.7	-80.6	0	0	0	111.4	S232	S232-Y234 PolarHBondContact O-N 3.25Å
235	G	37.3	Very low	37.6	Very low	57 Å²	57	121.3 Å²	121.3	59%	0.588	75%	0.747	S	S	*	*			trans	109.7	64	143.1	0	0	0	0	0	117.2	Y237	G235-Y237 PolarHBondContact O-N 2.86Å
236	N	34.7	Very low	37.1	Very low	171 Å²	171	123.6 Å²	123.6	91%	0.914	76%	0.763	S	S	*	*			trans	-65.3	51.8	148.2	-90.1	-42.7	0	0	0	111.4
237	Y	36.1	Very low	36.6	Very low	230 Å²	230	133.6 Å²	133.6	90%	0.902	79%	0.788	S	S	*	*			trans	-132.1	73.9	173	-74.5	-75.9	0	0	0	108.4	G235	G235-Y237 PolarHBondContact O-N 2.86Å
238	G	30.7	Very low	36.3	Very low	77 Å²	77	131.7 Å²	131.7	79%	0.794	79%	0.79	S	S	*	*	S	Bend	trans	-177.1	85	179	0	0	0	0	0	112.4
239	G	28.3	Very low	35.9	Very low	74 Å²	74	129.3 Å²	129.3	76%	0.763	79%	0.791	S	S	*	*			trans	87.2	91.1	159.3	0	0	0	0	0	114.1	G241	G239-G241 PolarHBondContact O-N 2.99Å
240	N	32.9	Very low	35.6	Very low	170 Å²	170	132.9 Å²	132.9	91%	0.909	81%	0.812	S	S	*	*			trans	-59.9	78.1	153.2	-151.8	2.9	0	0	0	107.5	N242	N240-N242 VanDerWaalsContact C-N 3.32Å; N240-N242 PolarHBondContact O-N 2.75Å
241	G	34	Very low	35.2	Very low	68 Å²	68	133.9 Å²	133.9	70%	0.701	81%	0.812	S	S	*	*			trans	-71.7	93.9	175.4	0	0	0	0	0	107.1	G239 G243	G239-G241 PolarHBondContact O-N 2.99Å; G241-G243 PolarHBondContact O-N 3.49Å
242	N	36	Very low	34.9	Very low	168 Å²	168	138.3 Å²	138.3	90%	0.898	82%	0.822	S	S	*	*			trans	-59.5	76.6	171.3	-166.4	14.6	0	0	0	109.3	N240 G244	N240-N242 VanDerWaalsContact C-N 3.32Å; N240-N242 PolarHBondContact O-N 2.75Å; N242-G244 PolarHBondContact O-N 2.72Å
243	G	33.7	Very low	34.6	Very low	72 Å²	72	141.5 Å²	141.5	74%	0.742	83%	0.834	S	S	*	*			trans	-97.9	86.8	-175.4	0	0	0	0	0	110.2	G241	G241-G243 PolarHBondContact O-N 3.49Å
244	G	29.9	Very low	34.1	Very low	64 Å²	64	141.4 Å²	141.4	66%	0.66	83%	0.831	S	S	*	*			trans	43.8	107.6	149.4	0	0	0	0	0	117.8	N242 S246	N242-G244 PolarHBondContact O-N 2.72Å; G244-S246 PolarHBondContact O-N 3.3Å
245	Q	33.8	Very low	33.6	Very low	193 Å²	193	135.9 Å²	135.9	90%	0.902	83%	0.831	S	S	*	*			trans	-55.1	127	159.3	-62.6	-153.7	-78.7	0	0	109.9
246	S	33.6	Very low	33.3	Very low	121 Å²	121	142.5 Å²	142.5	85%	0.846	85%	0.851	S	S	*	*			trans	-65.7	131.7	163.8	-73.2	0	0	0	0	109.4	G244	G244-S246 PolarHBondContact O-N 3.3Å
247	Y	36.1	Very low	33.2	Very low	302 Å²	302	139.9 Å²	139.9	100%	1.184	85%	0.846	S	S	*	*			trans	-70.1	0	160.5	-69.5	-85.2	0	0	0	110.9

Retrieved 247 of 247 residues in 393.1 ms (Link to these results)

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