A0A087XY33_POEFO Loading...

Sialidase-1

Catalyzes the removal of sialic acid (N-acetylneuraminic acid) moieties from glycoproteins and glycolipids. To be active, it is strictly dependent on its presence in the multienzyme complex. Appears to have a preference for alpha 2-3 and alpha 2-6 sialyl linkage.

AlphaFold DB , UniProt , Accession A0A087XY33, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 408 aa.

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(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	L	33.2	Very low	32.4	Very low	214 Å²	214	135.3 Å²	135.3	100%	1.12	79%	0.792	S	S	*	*				0	123.7	0	-84.5	59.2	0	0	0	107
2	I	34.7	Very low	32.2	Very low	147 Å²	147	133.3 Å²	133.3	75%	0.754	79%	0.791	S	S	*	*			cis	-143.1	110.2	-9	-81.8	173	0	0	0	103
3	V	27.9	Very low	32.1	Very low	128 Å²	128	129.9 Å²	129.9	78%	0.776	78%	0.778	S	S	*	*				53.2	102.8	91.3	176	0	0	0	0	110.8
4	A	31.2	Very low	32.1	Very low	85 Å²	85	130.9 Å²	130.9	70%	0.702	77%	0.771	S	S	*	*				169.8	167.3	80.4	0	0	0	0	0	109.7
5	L	31.2	Very low	32.1	Very low	134 Å²	134	135.5 Å²	135.5	70%	0.702	77%	0.769	S	S	*	*			cis	-168.4	129.4	-20.8	-95.6	167.1	0	0	0	107.7
6	F	30.4	Very low	32	Very low	201 Å²	201	139.8 Å²	139.8	88%	0.882	77%	0.769	S	S	*	*			trans	61.8	166.4	143	-73.8	-132.3	0	0	0	119
7	G	27.4	Very low	31.7	Very low	59 Å²	59	140.2 Å²	140.2	61%	0.608	77%	0.767	S	S	*	*			cis	160	103.3	-12.5	0	0	0	0	0	115.3
8	S	28.8	Very low	31.6	Very low	111 Å²	111	137.6 Å²	137.6	78%	0.776	77%	0.767	S	S	*	*			trans	50.7	145.7	134.1	65.5	0	0	0	0	124.6
9	V	30.1	Very low	31.4	Very low	139 Å²	139	136.4 Å²	136.4	84%	0.842	76%	0.763	S	S	*	*			trans	94.1	142.8	155	-157.3	0	0	0	0	118.8
10	L	29.8	Very low	31.2	Very low	161 Å²	161	140.4 Å²	140.4	84%	0.843	77%	0.768	S	S	*	*			trans	-89	-158.1	175.7	-61.4	157.3	0	0	0	110.3
11	P	51.7	Low	31	Very low	109 Å²	109	136.8 Å²	136.8	71%	0.708	76%	0.762	S	S	*	*			cis	-133.5	-170.3	-17.4	32.9	-10.8	0	0	0	115
12	S	29.8	Very low	30.8	Very low	111 Å²	111	133.4 Å²	133.4	78%	0.776	74%	0.744	S	S	*	*			trans	80.7	156.6	154.2	94.7	0	0	0	0	117.5
13	S	30.8	Very low	30.6	Very low	90 Å²	90	132.3 Å²	132.3	63%	0.629	74%	0.74	S	S	*	*			cis	-168.6	178.8	-14.8	46	0	0	0	0	112
14	Q	32.1	Very low	30.7	Very low	143 Å²	143	132 Å²	132	67%	0.668	73%	0.734	S	S	*	*			trans	80.8	151.6	167.8	-52.6	-174	31.7	0	0	116.6
15	R	32.7	Very low	30.6	Very low	200 Å²	200	136.7 Å²	136.7	76%	0.755	74%	0.739	S	S	*	*			cis	-167.1	176.5	-11.6	-104.5	169.2	-176.4	162.9	-8.4	106.7
16	R	31.3	Very low	30.4	Very low	204 Å²	204	138.7 Å²	138.7	77%	0.77	75%	0.745	S	S	*	*			cis	-158.2	158.3	8.4	-140.6	177.8	-177.4	-177.4	-2.7	112.5
17	M	26.8	Very low	30.5	Very low	148 Å²	148	137.5 Å²	137.5	73%	0.729	74%	0.742	S	S	*	*			trans	-22.6	145.6	164	-56.3	177.5	-71.9	0	0	123.7
18	A	29.1	Very low	30.8	Very low	92 Å²	92	141.8 Å²	141.8	76%	0.76	75%	0.751	S	S	*	*				-175.3	125.3	107.8	0	0	0	0	0	111.2
19	V	28.4	Very low	30.9	Very low	116 Å²	116	145.6 Å²	145.6	70%	0.703	75%	0.753	S	S	*	*				43.4	138	80	-100.1	0	0	0	0	116.8
20	Y	27.7	Very low	30.8	Very low	216 Å²	216	147.3 Å²	147.3	85%	0.847	76%	0.757	S	S	*	*			cis	-153.2	165.4	24.8	-114.3	-71.1	0	0	0	114.4	I22	Y20-I22 HydrophobicContact CD1-CD1 4.5Å
21	G	27	Very low	30.9	Very low	64 Å²	64	146.4 Å²	146.4	66%	0.66	75%	0.752	S	S	*	*			trans	127.4	123.3	167	0	0	0	0	0	113.1
22	I	29.3	Very low	30.2	Very low	143 Å²	143	148.9 Å²	148.9	73%	0.733	76%	0.759	S	S	*	*			cis	72.7	118.4	30.4	-49.7	178.1	0	0	0	110.9	Y20	Y20-I22 HydrophobicContact CD1-CD1 4.5Å
23	D	29.4	Very low	30.1	Very low	124 Å²	124	146.7 Å²	146.7	66%	0.663	75%	0.754	S	S	*	*			cis	-153.5	159.5	18	-132.8	-9.5	0	0	0	113.4
24	N	29.1	Very low	30.4	Very low	122 Å²	122	150 Å²	150	65%	0.652	76%	0.763	S	S	*	*			trans	50.4	149.8	147.9	-63	-36.2	0	0	0	121.7
25	F	29.6	Very low	30.3	Very low	183 Å²	183	152.1 Å²	152.1	80%	0.803	77%	0.77	S	S	*	*			cis	-158.8	134.9	2.2	-146.5	-117.6	0	0	0	110.2
26	Q	28.3	Very low	30.3	Very low	177 Å²	177	147.3 Å²	147.3	83%	0.827	77%	0.767	S	S	*	*			trans	159	129.6	144	-93.7	-171.3	-94.9	0	0	110.1
27	Q	32.5	Very low	30.3	Very low	175 Å²	175	144 Å²	144	82%	0.818	77%	0.769	S	S	*	*			trans	-105.4	137.3	165.5	-64.9	177.2	-67	0	0	108.4
28	D	31.8	Very low	30.6	Very low	150 Å²	150	141.6 Å²	141.6	80%	0.802	77%	0.767	S	S	*	*			trans	-148.5	144.9	153.1	-97.8	-49.6	0	0	0	109.2
29	F	31.5	Very low	31	Very low	190 Å²	190	141.6 Å²	141.6	83%	0.833	76%	0.762	S	S	*	*			trans	-84	122.8	-172.6	-91.8	-106.7	0	0	0	111.8	L31	F29-L31 PolarHBondContact O-N 3.41Å
30	L	29.1	Very low	31.3	Very low	176 Å²	176	143.4 Å²	143.4	92%	0.921	77%	0.767	S	S	*	*			trans	-76.6	113.7	169.6	-99.7	161.5	0	0	0	110.8
31	L	31.5	Very low	31.6	Very low	142 Å²	142	140.5 Å²	140.5	74%	0.743	77%	0.766	S	S	*	*			trans	-133.8	119.2	166.9	-133.7	87.7	0	0	0	111.4	F29	F29-L31 PolarHBondContact O-N 3.41Å
32	L	35.7	Very low	31.8	Very low	160 Å²	160	146 Å²	146	84%	0.838	77%	0.774	S	S	*	*			trans	40	98.6	154.3	-70.7	161.4	0	0	0	118.9
33	G	28.9	Very low	31.9	Very low	66 Å²	66	143.8 Å²	143.8	68%	0.68	77%	0.772	S	S	*	*			trans	-120.7	114.8	154.8	0	0	0	0	0	110.6	F35	G33-F35 PolarHBondContact O-N 3.48Å
34	I	36.5	Very low	32.2	Very low	160 Å²	160	144.5 Å²	144.5	82%	0.821	78%	0.78	S	S	*	*			trans	-83.5	112.1	175.7	-61.7	172.9	0	0	0	108.6
35	F	29.9	Very low	32.5	Very low	187 Å²	187	147.3 Å²	147.3	82%	0.82	79%	0.789	S	S	*	*			trans	-95.4	100	168.6	-82.9	-86.9	0	0	0	110.4	G33 V37	G33-F35 PolarHBondContact O-N 3.48Å; F35-V37 PolarHBondContact O-N 3.03Å
36	S	32.5	Very low	33	Very low	98 Å²	98	141.6 Å²	141.6	69%	0.685	78%	0.782	S	S	*	*			trans	-70.2	109.4	161.1	54	0	0	0	0	108.7	S38	S36-S38 PolarHBondContact O-N 3.27Å
37	V	32.2	Very low	33.7	Very low	134 Å²	134	138.5 Å²	138.5	81%	0.812	77%	0.771	S	S	*	*			trans	-73.1	97.4	171.1	-179.5	0	0	0	0	108	F35 S39	F35-V37 PolarHBondContact O-N 3.03Å; V37-S39 PolarHBondContact O-N 3.15Å
38	S	33.3	Very low	34.4	Very low	98 Å²	98	137.7 Å²	137.7	69%	0.685	77%	0.772	S	S	*	*			trans	-66.3	93.9	172.8	-57.3	0	0	0	0	109.5	S36 N40	S36-S38 PolarHBondContact O-N 3.27Å; S38-N40 PolarHBondContact O-N 2.94Å; S38-N40 VanDerWaalsContact O-N 3.15Å
39	S	36.5	Very low	36	Very low	92 Å²	92	135.2 Å²	135.2	64%	0.643	75%	0.752	S	S	*	*			trans	-66.7	111.9	170.1	51	0	0	0	0	108.8	V37 L41	V37-S39 PolarHBondContact O-N 3.15Å; S39-L41 PolarHBondContact O-N 3.05Å
40	N	34.3	Very low	38.5	Very low	155 Å²	155	132.4 Å²	132.4	83%	0.829	75%	0.745	S	S	*	*			trans	-67.6	73.8	170	-79.9	-13.2	0	0	0	110.3	S38 Q42	S38-N40 PolarHBondContact O-N 2.94Å; S38-N40 VanDerWaalsContact O-N 3.15Å; N40-Q42 PolarHBondContact O-N 2.76Å
41	L	34	Very low	41.6	Very low	154 Å²	154	125 Å²	125	81%	0.806	71%	0.706	S	S	*	*			trans	-66.5	92.3	151.4	-85.2	155.4	0	0	0	106.4	S39 S43	S39-L41 PolarHBondContact O-N 3.05Å; L41-S43 VanDerWaalsContact C-N 3.28Å; L41-S43 PolarHBondContact O-N 2.98Å
42	Q	31.5	Very low	44.7	Very low	180 Å²	180	121 Å²	121	84%	0.841	69%	0.685	S	S	*	*			trans	-62.6	102.4	156.2	-74.7	178	-81.9	0	0	106.1	N40 V44	N40-Q42 PolarHBondContact O-N 2.76Å; Q42-V44 PolarHBondContact O-N 3.09Å
43	S	31.8	Very low	47.6	Very low	97 Å²	97	113.8 Å²	113.8	68%	0.678	65%	0.648	S	S	*	*			trans	-52.6	122.6	161.7	46.5	0	0	0	0	107.3	L41 E45	L41-S43 VanDerWaalsContact C-N 3.28Å; L41-S43 PolarHBondContact O-N 2.98Å; S43-E45 PolarHBondContact O-N 3.21Å; S43-E45 VanDerWaalsContact O-N 3.09Å
44	V	35.6	Very low	50.8	Low	139 Å²	139	113.7 Å²	113.7	84%	0.842	63%	0.631	S	S	*	*			trans	-57.3	117.7	159.7	177.7	0	0	0	0	105.3	Q42 G46	Q42-V44 PolarHBondContact O-N 3.09Å; V44-G46 PolarHBondContact O-N 3.23Å
45	E	35.1	Very low	53.7	Low	181 Å²	181	108.7 Å²	108.7	85%	0.846	61%	0.609	S	S	*	*			trans	-64.2	102.7	172.8	-69.6	-179.5	136.5	0	0	106.8	S43 D47	S43-E45 PolarHBondContact O-N 3.21Å; S43-E45 VanDerWaalsContact O-N 3.09Å; E45-D47 PolarHBondContact O-N 2.94Å
46	G	39.6	Very low	56.9	Low	63 Å²	63	104.9 Å²	104.9	65%	0.649	59%	0.592	S	S	*	*			trans	-62.2	120.1	169.9	0	0	0	0	0	107.6	V44 D48	V44-G46 PolarHBondContact O-N 3.23Å; G46-D48 PolarHBondContact O-N 2.69Å
47	D	44.7	Very low	59.9	Low	112 Å²	112	103 Å²	103	60%	0.599	57%	0.572	S	S	*	*			trans	-61.7	105.8	176.8	-168.9	-12.2	0	0	0	107.9	E45 R49	E45-D47 PolarHBondContact O-N 2.94Å; D47-R49 HydrophobicContact CB-CG 4.5Å; D47-R49 VanDerWaalsContact CG-NE 3.29Å; D47-R49 PolarHBondContact O-N 2.81Å; D47-R49 WeakPolarHBondContact OD1-CG 3.2Å; D47-R49 IonicContact OD1-NE 3.79Å; D47-R49 PolarHBondContact OD1-NE 3.35Å; D47-R49 IonicContact OD2-CZ 2.72Å; D47-R49 IonicContact OD2-NE 3Å; D47-R49 PolarHBondContact OD2-NE 2.76Å; D47-R49 IonicContact OD2-NH2 3.19Å; D47-R49 PolarHBondContact OD2-NH2 2.97Å
48	D	46	Very low	63	Low	157 Å²	157	100.1 Å²	100.1	84%	0.84	55%	0.55	S	S	*	.			trans	-78.1	41.7	-161.7	-154.6	18.7	0	0	0	112.2	G46 L50	G46-D48 PolarHBondContact O-N 2.69Å; D48-L50 VanDerWaalsContact C-N 3.28Å; D48-L50 PolarHBondContact O-N 2.9Å
49	R	65.2	Low	66.1	Low	99 Å²	99	97.3 Å²	97.3	37%	0.374	53%	0.526	S	S	.	.			trans	-74.6	79.8	179	-51.5	-165.4	-163.4	167.2	12.5	109.9	D47 L51 Y405	D47-R49 HydrophobicContact CB-CG 4.5Å; D47-R49 VanDerWaalsContact CG-NE 3.29Å; D47-R49 PolarHBondContact O-N 2.81Å; D47-R49 WeakPolarHBondContact OD1-CG 3.2Å; D47-R49 IonicContact OD1-NE 3.79Å; D47-R49 PolarHBondContact OD1-NE 3.35Å; D47-R49 IonicContact OD2-CZ 2.72Å; D47-R49 IonicContact OD2-NE 3Å; D47-R49 PolarHBondContact OD2-NE 2.76Å; D47-R49 IonicContact OD2-NH2 3.19Å; D47-R49 PolarHBondContact OD2-NH2 2.97Å; R49-L51 PolarHBondContact O-N 3.45Å; R49-L51 VanDerWaalsContact O-N 3.1Å; R49-Y405 HydrophobicContact CB-CD1 3.53Å; R49-Y405 HydrophobicContact CB-CE1 3.56Å; R49-Y405 HydrophobicContact CB-CG 4.36Å; R49-Y405 WeakPolarHBondContact O-CE1 3.42Å
50	L	85.4	Confident	69	Low	130 Å²	130	97.4 Å²	97.4	68%	0.681	52%	0.519	S	S	*	.			trans	-44.6	118.5	168.6	178.8	66.3	0	0	0	110.5	D48 D52	D48-L50 VanDerWaalsContact C-N 3.28Å; D48-L50 PolarHBondContact O-N 2.9Å; L50-D52 PolarHBondContact O-N 3.2Å
51	L	93.6	Very high	72.1	Confident	21 Å²	21	90.2 Å²	90.2	11%	0.11	48%	0.48	C	S	.	.			trans	-58.9	127.6	175.3	-69.5	172.4	0	0	0	110.2	R49 V324 L345 L404 Y405	R49-L51 PolarHBondContact O-N 3.45Å; R49-L51 VanDerWaalsContact O-N 3.1Å; L51-V324 HydrophobicContact CD1-CG1 3.93Å; L51-V324 HydrophobicContact CD1-CG2 4.04Å; L51-L345 HydrophobicContact CD1-CD2 3.91Å; L51-L404 HydrophobicContact CD2-CB 4.1Å; L51-Y405 HydrophobicContact CD2-CD1 4.16Å; L51-Y405 HydrophobicContact CD2-CE1 3.67Å
52	D	95.4	Very high	75.1	Confident	57 Å²	57	83.1 Å²	83.1	31%	0.305	44%	0.443	S	S	.	.	B	Isolated β-bridge	trans	-142.4	66.5	174.4	-153.4	29.4	0	0	0	108.4	L50 K354 L404 G406	L50-D52 PolarHBondContact O-N 3.2Å; D52-K354 IonicContact OD1-NZ 3.14Å; D52-K354 PolarHBondContact OD1-NZ 3.14Å; D52-L404 CarbonylContact C-O 3.54Å; D52-L404 PolarHBondContact N-O 3.19Å; D52-G406 WeakPolarHBondContact O-CA 3.27Å; D52-G406 PolarHBondContact O-N 3.45Å
53	P	97	Very high	78.3	Confident	10 Å²	10	77.3 Å²	77.3	7%	0.065	42%	0.419	C	S	.	.			trans	-63.4	141.2	-171.5	-21.9	35.3	0	0	0	111.4	L341 W343 V356 I402 H403 L404	P53-L341 HydrophobicContact CB-CD2 4.11Å; P53-W343 HydrophobicContact CB-CZ3 4.45Å; P53-W343 VanDerWaalsContact CD-CH2 3.45Å; P53-W343 VanDerWaalsContact CD-CZ2 3.46Å; P53-W343 HydrophobicContact CG-CD2 4.14Å; P53-W343 HydrophobicContact CG-CE3 4.02Å; P53-W343 HydrophobicContact CG-CH2 3.92Å; P53-W343 HydrophobicContact CG-CZ2 4.02Å; P53-W343 HydrophobicContact CG-CZ3 3.93Å; P53-V356 HydrophobicContact CB-CG2 4.01Å; P53-V356 WeakPolarHBondContact O-CG2 3.5Å; P53-I402 HydrophobicContact CB-CG2 4.01Å; P53-H403 CarbonylContact C-O 3.51Å; P53-H403 VanDerWaalsContact CA-O 3.28Å; P53-H403 WeakPolarHBondContact CA-O 3.17Å; P53-L404 HydrophobicContact CB-CD2 4.46Å; P53-L404 HydrophobicContact CG-CD2 4.42Å
54	L	96.6	Very high	81.3	Confident	63 Å²	63	73.8 Å²	73.8	33%	0.33	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	152.6	173	59.8	74.8	0	0	0	112.2	F56 I402 H403	L54-F56 HydrophobicContact CD1-CB 4.06Å; L54-F56 HydrophobicContact CD1-CD2 4.43Å; L54-F56 PolarHBondContact O-N 3.42Å; L54-I402 CarbonylContact O-C 3.43Å; L54-I402 VanDerWaalsContact O-CA 3.25Å; L54-I402 WeakPolarHBondContact O-CA 3.44Å; L54-I402 WeakPolarHBondContact O-CG2 3.32Å; L54-H403 HydrophobicContact CD1-CB 4.05Å; L54-H403 PolarHBondContact N-O 2.87Å; L54-H403 PolarHBondContact O-N 2.85Å
55	V	97.8	Very high	83.7	Confident	56 Å²	56	70 Å²	70	34%	0.339	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	111.6	165.5	168.1	0	0	0	0	107.6	V356 I358 V400	V55-V356 HydrophobicContact CG2-CG1 4.07Å; V55-I358 HydrophobicContact CG2-CG1 4.36Å; V55-V400 HydrophobicContact CB-CG2 4.25Å; V55-V400 HydrophobicContact CG1-CG2 3.58Å; V55-V400 HydrophobicContact CG2-CG2 3.98Å
56	F	96.6	Very high	85.2	Confident	106 Å²	106	69 Å²	69	47%	0.465	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-43.8	-178.8	-178.7	-94.7	0	0	0	111.2	L54 Y381 K401 H403	L54-F56 HydrophobicContact CD1-CB 4.06Å; L54-F56 HydrophobicContact CD1-CD2 4.43Å; L54-F56 PolarHBondContact O-N 3.42Å; F56-Y381 HydrophobicContact CD1-CE1 4.27Å; F56-Y381 HydrophobicContact CG-CE1 4.26Å; F56-K401 WeakPolarHBondContact CB-O 3.48Å; F56-K401 PolarHBondContact N-O 3.11Å; F56-H403 HydrophobicContact CB-CB 4.07Å; F56-H403 HydrophobicContact CD2-CB 4.23Å; F56-H403 HydrophobicContact CG-CB 4.43Å
57	E	96.3	Very high	86.4	Confident	60 Å²	60	72.5 Å²	72.5	28%	0.28	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	137.3	-178.9	-176.8	179.8	-174.5	0	0	110	Q59 V400 K401	E57-Q59 HydrophobicContact CG-CG 4.28Å; E57-Q59 PolarHBondContact OE1-NE2 3.45Å; E57-V400 CarbonylContact O-C 3.49Å; E57-V400 VanDerWaalsContact O-CA 3.31Å; E57-V400 WeakPolarHBondContact O-CA 3.39Å; E57-V400 VanDerWaalsContact O-CG2 3.3Å; E57-V400 WeakPolarHBondContact O-CG2 3.48Å; E57-K401 HydrophobicContact CB-CB 4.31Å; E57-K401 HydrophobicContact CB-CD 4.39Å; E57-K401 PolarHBondContact N-O 2.88Å; E57-K401 PolarHBondContact O-N 2.85Å
58	E	97.8	Very high	88.2	Confident	73 Å²	73	70.9 Å²	70.9	34%	0.341	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.5	169.8	-162.9	-151.9	138.5	0	0	109.8	Y386 K388 S398 F399 V400	E58-Y386 PolarHBondContact OE1-OH 2.8Å; E58-Y386 PolarHBondContact OE2-OH 2.89Å; E58-K388 VanDerWaalsContact OE1-CE 3.29Å; E58-K388 WeakPolarHBondContact OE1-CE 3.47Å; E58-K388 IonicContact OE1-NZ 2.66Å; E58-K388 PolarHBondContact OE1-NZ 2.82Å; E58-K388 IonicContact OE2-NZ 2.64Å; E58-K388 PolarHBondContact OE2-NZ 2.93Å; E58-S398 WeakPolarHBondContact OE1-CB 3.27Å; E58-S398 PolarHBondContact OE1-OG 2.02Å; E58-F399 CarbonylContact C-O 3.57Å; E58-F399 WeakPolarHBondContact CA-O 3.31Å; E58-F399 WeakPolarHBondContact CG-O 2.99Å; E58-V400 HydrophobicContact CB-CG2 4.4Å; E58-V400 HydrophobicContact CG-CB 4.29Å
59	Q	98.2	Very high	90.3	Very high	38 Å²	38	70.1 Å²	70.1	18%	0.178	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141.7	174.7	-58.2	-163.7	0.6	0	0	112	E57 G114 N115 S398 F399	E57-Q59 HydrophobicContact CG-CG 4.28Å; E57-Q59 PolarHBondContact OE1-NE2 3.45Å; Q59-G114 PolarHBondContact NE2-O 2.87Å; Q59-G114 PolarHBondContact OE1-O 2.72Å; Q59-N115 PolarHBondContact NE2-O 3Å; Q59-S398 WeakPolarHBondContact O-CA 3.27Å; Q59-F399 HydrophobicContact CB-CD1 4.24Å; Q59-F399 HydrophobicContact CG-CD1 4.46Å; Q59-F399 PolarHBondContact N-O 3.49Å; Q59-F399 PolarHBondContact O-N 3.47Å
60	L	97.6	Very high	91.8	Very high	94 Å²	94	65.6 Å²	65.6	49%	0.492	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	110.4	179.6	-165.2	64.3	0	0	0	110.4	V63 T396	L60-V63 HydrophobicContact CD2-CG2 3.68Å; L60-V63 HydrophobicContact CG-CG2 4.06Å; L60-T396 HydrophobicContact CD1-CG2 3.88Å
61	L	98.2	Very high	92.4	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.021	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-46.5	-176.8	-62.2	-167.5	0	0	0	112.4	A88 R108 W117 I385 I397 F399	L61-A88 HydrophobicContact CD1-CB 3.51Å; L61-R108 PolarHBondContact O-NE 3.47Å; L61-R108 PolarHBondContact O-NH1 2.91Å; L61-R108 PolarHBondContact O-NH2 3.1Å; L61-W117 HydrophobicContact CD1-CZ2 4.46Å; L61-W117 HydrophobicContact CD2-CB 4.47Å; L61-W117 HydrophobicContact CD2-CD2 3.87Å; L61-W117 HydrophobicContact CD2-CG 3.73Å; L61-I385 HydrophobicContact CD1-CD1 3.95Å; L61-I385 HydrophobicContact CD1-CG1 4.45Å; L61-I397 PolarHBondContact N-O 3.22Å; L61-F399 HydrophobicContact CD1-CB 3.65Å; L61-F399 HydrophobicContact CD2-CB 4.2Å; L61-F399 HydrophobicContact CG-CB 3.76Å
62	W	98	Very high	92.6	Very high	6 Å²	6	60 Å²	60	2%	0.023	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148.3	-179.4	-65.8	-73.9	0	0	0	112.7	Y73 A88 A90 A106 R108 T120 I385 T396 I397	W62-Y73 HydrophobicContact CB-CD1 4Å; W62-Y73 HydrophobicContact CB-CD2 3.71Å; W62-Y73 HydrophobicContact CB-CE1 4.47Å; W62-Y73 HydrophobicContact CB-CE2 4.21Å; W62-Y73 HydrophobicContact CB-CG 3.58Å; W62-Y73 AromaticContact CD1-CD1 3.68Å; W62-Y73 AromaticContact CD1-CE1 3.39Å; W62-Y73 AromaticContact CD1-CE2 3.99Å; W62-Y73 AromaticContact CD1-CZ 3.56Å; W62-Y73 HydrophobicContact CD2-CD1 4.17Å; W62-Y73 AromaticContact CG-CD1 3.7Å; W62-Y73 HydrophobicContact CG-CD1 3.7Å; W62-Y73 HydrophobicContact CG-CD2 4.19Å; W62-Y73 AromaticContact CG-CE1 3.92Å; W62-Y73 HydrophobicContact CG-CE1 3.92Å; W62-Y73 HydrophobicContact CG-CE2 4.39Å; W62-Y73 AromaticContact CG-CG 3.83Å; W62-Y73 HydrophobicContact CG-CG 3.83Å; W62-Y73 AromaticContact NE1-CE1 3.71Å; W62-A88 HydrophobicContact CH2-CB 4.01Å; W62-A88 WeakPolarHBondContact CH2-O 3.45Å; W62-A88 HydrophobicContact CZ3-CB 4.18Å; W62-A90 HydrophobicContact CE3-CB 3.95Å; W62-A90 HydrophobicContact CH2-CB 3.98Å; W62-A90 HydrophobicContact CZ3-CB 3.65Å; W62-A106 HydrophobicContact CZ2-CB 4.22Å; W62-R108 HydrophobicContact CZ2-CB 4.26Å; W62-R108 HydrophobicContact CZ2-CG 3.79Å; W62-T120 HydrophobicContact CZ2-CG2 4.43Å; W62-T120 PolarHBondContact NE1-OG1 2.74Å; W62-I385 HydrophobicContact CZ3-CD1 4.14Å; W62-T396 CarbonylContact O-C 3.55Å; W62-T396 VanDerWaalsContact O-CA 3.25Å; W62-T396 WeakPolarHBondContact O-CA 3.05Å; W62-T396 WeakPolarHBondContact O-CB 3.26Å; W62-I397 HydrophobicContact CB-CB 4.34Å; W62-I397 HydrophobicContact CE3-CB 3.99Å; W62-I397 HydrophobicContact CE3-CD1 4.06Å; W62-I397 HydrophobicContact CE3-CG2 3.82Å; W62-I397 HydrophobicContact CZ3-CG2 4.25Å; W62-I397 PolarHBondContact N-O 3.39Å; W62-I397 VanDerWaalsContact N-O 3.1Å; W62-I397 PolarHBondContact O-N 2.83Å
63	V	97.1	Very high	92.7	Very high	57 Å²	57	58.3 Å²	58.3	35%	0.345	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	123.7	179.3	-177.5	0	0	0	0	108.3	L60 T396	L60-V63 HydrophobicContact CD2-CG2 3.68Å; L60-V63 HydrophobicContact CG-CG2 4.06Å; V63-T396 HydrophobicContact CG1-CG2 4.4Å; V63-T396 HydrophobicContact CG2-CG2 4.25Å
64	S	96.3	Very high	92.8	Very high	24 Å²	24	58.5 Å²	58.5	17%	0.168	32%	0.321	C	S	.	.			trans	-76.4	155.2	174.1	-62.1	0	0	0	0	110.6	T72 Y73 I394 E395	S64-T72 WeakPolarHBondContact OG-CA 3.25Å; S64-T72 WeakPolarHBondContact OG-CG2 3.32Å; S64-Y73 PolarHBondContact OG-N 2.55Å; S64-I394 VanDerWaalsContact CB-O 3.29Å; S64-I394 WeakPolarHBondContact CB-O 3.39Å; S64-I394 PolarHBondContact OG-O 3.3Å; S64-E395 WeakPolarHBondContact CB-O 3.44Å; S64-E395 PolarHBondContact N-O 2.72Å
65	G	85.8	Confident	92.8	Very high	59 Å²	59	56 Å²	56	61%	0.608	31%	0.307	S	S	*	.	S	Bend	trans	123.4	38.3	179.3	0	0	0	0	0	115.6	N71	G65-N71 PolarHBondContact N-O 3.47Å
66	K	65.4	Low	92.9	Very high	159 Å²	159	53.4 Å²	53.4	69%	0.691	29%	0.292	S	S	*	.			trans	61.9	52.8	175	-59.7	-175.2	176.4	-177.6	0	115.1	V70 N71	K66-V70 VanDerWaalsContact CA-O 3.31Å; K66-V70 WeakPolarHBondContact CA-O 3.41Å; K66-N71 PolarHBondContact N-O 2.79Å
67	Q	66.3	Low	93	Very high	138 Å²	138	48.4 Å²	48.4	65%	0.645	27%	0.27	S	S	*	.	B	Isolated β-bridge	trans	-90.3	116.7	161.6	-66.6	-167.1	9.1	0	0	109.9	V70	Q67-V70 PolarHBondContact N-O 2.75Å
68	G	81.9	Confident	93.1	Very high	78 Å²	78	45.6 Å²	45.6	80%	0.804	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	-132	-176.8	0	0	0	0	0	112.5
69	Q	91.1	Very high	93.1	Very high	141 Å²	141	42.1 Å²	42.1	66%	0.659	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	4.3	-176	-59.9	-176.7	6.7	0	0	113.8	F104	Q69-F104 HydrophobicContact CB-CE2 3.84Å; Q69-F104 HydrophobicContact CB-CZ 4.05Å
70	V	96.4	Very high	93	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.024	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-110	129.8	179.3	177.8	0	0	0	0	110.5	K66 Q67 T72 Y73 F104 F122	K66-V70 VanDerWaalsContact CA-O 3.31Å; K66-V70 WeakPolarHBondContact CA-O 3.41Å; Q67-V70 PolarHBondContact N-O 2.75Å; V70-T72 WeakPolarHBondContact CG1-O 3.35Å; V70-Y73 HydrophobicContact CB-CE1 4.28Å; V70-Y73 HydrophobicContact CB-CE2 3.86Å; V70-Y73 HydrophobicContact CG1-CD1 4.08Å; V70-Y73 HydrophobicContact CG1-CD2 3.69Å; V70-Y73 HydrophobicContact CG1-CE1 3.88Å; V70-Y73 HydrophobicContact CG1-CE2 3.47Å; V70-Y73 VanDerWaalsContact CG1-CE2 3.47Å; V70-Y73 HydrophobicContact CG1-CG 4Å; V70-Y73 HydrophobicContact CG2-CE1 4.09Å; V70-F104 HydrophobicContact CG2-CD2 3.81Å; V70-F104 HydrophobicContact CG2-CE2 4.19Å; V70-F122 HydrophobicContact CG2-CE1 4.24Å; V70-F122 HydrophobicContact CG2-CZ 4.25Å
71	N	96.8	Very high	92.9	Very high	28 Å²	28	36.4 Å²	36.4	15%	0.15	21%	0.212	C	C	.	.	S	Bend	trans	-82.3	-54.7	172.2	175.9	-67.2	0	0	0	111	G65 K66 R93 K94 S95 S96	G65-N71 PolarHBondContact N-O 3.47Å; K66-N71 PolarHBondContact N-O 2.79Å; N71-R93 WeakPolarHBondContact CA-O 3.24Å; N71-R93 WeakPolarHBondContact CB-O 3.25Å; N71-R93 PolarHBondContact N-O 3.15Å; N71-K94 VanDerWaalsContact CB-O 3.31Å; N71-K94 WeakPolarHBondContact CB-O 3.4Å; N71-K94 PolarHBondContact N-O 3.07Å; N71-S95 PolarHBondContact ND2-O 3.24Å; N71-S96 VanDerWaalsContact CG-CA 3.47Å; N71-S96 WeakPolarHBondContact OD1-CA 3.42Å
72	T	97.9	Very high	92.7	Very high	6 Å²	6	39.2 Å²	39.2	4%	0.037	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	138.4	-175.3	-60.5	0	0	0	0	109.7	S64 V70 R74 R93 I394	S64-T72 WeakPolarHBondContact OG-CA 3.25Å; S64-T72 WeakPolarHBondContact OG-CG2 3.32Å; V70-T72 WeakPolarHBondContact CG1-O 3.35Å; T72-R74 HydrophobicContact CG2-CG 3.72Å; T72-R93 PolarHBondContact N-O 2.97Å; T72-R93 WeakPolarHBondContact O-CB 3.15Å; T72-R93 PolarHBondContact O-N 3.01Å; T72-I394 HydrophobicContact CG2-CB 4.06Å; T72-I394 HydrophobicContact CG2-CD1 4.13Å; T72-I394 HydrophobicContact CG2-CG1 4.29Å
73	Y	98.2	Very high	92.5	Very high	21 Å²	21	45.3 Å²	45.3	8%	0.082	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	132.9	168.2	-66.8	-93.1	0	0	0	110.3	W62 S64 V70 E91 A106	W62-Y73 HydrophobicContact CB-CD1 4Å; W62-Y73 HydrophobicContact CB-CD2 3.71Å; W62-Y73 HydrophobicContact CB-CE1 4.47Å; W62-Y73 HydrophobicContact CB-CE2 4.21Å; W62-Y73 HydrophobicContact CB-CG 3.58Å; W62-Y73 AromaticContact CD1-CD1 3.68Å; W62-Y73 AromaticContact CD1-CE1 3.39Å; W62-Y73 AromaticContact CD1-CE2 3.99Å; W62-Y73 AromaticContact CD1-CZ 3.56Å; W62-Y73 HydrophobicContact CD2-CD1 4.17Å; W62-Y73 AromaticContact CG-CD1 3.7Å; W62-Y73 HydrophobicContact CG-CD1 3.7Å; W62-Y73 HydrophobicContact CG-CD2 4.19Å; W62-Y73 AromaticContact CG-CE1 3.92Å; W62-Y73 HydrophobicContact CG-CE1 3.92Å; W62-Y73 HydrophobicContact CG-CE2 4.39Å; W62-Y73 AromaticContact CG-CG 3.83Å; W62-Y73 HydrophobicContact CG-CG 3.83Å; W62-Y73 AromaticContact NE1-CE1 3.71Å; S64-Y73 PolarHBondContact OG-N 2.55Å; V70-Y73 HydrophobicContact CB-CE1 4.28Å; V70-Y73 HydrophobicContact CB-CE2 3.86Å; V70-Y73 HydrophobicContact CG1-CD1 4.08Å; V70-Y73 HydrophobicContact CG1-CD2 3.69Å; V70-Y73 HydrophobicContact CG1-CE1 3.88Å; V70-Y73 HydrophobicContact CG1-CE2 3.47Å; V70-Y73 VanDerWaalsContact CG1-CE2 3.47Å; V70-Y73 HydrophobicContact CG1-CG 4Å; V70-Y73 HydrophobicContact CG2-CE1 4.09Å; Y73-E91 VanDerWaalsContact CA-O 3.26Å; Y73-E91 WeakPolarHBondContact CA-O 3.46Å; Y73-A106 HydrophobicContact CD1-CB 4.3Å; Y73-A106 HydrophobicContact CE1-CB 3.94Å
74	R	98.2	Very high	92.4	Very high	14 Å²	14	43.8 Å²	43.8	5%	0.053	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	172.9	-178.1	-72.8	-145.4	66.4	-133.6	-10.7	112.8	T72 E91 D99 E387 I394	T72-R74 HydrophobicContact CG2-CG 3.72Å; R74-E91 PolarHBondContact N-O 2.95Å; R74-E91 PolarHBondContact O-N 2.73Å; R74-D99 IonicContact NH1-OD1 2.66Å; R74-E387 VanDerWaalsContact CA-OE1 3.26Å; R74-E387 WeakPolarHBondContact CA-OE1 3.26Å; R74-E387 WeakPolarHBondContact CB-OE1 3.29Å; R74-E387 IonicContact CZ-OE1 3.56Å; R74-E387 VanDerWaalsContact CZ-OE1 3.23Å; R74-E387 IonicContact CZ-OE2 3.37Å; R74-E387 IonicContact NE-OE1 3.05Å; R74-E387 PolarHBondContact NE-OE1 2.89Å; R74-E387 IonicContact NE-OE2 3.09Å; R74-E387 VanDerWaalsContact NH2-CD 3.28Å; R74-E387 IonicContact NH2-OE1 3.83Å; R74-E387 PolarHBondContact NH2-OE1 2.79Å; R74-E387 IonicContact NH2-OE2 2.64Å; R74-E387 PolarHBondContact NH2-OE2 3.31Å; R74-I394 HydrophobicContact CG-CG2 4.35Å
75	I	98.2	Very high	92.4	Very high	9 Å²	9	42.9 Å²	42.9	5%	0.046	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.8	62.5	171.5	-40	-56.1	0	0	0	112	L77 E91 L135 P196 Y365 E387	I75-L77 PolarHBondContact O-N 2.62Å; I75-E91 HydrophobicContact CB-CG 4.18Å; I75-E91 HydrophobicContact CG1-CG 4.06Å; I75-L135 HydrophobicContact CG2-CB 4.44Å; I75-L135 WeakPolarHBondContact O-CD2 3.41Å; I75-P196 HydrophobicContact CG2-CB 3.39Å; I75-P196 HydrophobicContact CG2-CG 3.83Å; I75-Y365 HydrophobicContact CD1-CD2 3.71Å; I75-Y365 HydrophobicContact CD1-CE2 3.58Å; I75-Y365 HydrophobicContact CD1-CG 4.29Å; I75-Y365 HydrophobicContact CG2-CD2 4.46Å; I75-E387 PolarHBondContact N-OE1 3.45Å
76	P	98.4	Very high	93	Very high	3 Å²	3	40 Å²	40	2%	0.019	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	125.4	-175.6	30.7	-34.5	0	0	0	112.1	I89 C367 I385 E387 I397	P76-I89 WeakPolarHBondContact CA-O 3.31Å; P76-C367 WeakPolarHBondContact O-CB 3.45Å; P76-I385 HydrophobicContact CB-CB 4.35Å; P76-I385 HydrophobicContact CB-CD1 3.85Å; P76-I385 HydrophobicContact CB-CG1 3.8Å; P76-I385 HydrophobicContact CB-CG2 3.86Å; P76-E387 VanDerWaalsContact CD-CG 3.47Å; P76-E387 HydrophobicContact CG-CG 3.84Å; P76-I397 HydrophobicContact CB-CD1 4.13Å; P76-I397 HydrophobicContact CB-CG1 4.45Å; P76-I397 HydrophobicContact CB-CG2 3.75Å; P76-I397 HydrophobicContact CG-CG2 4.46Å
77	L	98.4	Very high	94.6	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	149.5	167.9	-44.7	-178.3	0	0	0	109.5	I75 I89 L135 G136 V138 L149 P196 G197	I75-L77 PolarHBondContact O-N 2.62Å; L77-I89 HydrophobicContact CB-CB 4.26Å; L77-I89 PolarHBondContact N-O 3.03Å; L77-I89 PolarHBondContact O-N 3.12Å; L77-L135 HydrophobicContact CD1-CD1 3.88Å; L77-L135 HydrophobicContact CD1-CD2 4.18Å; L77-L135 HydrophobicContact CD1-CG 3.91Å; L77-L135 HydrophobicContact CG-CD2 4.12Å; L77-L135 HydrophobicContact CG-CG 4.28Å; L77-G136 WeakPolarHBondContact CD1-O 3.16Å; L77-V138 HydrophobicContact CD1-CG1 4.4Å; L77-L149 HydrophobicContact CD1-CD1 4.07Å; L77-P196 HydrophobicContact CD2-CB 4.16Å; L77-G197 VanDerWaalsContact CD2-N 3.27Å
78	I	98.2	Very high	96.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	140.1	167.1	-167.5	166.7	0	0	0	110.3	L87 W117 T369 F383 I385 F399	I78-L87 WeakPolarHBondContact CA-O 3.45Å; I78-W117 HydrophobicContact CD1-CH2 4.26Å; I78-T369 HydrophobicContact CB-CG2 4.43Å; I78-T369 HydrophobicContact CD1-CG2 4.43Å; I78-T369 HydrophobicContact CG1-CG2 3.92Å; I78-T369 HydrophobicContact CG2-CG2 3.96Å; I78-F383 HydrophobicContact CD1-CB 4.12Å; I78-I385 HydrophobicContact CB-CB 4.02Å; I78-I385 HydrophobicContact CB-CG2 3.59Å; I78-I385 HydrophobicContact CG2-CB 4.16Å; I78-I385 HydrophobicContact CG2-CG2 3.62Å; I78-F399 HydrophobicContact CD1-CD2 3.59Å; I78-F399 HydrophobicContact CD1-CE2 3.66Å
79	T	97.7	Very high	96.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	167.4	171.9	-169.3	0	0	0	0	111.4	L86 L87 V138 V140 V147 F198	T79-L86 WeakPolarHBondContact O-CA 3.37Å; T79-L87 HydrophobicContact CG2-CB 4.03Å; T79-L87 HydrophobicContact CG2-CD1 4.4Å; T79-L87 PolarHBondContact N-O 3.35Å; T79-L87 PolarHBondContact O-N 3.05Å; T79-V138 HydrophobicContact CG2-CG1 3.73Å; T79-V138 HydrophobicContact CG2-CG2 3.99Å; T79-V140 HydrophobicContact CG2-CG2 4.42Å; T79-V140 WeakPolarHBondContact OG1-CG2 3.44Å; T79-V147 HydrophobicContact CG2-CG1 4.32Å; T79-F198 HydrophobicContact CG2-CE2 4.44Å; T79-F198 WeakPolarHBondContact OG1-CE2 3.23Å; T79-F198 VanDerWaalsContact OG1-CZ 3.31Å; T79-F198 WeakPolarHBondContact OG1-CZ 3.33Å
80	F	96.3	Very high	97.3	Very high	11 Å²	11	15.5 Å²	15.5	5%	0.048	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	177.2	168.7	67.1	-77.7	0	0	0	111	S85 L86 V140 E142 F198 S370 L371 N372	F80-S85 CarbonylContact C-O 3.52Å; F80-S85 VanDerWaalsContact CA-O 3.26Å; F80-S85 WeakPolarHBondContact CA-O 3.33Å; F80-L86 HydrophobicContact CB-CD2 4.33Å; F80-V140 HydrophobicContact CE2-CG1 4.2Å; F80-V140 HydrophobicContact CZ-CB 4.39Å; F80-V140 HydrophobicContact CZ-CG1 4.31Å; F80-V140 WeakPolarHBondContact O-CG2 3.39Å; F80-E142 HydrophobicContact CE2-CG 4.17Å; F80-E142 HydrophobicContact CZ-CG 4.03Å; F80-E142 WeakPolarHBondContact CZ-OE2 3.47Å; F80-F198 HydrophobicContact CE1-CE1 4.3Å; F80-F198 HydrophobicContact CE1-CZ 4.23Å; F80-S370 WeakPolarHBondContact CD1-O 3.16Å; F80-L371 HydrophobicContact CB-CD2 3.71Å; F80-N372 HydrophobicContact CE2-CB 4.03Å; F80-N372 HydrophobicContact CZ-CB 4.21Å
81	T	96.4	Very high	97.4	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.012	9%	0.085	C	C	.	.			trans	-124.8	156.2	160	70.6	0	0	0	0	109.3	Q83 G84 S85 L87 V147 D173	T81-Q83 PolarHBondContact O-N 2.99Å; T81-Q83 PolarHBondContact OG1-N 3.11Å; T81-G84 PolarHBondContact O-N 2.78Å; T81-S85 PolarHBondContact N-O 3.11Å; T81-S85 WeakPolarHBondContact OG1-CB 3.48Å; T81-S85 PolarHBondContact OG1-N 3.02Å; T81-S85 VanDerWaalsContact OG1-N 3.09Å; T81-L87 HydrophobicContact CG2-CD1 3.74Å; T81-L87 HydrophobicContact CG2-CG 3.91Å; T81-V147 HydrophobicContact CG2-CG2 4.16Å; T81-D173 WeakPolarHBondContact CB-OD1 3.36Å; T81-D173 PolarHBondContact OG1-OD1 3.3Å
82	P	94.2	Very high	97.4	Very high	62 Å²	62	14 Å²	14	40%	0.403	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-3.3	176	-27.6	40.6	0	0	0	115.1	V140	P82-V140 HydrophobicContact CG-CG1 3.69Å
83	Q	93.8	Very high	97.4	Very high	135 Å²	135	13.9 Å²	13.9	63%	0.631	8%	0.076	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.7	4.8	171.8	-41	-179.4	19.9	0	0	112.9	T81 D173	T81-Q83 PolarHBondContact O-N 2.99Å; T81-Q83 PolarHBondContact OG1-N 3.11Å; Q83-D173 VanDerWaalsContact CB-OD1 3.24Å; Q83-D173 WeakPolarHBondContact CB-OD1 3.29Å; Q83-D173 HydrophobicContact CG-CB 4.49Å; Q83-D173 VanDerWaalsContact CG-OD1 3.24Å; Q83-D173 WeakPolarHBondContact CG-OD1 2.86Å
84	G	93.9	Very high	97.3	Very high	25 Å²	25	14.8 Å²	14.8	26%	0.258	8%	0.081	S	C	.	.	S	Bend	trans	90.2	7.9	175.9	0	0	0	0	0	115.8	T81	T81-G84 PolarHBondContact O-N 2.78Å
85	S	96.9	Very high	97.2	Very high	4 Å²	4	18 Å²	18	3%	0.028	11%	0.105	C	C	.	.			trans	-78.8	159.3	173.3	-65.6	0	0	0	0	111.7	F80 T81 R109 S110 D173	F80-S85 CarbonylContact C-O 3.52Å; F80-S85 VanDerWaalsContact CA-O 3.26Å; F80-S85 WeakPolarHBondContact CA-O 3.33Å; T81-S85 PolarHBondContact N-O 3.11Å; T81-S85 WeakPolarHBondContact OG1-CB 3.48Å; T81-S85 PolarHBondContact OG1-N 3.02Å; T81-S85 VanDerWaalsContact OG1-N 3.09Å; S85-R109 PolarHBondContact OG-NH2 3.01Å; S85-S110 CarbonylContact C-O 3.42Å; S85-S110 WeakPolarHBondContact CA-O 3.38Å; S85-S110 VanDerWaalsContact CB-O 3.24Å; S85-S110 WeakPolarHBondContact CB-O 3.49Å; S85-D173 VanDerWaalsContact CB-OD2 3.24Å; S85-D173 WeakPolarHBondContact CB-OD2 3.46Å; S85-D173 PolarHBondContact OG-OD2 2.89Å
86	L	98.3	Very high	97	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	137.3	165.9	-62.4	177.8	0	0	0	110.1	T79 F80 R109 S110 W117 T369 L371 F383 F399	T79-L86 WeakPolarHBondContact O-CA 3.37Å; F80-L86 HydrophobicContact CB-CD2 4.33Å; L86-R109 CarbonylContact O-C 3.37Å; L86-R109 WeakPolarHBondContact O-CA 3.26Å; L86-S110 PolarHBondContact N-O 2.78Å; L86-S110 PolarHBondContact O-N 2.81Å; L86-W117 HydrophobicContact CB-CH2 3.79Å; L86-W117 HydrophobicContact CB-CZ3 4.28Å; L86-W117 HydrophobicContact CD1-CH2 4.48Å; L86-T369 HydrophobicContact CD2-CG2 4.12Å; L86-L371 HydrophobicContact CD2-CD2 3.83Å; L86-L371 HydrophobicContact CD2-CG 4.33Å; L86-F383 HydrophobicContact CD1-CB 4.47Å; L86-F383 HydrophobicContact CD1-CD1 3.72Å; L86-F383 HydrophobicContact CD1-CD2 4.03Å; L86-F383 HydrophobicContact CD1-CE1 3.88Å; L86-F383 HydrophobicContact CD1-CE2 4.21Å; L86-F383 HydrophobicContact CD1-CG 3.79Å; L86-F383 HydrophobicContact CD1-CZ 4.13Å; L86-F383 HydrophobicContact CD2-CD2 3.97Å; L86-F383 HydrophobicContact CD2-CE2 4.28Å; L86-F383 HydrophobicContact CD2-CG 4.4Å; L86-F399 HydrophobicContact CD1-CE2 4.07Å; L86-F399 HydrophobicContact CD1-CZ 4.15Å
87	L	98.6	Very high	96.9	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	111	175.1	-60.8	176.1	0	0	0	109.2	I78 T79 T81 V107 R109 V147 W177	I78-L87 WeakPolarHBondContact CA-O 3.45Å; T79-L87 HydrophobicContact CG2-CB 4.03Å; T79-L87 HydrophobicContact CG2-CD1 4.4Å; T79-L87 PolarHBondContact N-O 3.35Å; T79-L87 PolarHBondContact O-N 3.05Å; T81-L87 HydrophobicContact CG2-CD1 3.74Å; T81-L87 HydrophobicContact CG2-CG 3.91Å; L87-V107 HydrophobicContact CD2-CG2 4.49Å; L87-R109 HydrophobicContact CD2-CB 3.74Å; L87-R109 HydrophobicContact CD2-CG 3.68Å; L87-V147 HydrophobicContact CD1-CB 4.5Å; L87-V147 HydrophobicContact CD1-CG1 4.03Å; L87-V147 HydrophobicContact CD1-CG2 4.2Å; L87-W177 HydrophobicContact CD1-CZ2 4.29Å
88	A	98.7	Very high	96.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	129.6	167.5	0	0	0	0	0	108.4	L61 W62 V107 R108 W117 I385	L61-A88 HydrophobicContact CD1-CB 3.51Å; W62-A88 HydrophobicContact CH2-CB 4.01Å; W62-A88 WeakPolarHBondContact CH2-O 3.45Å; W62-A88 HydrophobicContact CZ3-CB 4.18Å; A88-V107 CarbonylContact O-C 3.33Å; A88-V107 VanDerWaalsContact O-CA 3.29Å; A88-V107 WeakPolarHBondContact O-CA 3.34Å; A88-V107 WeakPolarHBondContact O-CG2 3.39Å; A88-R108 PolarHBondContact N-O 3.14Å; A88-R108 PolarHBondContact O-N 2.75Å; A88-W117 HydrophobicContact CB-CE3 4.26Å; A88-W117 HydrophobicContact CB-CH2 3.96Å; A88-W117 HydrophobicContact CB-CZ3 3.61Å; A88-I385 HydrophobicContact CB-CD1 3.72Å
89	I	98.8	Very high	96.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.4	-177.6	-52.7	174.9	0	0	0	109	P76 L77 I105 A106 V107 I123 L135 V138 L149	P76-I89 WeakPolarHBondContact CA-O 3.31Å; L77-I89 HydrophobicContact CB-CB 4.26Å; L77-I89 PolarHBondContact N-O 3.03Å; L77-I89 PolarHBondContact O-N 3.12Å; I89-I105 HydrophobicContact CG2-CG2 3.54Å; I89-A106 CarbonylContact C-O 3.56Å; I89-A106 VanDerWaalsContact CA-O 3.28Å; I89-A106 WeakPolarHBondContact CA-O 3.43Å; I89-A106 WeakPolarHBondContact CG2-O 3.37Å; I89-V107 HydrophobicContact CG1-CG2 4.08Å; I89-I123 HydrophobicContact CD1-CD1 4.2Å; I89-I123 HydrophobicContact CG1-CD1 4.44Å; I89-I123 HydrophobicContact CG2-CD1 4.38Å; I89-L135 HydrophobicContact CG2-CD1 4.05Å; I89-L135 HydrophobicContact CG2-CD2 3.98Å; I89-V138 HydrophobicContact CD1-CB 4.38Å; I89-V138 HydrophobicContact CD1-CG1 4.49Å; I89-V138 HydrophobicContact CD1-CG2 4.3Å; I89-L149 HydrophobicContact CD1-CD1 4.45Å; I89-L149 HydrophobicContact CG2-CD2 4.34Å
90	A	98.5	Very high	96.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	158.9	178.3	0	0	0	0	0	112.3	W62 G92 A106 L135 I397	W62-A90 HydrophobicContact CE3-CB 3.95Å; W62-A90 HydrophobicContact CH2-CB 3.98Å; W62-A90 HydrophobicContact CZ3-CB 3.65Å; A90-G92 PolarHBondContact O-N 3.08Å; A90-A106 PolarHBondContact N-O 3.14Å; A90-A106 PolarHBondContact O-N 3.5Å; A90-L135 VanDerWaalsContact C-CD2 3.43Å; A90-I397 HydrophobicContact CB-CD1 3.6Å
91	E	98.3	Very high	96.7	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	122.5	163.9	-70	-171.6	163.9	0	0	110.2	Y73 R74 I75 R93 K103 N134 L135	Y73-E91 VanDerWaalsContact CA-O 3.26Å; Y73-E91 WeakPolarHBondContact CA-O 3.46Å; R74-E91 PolarHBondContact N-O 2.95Å; R74-E91 PolarHBondContact O-N 2.73Å; I75-E91 HydrophobicContact CB-CG 4.18Å; I75-E91 HydrophobicContact CG1-CG 4.06Å; E91-R93 HydrophobicContact CB-CG 4.18Å; E91-R93 PolarHBondContact O-N 2.87Å; E91-R93 IonicContact OE2-CZ 2.7Å; E91-R93 IonicContact OE2-NE 3.96Å; E91-R93 PolarHBondContact OE2-NE 2.9Å; E91-R93 IonicContact OE2-NH2 3.16Å; E91-R93 PolarHBondContact OE2-NH2 2.79Å; E91-K103 HydrophobicContact CB-CD 4.22Å; E91-K103 VanDerWaalsContact CD-CD 3.45Å; E91-K103 HydrophobicContact CG-CD 4.07Å; E91-K103 WeakPolarHBondContact OE2-CD 3.42Å; E91-K103 WeakPolarHBondContact OE2-CE 3.49Å; E91-N134 WeakPolarHBondContact OE1-CA 3.32Å; E91-L135 HydrophobicContact CG-CB 3.38Å; E91-L135 HydrophobicContact CG-CD2 4.24Å; E91-L135 HydrophobicContact CG-CG 4.47Å; E91-L135 PolarHBondContact OE1-N 2.97Å
92	G	97.8	Very high	96.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	83.8	164.6	0	0	0	0	0	110.5	A90 K94 K103 F104	A90-G92 PolarHBondContact O-N 3.08Å; G92-K94 PolarHBondContact O-N 2.66Å; G92-K103 CarbonylContact O-C 3.43Å; G92-K103 WeakPolarHBondContact O-CA 3.29Å; G92-F104 PolarHBondContact N-O 2.92Å; G92-F104 PolarHBondContact O-N 2.8Å
93	R	97.9	Very high	96.9	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.015	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	118.7	-178.1	-58.7	-179.1	172.4	-158.9	-10.5	109.9	N71 T72 E91 S96 S97 S98 D99 K103	N71-R93 WeakPolarHBondContact CA-O 3.24Å; N71-R93 WeakPolarHBondContact CB-O 3.25Å; N71-R93 PolarHBondContact N-O 3.15Å; T72-R93 PolarHBondContact N-O 2.97Å; T72-R93 WeakPolarHBondContact O-CB 3.15Å; T72-R93 PolarHBondContact O-N 3.01Å; E91-R93 HydrophobicContact CB-CG 4.18Å; E91-R93 PolarHBondContact O-N 2.87Å; E91-R93 IonicContact OE2-CZ 2.7Å; E91-R93 IonicContact OE2-NE 3.96Å; E91-R93 PolarHBondContact OE2-NE 2.9Å; E91-R93 IonicContact OE2-NH2 3.16Å; E91-R93 PolarHBondContact OE2-NH2 2.79Å; R93-S96 WeakPolarHBondContact CB-O 3.24Å; R93-S97 PolarHBondContact NH1-O 3.2Å; R93-S98 WeakPolarHBondContact CD-O 3.35Å; R93-S98 VanDerWaalsContact NH1-C 3.33Å; R93-S98 PolarHBondContact NH1-O 3.43Å; R93-D99 IonicContact CZ-OD1 2.73Å; R93-D99 IonicContact NH1-OD1 3.67Å; R93-D99 PolarHBondContact NH1-OD1 3Å; R93-D99 IonicContact NH2-OD1 2.7Å; R93-D99 PolarHBondContact NH2-OD1 2.9Å; R93-K103 HydrophobicContact CG-CD 3.98Å; R93-K103 HydrophobicContact CG-CG 4.33Å
94	K	96.8	Very high	97.1	Very high	40 Å²	40	22.2 Å²	22.2	17%	0.174	15%	0.145	C	C	.	.	S	Bend	trans	-75.2	-44.7	-164.4	-66.7	168.3	-179.1	159.1	0	114.1	N71 G92 A102 K103 F104 D125 D126 G127	N71-K94 VanDerWaalsContact CB-O 3.31Å; N71-K94 WeakPolarHBondContact CB-O 3.4Å; N71-K94 PolarHBondContact N-O 3.07Å; G92-K94 PolarHBondContact O-N 2.66Å; K94-A102 VanDerWaalsContact CB-O 3.31Å; K94-A102 WeakPolarHBondContact CB-O 3.3Å; K94-A102 HydrophobicContact CD-CB 3.84Å; K94-A102 WeakPolarHBondContact CG-O 3.18Å; K94-A102 PolarHBondContact N-O 3.19Å; K94-A102 VanDerWaalsContact N-O 3.08Å; K94-K103 VanDerWaalsContact CE-C 3.48Å; K94-K103 WeakPolarHBondContact CE-O 3.14Å; K94-K103 PolarHBondContact NZ-O 3.33Å; K94-F104 HydrophobicContact CD-CD2 4.35Å; K94-F104 HydrophobicContact CD-CE2 3.99Å; K94-F104 HydrophobicContact CD-CZ 4.31Å; K94-F104 VanDerWaalsContact CE-CE2 3.4Å; K94-F104 VanDerWaalsContact CE-CZ 3.45Å; K94-F104 HydrophobicContact CG-CD2 3.84Å; K94-F104 HydrophobicContact CG-CE2 3.6Å; K94-F104 HydrophobicContact CG-CZ 4.4Å; K94-D125 WeakPolarHBondContact CE-OD1 3.44Å; K94-D125 IonicContact NZ-OD1 2.72Å; K94-D125 PolarHBondContact NZ-OD1 2.96Å; K94-D126 IonicContact NZ-OD1 2.87Å; K94-D126 PolarHBondContact NZ-OD1 3.43Å; K94-G127 PolarHBondContact NZ-O 2.94Å
95	S	94.4	Very high	97.3	Very high	80 Å²	80	21 Å²	21	56%	0.559	13%	0.133	S	C	*	.	S	Bend	trans	-98.1	-38.6	-169.2	59.8	0	0	0	0	114.1	N71	N71-S95 PolarHBondContact ND2-O 3.24Å
96	S	95.3	Very high	97.4	Very high	42 Å²	42	20.8 Å²	20.8	29%	0.294	13%	0.131	S	C	.	.	S	Bend	trans	-157.3	-176	-171.1	68.2	0	0	0	0	110.7	N71 R93 S98	N71-S96 VanDerWaalsContact CG-CA 3.47Å; N71-S96 WeakPolarHBondContact OD1-CA 3.42Å; R93-S96 WeakPolarHBondContact CB-O 3.24Å; S96-S98 VanDerWaalsContact C-N 3.3Å; S96-S98 VanDerWaalsContact OG-CB 3.27Å; S96-S98 WeakPolarHBondContact OG-CB 3.4Å; S96-S98 PolarHBondContact OG-N 3.35Å
97	S	95.8	Very high	97.4	Very high	56 Å²	56	21.2 Å²	21.2	39%	0.392	13%	0.134	S	C	.	.	S	Bend	trans	-81.6	0.1	171.5	53.2	0	0	0	0	114.8	R93	R93-S97 PolarHBondContact NH1-O 3.2Å
98	S	96.6	Very high	97.4	Very high	51 Å²	51	23.9 Å²	23.9	36%	0.357	14%	0.144	S	C	.	.			trans	-62.3	145.2	-176.9	175.2	0	0	0	0	113.8	R93 S96 I100	R93-S98 WeakPolarHBondContact CD-O 3.35Å; R93-S98 VanDerWaalsContact NH1-C 3.33Å; R93-S98 PolarHBondContact NH1-O 3.43Å; S96-S98 VanDerWaalsContact C-N 3.3Å; S96-S98 VanDerWaalsContact OG-CB 3.27Å; S96-S98 WeakPolarHBondContact OG-CB 3.4Å; S96-S98 PolarHBondContact OG-N 3.35Å; S98-I100 VanDerWaalsContact C-N 3.32Å; S98-I100 VanDerWaalsContact CB-O 3.23Å; S98-I100 WeakPolarHBondContact CB-O 3.5Å; S98-I100 PolarHBondContact OG-N 2.9Å; S98-I100 VanDerWaalsContact OG-N 3.12Å; S98-I100 PolarHBondContact OG-O 3.3Å
99	D	95.4	Very high	97.4	Very high	71 Å²	71	26.5 Å²	26.5	38%	0.38	15%	0.154	S	C	.	.	S	Bend	trans	-70.7	-29	171	-55.1	-62.9	0	0	0	111.9	R74 R93 K103 H156	R74-D99 IonicContact NH1-OD1 2.66Å; R93-D99 IonicContact CZ-OD1 2.73Å; R93-D99 IonicContact NH1-OD1 3.67Å; R93-D99 PolarHBondContact NH1-OD1 3Å; R93-D99 IonicContact NH2-OD1 2.7Å; R93-D99 PolarHBondContact NH2-OD1 2.9Å; D99-K103 VanDerWaalsContact O-CE 3.26Å; D99-K103 WeakPolarHBondContact O-CE 3.45Å; D99-K103 PolarHBondContact O-NZ 3.19Å; D99-H156 PolarHBondContact O-CE1 2.59Å
100	I	96.4	Very high	97.4	Very high	59 Å²	59	26.6 Å²	26.6	30%	0.303	16%	0.155	S	C	.	.	S	Bend	trans	-87.6	129.2	168.6	-70.2	171.5	0	0	0	109.5	S98 P130 H156 Y158	S98-I100 VanDerWaalsContact C-N 3.32Å; S98-I100 VanDerWaalsContact CB-O 3.23Å; S98-I100 WeakPolarHBondContact CB-O 3.5Å; S98-I100 PolarHBondContact OG-N 2.9Å; S98-I100 VanDerWaalsContact OG-N 3.12Å; S98-I100 PolarHBondContact OG-O 3.3Å; I100-P130 WeakPolarHBondContact CG2-O 3.21Å; I100-H156 HydrophobicContact CD1-CB 3.87Å; I100-H156 HydrophobicContact CG1-CB 3.76Å; I100-H156 VanDerWaalsContact CG1-CG 3.48Å; I100-Y158 HydrophobicContact CD1-CG 4.34Å; I100-Y158 HydrophobicContact CG2-CD1 3.54Å; I100-Y158 HydrophobicContact CG2-CE1 4.13Å; I100-Y158 HydrophobicContact CG2-CG 3.92Å
101	G	97	Very high	97.3	Very high	13 Å²	13	30.9 Å²	30.9	13%	0.134	18%	0.181	C	C	.	.	S	Bend	trans	134.7	157.1	174.8	0	0	0	0	0	112.6	K103 P130 D131	G101-K103 WeakPolarHBondContact O-CG 3.19Å; G101-K103 PolarHBondContact O-NZ 2.64Å; G101-P130 VanDerWaalsContact CA-O 3.32Å; G101-P130 WeakPolarHBondContact CA-O 3.45Å; G101-P130 PolarHBondContact N-O 2.9Å; G101-D131 CarbonylContact C-O 3.23Å; G101-D131 PolarHBondContact N-O 2.85Å
102	A	97.3	Very high	97.2	Very high	15 Å²	15	32.9 Å²	32.9	12%	0.124	19%	0.192	C	C	.	.			trans	-55.4	136.3	178.7	0	0	0	0	0	113.5	K94 D126 F129	K94-A102 VanDerWaalsContact CB-O 3.31Å; K94-A102 WeakPolarHBondContact CB-O 3.3Å; K94-A102 HydrophobicContact CD-CB 3.84Å; K94-A102 WeakPolarHBondContact CG-O 3.18Å; K94-A102 PolarHBondContact N-O 3.19Å; K94-A102 VanDerWaalsContact N-O 3.08Å; A102-D126 VanDerWaalsContact CA-OD1 3.27Å; A102-D126 WeakPolarHBondContact CA-OD1 3.24Å; A102-D126 WeakPolarHBondContact CA-OD2 3.4Å; A102-D126 VanDerWaalsContact CB-OD1 3.27Å; A102-D126 WeakPolarHBondContact CB-OD1 3.03Å; A102-F129 PolarHBondContact N-O 3.3Å
103	K	97.8	Very high	97	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	160	-176	-38	-173.8	-177.8	56.9	0	111.8	E91 G92 R93 K94 D99 G101 D126 D131 L133	E91-K103 HydrophobicContact CB-CD 4.22Å; E91-K103 VanDerWaalsContact CD-CD 3.45Å; E91-K103 HydrophobicContact CG-CD 4.07Å; E91-K103 WeakPolarHBondContact OE2-CD 3.42Å; E91-K103 WeakPolarHBondContact OE2-CE 3.49Å; G92-K103 CarbonylContact O-C 3.43Å; G92-K103 WeakPolarHBondContact O-CA 3.29Å; R93-K103 HydrophobicContact CG-CD 3.98Å; R93-K103 HydrophobicContact CG-CG 4.33Å; K94-K103 VanDerWaalsContact CE-C 3.48Å; K94-K103 WeakPolarHBondContact CE-O 3.14Å; K94-K103 PolarHBondContact NZ-O 3.33Å; D99-K103 VanDerWaalsContact O-CE 3.26Å; D99-K103 WeakPolarHBondContact O-CE 3.45Å; D99-K103 PolarHBondContact O-NZ 3.19Å; G101-K103 WeakPolarHBondContact O-CG 3.19Å; G101-K103 PolarHBondContact O-NZ 2.64Å; K103-D126 PolarHBondContact N-OD1 3.03Å; K103-D126 PolarHBondContact N-OD2 2.9Å; K103-D126 PolarHBondContact O-N 2.94Å; K103-D131 PolarHBondContact NZ-O 2.84Å; K103-L133 HydrophobicContact CB-CD1 3.98Å; K103-L133 HydrophobicContact CB-CG 4.13Å; K103-L133 HydrophobicContact CD-CD1 4.29Å; K103-L133 WeakPolarHBondContact CD-O 3.24Å; K103-L133 VanDerWaalsContact CE-O 3.28Å; K103-L133 WeakPolarHBondContact CE-O 3.18Å; K103-L133 PolarHBondContact NZ-O 3.18Å
104	F	98.1	Very high	96.9	Very high	5 Å²	5	36.2 Å²	36.2	2%	0.022	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	158	156	-57.1	-83.6	0	0	0	109.7	Q69 V70 G92 K94 F122 V124 D125	Q69-F104 HydrophobicContact CB-CE2 3.84Å; Q69-F104 HydrophobicContact CB-CZ 4.05Å; V70-F104 HydrophobicContact CG2-CD2 3.81Å; V70-F104 HydrophobicContact CG2-CE2 4.19Å; G92-F104 PolarHBondContact N-O 2.92Å; G92-F104 PolarHBondContact O-N 2.8Å; K94-F104 HydrophobicContact CD-CD2 4.35Å; K94-F104 HydrophobicContact CD-CE2 3.99Å; K94-F104 HydrophobicContact CD-CZ 4.31Å; K94-F104 VanDerWaalsContact CE-CE2 3.4Å; K94-F104 VanDerWaalsContact CE-CZ 3.45Å; K94-F104 HydrophobicContact CG-CD2 3.84Å; K94-F104 HydrophobicContact CG-CE2 3.6Å; K94-F104 HydrophobicContact CG-CZ 4.4Å; F104-F122 HydrophobicContact CB-CB 4.37Å; F104-F122 HydrophobicContact CB-CD1 3.37Å; F104-F122 HydrophobicContact CB-CE1 3.79Å; F104-F122 HydrophobicContact CB-CG 3.98Å; F104-F122 HydrophobicContact CD1-CB 4.09Å; F104-F122 AromaticContact CD1-CD1 3.96Å; F104-F122 HydrophobicContact CD1-CD1 3.96Å; F104-F122 AromaticContact CD1-CD2 3.96Å; F104-F122 HydrophobicContact CD1-CD2 3.96Å; F104-F122 HydrophobicContact CD1-CE1 4.4Å; F104-F122 HydrophobicContact CD1-CE2 4.39Å; F104-F122 AromaticContact CD1-CG 3.74Å; F104-F122 HydrophobicContact CD1-CG 3.74Å; F104-F122 HydrophobicContact CD2-CD1 4.28Å; F104-F122 AromaticContact CD2-CE1 3.98Å; F104-F122 HydrophobicContact CD2-CE1 3.98Å; F104-F122 HydrophobicContact CD2-CZ 4.16Å; F104-F122 HydrophobicContact CE1-CD2 4.19Å; F104-F122 HydrophobicContact CE1-CE2 4.42Å; F104-F122 HydrophobicContact CE1-CG 4.42Å; F104-F122 HydrophobicContact CE2-CZ 4.42Å; F104-F122 AromaticContact CG-CD1 3.63Å; F104-F122 HydrophobicContact CG-CD1 3.63Å; F104-F122 HydrophobicContact CG-CD2 4.33Å; F104-F122 AromaticContact CG-CE1 3.81Å; F104-F122 HydrophobicContact CG-CE1 3.81Å; F104-F122 HydrophobicContact CG-CE2 4.48Å; F104-F122 AromaticContact CG-CG 3.92Å; F104-F122 HydrophobicContact CG-CG 3.92Å; F104-F122 HydrophobicContact CG-CZ 4.24Å; F104-V124 CarbonylContact C-O 3.58Å; F104-V124 VanDerWaalsContact CA-O 3.28Å; F104-V124 WeakPolarHBondContact CA-O 3.34Å; F104-D125 HydrophobicContact CD1-CB 3.8Å; F104-D125 HydrophobicContact CE1-CB 3.87Å; F104-D125 WeakPolarHBondContact CE1-OD1 3.16Å
105	I	98.6	Very high	96.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	107.3	151.7	-64.1	178.4	0	0	0	106.4	I89 F122 I123 V124 L133 L135 L149 Y151	I89-I105 HydrophobicContact CG2-CG2 3.54Å; I105-F122 CarbonylContact O-C 3.44Å; I105-F122 VanDerWaalsContact O-CA 3.27Å; I105-F122 WeakPolarHBondContact O-CA 3.18Å; I105-I123 HydrophobicContact CB-CB 4.25Å; I105-I123 HydrophobicContact CG2-CB 3.95Å; I105-I123 HydrophobicContact CG2-CD1 3.97Å; I105-I123 HydrophobicContact CG2-CG1 4.19Å; I105-I123 PolarHBondContact O-N 3.05Å; I105-V124 HydrophobicContact CB-CB 4.18Å; I105-V124 HydrophobicContact CD1-CB 4.01Å; I105-V124 HydrophobicContact CD1-CG2 3.91Å; I105-V124 HydrophobicContact CG1-CB 4.13Å; I105-V124 PolarHBondContact N-O 2.78Å; I105-L133 HydrophobicContact CD1-CD1 4.22Å; I105-L133 HydrophobicContact CD1-CD2 4.12Å; I105-L133 HydrophobicContact CG1-CD1 3.69Å; I105-L133 HydrophobicContact CG1-CD2 3.77Å; I105-L133 HydrophobicContact CG1-CG 4.43Å; I105-L135 HydrophobicContact CD1-CD1 4.12Å; I105-L135 HydrophobicContact CG1-CD1 4.28Å; I105-L135 HydrophobicContact CG2-CD1 4.12Å; I105-L149 HydrophobicContact CD1-CD2 3.92Å; I105-L149 HydrophobicContact CG2-CD2 3.65Å; I105-Y151 HydrophobicContact CD1-CD1 4.08Å; I105-Y151 HydrophobicContact CD1-CD2 4.12Å; I105-Y151 HydrophobicContact CD1-CG 3.83Å
106	A	98.3	Very high	97.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	145.1	177.9	0	0	0	0	0	110.9	W62 Y73 I89 A90 T120 A121 F122	W62-A106 HydrophobicContact CZ2-CB 4.22Å; Y73-A106 HydrophobicContact CD1-CB 4.3Å; Y73-A106 HydrophobicContact CE1-CB 3.94Å; I89-A106 CarbonylContact C-O 3.56Å; I89-A106 VanDerWaalsContact CA-O 3.28Å; I89-A106 WeakPolarHBondContact CA-O 3.43Å; I89-A106 WeakPolarHBondContact CG2-O 3.37Å; A90-A106 PolarHBondContact N-O 3.14Å; A90-A106 PolarHBondContact O-N 3.5Å; A106-T120 HydrophobicContact CB-CG2 3.91Å; A106-A121 CarbonylContact C-O 3.54Å; A106-A121 WeakPolarHBondContact CA-O 3.04Å; A106-F122 HydrophobicContact CB-CD1 3.97Å; A106-F122 HydrophobicContact CB-CE1 3.98Å
107	V	98.6	Very high	97.2	Very high	9 Å²	9	38 Å²	38	6%	0.055	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	147.1	177.1	64.1	0	0	0	0	111.5	L87 A88 I89 T120 A121 I123	L87-V107 HydrophobicContact CD2-CG2 4.49Å; A88-V107 CarbonylContact O-C 3.33Å; A88-V107 VanDerWaalsContact O-CA 3.29Å; A88-V107 WeakPolarHBondContact O-CA 3.34Å; A88-V107 WeakPolarHBondContact O-CG2 3.39Å; I89-V107 HydrophobicContact CG1-CG2 4.08Å; V107-T120 WeakPolarHBondContact O-CA 3.49Å; V107-A121 HydrophobicContact CG1-CB 3.91Å; V107-A121 PolarHBondContact N-O 2.95Å; V107-A121 PolarHBondContact O-N 2.88Å; V107-I123 HydrophobicContact CB-CD1 3.84Å; V107-I123 HydrophobicContact CB-CG1 3.84Å; V107-I123 HydrophobicContact CG1-CD1 4.16Å; V107-I123 HydrophobicContact CG1-CG1 3.64Å; V107-I123 HydrophobicContact CG2-CD1 4.21Å
108	R	98.7	Very high	97.4	Very high	56 Å²	56	37.3 Å²	37.3	21%	0.211	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143.1	161.5	-73.2	-174.7	173.6	-166.2	3.9	109.4	L61 W62 A88 W117 S118 T120	L61-R108 PolarHBondContact O-NE 3.47Å; L61-R108 PolarHBondContact O-NH1 2.91Å; L61-R108 PolarHBondContact O-NH2 3.1Å; W62-R108 HydrophobicContact CZ2-CB 4.26Å; W62-R108 HydrophobicContact CZ2-CG 3.79Å; A88-R108 PolarHBondContact N-O 3.14Å; A88-R108 PolarHBondContact O-N 2.75Å; R108-W117 HydrophobicContact CB-CB 4.49Å; R108-W117 HydrophobicContact CB-CE3 3.87Å; R108-S118 WeakPolarHBondContact CA-OG 3.23Å; R108-S118 WeakPolarHBondContact CG-O 3.44Å; R108-T120 PolarHBondContact NE-OG1 2.8Å
109	R	98.6	Very high	97.4	Very high	55 Å²	55	40.2 Å²	40.2	21%	0.208	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	136.9	-179.8	179.4	171.5	169.1	-85.3	3.3	110.5	S85 L86 L87 T111 S118 D173	S85-R109 PolarHBondContact OG-NH2 3.01Å; L86-R109 CarbonylContact O-C 3.37Å; L86-R109 WeakPolarHBondContact O-CA 3.26Å; L87-R109 HydrophobicContact CD2-CB 3.74Å; L87-R109 HydrophobicContact CD2-CG 3.68Å; R109-T111 VanDerWaalsContact CZ-CG2 3.43Å; R109-S118 PolarHBondContact N-OG 2.73Å; R109-S118 PolarHBondContact O-N 2.84Å; R109-D173 VanDerWaalsContact CD-O 3.23Å; R109-D173 WeakPolarHBondContact CD-O 3.44Å; R109-D173 IonicContact CZ-OD2 3.71Å; R109-D173 PolarHBondContact NE-O 2.89Å; R109-D173 IonicContact NE-OD2 2.8Å; R109-D173 PolarHBondContact NE-OD2 2.78Å; R109-D173 IonicContact NH2-OD2 3.71Å; R109-D173 PolarHBondContact NH2-OD2 3.02Å
110	S	98.5	Very high	97.5	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.014	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	135.2	169.4	168	0	0	0	0	109.1	S85 L86 D112 G114 T116	S85-S110 CarbonylContact C-O 3.42Å; S85-S110 WeakPolarHBondContact CA-O 3.38Å; S85-S110 VanDerWaalsContact CB-O 3.24Å; S85-S110 WeakPolarHBondContact CB-O 3.49Å; L86-S110 PolarHBondContact N-O 2.78Å; L86-S110 PolarHBondContact O-N 2.81Å; S110-D112 PolarHBondContact OG-N 3.24Å; S110-D112 PolarHBondContact OG-OD1 2.69Å; S110-G114 VanDerWaalsContact OG-CA 3.28Å; S110-G114 WeakPolarHBondContact OG-CA 3.28Å; S110-G114 PolarHBondContact OG-N 2.94Å; S110-T116 WeakPolarHBondContact CA-O 3.35Å; S110-T116 WeakPolarHBondContact CB-O 3.43Å; S110-T116 PolarHBondContact OG-O 2.86Å
111	T	97.4	Very high	97.5	Very high	90 Å²	90	38.4 Å²	38.4	55%	0.552	22%	0.221	S	C	*	.	S	Bend	trans	-106.1	7.5	173.3	55.2	0	0	0	0	112.5	R109	R109-T111 VanDerWaalsContact CZ-CG2 3.43Å
112	D	95.8	Very high	97.6	Very high	43 Å²	43	42 Å²	42	23%	0.23	23%	0.233	C	C	.	.	S	Bend	trans	-134.9	37.5	-170.7	63.1	-1.1	0	0	0	110.9	S110 G114 N115 T116	S110-D112 PolarHBondContact OG-N 3.24Å; S110-D112 PolarHBondContact OG-OD1 2.69Å; D112-G114 VanDerWaalsContact C-N 3.25Å; D112-G114 PolarHBondContact O-N 2.94Å; D112-N115 HydrophobicContact CB-CB 4.35Å; D112-N115 WeakPolarHBondContact O-CB 3.4Å; D112-N115 PolarHBondContact O-N 2.99Å; D112-N115 VanDerWaalsContact O-N 3.17Å; D112-N115 PolarHBondContact O-ND2 3.44Å; D112-N115 PolarHBondContact O-OD1 2.8Å; D112-N115 PolarHBondContact OD1-N 3.25Å; D112-T116 VanDerWaalsContact CG-N 3.31Å; D112-T116 PolarHBondContact OD1-N 3.45Å; D112-T116 WeakPolarHBondContact OD2-CB 3.36Å; D112-T116 WeakPolarHBondContact OD2-CG2 3.29Å; D112-T116 PolarHBondContact OD2-N 2.92Å; D112-T116 VanDerWaalsContact OD2-N 3.1Å; D112-T116 PolarHBondContact OD2-OG1 3.14Å
113	K	94.3	Very high	97.6	Very high	73 Å²	73	42.5 Å²	42.5	32%	0.317	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	35.9	170	-48.3	-177.7	168.5	-168.2	0	112.4	L371 D378 F383 K401	K113-L371 HydrophobicContact CB-CD1 4.43Å; K113-L371 HydrophobicContact CD-CD1 4.13Å; K113-L371 HydrophobicContact CG-CD1 3.86Å; K113-D378 WeakPolarHBondContact CD-OD1 3.35Å; K113-D378 WeakPolarHBondContact CE-OD1 3.23Å; K113-D378 IonicContact NZ-OD1 3.71Å; K113-D378 PolarHBondContact NZ-OD1 2.76Å; K113-D378 IonicContact NZ-OD2 3.51Å; K113-D378 PolarHBondContact NZ-OD2 3.49Å; K113-F383 HydrophobicContact CB-CZ 4.5Å; K113-F383 WeakPolarHBondContact O-CE1 3.1Å; K113-K401 WeakPolarHBondContact O-CE 3.45Å; K113-K401 PolarHBondContact O-NZ 2.73Å
114	G	96	Very high	97.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	5	178.9	0	0	0	0	0	115.8	Q59 S110 D112 W117 F399	Q59-G114 PolarHBondContact NE2-O 2.87Å; Q59-G114 PolarHBondContact OE1-O 2.72Å; S110-G114 VanDerWaalsContact OG-CA 3.28Å; S110-G114 WeakPolarHBondContact OG-CA 3.28Å; S110-G114 PolarHBondContact OG-N 2.94Å; D112-G114 VanDerWaalsContact C-N 3.25Å; D112-G114 PolarHBondContact O-N 2.94Å; G114-W117 PolarHBondContact O-NE1 2.76Å; G114-W117 VanDerWaalsContact O-NE1 3.08Å; G114-F399 WeakPolarHBondContact O-CE1 3.44Å
115	N	96.4	Very high	97.6	Very high	80 Å²	80	47.5 Å²	47.5	43%	0.428	26%	0.261	S	S	.	.	S	Bend	trans	-69.9	-37	-179.9	-62.9	-11.8	0	0	0	111.9	Q59 D112 K401	Q59-N115 PolarHBondContact NE2-O 3Å; D112-N115 HydrophobicContact CB-CB 4.35Å; D112-N115 WeakPolarHBondContact O-CB 3.4Å; D112-N115 PolarHBondContact O-N 2.99Å; D112-N115 VanDerWaalsContact O-N 3.17Å; D112-N115 PolarHBondContact O-ND2 3.44Å; D112-N115 PolarHBondContact O-OD1 2.8Å; D112-N115 PolarHBondContact OD1-N 3.25Å; N115-K401 PolarHBondContact OD1-NZ 3.49Å
116	T	97.9	Very high	97.5	Very high	85 Å²	85	48.1 Å²	48.1	52%	0.521	26%	0.264	S	S	.	.	S	Bend	trans	-136.1	156.8	171.6	71.4	0	0	0	0	110.9	S110 D112	S110-T116 WeakPolarHBondContact CA-O 3.35Å; S110-T116 WeakPolarHBondContact CB-O 3.43Å; S110-T116 PolarHBondContact OG-O 2.86Å; D112-T116 VanDerWaalsContact CG-N 3.31Å; D112-T116 PolarHBondContact OD1-N 3.45Å; D112-T116 WeakPolarHBondContact OD2-CB 3.36Å; D112-T116 WeakPolarHBondContact OD2-CG2 3.29Å; D112-T116 PolarHBondContact OD2-N 2.92Å; D112-T116 VanDerWaalsContact OD2-N 3.1Å; D112-T116 PolarHBondContact OD2-OG1 3.14Å
117	W	98.7	Very high	97.4	Very high	35 Å²	35	50 Å²	50	13%	0.133	28%	0.284	C	S	.	.			trans	-131.6	144.2	-175.5	-66.3	85	0	0	0	111	L61 I78 L86 A88 R108 G114 F399	L61-W117 HydrophobicContact CD1-CZ2 4.46Å; L61-W117 HydrophobicContact CD2-CB 4.47Å; L61-W117 HydrophobicContact CD2-CD2 3.87Å; L61-W117 HydrophobicContact CD2-CG 3.73Å; I78-W117 HydrophobicContact CD1-CH2 4.26Å; L86-W117 HydrophobicContact CB-CH2 3.79Å; L86-W117 HydrophobicContact CB-CZ3 4.28Å; L86-W117 HydrophobicContact CD1-CH2 4.48Å; A88-W117 HydrophobicContact CB-CE3 4.26Å; A88-W117 HydrophobicContact CB-CH2 3.96Å; A88-W117 HydrophobicContact CB-CZ3 3.61Å; R108-W117 HydrophobicContact CB-CB 4.49Å; R108-W117 HydrophobicContact CB-CE3 3.87Å; G114-W117 PolarHBondContact O-NE1 2.76Å; G114-W117 VanDerWaalsContact O-NE1 3.08Å; W117-F399 HydrophobicContact CH2-CD2 4.32Å; W117-F399 HydrophobicContact CH2-CE2 4.34Å; W117-F399 AromaticContact CZ2-CD1 3.91Å; W117-F399 HydrophobicContact CZ2-CD1 3.91Å; W117-F399 AromaticContact CZ2-CD2 3.72Å; W117-F399 HydrophobicContact CZ2-CD2 3.72Å; W117-F399 AromaticContact CZ2-CE1 3.94Å; W117-F399 HydrophobicContact CZ2-CE1 3.94Å; W117-F399 AromaticContact CZ2-CE2 3.72Å; W117-F399 HydrophobicContact CZ2-CE2 3.72Å; W117-F399 AromaticContact CZ2-CG 3.79Å; W117-F399 HydrophobicContact CZ2-CG 3.79Å; W117-F399 AromaticContact CZ2-CZ 3.84Å; W117-F399 HydrophobicContact CZ2-CZ 3.84Å; W117-F399 AromaticContact NE1-CD1 3.91Å
118	S	98.4	Very high	97.2	Very high	41 Å²	41	54.8 Å²	54.8	29%	0.287	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-57.5	159.2	171	74.6	0	0	0	0	111.6	R108 R109	R108-S118 WeakPolarHBondContact CA-OG 3.23Å; R108-S118 WeakPolarHBondContact CG-O 3.44Å; R109-S118 PolarHBondContact N-OG 2.73Å; R109-S118 PolarHBondContact O-N 2.84Å
119	P	97.3	Very high	96.9	Very high	113 Å²	113	58.9 Å²	58.9	73%	0.734	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-50.5	152.8	157	-23.8	34.6	0	0	0	111.1	A121	P119-A121 PolarHBondContact O-N 2.89Å
120	T	97.2	Very high	96.5	Very high	41 Å²	41	59.1 Å²	59.1	25%	0.252	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-64.3	122.3	175	-50.8	0	0	0	0	110.1	W62 A106 V107 R108 F122	W62-T120 HydrophobicContact CZ2-CG2 4.43Å; W62-T120 PolarHBondContact NE1-OG1 2.74Å; A106-T120 HydrophobicContact CB-CG2 3.91Å; V107-T120 WeakPolarHBondContact O-CA 3.49Å; R108-T120 PolarHBondContact NE-OG1 2.8Å; T120-F122 HydrophobicContact CG2-CE1 4.16Å
121	A	97.3	Very high	96.4	Very high	51 Å²	51	59.1 Å²	59.1	42%	0.421	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	173	166.2	0	0	0	0	0	110.1	A106 V107 P119	A106-A121 CarbonylContact C-O 3.54Å; A106-A121 WeakPolarHBondContact CA-O 3.04Å; V107-A121 HydrophobicContact CG1-CB 3.91Å; V107-A121 PolarHBondContact N-O 2.95Å; V107-A121 PolarHBondContact O-N 2.88Å; P119-A121 PolarHBondContact O-N 2.89Å
122	F	97.7	Very high	96.3	Very high	89 Å²	89	55 Å²	55	39%	0.39	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	123.5	176.3	-57.5	-60	0	0	0	110.2	V70 F104 I105 A106 T120	V70-F122 HydrophobicContact CG2-CE1 4.24Å; V70-F122 HydrophobicContact CG2-CZ 4.25Å; F104-F122 HydrophobicContact CB-CB 4.37Å; F104-F122 HydrophobicContact CB-CD1 3.37Å; F104-F122 HydrophobicContact CB-CE1 3.79Å; F104-F122 HydrophobicContact CB-CG 3.98Å; F104-F122 HydrophobicContact CD1-CB 4.09Å; F104-F122 AromaticContact CD1-CD1 3.96Å; F104-F122 HydrophobicContact CD1-CD1 3.96Å; F104-F122 AromaticContact CD1-CD2 3.96Å; F104-F122 HydrophobicContact CD1-CD2 3.96Å; F104-F122 HydrophobicContact CD1-CE1 4.4Å; F104-F122 HydrophobicContact CD1-CE2 4.39Å; F104-F122 AromaticContact CD1-CG 3.74Å; F104-F122 HydrophobicContact CD1-CG 3.74Å; F104-F122 HydrophobicContact CD2-CD1 4.28Å; F104-F122 AromaticContact CD2-CE1 3.98Å; F104-F122 HydrophobicContact CD2-CE1 3.98Å; F104-F122 HydrophobicContact CD2-CZ 4.16Å; F104-F122 HydrophobicContact CE1-CD2 4.19Å; F104-F122 HydrophobicContact CE1-CE2 4.42Å; F104-F122 HydrophobicContact CE1-CG 4.42Å; F104-F122 HydrophobicContact CE2-CZ 4.42Å; F104-F122 AromaticContact CG-CD1 3.63Å; F104-F122 HydrophobicContact CG-CD1 3.63Å; F104-F122 HydrophobicContact CG-CD2 4.33Å; F104-F122 AromaticContact CG-CE1 3.81Å; F104-F122 HydrophobicContact CG-CE1 3.81Å; F104-F122 HydrophobicContact CG-CE2 4.48Å; F104-F122 AromaticContact CG-CG 3.92Å; F104-F122 HydrophobicContact CG-CG 3.92Å; F104-F122 HydrophobicContact CG-CZ 4.24Å; I105-F122 CarbonylContact O-C 3.44Å; I105-F122 VanDerWaalsContact O-CA 3.27Å; I105-F122 WeakPolarHBondContact O-CA 3.18Å; A106-F122 HydrophobicContact CB-CD1 3.97Å; A106-F122 HydrophobicContact CB-CE1 3.98Å; T120-F122 HydrophobicContact CG2-CE1 4.16Å
123	I	98.4	Very high	96.3	Very high	24 Å²	24	52.9 Å²	52.9	12%	0.123	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-44.3	177	-55.6	-179	0	0	0	110	I89 I105 V107 L149 V168 W177	I89-I123 HydrophobicContact CD1-CD1 4.2Å; I89-I123 HydrophobicContact CG1-CD1 4.44Å; I89-I123 HydrophobicContact CG2-CD1 4.38Å; I105-I123 HydrophobicContact CB-CB 4.25Å; I105-I123 HydrophobicContact CG2-CB 3.95Å; I105-I123 HydrophobicContact CG2-CD1 3.97Å; I105-I123 HydrophobicContact CG2-CG1 4.19Å; I105-I123 PolarHBondContact O-N 3.05Å; V107-I123 HydrophobicContact CB-CD1 3.84Å; V107-I123 HydrophobicContact CB-CG1 3.84Å; V107-I123 HydrophobicContact CG1-CD1 4.16Å; V107-I123 HydrophobicContact CG1-CG1 3.64Å; V107-I123 HydrophobicContact CG2-CD1 4.21Å; I123-L149 HydrophobicContact CD1-CD2 4.02Å; I123-V168 HydrophobicContact CG2-CB 4.45Å; I123-V168 HydrophobicContact CG2-CG2 3.61Å; I123-W177 HydrophobicContact CB-CG 4.46Å; I123-W177 HydrophobicContact CD1-CD2 4.07Å; I123-W177 HydrophobicContact CD1-CE3 4.46Å; I123-W177 HydrophobicContact CD1-CH2 4.01Å; I123-W177 HydrophobicContact CD1-CZ2 3.57Å; I123-W177 HydrophobicContact CD1-CZ3 4.44Å; I123-W177 HydrophobicContact CG1-CD2 4.25Å; I123-W177 HydrophobicContact CG1-CG 4.38Å; I123-W177 HydrophobicContact CG1-CZ2 4.41Å; I123-W177 HydrophobicContact CG2-CB 3.89Å; I123-W177 HydrophobicContact CG2-CD2 3.59Å; I123-W177 HydrophobicContact CG2-CE3 3.89Å; I123-W177 HydrophobicContact CG2-CG 3.58Å
124	V	98.3	Very high	96.5	Very high	15 Å²	15	50.4 Å²	50.4	9%	0.091	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	138.6	-179.7	-178	0	0	0	0	109.2	F104 I105 L133 Y151 V168	F104-V124 CarbonylContact C-O 3.58Å; F104-V124 VanDerWaalsContact CA-O 3.28Å; F104-V124 WeakPolarHBondContact CA-O 3.34Å; I105-V124 HydrophobicContact CB-CB 4.18Å; I105-V124 HydrophobicContact CD1-CB 4.01Å; I105-V124 HydrophobicContact CD1-CG2 3.91Å; I105-V124 HydrophobicContact CG1-CB 4.13Å; I105-V124 PolarHBondContact N-O 2.78Å; V124-L133 HydrophobicContact CB-CD2 4.06Å; V124-L133 HydrophobicContact CG1-CD2 3.64Å; V124-Y151 HydrophobicContact CG1-CE2 4.36Å; V124-Y151 HydrophobicContact CG2-CE1 4.06Å; V124-V168 HydrophobicContact CG2-CG1 4.17Å; V124-V168 HydrophobicContact CG2-CG2 4.16Å
125	D	97.5	Very high	96.5	Very high	95 Å²	95	50.8 Å²	50.8	51%	0.508	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	117.2	167.1	179.4	6.3	0	0	0	108.4	K94 F104 G127	K94-D125 WeakPolarHBondContact CE-OD1 3.44Å; K94-D125 IonicContact NZ-OD1 2.72Å; K94-D125 PolarHBondContact NZ-OD1 2.96Å; F104-D125 HydrophobicContact CD1-CB 3.8Å; F104-D125 HydrophobicContact CE1-CB 3.87Å; F104-D125 WeakPolarHBondContact CE1-OD1 3.16Å; D125-G127 PolarHBondContact O-N 3.15Å; D125-G127 WeakPolarHBondContact OD1-CA 3.29Å; D125-G127 PolarHBondContact OD1-N 2.82Å
126	D	96.5	Very high	96.5	Very high	13 Å²	13	47 Å²	47	7%	0.07	28%	0.282	C	S	.	.			trans	-84.6	10.2	175.4	71.9	8.5	0	0	0	114	K94 A102 K103 S128 F129 G132 L133	K94-D126 IonicContact NZ-OD1 2.87Å; K94-D126 PolarHBondContact NZ-OD1 3.43Å; A102-D126 VanDerWaalsContact CA-OD1 3.27Å; A102-D126 WeakPolarHBondContact CA-OD1 3.24Å; A102-D126 WeakPolarHBondContact CA-OD2 3.4Å; A102-D126 VanDerWaalsContact CB-OD1 3.27Å; A102-D126 WeakPolarHBondContact CB-OD1 3.03Å; K103-D126 PolarHBondContact N-OD1 3.03Å; K103-D126 PolarHBondContact N-OD2 2.9Å; K103-D126 PolarHBondContact O-N 2.94Å; D126-S128 PolarHBondContact O-N 3.25Å; D126-F129 HydrophobicContact CB-CD2 4.16Å; D126-F129 WeakPolarHBondContact O-CD2 3.39Å; D126-F129 PolarHBondContact O-N 2.59Å; D126-G132 WeakPolarHBondContact OD2-CA 3.37Å; D126-L133 HydrophobicContact CB-CD2 4.15Å; D126-L133 HydrophobicContact CB-CG 4.41Å; D126-L133 PolarHBondContact OD2-N 2.99Å
127	G	95.7	Very high	96.5	Very high	41 Å²	41	43 Å²	43	42%	0.423	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	-98.6	-179	0	0	0	0	0	112.3	K94 D125	K94-G127 PolarHBondContact NZ-O 2.94Å; D125-G127 PolarHBondContact O-N 3.15Å; D125-G127 WeakPolarHBondContact OD1-CA 3.29Å; D125-G127 PolarHBondContact OD1-N 2.82Å
128	S	94.8	Very high	96.4	Very high	109 Å²	109	41.3 Å²	41.3	76%	0.762	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.2	24	-174.2	58	0	0	0	0	114	D126	D126-S128 PolarHBondContact O-N 3.25Å
129	F	91.4	Very high	96.4	Very high	141 Å²	141	39.4 Å²	39.4	62%	0.618	24%	0.238	S	C	*	.			trans	-59.7	136.8	179.1	-71.6	-59.1	0	0	0	112.1	A102 D126 D131 G132	A102-F129 PolarHBondContact N-O 3.3Å; D126-F129 HydrophobicContact CB-CD2 4.16Å; D126-F129 WeakPolarHBondContact O-CD2 3.39Å; D126-F129 PolarHBondContact O-N 2.59Å; F129-D131 PolarHBondContact O-N 2.92Å; F129-G132 PolarHBondContact O-N 3.42Å
130	P	92	Very high	96.4	Very high	60 Å²	60	34.1 Å²	34.1	39%	0.39	20%	0.203	S	C	.	.	S	Bend	trans	-64.2	-39.5	-173.3	-25.9	35.3	0	0	0	115.2	I100 G101 Y158 H159	I100-P130 WeakPolarHBondContact CG2-O 3.21Å; G101-P130 VanDerWaalsContact CA-O 3.32Å; G101-P130 WeakPolarHBondContact CA-O 3.45Å; G101-P130 PolarHBondContact N-O 2.9Å; P130-Y158 HydrophobicContact CB-CD1 3.89Å; P130-Y158 HydrophobicContact CB-CE1 4.02Å; P130-H159 HydrophobicContact CB-CB 4.21Å; P130-H159 HydrophobicContact CG-CB 4.3Å
131	D	95.2	Very high	96.5	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.011	19%	0.191	C	C	.	.	S	Bend	trans	-81.5	-46.1	173.6	-161.7	-39.6	0	0	0	110.5	G101 K103 F129 C154 H156 L157 Y158 C160	G101-D131 CarbonylContact C-O 3.23Å; G101-D131 PolarHBondContact N-O 2.85Å; K103-D131 PolarHBondContact NZ-O 2.84Å; F129-D131 PolarHBondContact O-N 2.92Å; D131-C154 WeakPolarHBondContact OD2-CA 2.91Å; D131-H156 IonicContact OD1-CE1 3.78Å; D131-H156 IonicContact OD1-CG 3.59Å; D131-H156 IonicContact OD1-ND1 2.73Å; D131-H156 PolarHBondContact OD1-ND1 2.75Å; D131-H156 WeakPolarHBondContact OD2-CA 3.26Å; D131-H156 PolarHBondContact OD2-N 2.82Å; D131-H156 VanDerWaalsContact OD2-N 3.11Å; D131-L157 PolarHBondContact OD2-N 3.03Å; D131-Y158 PolarHBondContact OD2-N 2.87Å; D131-C160 VanDerWaalsContact CB-SG 3.52Å; D131-C160 PolarHBondContact OD2-SG 2.84Å
132	G	95.2	Very high	96.4	Very high	3 Å²	3	32.3 Å²	32.3	3%	0.031	18%	0.183	C	C	.	.			trans	84.6	-164.4	-179.3	0	0	0	0	0	113.4	D126 F129 C154	D126-G132 WeakPolarHBondContact OD2-CA 3.37Å; F129-G132 PolarHBondContact O-N 3.42Å; G132-C154 PolarHBondContact O-N 3.02Å; G132-C154 VanDerWaalsContact O-N 3.16Å
133	L	96.9	Very high	96.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	160.3	165.1	66.2	81.5	0	0	0	112	K103 I105 V124 D126 Y151 T152 I153	K103-L133 HydrophobicContact CB-CD1 3.98Å; K103-L133 HydrophobicContact CB-CG 4.13Å; K103-L133 HydrophobicContact CD-CD1 4.29Å; K103-L133 WeakPolarHBondContact CD-O 3.24Å; K103-L133 VanDerWaalsContact CE-O 3.28Å; K103-L133 WeakPolarHBondContact CE-O 3.18Å; K103-L133 PolarHBondContact NZ-O 3.18Å; I105-L133 HydrophobicContact CD1-CD1 4.22Å; I105-L133 HydrophobicContact CD1-CD2 4.12Å; I105-L133 HydrophobicContact CG1-CD1 3.69Å; I105-L133 HydrophobicContact CG1-CD2 3.77Å; I105-L133 HydrophobicContact CG1-CG 4.43Å; V124-L133 HydrophobicContact CB-CD2 4.06Å; V124-L133 HydrophobicContact CG1-CD2 3.64Å; D126-L133 HydrophobicContact CB-CD2 4.15Å; D126-L133 HydrophobicContact CB-CG 4.41Å; D126-L133 PolarHBondContact OD2-N 2.99Å; L133-Y151 HydrophobicContact CB-CD2 3.99Å; L133-Y151 HydrophobicContact CB-CE2 4.13Å; L133-Y151 HydrophobicContact CD2-CE2 4.4Å; L133-T152 CarbonylContact C-O 3.55Å; L133-T152 VanDerWaalsContact CA-O 3.25Å; L133-T152 WeakPolarHBondContact CA-O 3.24Å; L133-I153 HydrophobicContact CB-CG2 4.01Å
134	N	96.8	Very high	96.3	Very high	20 Å²	20	35.7 Å²	35.7	11%	0.107	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.7	162.2	-77.6	92.9	0	0	0	107.7	E91 G136 Y151 T152 F155 H156	E91-N134 WeakPolarHBondContact OE1-CA 3.32Å; N134-G136 PolarHBondContact O-N 3.4Å; N134-Y151 WeakPolarHBondContact O-CB 3.39Å; N134-T152 PolarHBondContact N-O 2.89Å; N134-T152 PolarHBondContact O-N 3.2Å; N134-T152 VanDerWaalsContact O-N 3.07Å; N134-F155 WeakPolarHBondContact OD1-CB 3.18Å; N134-H156 PolarHBondContact OD1-CE1 2.64Å
135	L	97.6	Very high	96.2	Very high	8 Å²	8	36.3 Å²	36.3	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	125.3	176.1	178.5	55.8	0	0	0	109.4	I75 L77 I89 A90 E91 I105 L149	I75-L135 HydrophobicContact CG2-CB 4.44Å; I75-L135 WeakPolarHBondContact O-CD2 3.41Å; L77-L135 HydrophobicContact CD1-CD1 3.88Å; L77-L135 HydrophobicContact CD1-CD2 4.18Å; L77-L135 HydrophobicContact CD1-CG 3.91Å; L77-L135 HydrophobicContact CG-CD2 4.12Å; L77-L135 HydrophobicContact CG-CG 4.28Å; I89-L135 HydrophobicContact CG2-CD1 4.05Å; I89-L135 HydrophobicContact CG2-CD2 3.98Å; A90-L135 VanDerWaalsContact C-CD2 3.43Å; E91-L135 HydrophobicContact CG-CB 3.38Å; E91-L135 HydrophobicContact CG-CD2 4.24Å; E91-L135 HydrophobicContact CG-CG 4.47Å; E91-L135 PolarHBondContact OE1-N 2.97Å; I105-L135 HydrophobicContact CD1-CD1 4.12Å; I105-L135 HydrophobicContact CG1-CD1 4.28Å; I105-L135 HydrophobicContact CG2-CD1 4.12Å; L135-L149 HydrophobicContact CD1-CD1 3.8Å; L135-L149 HydrophobicContact CD1-CD2 4.1Å; L135-L149 HydrophobicContact CD1-CG 4.41Å
136	G	95.4	Very high	96.2	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-108.6	-178.1	0	0	0	0	0	112.7	L77 N134 I150 P194 P196	L77-G136 WeakPolarHBondContact CD1-O 3.16Å; N134-G136 PolarHBondContact O-N 3.4Å; G136-I150 CarbonylContact C-O 3.58Å; G136-I150 VanDerWaalsContact CA-O 3.27Å; G136-I150 WeakPolarHBondContact CA-O 3.35Å; G136-P194 CarbonylContact C-O 3.55Å; G136-P194 VanDerWaalsContact C-O 3.23Å; G136-P194 WeakPolarHBondContact CA-O 3.37Å; G136-P196 VanDerWaalsContact O-CA 3.29Å; G136-P196 WeakPolarHBondContact O-CA 3.39Å
137	S	97.4	Very high	96.3	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.007	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	139.9	-169.3	-179.8	0	0	0	0	110.4	I150 G197 G199	S137-I150 PolarHBondContact N-O 3.13Å; S137-I150 PolarHBondContact O-N 3.48Å; S137-G197 VanDerWaalsContact CA-O 3.32Å; S137-G197 WeakPolarHBondContact CA-O 3.43Å; S137-G197 PolarHBondContact OG-O 2.72Å; S137-G197 VanDerWaalsContact OG-O 3.04Å; S137-G199 PolarHBondContact OG-N 2.91Å; S137-G199 VanDerWaalsContact OG-N 3.14Å
138	V	98	Very high	96.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	143.2	174	66.4	0	0	0	0	109.2	L77 T79 I89 V147 I148 L149 G197 F198 G199	L77-V138 HydrophobicContact CD1-CG1 4.4Å; T79-V138 HydrophobicContact CG2-CG1 3.73Å; T79-V138 HydrophobicContact CG2-CG2 3.99Å; I89-V138 HydrophobicContact CD1-CB 4.38Å; I89-V138 HydrophobicContact CD1-CG1 4.49Å; I89-V138 HydrophobicContact CD1-CG2 4.3Å; V138-V147 HydrophobicContact CG2-CG1 3.49Å; V138-V147 VanDerWaalsContact CG2-CG1 3.49Å; V138-I148 CarbonylContact C-O 3.51Å; V138-I148 WeakPolarHBondContact CA-O 3.37Å; V138-I148 WeakPolarHBondContact CG2-O 3.48Å; V138-L149 HydrophobicContact CB-CD1 3.81Å; V138-L149 HydrophobicContact CG2-CB 4.39Å; V138-L149 HydrophobicContact CG2-CD1 4.43Å; V138-G197 PolarHBondContact N-O 2.9Å; V138-F198 HydrophobicContact CG1-CD2 3.75Å; V138-F198 HydrophobicContact CG1-CE2 4.1Å; V138-F198 CarbonylContact O-C 3.37Å; V138-F198 WeakPolarHBondContact O-CA 3.42Å; V138-F198 WeakPolarHBondContact O-CD2 3.47Å; V138-F198 VanDerWaalsContact O-CE2 3.24Å; V138-F198 WeakPolarHBondContact O-CE2 3.36Å; V138-G199 PolarHBondContact O-N 2.78Å
139	V	97.9	Very high	96.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	144	172.9	59.9	0	0	0	0	108.3	I148 L211 V213 W236	V139-I148 HydrophobicContact CG1-CB 3.89Å; V139-I148 HydrophobicContact CG1-CG2 4.18Å; V139-I148 PolarHBondContact N-O 2.66Å; V139-I148 PolarHBondContact O-N 2.9Å; V139-L211 HydrophobicContact CG2-CD2 4.23Å; V139-V213 HydrophobicContact CB-CG2 4.01Å; V139-V213 HydrophobicContact CG1-CG2 3.81Å; V139-W236 HydrophobicContact CG1-CH2 4.37Å
140	V	98	Very high	97	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.012	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133.8	174.5	175.5	0	0	0	0	107.9	T79 F80 P82 E142 V147 F198	T79-V140 HydrophobicContact CG2-CG2 4.42Å; T79-V140 WeakPolarHBondContact OG1-CG2 3.44Å; F80-V140 HydrophobicContact CE2-CG1 4.2Å; F80-V140 HydrophobicContact CZ-CB 4.39Å; F80-V140 HydrophobicContact CZ-CG1 4.31Å; F80-V140 WeakPolarHBondContact O-CG2 3.39Å; P82-V140 HydrophobicContact CG-CG1 3.69Å; V140-E142 HydrophobicContact CG1-CG 4Å; V140-V147 HydrophobicContact CG2-CG1 4.42Å; V140-V147 HydrophobicContact CG2-CG2 4.38Å; V140-F198 HydrophobicContact CB-CZ 4.06Å; V140-F198 HydrophobicContact CG2-CE2 4.01Å; V140-F198 HydrophobicContact CG2-CZ 3.83Å
141	D	98	Very high	97.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	105.3	163.5	-171.9	-26.1	0	0	0	107.9	E143 T144 G145 S146 Q201 L211 H232	D141-E143 VanDerWaalsContact C-N 3.28Å; D141-E143 WeakPolarHBondContact OD1-CA 3.36Å; D141-E143 WeakPolarHBondContact OD1-CB 3.35Å; D141-E143 PolarHBondContact OD1-N 2.8Å; D141-T144 WeakPolarHBondContact CB-OG1 3.31Å; D141-T144 PolarHBondContact OD1-N 3.36Å; D141-T144 PolarHBondContact OD1-OG1 3.39Å; D141-T144 PolarHBondContact OD2-OG1 2.61Å; D141-T144 VanDerWaalsContact OD2-OG1 3.14Å; D141-G145 CarbonylContact O-C 3.21Å; D141-G145 VanDerWaalsContact O-CA 3.29Å; D141-G145 WeakPolarHBondContact O-CA 2.87Å; D141-G145 PolarHBondContact O-N 3.49Å; D141-S146 PolarHBondContact N-O 3.05Å; D141-S146 PolarHBondContact O-N 3.37Å; D141-Q201 VanDerWaalsContact CG-NE2 3.35Å; D141-Q201 PolarHBondContact OD1-NE2 2.67Å; D141-L211 HydrophobicContact CB-CD2 4.13Å; D141-H232 IonicContact OD1-ND1 3.65Å; D141-H232 WeakPolarHBondContact OD2-CA 3.5Å; D141-H232 VanDerWaalsContact OD2-CB 3.25Å; D141-H232 WeakPolarHBondContact OD2-CB 3.28Å; D141-H232 IonicContact OD2-CE1 2.81Å; D141-H232 IonicContact OD2-CG 2.69Å; D141-H232 IonicContact OD2-ND1 3.35Å; D141-H232 PolarHBondContact OD2-ND1 2.86Å
142	E	95.5	Very high	97.4	Very high	54 Å²	54	14.8 Å²	14.8	25%	0.252	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-18.2	-178.8	-54.9	-176.4	-101.6	0	0	111.9	F80 V140 R203 N372	F80-E142 HydrophobicContact CE2-CG 4.17Å; F80-E142 HydrophobicContact CZ-CG 4.03Å; F80-E142 WeakPolarHBondContact CZ-OE2 3.47Å; V140-E142 HydrophobicContact CG1-CG 4Å; E142-R203 IonicContact OE1-CZ 3.81Å; E142-R203 IonicContact OE1-NE 3.2Å; E142-R203 PolarHBondContact OE1-NE 3.2Å; E142-R203 IonicContact OE1-NH2 2.72Å; E142-R203 PolarHBondContact OE1-NH2 2.58Å; E142-R203 IonicContact OE2-CZ 2.76Å; E142-R203 IonicContact OE2-NH2 2.69Å; E142-R203 PolarHBondContact OE2-NH2 2.53Å; E142-N372 PolarHBondContact OE2-ND2 2.87Å
143	E	96.8	Very high	97.5	Very high	110 Å²	110	17.4 Å²	17.4	51%	0.514	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-31.8	178.3	-61.5	-172.2	168.9	0	0	112.1	D141 H232	D141-E143 VanDerWaalsContact C-N 3.28Å; D141-E143 WeakPolarHBondContact OD1-CA 3.36Å; D141-E143 WeakPolarHBondContact OD1-CB 3.35Å; D141-E143 PolarHBondContact OD1-N 2.8Å; E143-H232 IonicContact OE2-CE1 2.76Å
144	T	97.2	Very high	97.4	Very high	75 Å²	75	18 Å²	18	46%	0.46	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-17.6	174.9	62.9	0	0	0	0	114.8	D141 H232	D141-T144 WeakPolarHBondContact CB-OG1 3.31Å; D141-T144 PolarHBondContact OD1-N 3.36Å; D141-T144 PolarHBondContact OD1-OG1 3.39Å; D141-T144 PolarHBondContact OD2-OG1 2.61Å; D141-T144 VanDerWaalsContact OD2-OG1 3.14Å; T144-H232 HydrophobicContact CG2-CB 3.79Å; T144-H232 WeakPolarHBondContact CG2-ND1 3.41Å
145	G	96.3	Very high	97.2	Very high	27 Å²	27	17.9 Å²	17.9	28%	0.278	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	6.5	-177.2	0	0	0	0	0	115	D141	D141-G145 CarbonylContact O-C 3.21Å; D141-G145 VanDerWaalsContact O-CA 3.29Å; D141-G145 WeakPolarHBondContact O-CA 2.87Å; D141-G145 PolarHBondContact O-N 3.49Å
146	S	97.8	Very high	97	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	155.7	-174.2	95.9	0	0	0	0	113.9	D141 E169 S170 W171	D141-S146 PolarHBondContact N-O 3.05Å; D141-S146 PolarHBondContact O-N 3.37Å; S146-E169 WeakPolarHBondContact CB-OE1 3.41Å; S146-E169 PolarHBondContact OG-OE1 2.91Å; S146-S170 CarbonylContact C-O 3.59Å; S146-S170 VanDerWaalsContact CA-O 3.31Å; S146-S170 WeakPolarHBondContact CA-O 3.45Å; S146-W171 VanDerWaalsContact CB-CD1 3.45Å
147	V	98.6	Very high	96.9	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	111	174	-171.8	0	0	0	0	108.5	T79 T81 L87 V138 V140 E169 S170 W177	T79-V147 HydrophobicContact CG2-CG1 4.32Å; T81-V147 HydrophobicContact CG2-CG2 4.16Å; L87-V147 HydrophobicContact CD1-CB 4.5Å; L87-V147 HydrophobicContact CD1-CG1 4.03Å; L87-V147 HydrophobicContact CD1-CG2 4.2Å; V138-V147 HydrophobicContact CG2-CG1 3.49Å; V138-V147 VanDerWaalsContact CG2-CG1 3.49Å; V140-V147 HydrophobicContact CG2-CG1 4.42Å; V140-V147 HydrophobicContact CG2-CG2 4.38Å; V147-E169 CarbonylContact O-C 3.37Å; V147-E169 VanDerWaalsContact O-CA 3.31Å; V147-E169 WeakPolarHBondContact O-CA 3.29Å; V147-S170 PolarHBondContact N-O 2.69Å; V147-S170 PolarHBondContact O-N 2.85Å; V147-W177 HydrophobicContact CB-CH2 4.21Å; V147-W177 HydrophobicContact CG1-CH2 3.82Å; V147-W177 HydrophobicContact CG1-CZ3 4.44Å; V147-W177 WeakPolarHBondContact O-CZ3 3.41Å
148	I	98.8	Very high	96.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	119.6	-177.3	-66.8	163.9	0	0	0	109	V138 V139 I150 M167 E169 L211 W236	V138-I148 CarbonylContact C-O 3.51Å; V138-I148 WeakPolarHBondContact CA-O 3.37Å; V138-I148 WeakPolarHBondContact CG2-O 3.48Å; V139-I148 HydrophobicContact CG1-CB 3.89Å; V139-I148 HydrophobicContact CG1-CG2 4.18Å; V139-I148 PolarHBondContact N-O 2.66Å; V139-I148 PolarHBondContact O-N 2.9Å; I148-I150 HydrophobicContact CG2-CD1 4.32Å; I148-I150 HydrophobicContact CG2-CG1 3.82Å; I148-M167 HydrophobicContact CD1-CE 4.28Å; I148-M167 HydrophobicContact CG1-CE 4.05Å; I148-M167 HydrophobicContact CG2-CB 4.34Å; I148-M167 HydrophobicContact CG2-CE 3.75Å; I148-M167 HydrophobicContact CG2-SD 4.33Å; I148-E169 HydrophobicContact CG1-CB 4.19Å; I148-E169 HydrophobicContact CG1-CG 3.62Å; I148-L211 HydrophobicContact CD1-CD1 3.79Å; I148-W236 HydrophobicContact CD1-CZ2 4.45Å; I148-W236 HydrophobicContact CG2-CZ2 4.36Å
149	L	98.7	Very high	96.6	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	114.7	172	178.3	67.6	0	0	0	110.1	L77 I89 I105 I123 L135 V138 M167 V168 W177	L77-L149 HydrophobicContact CD1-CD1 4.07Å; I89-L149 HydrophobicContact CD1-CD1 4.45Å; I89-L149 HydrophobicContact CG2-CD2 4.34Å; I105-L149 HydrophobicContact CD1-CD2 3.92Å; I105-L149 HydrophobicContact CG2-CD2 3.65Å; I123-L149 HydrophobicContact CD1-CD2 4.02Å; L135-L149 HydrophobicContact CD1-CD1 3.8Å; L135-L149 HydrophobicContact CD1-CD2 4.1Å; L135-L149 HydrophobicContact CD1-CG 4.41Å; V138-L149 HydrophobicContact CB-CD1 3.81Å; V138-L149 HydrophobicContact CG2-CB 4.39Å; V138-L149 HydrophobicContact CG2-CD1 4.43Å; L149-M167 VanDerWaalsContact O-CA 3.28Å; L149-M167 WeakPolarHBondContact O-CA 3.25Å; L149-V168 HydrophobicContact CB-CG2 4.07Å; L149-V168 HydrophobicContact CD2-CG2 4.3Å; L149-V168 PolarHBondContact N-O 3.27Å; L149-V168 PolarHBondContact O-N 3.28Å; L149-W177 HydrophobicContact CB-CH2 4.44Å; L149-W177 HydrophobicContact CB-CZ3 3.87Å
150	I	98.7	Very high	96.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.8	175.3	-46.6	-169.3	0	0	0	109	G136 S137 I148 T165 M166 M167 L183 P194 V213 I227 W236	G136-I150 CarbonylContact C-O 3.58Å; G136-I150 VanDerWaalsContact CA-O 3.27Å; G136-I150 WeakPolarHBondContact CA-O 3.35Å; S137-I150 PolarHBondContact N-O 3.13Å; S137-I150 PolarHBondContact O-N 3.48Å; I148-I150 HydrophobicContact CG2-CD1 4.32Å; I148-I150 HydrophobicContact CG2-CG1 3.82Å; I150-T165 HydrophobicContact CG2-CG2 3.66Å; I150-M166 WeakPolarHBondContact CA-O 3.39Å; I150-M166 WeakPolarHBondContact CG2-O 3.36Å; I150-M167 HydrophobicContact CG1-CB 4.17Å; I150-L183 HydrophobicContact CD1-CD1 4.2Å; I150-L183 HydrophobicContact CG2-CD1 4.25Å; I150-P194 HydrophobicContact CB-CG 4.14Å; I150-P194 HydrophobicContact CG2-CG 3.75Å; I150-V213 HydrophobicContact CD1-CB 4.25Å; I150-V213 HydrophobicContact CD1-CG1 4.34Å; I150-V213 HydrophobicContact CD1-CG2 3.94Å; I150-I227 HydrophobicContact CD1-CD1 3.83Å; I150-I227 HydrophobicContact CG2-CD1 4.37Å; I150-W236 HydrophobicContact CD1-CD2 4.27Å; I150-W236 HydrophobicContact CD1-CE3 4.22Å; I150-W236 HydrophobicContact CD1-CH2 3.74Å; I150-W236 HydrophobicContact CD1-CZ2 3.79Å; I150-W236 HydrophobicContact CD1-CZ3 3.96Å
151	Y	98.3	Very high	96	Very high	8 Å²	8	47.8 Å²	47.8	3%	0.031	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	172.6	-176.8	73.6	-84	0	0	0	110.1	I105 V124 L133 N134 I153 M166 V168 P180	I105-Y151 HydrophobicContact CD1-CD1 4.08Å; I105-Y151 HydrophobicContact CD1-CD2 4.12Å; I105-Y151 HydrophobicContact CD1-CG 3.83Å; V124-Y151 HydrophobicContact CG1-CE2 4.36Å; V124-Y151 HydrophobicContact CG2-CE1 4.06Å; L133-Y151 HydrophobicContact CB-CD2 3.99Å; L133-Y151 HydrophobicContact CB-CE2 4.13Å; L133-Y151 HydrophobicContact CD2-CE2 4.4Å; N134-Y151 WeakPolarHBondContact O-CB 3.39Å; Y151-I153 HydrophobicContact CD2-CG2 4.31Å; Y151-I153 HydrophobicContact CE2-CG2 3.79Å; Y151-M166 HydrophobicContact CD1-CB 3.98Å; Y151-M166 HydrophobicContact CD2-CB 4.2Å; Y151-M166 HydrophobicContact CE1-CB 3.54Å; Y151-M166 HydrophobicContact CE2-CB 3.81Å; Y151-M166 HydrophobicContact CE2-CG 4.14Å; Y151-M166 HydrophobicContact CG-CB 4.29Å; Y151-M166 VanDerWaalsContact CZ-CB 3.46Å; Y151-M166 PolarHBondContact N-O 3.24Å; Y151-M166 PolarHBondContact O-N 3.27Å; Y151-V168 HydrophobicContact CE1-CG1 4.26Å; Y151-V168 HydrophobicContact CE1-CG2 4.28Å; Y151-P180 WeakPolarHBondContact OH-CB 3.31Å; Y151-P180 WeakPolarHBondContact OH-CG 3.49Å
152	T	97.4	Very high	95.8	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	148.5	-175.9	-62.1	0	0	0	0	110.7	L133 N134 F155 S164 F192 P194	L133-T152 CarbonylContact C-O 3.55Å; L133-T152 VanDerWaalsContact CA-O 3.25Å; L133-T152 WeakPolarHBondContact CA-O 3.24Å; N134-T152 PolarHBondContact N-O 2.89Å; N134-T152 PolarHBondContact O-N 3.2Å; N134-T152 VanDerWaalsContact O-N 3.07Å; T152-F155 HydrophobicContact CG2-CB 4.04Å; T152-F155 HydrophobicContact CG2-CD2 4.14Å; T152-S164 WeakPolarHBondContact CA-O 3.46Å; T152-F192 WeakPolarHBondContact CB-O 3.31Å; T152-F192 VanDerWaalsContact CG2-O 3.28Å; T152-F192 WeakPolarHBondContact CG2-O 3.36Å; T152-F192 PolarHBondContact OG1-O 3.12Å; T152-P194 WeakPolarHBondContact OG1-CD 3.35Å
153	I	96.7	Very high	95.7	Very high	58 Å²	58	48.7 Å²	48.7	30%	0.297	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	148.3	169.8	61.5	174.3	0	0	0	110	L133 Y151 F155 A163 S164 M166	L133-I153 HydrophobicContact CB-CG2 4.01Å; Y151-I153 HydrophobicContact CD2-CG2 4.31Å; Y151-I153 HydrophobicContact CE2-CG2 3.79Å; I153-F155 VanDerWaalsContact C-N 3.35Å; I153-F155 PolarHBondContact O-N 2.73Å; I153-A163 WeakPolarHBondContact O-CA 3.41Å; I153-S164 PolarHBondContact N-O 3.17Å; I153-S164 PolarHBondContact O-N 3.49Å; I153-M166 HydrophobicContact CD1-CG 4.18Å; I153-M166 HydrophobicContact CD1-SD 4.17Å; I153-M166 HydrophobicContact CG1-CG 4.07Å; I153-M166 HydrophobicContact CG2-CG 4.24Å
154	C	94.8	Very high	95.7	Very high	11 Å²	11	44.2 Å²	44.2	7%	0.074	23%	0.229	C	C	.	.	S	Bend	trans	58.3	42.1	179	-170.3	0	0	0	0	113.4	D131 G132 C160 A163	D131-C154 WeakPolarHBondContact OD2-CA 2.91Å; G132-C154 PolarHBondContact O-N 3.02Å; G132-C154 VanDerWaalsContact O-N 3.16Å; C154-C160 VanDerWaalsContact CA-SG 3.58Å; C154-C160 HydrophobicContact CB-CB 3.99Å; C154-C160 WeakPolarHBondContact CB-SG 3.44Å; C154-C160 WeakPolarHBondContact SG-CB 3.48Å; C154-C160 PolarHBondContact SG-O 3.1Å; C154-C160 VanDerWaalsContact SG-O 3.34Å; C154-C160 CovalentContact SG-SG 2.02Å; C154-C160 PolarHBondContact SG-SG 3.28Å; C154-A163 WeakPolarHBondContact O-CA 3.27Å; C154-A163 VanDerWaalsContact O-CB 3.32Å; C154-A163 WeakPolarHBondContact O-CB 3.37Å
155	F	94.3	Very high	95.8	Very high	19 Å²	19	40.8 Å²	40.8	8%	0.083	21%	0.208	C	C	.	.	S	Bend	trans	-69.9	-36.9	-176.6	-177.3	-112.4	0	0	0	112.4	N134 T152 I153 L157 A191 A193 H216 G217 T218	N134-F155 WeakPolarHBondContact OD1-CB 3.18Å; T152-F155 HydrophobicContact CG2-CB 4.04Å; T152-F155 HydrophobicContact CG2-CD2 4.14Å; I153-F155 VanDerWaalsContact C-N 3.35Å; I153-F155 PolarHBondContact O-N 2.73Å; F155-L157 VanDerWaalsContact C-N 3.3Å; F155-L157 PolarHBondContact O-N 2.92Å; F155-A191 HydrophobicContact CD2-CB 4.08Å; F155-A191 HydrophobicContact CE2-CB 4.19Å; F155-A193 HydrophobicContact CD2-CB 3.94Å; F155-A193 HydrophobicContact CE1-CB 4.24Å; F155-A193 HydrophobicContact CE2-CB 3.52Å; F155-A193 HydrophobicContact CG-CB 4.46Å; F155-A193 HydrophobicContact CZ-CB 3.68Å; F155-H216 AromaticContact CE1-CE1 3.98Å; F155-H216 AromaticContact CZ-CE1 3.66Å; F155-G217 WeakPolarHBondContact CZ-O 3.46Å; F155-T218 HydrophobicContact CD1-CG2 4.41Å; F155-T218 HydrophobicContact CD2-CG2 4.02Å; F155-T218 HydrophobicContact CE1-CG2 4.08Å; F155-T218 HydrophobicContact CE2-CG2 3.67Å; F155-T218 HydrophobicContact CG-CG2 4.39Å; F155-T218 HydrophobicContact CZ-CG2 3.71Å; F155-T218 VanDerWaalsContact O-CG2 3.31Å; F155-T218 WeakPolarHBondContact O-CG2 3.34Å
156	H	93.3	Very high	95.9	Very high	69 Å²	69	40.4 Å²	40.4	32%	0.319	20%	0.199	S	C	.	.	S	Bend	trans	-84.7	-4.4	-178.6	-43.8	91.2	0	0	0	113.1	D99 I100 D131 N134 Y158	D99-H156 PolarHBondContact O-CE1 2.59Å; I100-H156 HydrophobicContact CD1-CB 3.87Å; I100-H156 HydrophobicContact CG1-CB 3.76Å; I100-H156 VanDerWaalsContact CG1-CG 3.48Å; D131-H156 IonicContact OD1-CE1 3.78Å; D131-H156 IonicContact OD1-CG 3.59Å; D131-H156 IonicContact OD1-ND1 2.73Å; D131-H156 PolarHBondContact OD1-ND1 2.75Å; D131-H156 WeakPolarHBondContact OD2-CA 3.26Å; D131-H156 PolarHBondContact OD2-N 2.82Å; D131-H156 VanDerWaalsContact OD2-N 3.11Å; N134-H156 PolarHBondContact OD1-CE1 2.64Å; H156-Y158 PolarHBondContact O-N 2.89Å
157	L	92.6	Very high	95.9	Very high	91 Å²	91	40.4 Å²	40.4	48%	0.476	20%	0.199	S	C	.	.			trans	58.1	28.6	-174.4	-52.9	173.8	0	0	0	113.3	D131 F155 H159 C160 A163	D131-L157 PolarHBondContact OD2-N 3.03Å; F155-L157 VanDerWaalsContact C-N 3.3Å; F155-L157 PolarHBondContact O-N 2.92Å; L157-H159 PolarHBondContact O-N 3.09Å; L157-C160 CarbonylContact C-O 3.55Å; L157-A163 HydrophobicContact CD2-CB 4.29Å
158	Y	94.3	Very high	95.9	Very high	102 Å²	102	40.4 Å²	40.4	40%	0.4	20%	0.199	S	C	.	.	S	Bend	trans	-82.9	105.2	-174.1	-175.5	-107.1	0	0	0	112.2	I100 P130 D131 H156 C160	I100-Y158 HydrophobicContact CD1-CG 4.34Å; I100-Y158 HydrophobicContact CG2-CD1 3.54Å; I100-Y158 HydrophobicContact CG2-CE1 4.13Å; I100-Y158 HydrophobicContact CG2-CG 3.92Å; P130-Y158 HydrophobicContact CB-CD1 3.89Å; P130-Y158 HydrophobicContact CB-CE1 4.02Å; D131-Y158 PolarHBondContact OD2-N 2.87Å; H156-Y158 PolarHBondContact O-N 2.89Å; Y158-C160 PolarHBondContact O-N 2.62Å; Y158-C160 VanDerWaalsContact O-N 3.13Å; Y158-C160 PolarHBondContact O-SG 2.7Å
159	H	95.2	Very high	95.9	Very high	148 Å²	148	41.2 Å²	41.2	69%	0.685	20%	0.203	S	C	*	.	S	Bend	trans	57.9	16.8	-173.8	-59.6	160.8	0	0	0	114.8	P130 L157	P130-H159 HydrophobicContact CB-CB 4.21Å; P130-H159 HydrophobicContact CG-CB 4.3Å; L157-H159 PolarHBondContact O-N 3.09Å
160	C	92.4	Very high	95.9	Very high	40 Å²	40	41.2 Å²	41.2	27%	0.27	20%	0.203	S	C	.	.			trans	-143.9	157.1	-179.8	62.1	0	0	0	0	109.8	D131 C154 L157 Y158	D131-C160 VanDerWaalsContact CB-SG 3.52Å; D131-C160 PolarHBondContact OD2-SG 2.84Å; C154-C160 VanDerWaalsContact CA-SG 3.58Å; C154-C160 HydrophobicContact CB-CB 3.99Å; C154-C160 WeakPolarHBondContact CB-SG 3.44Å; C154-C160 WeakPolarHBondContact SG-CB 3.48Å; C154-C160 PolarHBondContact SG-O 3.1Å; C154-C160 VanDerWaalsContact SG-O 3.34Å; C154-C160 CovalentContact SG-SG 2.02Å; C154-C160 PolarHBondContact SG-SG 3.28Å; L157-C160 CarbonylContact C-O 3.55Å; Y158-C160 PolarHBondContact O-N 2.62Å; Y158-C160 VanDerWaalsContact O-N 3.13Å; Y158-C160 PolarHBondContact O-SG 2.7Å
161	K	91.6	Very high	95.9	Very high	190 Å²	190	48.9 Å²	48.9	83%	0.826	23%	0.232	S	C	*	.			trans	-170.6	150.8	169.5	52.9	-173.5	177.8	-175.7	0	110.6
162	P	92.9	Very high	95.8	Very high	70 Å²	70	51 Å²	51	46%	0.455	24%	0.244	S	C	.	.	S	Bend	cis	-74.8	178.4	-9.2	35.3	-37	0	0	0	111.9	V189	P162-V189 HydrophobicContact CB-CB 3.89Å; P162-V189 HydrophobicContact CB-CG2 4.25Å; P162-V189 HydrophobicContact CG-CB 3.85Å; P162-V189 HydrophobicContact CG-CG1 3.99Å; P162-V189 HydrophobicContact CG-CG2 4.36Å
163	A	94.3	Very high	95.8	Very high	2 Å²	2	51.2 Å²	51.2	2%	0.017	25%	0.245	C	C	.	.			trans	-62.3	160	160.6	0	0	0	0	0	110.6	I153 C154 L157 A191	I153-A163 WeakPolarHBondContact O-CA 3.41Å; C154-A163 WeakPolarHBondContact O-CA 3.27Å; C154-A163 VanDerWaalsContact O-CB 3.32Å; C154-A163 WeakPolarHBondContact O-CB 3.37Å; L157-A163 HydrophobicContact CD2-CB 4.29Å; A163-A191 HydrophobicContact CB-CB 3.89Å
164	S	96.2	Very high	95.9	Very high	17 Å²	17	48.8 Å²	48.8	12%	0.119	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	134.6	169.4	-68.5	0	0	0	0	112.1	T152 I153 S184	T152-S164 WeakPolarHBondContact CA-O 3.46Å; I153-S164 PolarHBondContact N-O 3.17Å; I153-S164 PolarHBondContact O-N 3.49Å; S164-S184 WeakPolarHBondContact CA-OG 3.23Å
165	T	97.9	Very high	96	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.018	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	131.9	169.5	-50	0	0	0	0	109	I150 L183 S184 L187 F192	I150-T165 HydrophobicContact CG2-CG2 3.66Å; T165-L183 HydrophobicContact CG2-CB 4.32Å; T165-L183 PolarHBondContact O-N 3.24Å; T165-S184 PolarHBondContact N-OG 2.97Å; T165-S184 PolarHBondContact O-N 3.12Å; T165-L187 HydrophobicContact CG2-CD1 4.11Å; T165-F192 HydrophobicContact CG2-CD1 4.1Å
166	M	98.3	Very high	96.2	Very high	18 Å²	18	56.2 Å²	56.2	9%	0.089	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	150.5	-173.9	-57.7	-61.2	-60.8	0	0	109.4	I150 Y151 I153 P180 K181 N182	I150-M166 WeakPolarHBondContact CA-O 3.39Å; I150-M166 WeakPolarHBondContact CG2-O 3.36Å; Y151-M166 HydrophobicContact CD1-CB 3.98Å; Y151-M166 HydrophobicContact CD2-CB 4.2Å; Y151-M166 HydrophobicContact CE1-CB 3.54Å; Y151-M166 HydrophobicContact CE2-CB 3.81Å; Y151-M166 HydrophobicContact CE2-CG 4.14Å; Y151-M166 HydrophobicContact CG-CB 4.29Å; Y151-M166 VanDerWaalsContact CZ-CB 3.46Å; Y151-M166 PolarHBondContact N-O 3.24Å; Y151-M166 PolarHBondContact O-N 3.27Å; I153-M166 HydrophobicContact CD1-CG 4.18Å; I153-M166 HydrophobicContact CD1-SD 4.17Å; I153-M166 HydrophobicContact CG1-CG 4.07Å; I153-M166 HydrophobicContact CG2-CG 4.24Å; M166-P180 HydrophobicContact CE-CB 3.6Å; M166-K181 CarbonylContact C-O 3.59Å; M166-K181 WeakPolarHBondContact CA-O 3.4Å; M166-N182 HydrophobicContact CE-CB 3.92Å; M166-N182 HydrophobicContact SD-CB 3.7Å
167	M	98.4	Very high	96.4	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	152.7	166.3	69.3	176.3	-89.8	0	0	112.1	I148 L149 I150 E169 P180 K181 L183	I148-M167 HydrophobicContact CD1-CE 4.28Å; I148-M167 HydrophobicContact CG1-CE 4.05Å; I148-M167 HydrophobicContact CG2-CB 4.34Å; I148-M167 HydrophobicContact CG2-CE 3.75Å; I148-M167 HydrophobicContact CG2-SD 4.33Å; L149-M167 VanDerWaalsContact O-CA 3.28Å; L149-M167 WeakPolarHBondContact O-CA 3.25Å; I150-M167 HydrophobicContact CG1-CB 4.17Å; M167-E169 HydrophobicContact CE-CB 4.19Å; M167-E169 WeakPolarHBondContact CE-OE2 3.32Å; M167-P180 CarbonylContact O-C 3.54Å; M167-P180 WeakPolarHBondContact O-CA 3.44Å; M167-K181 HydrophobicContact CE-CD 4.32Å; M167-K181 HydrophobicContact CG-CB 3.78Å; M167-K181 HydrophobicContact CG-CD 4.1Å; M167-K181 HydrophobicContact CG-CG 4.19Å; M167-K181 PolarHBondContact N-O 2.91Å; M167-K181 PolarHBondContact O-N 2.88Å; M167-K181 HydrophobicContact SD-CD 3.86Å; M167-L183 HydrophobicContact CB-CD1 4.03Å; M167-L183 HydrophobicContact CB-CG 4.38Å; M167-L183 HydrophobicContact CG-CD1 4.03Å; M167-L183 HydrophobicContact CG-CD2 4.09Å; M167-L183 HydrophobicContact CG-CG 4Å; M167-L183 HydrophobicContact SD-CD1 3.98Å; M167-L183 HydrophobicContact SD-CD2 3.8Å; M167-L183 HydrophobicContact SD-CG 4.19Å
168	V	98.8	Very high	96.7	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	152.6	164.9	-73.4	0	0	0	0	108.2	I123 V124 L149 Y151 W177 S178 P180	I123-V168 HydrophobicContact CG2-CB 4.45Å; I123-V168 HydrophobicContact CG2-CG2 3.61Å; V124-V168 HydrophobicContact CG2-CG1 4.17Å; V124-V168 HydrophobicContact CG2-CG2 4.16Å; L149-V168 HydrophobicContact CB-CG2 4.07Å; L149-V168 HydrophobicContact CD2-CG2 4.3Å; L149-V168 PolarHBondContact N-O 3.27Å; L149-V168 PolarHBondContact O-N 3.28Å; Y151-V168 HydrophobicContact CE1-CG1 4.26Å; Y151-V168 HydrophobicContact CE1-CG2 4.28Å; V168-W177 HydrophobicContact CB-CE3 4.39Å; V168-W177 HydrophobicContact CG2-CE3 4.08Å; V168-S178 WeakPolarHBondContact CG1-O 3.38Å; V168-P180 HydrophobicContact CG1-CB 4.12Å; V168-P180 HydrophobicContact CG1-CG 3.73Å
169	E	98.7	Very high	96.9	Very high	16 Å²	16	58.4 Å²	58.4	8%	0.075	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	140.4	-167.9	-175.3	172	179.5	0	0	111.1	S146 V147 I148 M167 W171 W177 S178	S146-E169 WeakPolarHBondContact CB-OE1 3.41Å; S146-E169 PolarHBondContact OG-OE1 2.91Å; V147-E169 CarbonylContact O-C 3.37Å; V147-E169 VanDerWaalsContact O-CA 3.31Å; V147-E169 WeakPolarHBondContact O-CA 3.29Å; I148-E169 HydrophobicContact CG1-CB 4.19Å; I148-E169 HydrophobicContact CG1-CG 3.62Å; M167-E169 HydrophobicContact CE-CB 4.19Å; M167-E169 WeakPolarHBondContact CE-OE2 3.32Å; E169-W171 HydrophobicContact CB-CH2 4.35Å; E169-W171 HydrophobicContact CB-CZ2 4.01Å; E169-W171 VanDerWaalsContact CD-CE2 3.45Å; E169-W171 VanDerWaalsContact CD-NE1 3.25Å; E169-W171 HydrophobicContact CG-CD2 4.37Å; E169-W171 HydrophobicContact CG-CH2 4.47Å; E169-W171 HydrophobicContact CG-CZ2 3.7Å; E169-W171 PolarHBondContact OE1-NE1 2.81Å; E169-W171 WeakPolarHBondContact OE2-CZ2 3.47Å; E169-W177 CarbonylContact O-C 3.47Å; E169-W177 WeakPolarHBondContact O-CA 3.34Å; E169-S178 PolarHBondContact N-OG 2.83Å; E169-S178 WeakPolarHBondContact O-CB 3.19Å; E169-S178 PolarHBondContact O-N 3.05Å
170	S	98.7	Very high	97	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.007	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	135.5	172.9	176.4	0	0	0	0	110.3	S146 V147 D172 G174 S176	S146-S170 CarbonylContact C-O 3.59Å; S146-S170 VanDerWaalsContact CA-O 3.31Å; S146-S170 WeakPolarHBondContact CA-O 3.45Å; V147-S170 PolarHBondContact N-O 2.69Å; V147-S170 PolarHBondContact O-N 2.85Å; S170-D172 PolarHBondContact OG-N 2.96Å; S170-D172 PolarHBondContact OG-OD1 2.78Å; S170-G174 VanDerWaalsContact OG-CA 3.22Å; S170-G174 WeakPolarHBondContact OG-CA 3.1Å; S170-G174 PolarHBondContact OG-N 3.43Å; S170-S176 WeakPolarHBondContact CA-O 3.41Å; S170-S176 WeakPolarHBondContact CB-O 3.41Å; S170-S176 PolarHBondContact OG-O 3.2Å
171	W	98.1	Very high	97.3	Very high	160 Å²	160	55.4 Å²	55.4	61%	0.606	27%	0.269	S	S	*	.	S	Bend	trans	-114.5	8	172.7	-54.1	-76.2	0	0	0	112.1	S146 E169	S146-W171 VanDerWaalsContact CB-CD1 3.45Å; E169-W171 HydrophobicContact CB-CH2 4.35Å; E169-W171 HydrophobicContact CB-CZ2 4.01Å; E169-W171 VanDerWaalsContact CD-CE2 3.45Å; E169-W171 VanDerWaalsContact CD-NE1 3.25Å; E169-W171 HydrophobicContact CG-CD2 4.37Å; E169-W171 HydrophobicContact CG-CH2 4.47Å; E169-W171 HydrophobicContact CG-CZ2 3.7Å; E169-W171 PolarHBondContact OE1-NE1 2.81Å; E169-W171 WeakPolarHBondContact OE2-CZ2 3.47Å
172	D	97.8	Very high	97.6	Very high	54 Å²	54	49.2 Å²	49.2	29%	0.289	25%	0.245	S	C	.	.	S	Bend	trans	-129.8	42.3	-172.2	68	-11.5	0	0	0	111.5	S170 G174 L175 S176	S170-D172 PolarHBondContact OG-N 2.96Å; S170-D172 PolarHBondContact OG-OD1 2.78Å; D172-G174 VanDerWaalsContact C-N 3.29Å; D172-G174 PolarHBondContact O-N 2.72Å; D172-L175 VanDerWaalsContact O-CB 3.27Å; D172-L175 WeakPolarHBondContact O-CB 3.28Å; D172-L175 WeakPolarHBondContact O-CD1 3.24Å; D172-L175 WeakPolarHBondContact O-CG 3.49Å; D172-L175 PolarHBondContact O-N 3.41Å; D172-L175 PolarHBondContact OD1-N 2.87Å; D172-S176 VanDerWaalsContact CG-N 3.32Å; D172-S176 PolarHBondContact OD1-N 2.88Å; D172-S176 VanDerWaalsContact OD2-CB 3.24Å; D172-S176 WeakPolarHBondContact OD2-CB 3.36Å; D172-S176 PolarHBondContact OD2-N 2.86Å; D172-S176 VanDerWaalsContact OD2-N 3.1Å; D172-S176 PolarHBondContact OD2-OG 2.84Å
173	D	97.1	Very high	97.8	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.027	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	26.4	174.2	-151.8	57.4	0	0	0	115.1	T81 Q83 S85 R109	T81-D173 WeakPolarHBondContact CB-OD1 3.36Å; T81-D173 PolarHBondContact OG1-OD1 3.3Å; Q83-D173 VanDerWaalsContact CB-OD1 3.24Å; Q83-D173 WeakPolarHBondContact CB-OD1 3.29Å; Q83-D173 HydrophobicContact CG-CB 4.49Å; Q83-D173 VanDerWaalsContact CG-OD1 3.24Å; Q83-D173 WeakPolarHBondContact CG-OD1 2.86Å; S85-D173 VanDerWaalsContact CB-OD2 3.24Å; S85-D173 WeakPolarHBondContact CB-OD2 3.46Å; S85-D173 PolarHBondContact OG-OD2 2.89Å; R109-D173 VanDerWaalsContact CD-O 3.23Å; R109-D173 WeakPolarHBondContact CD-O 3.44Å; R109-D173 IonicContact CZ-OD2 3.71Å; R109-D173 PolarHBondContact NE-O 2.89Å; R109-D173 IonicContact NE-OD2 2.8Å; R109-D173 PolarHBondContact NE-OD2 2.78Å; R109-D173 IonicContact NH2-OD2 3.71Å; R109-D173 PolarHBondContact NH2-OD2 3.02Å
174	G	97.4	Very high	98	Very high	7 Å²	7	46.1 Å²	46.1	7%	0.072	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	8.7	-176.8	0	0	0	0	0	114.6	S170 D172 W177	S170-G174 VanDerWaalsContact OG-CA 3.22Å; S170-G174 WeakPolarHBondContact OG-CA 3.1Å; S170-G174 PolarHBondContact OG-N 3.43Å; D172-G174 VanDerWaalsContact C-N 3.29Å; D172-G174 PolarHBondContact O-N 2.72Å; G174-W177 PolarHBondContact O-NE1 2.94Å
175	L	97.3	Very high	98	Very high	117 Å²	117	51.1 Å²	51.1	61%	0.613	25%	0.254	S	S	*	.	S	Bend	trans	-73.3	-39.1	179.7	-67.6	172.7	0	0	0	112.8	D172	D172-L175 VanDerWaalsContact O-CB 3.27Å; D172-L175 WeakPolarHBondContact O-CB 3.28Å; D172-L175 WeakPolarHBondContact O-CD1 3.24Å; D172-L175 WeakPolarHBondContact O-CG 3.49Å; D172-L175 PolarHBondContact O-N 3.41Å; D172-L175 PolarHBondContact OD1-N 2.87Å
176	S	98	Very high	98	Very high	68 Å²	68	54.6 Å²	54.6	48%	0.476	27%	0.27	S	S	.	.	S	Bend	trans	-138.5	165.3	173.2	79.5	0	0	0	0	111.5	S170 D172	S170-S176 WeakPolarHBondContact CA-O 3.41Å; S170-S176 WeakPolarHBondContact CB-O 3.41Å; S170-S176 PolarHBondContact OG-O 3.2Å; D172-S176 VanDerWaalsContact CG-N 3.32Å; D172-S176 PolarHBondContact OD1-N 2.88Å; D172-S176 VanDerWaalsContact OD2-CB 3.24Å; D172-S176 WeakPolarHBondContact OD2-CB 3.36Å; D172-S176 PolarHBondContact OD2-N 2.86Å; D172-S176 VanDerWaalsContact OD2-N 3.1Å; D172-S176 PolarHBondContact OD2-OG 2.84Å
177	W	98.7	Very high	97.9	Very high	47 Å²	47	54.6 Å²	54.6	18%	0.178	27%	0.271	C	S	.	.			trans	-138.9	145.9	-169.2	-65	79.5	0	0	0	110.8	L87 I123 V147 L149 V168 E169 G174	L87-W177 HydrophobicContact CD1-CZ2 4.29Å; I123-W177 HydrophobicContact CB-CG 4.46Å; I123-W177 HydrophobicContact CD1-CD2 4.07Å; I123-W177 HydrophobicContact CD1-CE3 4.46Å; I123-W177 HydrophobicContact CD1-CH2 4.01Å; I123-W177 HydrophobicContact CD1-CZ2 3.57Å; I123-W177 HydrophobicContact CD1-CZ3 4.44Å; I123-W177 HydrophobicContact CG1-CD2 4.25Å; I123-W177 HydrophobicContact CG1-CG 4.38Å; I123-W177 HydrophobicContact CG1-CZ2 4.41Å; I123-W177 HydrophobicContact CG2-CB 3.89Å; I123-W177 HydrophobicContact CG2-CD2 3.59Å; I123-W177 HydrophobicContact CG2-CE3 3.89Å; I123-W177 HydrophobicContact CG2-CG 3.58Å; V147-W177 HydrophobicContact CB-CH2 4.21Å; V147-W177 HydrophobicContact CG1-CH2 3.82Å; V147-W177 HydrophobicContact CG1-CZ3 4.44Å; V147-W177 WeakPolarHBondContact O-CZ3 3.41Å; L149-W177 HydrophobicContact CB-CH2 4.44Å; L149-W177 HydrophobicContact CB-CZ3 3.87Å; V168-W177 HydrophobicContact CB-CE3 4.39Å; V168-W177 HydrophobicContact CG2-CE3 4.08Å; E169-W177 CarbonylContact O-C 3.47Å; E169-W177 WeakPolarHBondContact O-CA 3.34Å; G174-W177 PolarHBondContact O-NE1 2.94Å
178	S	98.6	Very high	97.8	Very high	30 Å²	30	56.1 Å²	56.1	21%	0.21	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-66	164.5	-179.9	73	0	0	0	0	112.6	V168 E169	V168-S178 WeakPolarHBondContact CG1-O 3.38Å; E169-S178 PolarHBondContact N-OG 2.83Å; E169-S178 WeakPolarHBondContact O-CB 3.19Å; E169-S178 PolarHBondContact O-N 3.05Å
179	R	97.9	Very high	97.4	Very high	231 Å²	231	60.3 Å²	60.3	87%	0.872	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-69.9	141.4	170.2	-67	-176.8	-180	-178.5	0.8	109.4	K181	R179-K181 PolarHBondContact O-N 3.03Å; R179-K181 VanDerWaalsContact O-N 3.15Å
180	P	97.9	Very high	96.8	Very high	66 Å²	66	67.3 Å²	67.3	43%	0.429	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-52.3	118.4	-178.6	-30	35	0	0	0	114.8	Y151 M166 M167 V168	Y151-P180 WeakPolarHBondContact OH-CB 3.31Å; Y151-P180 WeakPolarHBondContact OH-CG 3.49Å; M166-P180 HydrophobicContact CE-CB 3.6Å; M167-P180 CarbonylContact O-C 3.54Å; M167-P180 WeakPolarHBondContact O-CA 3.44Å; V168-P180 HydrophobicContact CG1-CB 4.12Å; V168-P180 HydrophobicContact CG1-CG 3.73Å
181	K	98.1	Very high	96.4	Very high	59 Å²	59	68.4 Å²	68.4	26%	0.257	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	122	173	179.6	178.5	178.5	-176.6	0	107.9	M166 M167 R179 L183 G233 E234	M166-K181 CarbonylContact C-O 3.59Å; M166-K181 WeakPolarHBondContact CA-O 3.4Å; M167-K181 HydrophobicContact CE-CD 4.32Å; M167-K181 HydrophobicContact CG-CB 3.78Å; M167-K181 HydrophobicContact CG-CD 4.1Å; M167-K181 HydrophobicContact CG-CG 4.19Å; M167-K181 PolarHBondContact N-O 2.91Å; M167-K181 PolarHBondContact O-N 2.88Å; M167-K181 HydrophobicContact SD-CD 3.86Å; R179-K181 PolarHBondContact O-N 3.03Å; R179-K181 VanDerWaalsContact O-N 3.15Å; K181-L183 HydrophobicContact CG-CD2 4.35Å; K181-L183 PolarHBondContact O-N 3.38Å; K181-G233 PolarHBondContact NZ-O 2.97Å; K181-G233 VanDerWaalsContact NZ-O 3.15Å; K181-E234 PolarHBondContact NZ-O 2.89Å; K181-E234 IonicContact NZ-OE2 2.77Å; K181-E234 PolarHBondContact NZ-OE2 2.97Å
182	N	98.1	Very high	96.3	Very high	60 Å²	60	61.5 Å²	61.5	32%	0.321	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	112.9	179.3	-174.9	-35.2	0	0	0	109.7	M166 S184 V185	M166-N182 HydrophobicContact CE-CB 3.92Å; M166-N182 HydrophobicContact SD-CB 3.7Å; N182-S184 WeakPolarHBondContact OD1-CA 3.45Å; N182-S184 WeakPolarHBondContact OD1-CB 3.22Å; N182-S184 PolarHBondContact OD1-N 2.84Å; N182-V185 WeakPolarHBondContact O-CG2 3.32Å
183	L	98.4	Very high	96.2	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-15.4	-179.2	-64.9	-175.7	0	0	0	113.3	I150 T165 M167 K181 V185 Q186 L187 W236	I150-L183 HydrophobicContact CD1-CD1 4.2Å; I150-L183 HydrophobicContact CG2-CD1 4.25Å; T165-L183 HydrophobicContact CG2-CB 4.32Å; T165-L183 PolarHBondContact O-N 3.24Å; M167-L183 HydrophobicContact CB-CD1 4.03Å; M167-L183 HydrophobicContact CB-CG 4.38Å; M167-L183 HydrophobicContact CG-CD1 4.03Å; M167-L183 HydrophobicContact CG-CD2 4.09Å; M167-L183 HydrophobicContact CG-CG 4Å; M167-L183 HydrophobicContact SD-CD1 3.98Å; M167-L183 HydrophobicContact SD-CD2 3.8Å; M167-L183 HydrophobicContact SD-CG 4.19Å; K181-L183 HydrophobicContact CG-CD2 4.35Å; K181-L183 PolarHBondContact O-N 3.38Å; L183-V185 PolarHBondContact O-N 3.37Å; L183-V185 VanDerWaalsContact O-N 3.09Å; L183-Q186 PolarHBondContact O-N 2.94Å; L183-L187 HydrophobicContact CB-CD1 3.82Å; L183-L187 HydrophobicContact CB-CG 4.4Å; L183-L187 PolarHBondContact O-N 2.71Å; L183-W236 HydrophobicContact CD1-CB 4.36Å; L183-W236 HydrophobicContact CD1-CD2 4.33Å; L183-W236 HydrophobicContact CD1-CG 3.87Å; L183-W236 HydrophobicContact CD2-CB 4.45Å; L183-W236 HydrophobicContact CD2-CG 4.16Å
184	S	97.3	Very high	96.1	Very high	7 Å²	7	59.2 Å²	59.2	5%	0.049	31%	0.314	C	S	.	.	H	α-helix	trans	-65.6	-9.4	175.2	-76.2	0	0	0	0	114	S164 T165 N182 Q186 G188	S164-S184 WeakPolarHBondContact CA-OG 3.23Å; T165-S184 PolarHBondContact N-OG 2.97Å; T165-S184 PolarHBondContact O-N 3.12Å; N182-S184 WeakPolarHBondContact OD1-CA 3.45Å; N182-S184 WeakPolarHBondContact OD1-CB 3.22Å; N182-S184 PolarHBondContact OD1-N 2.84Å; S184-Q186 VanDerWaalsContact C-N 3.3Å; S184-G188 WeakPolarHBondContact CA-O 3.09Å; S184-G188 WeakPolarHBondContact CB-O 3.21Å; S184-G188 CarbonylContact O-C 3.54Å; S184-G188 WeakPolarHBondContact O-CA 3.27Å; S184-G188 PolarHBondContact O-N 2.9Å; S184-G188 PolarHBondContact OG-O 3.12Å
185	V	97.3	Very high	95.8	Very high	122 Å²	122	58.9 Å²	58.9	74%	0.739	31%	0.311	S	S	*	.	H	α-helix	trans	-74	-20.5	167.4	-48.5	0	0	0	0	113.1	N182 L183	N182-V185 WeakPolarHBondContact O-CG2 3.32Å; L183-V185 PolarHBondContact O-N 3.37Å; L183-V185 VanDerWaalsContact O-N 3.09Å
186	Q	97.6	Very high	95.4	Very high	77 Å²	77	53.9 Å²	53.9	36%	0.36	29%	0.285	S	S	.	.	H	α-helix	trans	-104.7	-46.5	176.9	-60.1	173.8	-15.4	0	0	110.9	L183 S184 E234 W236	L183-Q186 PolarHBondContact O-N 2.94Å; S184-Q186 VanDerWaalsContact C-N 3.3Å; Q186-E234 PolarHBondContact NE2-O 3.48Å; Q186-W236 WeakPolarHBondContact CB-O 3.45Å
187	L	96.7	Very high	94.8	Very high	18 Å²	18	50.6 Å²	50.6	9%	0.094	26%	0.263	C	S	.	.	H	α-helix	trans	-82.1	-23.2	-176.2	-62.2	173	0	0	0	114.1	T165 L183 I227 W236 N238	T165-L187 HydrophobicContact CG2-CD1 4.11Å; L183-L187 HydrophobicContact CB-CD1 3.82Å; L183-L187 HydrophobicContact CB-CG 4.4Å; L183-L187 PolarHBondContact O-N 2.71Å; L187-I227 HydrophobicContact CD1-CB 4.46Å; L187-I227 HydrophobicContact CD1-CD1 3.85Å; L187-I227 HydrophobicContact CD1-CG2 3.96Å; L187-I227 HydrophobicContact CD2-CB 4.06Å; L187-I227 HydrophobicContact CD2-CG2 3.66Å; L187-I227 HydrophobicContact CG-CG2 4.43Å; L187-W236 HydrophobicContact CD1-CB 4.48Å; L187-W236 HydrophobicContact CD2-CB 4.06Å; L187-W236 HydrophobicContact CG-CB 4.31Å; L187-N238 PolarHBondContact O-ND2 2.77Å
188	G	94.4	Very high	94.4	Very high	32 Å²	32	49.6 Å²	49.6	33%	0.33	26%	0.259	S	S	.	.			trans	92.4	170.4	-168.3	0	0	0	0	0	113.6	S184 K190	S184-G188 WeakPolarHBondContact CA-O 3.09Å; S184-G188 WeakPolarHBondContact CB-O 3.21Å; S184-G188 CarbonylContact O-C 3.54Å; S184-G188 WeakPolarHBondContact O-CA 3.27Å; S184-G188 PolarHBondContact O-N 2.9Å; S184-G188 PolarHBondContact OG-O 3.12Å; G188-K190 PolarHBondContact O-N 2.78Å
189	V	91.2	Very high	94.3	Very high	90 Å²	90	48.1 Å²	48.1	55%	0.545	25%	0.249	S	C	.	.	S	Bend	trans	-95.2	29.2	-172.9	-61.7	0	0	0	0	114	P162	P162-V189 HydrophobicContact CB-CB 3.89Å; P162-V189 HydrophobicContact CB-CG2 4.25Å; P162-V189 HydrophobicContact CG-CB 3.85Å; P162-V189 HydrophobicContact CG-CG1 3.99Å; P162-V189 HydrophobicContact CG-CG2 4.36Å
190	K	87.1	Confident	94.3	Very high	163 Å²	163	38 Å²	38	71%	0.709	21%	0.212	S	C	*	.	S	Bend	trans	-74.6	147.1	170.6	-70.8	-175.2	179.5	-179.3	0	109.4	G188 F192	G188-K190 PolarHBondContact O-N 2.78Å; K190-F192 PolarHBondContact O-N 2.97Å
191	A	90.1	Very high	94.3	Very high	23 Å²	23	35.4 Å²	35.4	19%	0.19	19%	0.194	C	C	.	.			trans	-69.5	122.9	170.9	0	0	0	0	0	109.5	F155 A163 T218	F155-A191 HydrophobicContact CD2-CB 4.08Å; F155-A191 HydrophobicContact CE2-CB 4.19Å; A163-A191 HydrophobicContact CB-CB 3.89Å; A191-T218 HydrophobicContact CB-CG2 3.51Å
192	F	95.1	Very high	94.3	Very high	15 Å²	15	32.6 Å²	32.6	7%	0.066	18%	0.182	C	C	.	.			trans	-142.7	129.3	178.8	168.2	-113.5	0	0	0	106.6	T152 T165 K190 P194 H216 F225 I227	T152-F192 WeakPolarHBondContact CB-O 3.31Å; T152-F192 VanDerWaalsContact CG2-O 3.28Å; T152-F192 WeakPolarHBondContact CG2-O 3.36Å; T152-F192 PolarHBondContact OG1-O 3.12Å; T165-F192 HydrophobicContact CG2-CD1 4.1Å; K190-F192 PolarHBondContact O-N 2.97Å; F192-P194 HydrophobicContact CD1-CG 4.25Å; F192-P194 HydrophobicContact CE1-CB 4.28Å; F192-P194 HydrophobicContact CE1-CG 3.77Å; F192-P194 HydrophobicContact CZ-CB 4.44Å; F192-P194 HydrophobicContact CZ-CG 4.39Å; F192-H216 CarbonylContact C-O 3.6Å; F192-H216 WeakPolarHBondContact CA-O 3.5Å; F192-F225 HydrophobicContact CD2-CB 4.19Å; F192-F225 HydrophobicContact CE2-CB 4.09Å; F192-F225 WeakPolarHBondContact CE2-O 3.17Å; F192-I227 HydrophobicContact CE1-CD1 3.87Å; F192-I227 HydrophobicContact CE1-CG1 4.1Å; F192-I227 HydrophobicContact CE1-CG2 4.08Å; F192-I227 HydrophobicContact CZ-CG1 4.26Å; F192-I227 HydrophobicContact CZ-CG2 4.19Å
193	A	95.3	Very high	94.3	Very high	9 Å²	9	34.7 Å²	34.7	7%	0.074	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	112.1	174.7	0	0	0	0	0	108.4	F155 G215 H216	F155-A193 HydrophobicContact CD2-CB 3.94Å; F155-A193 HydrophobicContact CE1-CB 4.24Å; F155-A193 HydrophobicContact CE2-CB 3.52Å; F155-A193 HydrophobicContact CG-CB 4.46Å; F155-A193 HydrophobicContact CZ-CB 3.68Å; A193-G215 CarbonylContact O-C 3.39Å; A193-G215 WeakPolarHBondContact O-CA 3.39Å; A193-H216 WeakPolarHBondContact CB-NE2 3.46Å; A193-H216 PolarHBondContact N-O 2.84Å; A193-H216 PolarHBondContact O-CD2 2.58Å; A193-H216 PolarHBondContact O-N 2.99Å
194	P	95.4	Very high	94.2	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.013	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	143.3	179.2	-17.4	27.5	0	0	0	112.1	G136 I150 T152 F192 P196 V213	G136-P194 CarbonylContact C-O 3.55Å; G136-P194 VanDerWaalsContact C-O 3.23Å; G136-P194 WeakPolarHBondContact CA-O 3.37Å; I150-P194 HydrophobicContact CB-CG 4.14Å; I150-P194 HydrophobicContact CG2-CG 3.75Å; T152-P194 WeakPolarHBondContact OG1-CD 3.35Å; F192-P194 HydrophobicContact CD1-CG 4.25Å; F192-P194 HydrophobicContact CE1-CB 4.28Å; F192-P194 HydrophobicContact CE1-CG 3.77Å; F192-P194 HydrophobicContact CZ-CB 4.44Å; F192-P194 HydrophobicContact CZ-CG 4.39Å; P194-P196 WeakPolarHBondContact O-CA 3.04Å; P194-V213 HydrophobicContact CB-CG1 3.81Å
195	G	90.6	Very high	94.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.23	C	C	.	.			trans	60	-116.4	174.3	0	0	0	0	0	114	C214 E260 C261	G195-C214 PolarHBondContact N-O 2.89Å; G195-E260 WeakPolarHBondContact O-CA 3.28Å; G195-C261 CarbonylContact C-O 3.52Å; G195-C261 VanDerWaalsContact CA-O 3.28Å; G195-C261 WeakPolarHBondContact CA-O 3.12Å; G195-C261 PolarHBondContact O-N 3.1Å
196	P	89.2	Confident	94.3	Very high	12 Å²	12	40.1 Å²	40.1	8%	0.078	21%	0.212	C	C	.	.	S	Bend	cis	-73.9	135	-2.8	29.4	-32.8	0	0	0	111.2	I75 L77 G136 P194 A315 Y365	I75-P196 HydrophobicContact CG2-CB 3.39Å; I75-P196 HydrophobicContact CG2-CG 3.83Å; L77-P196 HydrophobicContact CD2-CB 4.16Å; G136-P196 VanDerWaalsContact O-CA 3.29Å; G136-P196 WeakPolarHBondContact O-CA 3.39Å; P194-P196 WeakPolarHBondContact O-CA 3.04Å; P196-A315 HydrophobicContact CG-CB 3.92Å; P196-Y365 HydrophobicContact CG-CD2 3.88Å; P196-Y365 HydrophobicContact CG-CE2 3.8Å
197	G	85.8	Confident	94.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.2	-153	-172.5	0	0	0	0	0	113.4	L77 S137 V138	L77-G197 VanDerWaalsContact CD2-N 3.27Å; S137-G197 VanDerWaalsContact CA-O 3.32Å; S137-G197 WeakPolarHBondContact CA-O 3.43Å; S137-G197 PolarHBondContact OG-O 2.72Å; S137-G197 VanDerWaalsContact OG-O 3.04Å; V138-G197 PolarHBondContact N-O 2.9Å
198	F	89.7	Confident	94.4	Very high	25 Å²	25	43.1 Å²	43.1	11%	0.11	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	135.2	173.1	-163.4	-122.2	0	0	0	111.5	T79 F80 V138 V140 P263	T79-F198 HydrophobicContact CG2-CE2 4.44Å; T79-F198 WeakPolarHBondContact OG1-CE2 3.23Å; T79-F198 VanDerWaalsContact OG1-CZ 3.31Å; T79-F198 WeakPolarHBondContact OG1-CZ 3.33Å; F80-F198 HydrophobicContact CE1-CE1 4.3Å; F80-F198 HydrophobicContact CE1-CZ 4.23Å; V138-F198 HydrophobicContact CG1-CD2 3.75Å; V138-F198 HydrophobicContact CG1-CE2 4.1Å; V138-F198 CarbonylContact O-C 3.37Å; V138-F198 WeakPolarHBondContact O-CA 3.42Å; V138-F198 WeakPolarHBondContact O-CD2 3.47Å; V138-F198 VanDerWaalsContact O-CE2 3.24Å; V138-F198 WeakPolarHBondContact O-CE2 3.36Å; V140-F198 HydrophobicContact CB-CZ 4.06Å; V140-F198 HydrophobicContact CG2-CE2 4.01Å; V140-F198 HydrophobicContact CG2-CZ 3.83Å; F198-P263 WeakPolarHBondContact O-CD 3.29Å
199	G	96.6	Very high	94.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.22	C	C	.	.			trans	-91.1	160.7	164.3	0	0	0	0	0	110.6	S137 V138 V212	S137-G199 PolarHBondContact OG-N 2.91Å; S137-G199 VanDerWaalsContact OG-N 3.14Å; V138-G199 PolarHBondContact O-N 2.78Å; G199-V212 WeakPolarHBondContact CA-O 3.28Å
200	I	97.9	Very high	95	Very high	17 Å²	17	39 Å²	39	9%	0.087	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	147.1	-173.8	60.1	171.3	0	0	0	112.1	K202 L211 V212 E265 I271	I200-K202 HydrophobicContact CD1-CG 4.37Å; I200-L211 CarbonylContact O-C 3.59Å; I200-L211 WeakPolarHBondContact O-CA 3.48Å; I200-V212 HydrophobicContact CG1-CB 3.92Å; I200-V212 PolarHBondContact N-O 2.86Å; I200-V212 PolarHBondContact O-N 3Å; I200-E265 HydrophobicContact CD1-CB 4.06Å; I200-I271 HydrophobicContact CD1-CD1 4.17Å; I200-I271 HydrophobicContact CD1-CG1 4.06Å; I200-I271 HydrophobicContact CD1-CG2 3.82Å
201	Q	98.4	Very high	95.5	Very high	12 Å²	12	31.2 Å²	31.2	6%	0.056	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	133.1	151.2	-175.8	167.2	49.5	0	0	108.1	D141 G209 R210 L211	D141-Q201 VanDerWaalsContact CG-NE2 3.35Å; D141-Q201 PolarHBondContact OD1-NE2 2.67Å; Q201-G209 WeakPolarHBondContact CG-O 3.3Å; Q201-G209 PolarHBondContact NE2-O 2.84Å; Q201-G209 VanDerWaalsContact NE2-O 3.14Å; Q201-R210 WeakPolarHBondContact CA-O 3.12Å; Q201-L211 HydrophobicContact CB-CD2 3.73Å; Q201-L211 HydrophobicContact CG-CD2 3.84Å
202	K	98.3	Very high	95.9	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	16%	0.155	C	C	.	.			trans	-75.5	125.5	176.9	-83.8	-167.2	51.1	55.7	0	111.4	I200 L204 P206 A207 K208 G209 R210 E265 G269 I271	I200-K202 HydrophobicContact CD1-CG 4.37Å; K202-L204 WeakPolarHBondContact CE-O 3.38Å; K202-L204 PolarHBondContact NZ-O 3.22Å; K202-P206 WeakPolarHBondContact CE-O 3.39Å; K202-A207 WeakPolarHBondContact CB-O 3.46Å; K202-K208 CarbonylContact O-C 3.59Å; K202-K208 WeakPolarHBondContact O-CA 3.32Å; K202-G209 PolarHBondContact O-N 2.76Å; K202-R210 PolarHBondContact N-O 2.83Å; K202-E265 WeakPolarHBondContact CA-OE1 3.35Å; K202-E265 WeakPolarHBondContact CB-OE1 3.41Å; K202-E265 IonicContact NZ-OE1 2.73Å; K202-E265 PolarHBondContact NZ-OE1 2.85Å; K202-G269 PolarHBondContact NZ-O 2.6Å; K202-I271 HydrophobicContact CD-CD1 3.99Å; K202-I271 HydrophobicContact CD-CG1 4.13Å
203	R	97	Very high	96.1	Very high	103 Å²	103	29.4 Å²	29.4	39%	0.389	15%	0.152	S	C	.	.			trans	-95.7	-20.4	178.2	-56.4	174.7	177.3	-179.5	0.5	112	E142 K208 E265 N372	E142-R203 IonicContact OE1-CZ 3.81Å; E142-R203 IonicContact OE1-NE 3.2Å; E142-R203 PolarHBondContact OE1-NE 3.2Å; E142-R203 IonicContact OE1-NH2 2.72Å; E142-R203 PolarHBondContact OE1-NH2 2.58Å; E142-R203 IonicContact OE2-CZ 2.76Å; E142-R203 IonicContact OE2-NH2 2.69Å; E142-R203 PolarHBondContact OE2-NH2 2.53Å; R203-K208 VanDerWaalsContact O-CD 3.27Å; R203-K208 WeakPolarHBondContact O-CD 3.38Å; R203-K208 WeakPolarHBondContact O-CE 3.38Å; R203-E265 VanDerWaalsContact CB-OE2 3.32Å; R203-E265 WeakPolarHBondContact CB-OE2 3.25Å; R203-E265 VanDerWaalsContact N-CD 3.34Å; R203-E265 PolarHBondContact N-OE1 2.93Å; R203-E265 VanDerWaalsContact N-OE1 3.11Å; R203-E265 PolarHBondContact N-OE2 3.38Å; R203-N372 VanDerWaalsContact CZ-ND2 3.32Å; R203-N372 PolarHBondContact NH1-ND2 3.33Å; R203-N372 PolarHBondContact NH1-OD1 2.88Å; R203-N372 PolarHBondContact NH2-ND2 3.46Å; R203-N372 PolarHBondContact NH2-OD1 3.02Å
204	L	98.2	Very high	96.2	Very high	66 Å²	66	29 Å²	29	35%	0.346	15%	0.148	S	C	.	.	S	Bend	trans	-119.6	157.7	-176.4	-59.6	177.2	0	0	0	111.9	K202 E265	K202-L204 WeakPolarHBondContact CE-O 3.38Å; K202-L204 PolarHBondContact NZ-O 3.22Å; L204-E265 PolarHBondContact N-OE1 3.2Å
205	D	98.1	Very high	96.3	Very high	121 Å²	121	28.9 Å²	28.9	65%	0.647	15%	0.148	S	C	*	.	S	Bend	trans	-69.5	155.9	172	-89.7	-52.1	0	0	0	112.8	A207 G269	D205-A207 PolarHBondContact OD1-N 3.32Å; D205-G269 WeakPolarHBondContact O-CA 3.14Å
206	P	97.7	Very high	96.6	Very high	56 Å²	56	29.9 Å²	29.9	36%	0.364	15%	0.152	S	C	.	.	S	Bend	cis	-79.8	141.4	-0.5	32	-34.3	0	0	0	112.7	K202	K202-P206 WeakPolarHBondContact CE-O 3.39Å
207	A	98.2	Very high	96.7	Very high	30 Å²	30	29.4 Å²	29.4	25%	0.248	15%	0.15	C	C	.	.	S	Bend	trans	66.4	57.6	179	0	0	0	0	0	114	K202 D205 R210	K202-A207 WeakPolarHBondContact CB-O 3.46Å; D205-A207 PolarHBondContact OD1-N 3.32Å; A207-R210 HydrophobicContact CB-CB 4.47Å; A207-R210 VanDerWaalsContact CB-CZ 3.43Å; A207-R210 WeakPolarHBondContact O-CB 3.44Å
208	K	98.4	Very high	96.5	Very high	128 Å²	128	31.5 Å²	31.5	56%	0.557	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	149.6	159.2	-179.8	175.6	-178.2	172.7	0	111.4	K202 R203 R210	K202-K208 CarbonylContact O-C 3.59Å; K202-K208 WeakPolarHBondContact O-CA 3.32Å; R203-K208 VanDerWaalsContact O-CD 3.27Å; R203-K208 WeakPolarHBondContact O-CD 3.38Å; R203-K208 WeakPolarHBondContact O-CE 3.38Å; K208-R210 PolarHBondContact O-N 2.91Å
209	G	98.4	Very high	95.2	Very high	13 Å²	13	36.1 Å²	36.1	13%	0.134	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	-25.1	-179.2	0	0	0	0	0	114	Q201 K202 L211	Q201-G209 WeakPolarHBondContact CG-O 3.3Å; Q201-G209 PolarHBondContact NE2-O 2.84Å; Q201-G209 VanDerWaalsContact NE2-O 3.14Å; K202-G209 PolarHBondContact O-N 2.76Å; G209-L211 PolarHBondContact O-N 2.95Å
210	R	98.8	Very high	93.7	Very high	23 Å²	23	42.3 Å²	42.3	9%	0.087	22%	0.216	C	C	.	.			trans	-60	131.2	-179.9	176.3	178.7	-70.4	155.8	12	112.3	Q201 K202 A207 K208 V212 S229 D230 G294	Q201-R210 WeakPolarHBondContact CA-O 3.12Å; K202-R210 PolarHBondContact N-O 2.83Å; A207-R210 HydrophobicContact CB-CB 4.47Å; A207-R210 VanDerWaalsContact CB-CZ 3.43Å; A207-R210 WeakPolarHBondContact O-CB 3.44Å; K208-R210 PolarHBondContact O-N 2.91Å; R210-V212 HydrophobicContact CG-CG2 3.86Å; R210-S229 WeakPolarHBondContact CA-O 3.31Å; R210-S229 WeakPolarHBondContact CG-O 3.41Å; R210-D230 IonicContact CZ-OD1 2.86Å; R210-D230 IonicContact NE-OD1 3.89Å; R210-D230 PolarHBondContact NE-OD1 3.04Å; R210-D230 IonicContact NE-OD2 3.33Å; R210-D230 IonicContact NH2-OD1 3.16Å; R210-D230 PolarHBondContact NH2-OD1 3.01Å; R210-G294 WeakPolarHBondContact CD-O 3.11Å; R210-G294 PolarHBondContact NH1-O 3.33Å
211	L	98.9	Very high	92.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	132.8	166.2	-51.2	-176.8	0	0	0	109.8	V139 D141 I148 I200 Q201 G209 L228 S229 W236	V139-L211 HydrophobicContact CG2-CD2 4.23Å; D141-L211 HydrophobicContact CB-CD2 4.13Å; I148-L211 HydrophobicContact CD1-CD1 3.79Å; I200-L211 CarbonylContact O-C 3.59Å; I200-L211 WeakPolarHBondContact O-CA 3.48Å; Q201-L211 HydrophobicContact CB-CD2 3.73Å; Q201-L211 HydrophobicContact CG-CD2 3.84Å; G209-L211 PolarHBondContact O-N 2.95Å; L211-L228 WeakPolarHBondContact O-CA 3.32Å; L211-S229 PolarHBondContact N-O 3.15Å; L211-S229 PolarHBondContact O-N 3.38Å; L211-W236 HydrophobicContact CB-CH2 3.74Å; L211-W236 HydrophobicContact CB-CZ2 4.47Å; L211-W236 HydrophobicContact CB-CZ3 4.33Å; L211-W236 HydrophobicContact CD1-CH2 4.12Å; L211-W236 HydrophobicContact CD1-CZ2 4.07Å
212	V	98.8	Very high	92.2	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	114.4	-179.9	-175.7	0	0	0	0	109.9	G199 I200 R210 L228 I271	G199-V212 WeakPolarHBondContact CA-O 3.28Å; I200-V212 HydrophobicContact CG1-CB 3.92Å; I200-V212 PolarHBondContact N-O 2.86Å; I200-V212 PolarHBondContact O-N 3Å; R210-V212 HydrophobicContact CG-CG2 3.86Å; V212-L228 HydrophobicContact CB-CD2 4.17Å; V212-L228 HydrophobicContact CG1-CD2 3.77Å; V212-L228 HydrophobicContact CG2-CD2 3.81Å; V212-I271 HydrophobicContact CB-CD1 4.34Å; V212-I271 HydrophobicContact CG1-CD1 4.02Å; V212-I271 HydrophobicContact CG2-CD1 3.93Å
213	V	98.6	Very high	92.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	118.8	174	173.7	0	0	0	0	108.3	V139 I150 P194 C226 I227 W236	V139-V213 HydrophobicContact CB-CG2 4.01Å; V139-V213 HydrophobicContact CG1-CG2 3.81Å; I150-V213 HydrophobicContact CD1-CB 4.25Å; I150-V213 HydrophobicContact CD1-CG1 4.34Å; I150-V213 HydrophobicContact CD1-CG2 3.94Å; P194-V213 HydrophobicContact CB-CG1 3.81Å; V213-C226 WeakPolarHBondContact O-CA 3.42Å; V213-I227 HydrophobicContact CB-CD1 4.48Å; V213-I227 HydrophobicContact CB-CG1 3.97Å; V213-I227 HydrophobicContact CG1-CG1 4.39Å; V213-I227 PolarHBondContact N-O 2.83Å; V213-I227 WeakPolarHBondContact O-CG1 3.12Å; V213-I227 PolarHBondContact O-N 2.81Å; V213-W236 HydrophobicContact CB-CZ3 4.35Å; V213-W236 HydrophobicContact CG2-CH2 4.09Å; V213-W236 HydrophobicContact CG2-CZ3 4.15Å
214	C	98.1	Very high	92.1	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	162.7	174.9	-55.3	0	0	0	0	111	G195 F225 C226 P263 I273	G195-C214 PolarHBondContact N-O 2.89Å; C214-F225 CarbonylContact C-O 3.52Å; C214-F225 VanDerWaalsContact CA-O 3.28Å; C214-F225 WeakPolarHBondContact CA-O 3.45Å; C214-C226 HydrophobicContact CB-CB 4.1Å; C214-C226 WeakPolarHBondContact CB-SG 3.38Å; C214-C226 WeakPolarHBondContact SG-CB 3.26Å; C214-C226 CovalentContact SG-SG 2.05Å; C214-C226 PolarHBondContact SG-SG 3.01Å; C214-P263 HydrophobicContact CB-CG 4.4Å; C214-I273 HydrophobicContact CB-CD1 4.36Å
215	G	97.2	Very high	92	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.2	-169.2	-174.3	0	0	0	0	0	111.5	A193 V224 F225	A193-G215 CarbonylContact O-C 3.39Å; A193-G215 WeakPolarHBondContact O-CA 3.39Å; G215-V224 CarbonylContact O-C 3.54Å; G215-V224 WeakPolarHBondContact O-CA 3.28Å; G215-F225 PolarHBondContact N-O 3.46Å; G215-F225 PolarHBondContact O-N 2.86Å; G215-F225 VanDerWaalsContact O-O 3.13Å
216	H	95.9	Very high	92	Very high	20 Å²	20	30 Å²	30	9%	0.093	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	168.2	-171.4	71.9	102.5	0	0	0	114.2	F155 F192 A193 G223 D259	F155-H216 AromaticContact CE1-CE1 3.98Å; F155-H216 AromaticContact CZ-CE1 3.66Å; F192-H216 CarbonylContact C-O 3.6Å; F192-H216 WeakPolarHBondContact CA-O 3.5Å; A193-H216 WeakPolarHBondContact CB-NE2 3.46Å; A193-H216 PolarHBondContact N-O 2.84Å; A193-H216 PolarHBondContact O-CD2 2.58Å; A193-H216 PolarHBondContact O-N 2.99Å; H216-G223 VanDerWaalsContact CA-O 3.25Å; H216-G223 WeakPolarHBondContact CA-O 3.4Å; H216-D259 IonicContact CD2-OD1 3.95Å; H216-D259 IonicContact CE1-OD1 3.95Å; H216-D259 PolarHBondContact CE1-OD1 2.82Å; H216-D259 IonicContact CG-OD1 3.64Å; H216-D259 IonicContact ND1-OD1 3.91Å; H216-D259 PolarHBondContact ND1-OD1 3.01Å; H216-D259 VanDerWaalsContact ND1-OD1 3.09Å; H216-D259 IonicContact NE2-OD1 3.35Å
217	G	91.8	Very high	92.1	Very high	3 Å²	3	27.3 Å²	27.3	3%	0.031	14%	0.144	C	C	.	.			trans	-94.7	-176.8	177.5	0	0	0	0	0	113.6	F155 G223	F155-G217 WeakPolarHBondContact CZ-O 3.46Å; G217-G223 PolarHBondContact N-O 2.83Å
218	T	80.8	Confident	92.1	Very high	44 Å²	44	25.9 Å²	25.9	27%	0.27	13%	0.132	S	C	.	.			trans	-86.2	153.6	165.4	50.5	0	0	0	0	111.1	F155 A191 E220 G221 D222	F155-T218 HydrophobicContact CD1-CG2 4.41Å; F155-T218 HydrophobicContact CD2-CG2 4.02Å; F155-T218 HydrophobicContact CE1-CG2 4.08Å; F155-T218 HydrophobicContact CE2-CG2 3.67Å; F155-T218 HydrophobicContact CG-CG2 4.39Å; F155-T218 HydrophobicContact CZ-CG2 3.71Å; F155-T218 VanDerWaalsContact O-CG2 3.31Å; F155-T218 WeakPolarHBondContact O-CG2 3.34Å; A191-T218 HydrophobicContact CB-CG2 3.51Å; T218-E220 CarbonylContact O-C 3.52Å; T218-E220 PolarHBondContact O-N 2.83Å; T218-G221 CarbonylContact O-C 3.56Å; T218-G221 PolarHBondContact O-N 3.02Å; T218-D222 WeakPolarHBondContact O-CA 3.3Å; T218-D222 WeakPolarHBondContact O-CB 3.41Å; T218-D222 PolarHBondContact O-N 3.08Å
219	I	63	Low	92.1	Very high	121 Å²	121	19.9 Å²	19.9	62%	0.621	11%	0.106	S	C	*	.	S	Bend	trans	-38.9	-38.2	-170.4	-60.3	171.6	0	0	0	115.7	K251	I219-K251 PolarHBondContact O-NZ 3.15Å
220	E	64.7	Low	92.1	Very high	130 Å²	130	23.1 Å²	23.1	61%	0.607	12%	0.121	S	C	*	.	S	Bend	trans	-69.3	-61.8	174.6	-63.8	-174.4	165.8	0	0	111.6	T218 D222 N248 Q249 K251	T218-E220 CarbonylContact O-C 3.52Å; T218-E220 PolarHBondContact O-N 2.83Å; E220-D222 VanDerWaalsContact C-N 3.25Å; E220-D222 PolarHBondContact O-N 3.48Å; E220-N248 CarbonylContact O-C 3.53Å; E220-N248 WeakPolarHBondContact O-CA 3.44Å; E220-N248 PolarHBondContact O-N 3.25Å; E220-Q249 PolarHBondContact O-N 2.92Å; E220-K251 PolarHBondContact O-NZ 2.93Å
221	G	79.8	Confident	92.1	Very high	16 Å²	16	24.5 Å²	24.5	17%	0.165	13%	0.129	C	C	.	.	S	Bend	trans	-88.6	26.6	-177	0	0	0	0	0	114.7	T218 Y247 N248	T218-G221 CarbonylContact O-C 3.56Å; T218-G221 PolarHBondContact O-N 3.02Å; G221-Y247 VanDerWaalsContact C-CE2 3.44Å; G221-Y247 WeakPolarHBondContact O-CE2 3.18Å; G221-Y247 PolarHBondContact O-OH 3.14Å; G221-N248 WeakPolarHBondContact CA-OD1 3.21Å
222	D	86.6	Confident	92.1	Very high	6 Å²	6	28.3 Å²	28.3	3%	0.032	15%	0.147	C	C	.	.			trans	-70.1	164.3	-165.8	-150.1	-9.6	0	0	0	114.1	T218 E220 S244 Y247 N257	T218-D222 WeakPolarHBondContact O-CA 3.3Å; T218-D222 WeakPolarHBondContact O-CB 3.41Å; T218-D222 PolarHBondContact O-N 3.08Å; E220-D222 VanDerWaalsContact C-N 3.25Å; E220-D222 PolarHBondContact O-N 3.48Å; D222-S244 VanDerWaalsContact C-OG 3.29Å; D222-S244 WeakPolarHBondContact O-CB 3.28Å; D222-S244 PolarHBondContact O-N 2.83Å; D222-S244 PolarHBondContact O-OG 3.14Å; D222-Y247 WeakPolarHBondContact O-CE2 3.07Å; D222-N257 PolarHBondContact OD2-ND2 2.87Å; D222-N257 PolarHBondContact OD2-OD1 2.88Å
223	G	94.6	Very high	92.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	137	168.2	-171.5	0	0	0	0	0	111.6	H216 G217 F225 L242 P258	H216-G223 VanDerWaalsContact CA-O 3.25Å; H216-G223 WeakPolarHBondContact CA-O 3.4Å; G217-G223 PolarHBondContact N-O 2.83Å; G223-F225 WeakPolarHBondContact O-CD2 3.46Å; G223-F225 WeakPolarHBondContact O-CE2 3.29Å; G223-L242 CarbonylContact C-O 3.5Å; G223-L242 VanDerWaalsContact CA-O 3.23Å; G223-L242 WeakPolarHBondContact CA-O 3.36Å; G223-P258 CarbonylContact C-O 3.37Å; G223-P258 VanDerWaalsContact C-O 3.29Å; G223-P258 WeakPolarHBondContact CA-O 3.38Å; G223-P258 PolarHBondContact N-O 3.34Å
224	V	97.1	Very high	92	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	134.6	172	166.6	0	0	0	0	110.2	G215 A241 L242 P258 D259 C261 I273 V275 L298	G215-V224 CarbonylContact O-C 3.54Å; G215-V224 WeakPolarHBondContact O-CA 3.28Å; V224-A241 CarbonylContact O-C 3.19Å; V224-A241 WeakPolarHBondContact O-CA 3.27Å; V224-L242 HydrophobicContact CB-CB 4.36Å; V224-L242 PolarHBondContact N-O 2.75Å; V224-L242 PolarHBondContact O-N 2.82Å; V224-P258 HydrophobicContact CG2-CB 4.1Å; V224-D259 VanDerWaalsContact CG2-O 3.27Å; V224-D259 WeakPolarHBondContact CG2-O 3.36Å; V224-C261 HydrophobicContact CG2-CB 3.97Å; V224-I273 HydrophobicContact CG1-CD1 4.49Å; V224-V275 HydrophobicContact CG2-CG1 3.67Å; V224-V275 HydrophobicContact CG2-CG2 4Å; V224-L298 HydrophobicContact CG1-CD1 4.27Å
225	F	97.3	Very high	92	Very high	37 Å²	37	37.9 Å²	37.9	16%	0.162	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.2	175.8	-55	-82.2	0	0	0	109.3	F192 C214 G215 G223 A240 A241 K243 Y247	F192-F225 HydrophobicContact CD2-CB 4.19Å; F192-F225 HydrophobicContact CE2-CB 4.09Å; F192-F225 WeakPolarHBondContact CE2-O 3.17Å; C214-F225 CarbonylContact C-O 3.52Å; C214-F225 VanDerWaalsContact CA-O 3.28Å; C214-F225 WeakPolarHBondContact CA-O 3.45Å; G215-F225 PolarHBondContact N-O 3.46Å; G215-F225 PolarHBondContact O-N 2.86Å; G215-F225 VanDerWaalsContact O-O 3.13Å; G223-F225 WeakPolarHBondContact O-CD2 3.46Å; G223-F225 WeakPolarHBondContact O-CE2 3.29Å; F225-A240 WeakPolarHBondContact CA-O 3.5Å; F225-A241 HydrophobicContact CD1-CB 3.57Å; F225-A241 HydrophobicContact CE1-CB 3.82Å; F225-K243 HydrophobicContact CE1-CG 4.25Å; F225-K243 HydrophobicContact CZ-CG 4.43Å; F225-Y247 HydrophobicContact CZ-CE2 4.16Å
226	C	98.1	Very high	92.1	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.014	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	145	173.2	-57.5	0	0	0	0	111.1	V213 C214 G239 A240	V213-C226 WeakPolarHBondContact O-CA 3.42Å; C214-C226 HydrophobicContact CB-CB 4.1Å; C214-C226 WeakPolarHBondContact CB-SG 3.38Å; C214-C226 WeakPolarHBondContact SG-CB 3.26Å; C214-C226 CovalentContact SG-SG 2.05Å; C214-C226 PolarHBondContact SG-SG 3.01Å; C226-G239 WeakPolarHBondContact O-CA 3.39Å; C226-G239 PolarHBondContact O-N 3.01Å; C226-A240 PolarHBondContact N-O 2.88Å
227	I	98.6	Very high	92.2	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.8	169.8	63.3	168.9	0	0	0	109	I150 L187 F192 V213 W236 R237	I150-I227 HydrophobicContact CD1-CD1 3.83Å; I150-I227 HydrophobicContact CG2-CD1 4.37Å; L187-I227 HydrophobicContact CD1-CB 4.46Å; L187-I227 HydrophobicContact CD1-CD1 3.85Å; L187-I227 HydrophobicContact CD1-CG2 3.96Å; L187-I227 HydrophobicContact CD2-CB 4.06Å; L187-I227 HydrophobicContact CD2-CG2 3.66Å; L187-I227 HydrophobicContact CG-CG2 4.43Å; F192-I227 HydrophobicContact CE1-CD1 3.87Å; F192-I227 HydrophobicContact CE1-CG1 4.1Å; F192-I227 HydrophobicContact CE1-CG2 4.08Å; F192-I227 HydrophobicContact CZ-CG1 4.26Å; F192-I227 HydrophobicContact CZ-CG2 4.19Å; V213-I227 HydrophobicContact CB-CD1 4.48Å; V213-I227 HydrophobicContact CB-CG1 3.97Å; V213-I227 HydrophobicContact CG1-CG1 4.39Å; V213-I227 PolarHBondContact N-O 2.83Å; V213-I227 WeakPolarHBondContact O-CG1 3.12Å; V213-I227 PolarHBondContact O-N 2.81Å; I227-W236 HydrophobicContact CB-CE3 4.21Å; I227-W236 HydrophobicContact CD1-CD2 4.38Å; I227-W236 HydrophobicContact CD1-CE3 3.8Å; I227-W236 HydrophobicContact CD1-CZ3 4.3Å; I227-W236 HydrophobicContact CG1-CE3 3.81Å; I227-W236 HydrophobicContact CG1-CZ3 4.12Å; I227-R237 WeakPolarHBondContact CA-O 3.39Å
228	L	98.9	Very high	92.5	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	141.5	-169.2	-46.4	174	0	0	0	109.5	L211 V212 W236 R237 L296	L211-L228 WeakPolarHBondContact O-CA 3.32Å; V212-L228 HydrophobicContact CB-CD2 4.17Å; V212-L228 HydrophobicContact CG1-CD2 3.77Å; V212-L228 HydrophobicContact CG2-CD2 3.81Å; L228-W236 WeakPolarHBondContact O-CA 3.07Å; L228-R237 HydrophobicContact CB-CG 4.28Å; L228-R237 PolarHBondContact N-O 2.93Å; L228-R237 WeakPolarHBondContact O-CG 3.44Å; L228-R237 PolarHBondContact O-N 3.14Å; L228-L296 HydrophobicContact CD1-CD2 3.66Å; L228-L296 HydrophobicContact CD1-CG 4.45Å
229	S	98.8	Very high	93.4	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.007	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.3	162.6	165.5	0	0	0	0	109	R210 L211 D231 G233 T235	R210-S229 WeakPolarHBondContact CA-O 3.31Å; R210-S229 WeakPolarHBondContact CG-O 3.41Å; L211-S229 PolarHBondContact N-O 3.15Å; L211-S229 PolarHBondContact O-N 3.38Å; S229-D231 PolarHBondContact OG-N 2.79Å; S229-D231 PolarHBondContact OG-OD1 2.05Å; S229-G233 WeakPolarHBondContact OG-CA 3.48Å; S229-G233 PolarHBondContact OG-N 2.77Å; S229-T235 WeakPolarHBondContact CA-O 3.29Å; S229-T235 WeakPolarHBondContact CB-O 3.49Å; S229-T235 PolarHBondContact OG-O 3.21Å
230	D	98.7	Very high	95	Very high	82 Å²	82	39.3 Å²	39.3	44%	0.439	20%	0.203	S	C	.	.	S	Bend	trans	-107.6	12.5	175.6	-57.9	-87.4	0	0	0	111	R210 R237	R210-D230 IonicContact CZ-OD1 2.86Å; R210-D230 IonicContact NE-OD1 3.89Å; R210-D230 PolarHBondContact NE-OD1 3.04Å; R210-D230 IonicContact NE-OD2 3.33Å; R210-D230 IonicContact NH2-OD1 3.16Å; R210-D230 PolarHBondContact NH2-OD1 3.01Å; D230-R237 IonicContact OD1-NH2 2.62Å; D230-R237 IonicContact OD2-CZ 2.74Å; D230-R237 IonicContact OD2-NE 3.42Å; D230-R237 PolarHBondContact OD2-NE 2.81Å; D230-R237 IonicContact OD2-NH2 2.67Å; D230-R237 PolarHBondContact OD2-NH2 2.83Å
231	D	98.6	Very high	96.5	Very high	51 Å²	51	35.4 Å²	35.4	27%	0.273	19%	0.193	S	C	.	.	S	Bend	trans	-146.2	42.9	-167.3	64.4	-8.5	0	0	0	112.3	S229 G233 E234 T235	S229-D231 PolarHBondContact OG-N 2.79Å; S229-D231 PolarHBondContact OG-OD1 2.05Å; D231-G233 VanDerWaalsContact C-N 3.27Å; D231-G233 PolarHBondContact O-N 2.89Å; D231-E234 PolarHBondContact O-N 2.96Å; D231-E234 VanDerWaalsContact O-N 3.13Å; D231-E234 PolarHBondContact OD1-N 2.92Å; D231-T235 VanDerWaalsContact CG-N 3.31Å; D231-T235 PolarHBondContact OD1-N 2.97Å; D231-T235 PolarHBondContact OD1-OG1 2.8Å; D231-T235 VanDerWaalsContact OD2-CB 3.29Å; D231-T235 WeakPolarHBondContact OD2-CB 3.44Å; D231-T235 WeakPolarHBondContact OD2-CG2 3.36Å; D231-T235 PolarHBondContact OD2-N 3.02Å; D231-T235 PolarHBondContact OD2-OG1 2.85Å
232	H	98.2	Very high	97.4	Very high	80 Å²	80	35 Å²	35	37%	0.37	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	35.7	172.7	-53.5	-69.9	0	0	0	114.5	D141 E143 T144	D141-H232 IonicContact OD1-ND1 3.65Å; D141-H232 WeakPolarHBondContact OD2-CA 3.5Å; D141-H232 VanDerWaalsContact OD2-CB 3.25Å; D141-H232 WeakPolarHBondContact OD2-CB 3.28Å; D141-H232 IonicContact OD2-CE1 2.81Å; D141-H232 IonicContact OD2-CG 2.69Å; D141-H232 IonicContact OD2-ND1 3.35Å; D141-H232 PolarHBondContact OD2-ND1 2.86Å; E143-H232 IonicContact OE2-CE1 2.76Å; T144-H232 HydrophobicContact CG2-CB 3.79Å; T144-H232 WeakPolarHBondContact CG2-ND1 3.41Å
233	G	97.9	Very high	97.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	3.1	178.1	0	0	0	0	0	115.3	K181 S229 D231 W236	K181-G233 PolarHBondContact NZ-O 2.97Å; K181-G233 VanDerWaalsContact NZ-O 3.15Å; S229-G233 WeakPolarHBondContact OG-CA 3.48Å; S229-G233 PolarHBondContact OG-N 2.77Å; D231-G233 VanDerWaalsContact C-N 3.27Å; D231-G233 PolarHBondContact O-N 2.89Å; G233-W236 PolarHBondContact O-NE1 2.78Å
234	E	97.9	Very high	97.8	Very high	126 Å²	126	39.9 Å²	39.9	59%	0.589	21%	0.208	S	C	*	.	S	Bend	trans	-72.9	-42.9	-178.9	-79.9	-69.2	-158.6	0	0	113.3	K181 Q186 D231	K181-E234 PolarHBondContact NZ-O 2.89Å; K181-E234 IonicContact NZ-OE2 2.77Å; K181-E234 PolarHBondContact NZ-OE2 2.97Å; Q186-E234 PolarHBondContact NE2-O 3.48Å; D231-E234 PolarHBondContact O-N 2.96Å; D231-E234 VanDerWaalsContact O-N 3.13Å; D231-E234 PolarHBondContact OD1-N 2.92Å
235	T	98.4	Very high	97.7	Very high	75 Å²	75	45.2 Å²	45.2	46%	0.46	24%	0.236	S	C	.	.	S	Bend	trans	-125.4	138	171.3	72.5	0	0	0	0	112.9	S229 D231	S229-T235 WeakPolarHBondContact CA-O 3.29Å; S229-T235 WeakPolarHBondContact CB-O 3.49Å; S229-T235 PolarHBondContact OG-O 3.21Å; D231-T235 VanDerWaalsContact CG-N 3.31Å; D231-T235 PolarHBondContact OD1-N 2.97Å; D231-T235 PolarHBondContact OD1-OG1 2.8Å; D231-T235 VanDerWaalsContact OD2-CB 3.29Å; D231-T235 WeakPolarHBondContact OD2-CB 3.44Å; D231-T235 WeakPolarHBondContact OD2-CG2 3.36Å; D231-T235 PolarHBondContact OD2-N 3.02Å; D231-T235 PolarHBondContact OD2-OG1 2.85Å
236	W	98.7	Very high	97.6	Very high	5 Å²	5	45.1 Å²	45.1	2%	0.019	24%	0.239	C	C	.	.			trans	-118.3	132.5	-179.7	-68.3	82.9	0	0	0	110.5	V139 I148 I150 L183 Q186 L187 L211 V213 I227 L228 G233	V139-W236 HydrophobicContact CG1-CH2 4.37Å; I148-W236 HydrophobicContact CD1-CZ2 4.45Å; I148-W236 HydrophobicContact CG2-CZ2 4.36Å; I150-W236 HydrophobicContact CD1-CD2 4.27Å; I150-W236 HydrophobicContact CD1-CE3 4.22Å; I150-W236 HydrophobicContact CD1-CH2 3.74Å; I150-W236 HydrophobicContact CD1-CZ2 3.79Å; I150-W236 HydrophobicContact CD1-CZ3 3.96Å; L183-W236 HydrophobicContact CD1-CB 4.36Å; L183-W236 HydrophobicContact CD1-CD2 4.33Å; L183-W236 HydrophobicContact CD1-CG 3.87Å; L183-W236 HydrophobicContact CD2-CB 4.45Å; L183-W236 HydrophobicContact CD2-CG 4.16Å; Q186-W236 WeakPolarHBondContact CB-O 3.45Å; L187-W236 HydrophobicContact CD1-CB 4.48Å; L187-W236 HydrophobicContact CD2-CB 4.06Å; L187-W236 HydrophobicContact CG-CB 4.31Å; L211-W236 HydrophobicContact CB-CH2 3.74Å; L211-W236 HydrophobicContact CB-CZ2 4.47Å; L211-W236 HydrophobicContact CB-CZ3 4.33Å; L211-W236 HydrophobicContact CD1-CH2 4.12Å; L211-W236 HydrophobicContact CD1-CZ2 4.07Å; V213-W236 HydrophobicContact CB-CZ3 4.35Å; V213-W236 HydrophobicContact CG2-CH2 4.09Å; V213-W236 HydrophobicContact CG2-CZ3 4.15Å; I227-W236 HydrophobicContact CB-CE3 4.21Å; I227-W236 HydrophobicContact CD1-CD2 4.38Å; I227-W236 HydrophobicContact CD1-CE3 3.8Å; I227-W236 HydrophobicContact CD1-CZ3 4.3Å; I227-W236 HydrophobicContact CG1-CE3 3.81Å; I227-W236 HydrophobicContact CG1-CZ3 4.12Å; L228-W236 WeakPolarHBondContact O-CA 3.07Å; G233-W236 PolarHBondContact O-NE1 2.78Å
237	R	98.5	Very high	97.3	Very high	87 Å²	87	48 Å²	48	33%	0.328	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	149.2	179	61.2	-173.9	-178.1	79.3	5.2	110.9	I227 L228 D230 G239	I227-R237 WeakPolarHBondContact CA-O 3.39Å; L228-R237 HydrophobicContact CB-CG 4.28Å; L228-R237 PolarHBondContact N-O 2.93Å; L228-R237 WeakPolarHBondContact O-CG 3.44Å; L228-R237 PolarHBondContact O-N 3.14Å; D230-R237 IonicContact OD1-NH2 2.62Å; D230-R237 IonicContact OD2-CZ 2.74Å; D230-R237 IonicContact OD2-NE 3.42Å; D230-R237 PolarHBondContact OD2-NE 2.81Å; D230-R237 IonicContact OD2-NH2 2.67Å; D230-R237 PolarHBondContact OD2-NH2 2.83Å; R237-G239 PolarHBondContact O-N 3.02Å
238	N	98.3	Very high	96.9	Very high	101 Å²	101	53.1 Å²	53.1	54%	0.54	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	132.6	171.8	-64.8	-71.1	0	0	0	109.9	L187	L187-N238 PolarHBondContact O-ND2 2.77Å
239	G	97.9	Very high	96.5	Very high	22 Å²	22	58.2 Å²	58.2	23%	0.227	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-131.1	173.1	0	0	0	0	0	111	C226 R237	C226-G239 WeakPolarHBondContact O-CA 3.39Å; C226-G239 PolarHBondContact O-N 3.01Å; R237-G239 PolarHBondContact O-N 3.02Å
240	A	97.6	Very high	96	Very high	3 Å²	3	62.9 Å²	62.9	3%	0.025	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	156.3	-175.8	0	0	0	0	0	114.6	F225 C226 G295 L296 L298	F225-A240 WeakPolarHBondContact CA-O 3.5Å; C226-A240 PolarHBondContact N-O 2.88Å; A240-G295 WeakPolarHBondContact CB-O 3.34Å; A240-G295 PolarHBondContact N-O 2.91Å; A240-L296 VanDerWaalsContact CA-O 3.29Å; A240-L296 WeakPolarHBondContact CA-O 3.46Å; A240-L296 PolarHBondContact N-O 3.47Å; A240-L298 HydrophobicContact CB-CB 4.28Å; A240-L298 HydrophobicContact CB-CD1 3.81Å; A240-L298 HydrophobicContact CB-CG 3.61Å
241	A	96.9	Very high	95.7	Very high	48 Å²	48	60.6 Å²	60.6	40%	0.397	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	112.5	178.8	0	0	0	0	0	111.9	V224 F225	V224-A241 CarbonylContact O-C 3.19Å; V224-A241 WeakPolarHBondContact O-CA 3.27Å; F225-A241 HydrophobicContact CD1-CB 3.57Å; F225-A241 HydrophobicContact CE1-CB 3.82Å
242	L	96.9	Very high	95.4	Very high	9 Å²	9	65.4 Å²	65.4	5%	0.047	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	92	169.9	176.4	66.6	0	0	0	108.7	G223 V224 F256 P258 V289 L298 L303	G223-L242 CarbonylContact C-O 3.5Å; G223-L242 VanDerWaalsContact CA-O 3.23Å; G223-L242 WeakPolarHBondContact CA-O 3.36Å; V224-L242 HydrophobicContact CB-CB 4.36Å; V224-L242 PolarHBondContact N-O 2.75Å; V224-L242 PolarHBondContact O-N 2.82Å; L242-F256 HydrophobicContact CD1-CE1 4.17Å; L242-F256 HydrophobicContact CD1-CZ 4.12Å; L242-F256 HydrophobicContact CD2-CZ 4.23Å; L242-F256 HydrophobicContact CG-CE1 4.35Å; L242-F256 HydrophobicContact CG-CZ 4.24Å; L242-P258 HydrophobicContact CD2-CB 4.1Å; L242-P258 HydrophobicContact CD2-CG 4.08Å; L242-P258 HydrophobicContact CG-CG 3.97Å; L242-V289 HydrophobicContact CD2-CB 4.31Å; L242-V289 HydrophobicContact CD2-CG1 3.9Å; L242-V289 HydrophobicContact CD2-CG2 4.48Å; L242-L298 HydrophobicContact CB-CB 4.38Å; L242-L298 HydrophobicContact CB-CD1 4.07Å; L242-L303 HydrophobicContact CD1-CD1 3.78Å; L242-L303 HydrophobicContact CD2-CD1 3.61Å; L242-L303 HydrophobicContact CG-CD1 4.31Å
243	K	96	Very high	95.2	Very high	106 Å²	106	65.6 Å²	65.6	46%	0.461	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	145.2	-174.2	-69.7	172.6	-176.2	163.5	0	112.5	F225 Y247	F225-K243 HydrophobicContact CE1-CG 4.25Å; F225-K243 HydrophobicContact CZ-CG 4.43Å; K243-Y247 HydrophobicContact CB-CD2 3.63Å; K243-Y247 HydrophobicContact CB-CE2 3.95Å; K243-Y247 HydrophobicContact CB-CG 4.18Å; K243-Y247 HydrophobicContact CD-CD1 4.02Å; K243-Y247 HydrophobicContact CD-CD2 4.02Å; K243-Y247 HydrophobicContact CD-CE1 3.97Å; K243-Y247 HydrophobicContact CD-CE2 3.99Å; K243-Y247 HydrophobicContact CD-CG 4.04Å; K243-Y247 HydrophobicContact CG-CD2 3.83Å; K243-Y247 HydrophobicContact CG-CE2 3.67Å; K243-Y247 HydrophobicContact CG-CG 4.35Å
244	S	95.4	Very high	95	Very high	1 Å²	1	69.9 Å²	69.9	1%	0.007	37%	0.371	C	S	.	.			trans	-61.7	155.1	166.1	62.7	0	0	0	0	112.6	D222 Y247 K251 F256 N257	D222-S244 VanDerWaalsContact C-OG 3.29Å; D222-S244 WeakPolarHBondContact O-CB 3.28Å; D222-S244 PolarHBondContact O-N 2.83Å; D222-S244 PolarHBondContact O-OG 3.14Å; S244-Y247 WeakPolarHBondContact O-CA 3.42Å; S244-Y247 WeakPolarHBondContact O-CB 3.29Å; S244-Y247 PolarHBondContact O-N 3.31Å; S244-K251 WeakPolarHBondContact OG-CE 3.46Å; S244-K251 PolarHBondContact OG-NZ 3.45Å; S244-K251 VanDerWaalsContact OG-NZ 3.13Å; S244-F256 CarbonylContact C-O 3.56Å; S244-F256 WeakPolarHBondContact CA-O 3.43Å; S244-F256 WeakPolarHBondContact CB-O 3.48Å; S244-N257 WeakPolarHBondContact CB-OD1 3.33Å
245	I	94.9	Very high	94.9	Very high	113 Å²	113	65.5 Å²	65.5	58%	0.579	35%	0.352	S	S	*	.	B	Isolated β-bridge	trans	-128.8	117.5	177.3	-55	168.9	0	0	0	107.8	F256	I245-F256 HydrophobicContact CB-CB 4.21Å; I245-F256 HydrophobicContact CB-CD1 4.39Å; I245-F256 HydrophobicContact CD1-CD1 4.07Å; I245-F256 HydrophobicContact CG1-CD1 4.02Å; I245-F256 PolarHBondContact N-O 2.9Å; I245-F256 PolarHBondContact O-N 2.87Å; I245-F256 VanDerWaalsContact O-N 3.14Å
246	P	94.1	Very high	94.9	Very high	35 Å²	35	62.6 Å²	62.6	23%	0.227	33%	0.333	C	S	.	.	S	Bend	cis	-77.8	134.3	2.4	31.4	-34.9	0	0	0	113.8	Q249 K251 D255	P246-Q249 HydrophobicContact CB-CB 4.06Å; P246-Q249 HydrophobicContact CG-CB 3.99Å; P246-K251 WeakPolarHBondContact O-CE 3.34Å; P246-K251 PolarHBondContact O-NZ 2.88Å; P246-D255 WeakPolarHBondContact CD-OD2 3.5Å
247	Y	93	Very high	94.8	Very high	63 Å²	63	62.5 Å²	62.5	25%	0.247	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	149.6	178.1	-164.9	-115.8	0	0	0	112.4	G221 D222 F225 K243 S244 Q249	G221-Y247 VanDerWaalsContact C-CE2 3.44Å; G221-Y247 WeakPolarHBondContact O-CE2 3.18Å; G221-Y247 PolarHBondContact O-OH 3.14Å; D222-Y247 WeakPolarHBondContact O-CE2 3.07Å; F225-Y247 HydrophobicContact CZ-CE2 4.16Å; K243-Y247 HydrophobicContact CB-CD2 3.63Å; K243-Y247 HydrophobicContact CB-CE2 3.95Å; K243-Y247 HydrophobicContact CB-CG 4.18Å; K243-Y247 HydrophobicContact CD-CD1 4.02Å; K243-Y247 HydrophobicContact CD-CD2 4.02Å; K243-Y247 HydrophobicContact CD-CE1 3.97Å; K243-Y247 HydrophobicContact CD-CE2 3.99Å; K243-Y247 HydrophobicContact CD-CG 4.04Å; K243-Y247 HydrophobicContact CG-CD2 3.83Å; K243-Y247 HydrophobicContact CG-CE2 3.67Å; K243-Y247 HydrophobicContact CG-CG 4.35Å; S244-Y247 WeakPolarHBondContact O-CA 3.42Å; S244-Y247 WeakPolarHBondContact O-CB 3.29Å; S244-Y247 PolarHBondContact O-N 3.31Å; Y247-Q249 PolarHBondContact O-N 3.02Å; Y247-Q249 PolarHBondContact O-NE2 2.98Å
248	N	89.6	Confident	94.7	Very high	107 Å²	107	58.3 Å²	58.3	57%	0.572	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	32.5	-176.9	-73	-3.5	0	0	0	113.8	E220 G221	E220-N248 CarbonylContact O-C 3.53Å; E220-N248 WeakPolarHBondContact O-CA 3.44Å; E220-N248 PolarHBondContact O-N 3.25Å; G221-N248 WeakPolarHBondContact CA-OD1 3.21Å
249	Q	89.9	Confident	94.6	Very high	107 Å²	107	54 Å²	54	50%	0.5	29%	0.294	S	S	.	.	S	Bend	trans	-141.9	148	-176	-79.1	167.2	84.6	0	0	110.9	E220 P246 Y247 K251	E220-Q249 PolarHBondContact O-N 2.92Å; P246-Q249 HydrophobicContact CB-CB 4.06Å; P246-Q249 HydrophobicContact CG-CB 3.99Å; Y247-Q249 PolarHBondContact O-N 3.02Å; Y247-Q249 PolarHBondContact O-NE2 2.98Å; Q249-K251 PolarHBondContact O-N 2.04Å; Q249-K251 PolarHBondContact O-NZ 2.86Å
250	P	89.4	Confident	94.6	Very high	99 Å²	99	53.7 Å²	53.7	64%	0.643	29%	0.286	S	S	*	.			trans	-59.6	132	173.3	-23.1	33.9	0	0	0	111.7
251	K	91.1	Very high	94.5	Very high	34 Å²	34	53.7 Å²	53.7	15%	0.148	29%	0.286	C	S	.	.			trans	-85.1	158.9	-177.2	-52.2	-56.9	-175.1	-65.3	0	112.9	I219 E220 S244 P246 Q249 D255 N257 N279	I219-K251 PolarHBondContact O-NZ 3.15Å; E220-K251 PolarHBondContact O-NZ 2.93Å; S244-K251 WeakPolarHBondContact OG-CE 3.46Å; S244-K251 PolarHBondContact OG-NZ 3.45Å; S244-K251 VanDerWaalsContact OG-NZ 3.13Å; P246-K251 WeakPolarHBondContact O-CE 3.34Å; P246-K251 PolarHBondContact O-NZ 2.88Å; Q249-K251 PolarHBondContact O-N 2.04Å; Q249-K251 PolarHBondContact O-NZ 2.86Å; K251-D255 WeakPolarHBondContact CA-OD2 3.37Å; K251-D255 HydrophobicContact CB-CB 4.35Å; K251-D255 HydrophobicContact CD-CB 4.33Å; K251-N257 WeakPolarHBondContact CE-OD1 3.46Å; K251-N257 WeakPolarHBondContact CG-OD1 3.11Å; K251-N279 WeakPolarHBondContact CB-ND2 3.26Å
252	K	92.8	Very high	94.5	Very high	152 Å²	152	51.6 Å²	51.6	66%	0.661	27%	0.268	S	S	*	.			trans	-116.7	165.2	170.6	-61.8	168.8	-173.2	167.9	0	109.5	Q254 D255 N279	K252-Q254 PolarHBondContact O-N 2.99Å; K252-D255 PolarHBondContact N-OD2 2.98Å; K252-D255 WeakPolarHBondContact O-CB 3.48Å; K252-D255 PolarHBondContact O-N 2.83Å; K252-D255 VanDerWaalsContact O-N 3.14Å; K252-N279 WeakPolarHBondContact O-CB 3.5Å
253	A	93.1	Very high	94.6	Very high	85 Å²	85	51.3 Å²	51.3	70%	0.702	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	139.9	163.5	0	0	0	0	0	109.4	D255	A253-D255 VanDerWaalsContact C-N 3.27Å; A253-D255 PolarHBondContact O-N 2.88Å
254	Q	95	Very high	94.6	Very high	90 Å²	90	46.6 Å²	46.6	42%	0.421	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	13.3	-173.5	-54.9	-65.3	-39	0	0	116.2	K252 N279 N280 Y281	K252-Q254 PolarHBondContact O-N 2.99Å; Q254-N279 PolarHBondContact N-O 2.9Å; Q254-N280 VanDerWaalsContact CD-O 3.26Å; Q254-N280 PolarHBondContact NE2-O 3.16Å; Q254-N280 PolarHBondContact OE1-O 3.2Å; Q254-N280 VanDerWaalsContact OE1-O 3.06Å; Q254-Y281 VanDerWaalsContact O-CD2 3.26Å; Q254-Y281 WeakPolarHBondContact O-CD2 3.46Å
255	D	96.4	Very high	94.8	Very high	34 Å²	34	47.4 Å²	47.4	18%	0.182	25%	0.251	C	S	.	.	S	Bend	trans	-79.5	149.2	160	-77.4	-18.6	0	0	0	110.4	P246 K251 K252 A253 N257 N279	P246-D255 WeakPolarHBondContact CD-OD2 3.5Å; K251-D255 WeakPolarHBondContact CA-OD2 3.37Å; K251-D255 HydrophobicContact CB-CB 4.35Å; K251-D255 HydrophobicContact CD-CB 4.33Å; K252-D255 PolarHBondContact N-OD2 2.98Å; K252-D255 WeakPolarHBondContact O-CB 3.48Å; K252-D255 PolarHBondContact O-N 2.83Å; K252-D255 VanDerWaalsContact O-N 3.14Å; A253-D255 VanDerWaalsContact C-N 3.27Å; A253-D255 PolarHBondContact O-N 2.88Å; D255-N257 PolarHBondContact O-N 3.09Å; D255-N257 VanDerWaalsContact O-N 3.14Å; D255-N279 WeakPolarHBondContact O-CB 3.14Å
256	F	96.8	Very high	94.9	Very high	14 Å²	14	42 Å²	42	6%	0.061	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-75.6	107.4	179.7	174.9	-104.6	0	0	0	109.8	L242 S244 I245 P258 Y281 I287 L303 F305	L242-F256 HydrophobicContact CD1-CE1 4.17Å; L242-F256 HydrophobicContact CD1-CZ 4.12Å; L242-F256 HydrophobicContact CD2-CZ 4.23Å; L242-F256 HydrophobicContact CG-CE1 4.35Å; L242-F256 HydrophobicContact CG-CZ 4.24Å; S244-F256 CarbonylContact C-O 3.56Å; S244-F256 WeakPolarHBondContact CA-O 3.43Å; S244-F256 WeakPolarHBondContact CB-O 3.48Å; I245-F256 HydrophobicContact CB-CB 4.21Å; I245-F256 HydrophobicContact CB-CD1 4.39Å; I245-F256 HydrophobicContact CD1-CD1 4.07Å; I245-F256 HydrophobicContact CG1-CD1 4.02Å; I245-F256 PolarHBondContact N-O 2.9Å; I245-F256 PolarHBondContact O-N 2.87Å; I245-F256 VanDerWaalsContact O-N 3.14Å; F256-P258 HydrophobicContact CD1-CG 4.37Å; F256-P258 HydrophobicContact CE1-CG 3.64Å; F256-P258 HydrophobicContact CZ-CB 4.33Å; F256-P258 HydrophobicContact CZ-CG 3.72Å; F256-Y281 HydrophobicContact CB-CD1 4.42Å; F256-Y281 HydrophobicContact CB-CD2 3.68Å; F256-Y281 HydrophobicContact CB-CE1 4.49Å; F256-Y281 HydrophobicContact CB-CE2 3.81Å; F256-Y281 HydrophobicContact CB-CG 4.01Å; F256-Y281 AromaticContact CD2-CD1 3.95Å; F256-Y281 HydrophobicContact CD2-CD1 3.95Å; F256-Y281 HydrophobicContact CD2-CE1 4.27Å; F256-Y281 HydrophobicContact CD2-CG 4.12Å; F256-Y281 VanDerWaalsContact N-CD2 3.35Å; F256-I287 HydrophobicContact CD2-CD1 4.35Å; F256-I287 HydrophobicContact CE2-CD1 3.76Å; F256-I287 HydrophobicContact CZ-CD1 4.49Å; F256-L303 HydrophobicContact CE2-CD1 4.09Å; F256-L303 HydrophobicContact CZ-CD1 3.67Å; F256-F305 HydrophobicContact CD2-CZ 4.05Å; F256-F305 HydrophobicContact CE2-CE1 4.43Å; F256-F305 AromaticContact CE2-CZ 3.93Å; F256-F305 HydrophobicContact CE2-CZ 3.93Å
257	N	96.4	Very high	95	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.011	24%	0.239	C	C	.	.			trans	-134.5	86.8	-176.3	-155.3	76.2	0	0	0	111.4	D222 S244 K251 D255 Q278 N279	D222-N257 PolarHBondContact OD2-ND2 2.87Å; D222-N257 PolarHBondContact OD2-OD1 2.88Å; S244-N257 WeakPolarHBondContact CB-OD1 3.33Å; K251-N257 WeakPolarHBondContact CE-OD1 3.46Å; K251-N257 WeakPolarHBondContact CG-OD1 3.11Å; D255-N257 PolarHBondContact O-N 3.09Å; D255-N257 VanDerWaalsContact O-N 3.14Å; N257-Q278 HydrophobicContact CB-CB 4.2Å; N257-Q278 WeakPolarHBondContact ND2-CG 3.22Å; N257-Q278 WeakPolarHBondContact O-CB 3.42Å; N257-Q278 PolarHBondContact O-N 2.84Å; N257-N279 HydrophobicContact CB-CB 4.43Å; N257-N279 WeakPolarHBondContact CB-ND2 3.16Å
258	P	96.7	Very high	95.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	127.8	169.7	27.5	-26.5	0	0	0	109.6	G223 V224 L242 F256 V275 I287	G223-P258 CarbonylContact C-O 3.37Å; G223-P258 VanDerWaalsContact C-O 3.29Å; G223-P258 WeakPolarHBondContact CA-O 3.38Å; G223-P258 PolarHBondContact N-O 3.34Å; V224-P258 HydrophobicContact CG2-CB 4.1Å; L242-P258 HydrophobicContact CD2-CB 4.1Å; L242-P258 HydrophobicContact CD2-CG 4.08Å; L242-P258 HydrophobicContact CG-CG 3.97Å; F256-P258 HydrophobicContact CD1-CG 4.37Å; F256-P258 HydrophobicContact CE1-CG 3.64Å; F256-P258 HydrophobicContact CZ-CB 4.33Å; F256-P258 HydrophobicContact CZ-CG 3.72Å; P258-V275 HydrophobicContact CB-CG1 3.5Å; P258-V275 VanDerWaalsContact CB-CG1 3.5Å; P258-I287 HydrophobicContact CB-CD1 4.17Å
259	D	96.1	Very high	95.6	Very high	9 Å²	9	42.6 Å²	42.6	5%	0.048	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	-148.4	-168	-169	-14	0	0	0	108.6	H216 V224 C261 R276 Q278	H216-D259 IonicContact CD2-OD1 3.95Å; H216-D259 IonicContact CE1-OD1 3.95Å; H216-D259 PolarHBondContact CE1-OD1 2.82Å; H216-D259 IonicContact CG-OD1 3.64Å; H216-D259 IonicContact ND1-OD1 3.91Å; H216-D259 PolarHBondContact ND1-OD1 3.01Å; H216-D259 VanDerWaalsContact ND1-OD1 3.09Å; H216-D259 IonicContact NE2-OD1 3.35Å; V224-D259 VanDerWaalsContact CG2-O 3.27Å; V224-D259 WeakPolarHBondContact CG2-O 3.36Å; D259-C261 PolarHBondContact O-N 2.89Å; D259-R276 HydrophobicContact CB-CB 4.22Å; D259-R276 HydrophobicContact CB-CG 4.24Å; D259-R276 PolarHBondContact N-O 2.89Å; D259-R276 VanDerWaalsContact N-O 3.07Å; D259-R276 IonicContact OD2-CZ 3.17Å; D259-R276 IonicContact OD2-NE 2.69Å; D259-R276 IonicContact OD2-NH2 2.8Å; D259-Q278 HydrophobicContact CB-CB 3.64Å; D259-Q278 HydrophobicContact CB-CG 4.35Å; D259-Q278 WeakPolarHBondContact OD2-CB 3.37Å; D259-Q278 WeakPolarHBondContact OD2-CG 3.18Å; D259-Q278 PolarHBondContact OD2-OE1 2.69Å
260	E	97.4	Very high	96	Very high	16 Å²	16	37.9 Å²	37.9	8%	0.075	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-28.4	127	174.9	-64.9	174.8	171.4	0	0	115	G195 R276 A315 Y365	G195-E260 WeakPolarHBondContact O-CA 3.28Å; E260-R276 HydrophobicContact CB-CB 4.07Å; E260-R276 VanDerWaalsContact O-CB 3.22Å; E260-R276 WeakPolarHBondContact O-CB 3.22Å; E260-R276 PolarHBondContact O-N 3.46Å; E260-R276 IonicContact OE1-NH1 3.67Å; E260-R276 PolarHBondContact OE1-NH1 2.95Å; E260-R276 VanDerWaalsContact OE2-CD 3.26Å; E260-R276 WeakPolarHBondContact OE2-CD 3.45Å; E260-R276 IonicContact OE2-CZ 2.71Å; E260-R276 IonicContact OE2-NE 3.11Å; E260-R276 IonicContact OE2-NH1 2.75Å; E260-R276 PolarHBondContact OE2-NH1 3.2Å; E260-A315 HydrophobicContact CB-CB 4.33Å; E260-A315 WeakPolarHBondContact OE2-CA 3.48Å; E260-A315 WeakPolarHBondContact OE2-CB 3.46Å; E260-A315 PolarHBondContact OE2-N 2.6Å; E260-Y365 WeakPolarHBondContact OE1-CE2 3.25Å; E260-Y365 VanDerWaalsContact OE1-CZ 3.22Å; E260-Y365 PolarHBondContact OE1-OH 2.84Å; E260-Y365 PolarHBondContact OE2-OH 2.89Å
261	C	97.3	Very high	96.4	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.027	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	158.8	-169.3	68.6	0	0	0	0	114.6	G195 V224 D259 I273 N274 V275	G195-C261 CarbonylContact C-O 3.52Å; G195-C261 VanDerWaalsContact CA-O 3.28Å; G195-C261 WeakPolarHBondContact CA-O 3.12Å; G195-C261 PolarHBondContact O-N 3.1Å; V224-C261 HydrophobicContact CG2-CB 3.97Å; D259-C261 PolarHBondContact O-N 2.89Å; C261-I273 HydrophobicContact CB-CG2 3.74Å; C261-N274 CarbonylContact C-O 3.56Å; C261-N274 WeakPolarHBondContact CA-O 3.25Å; C261-N274 WeakPolarHBondContact CB-O 3.26Å; C261-V275 HydrophobicContact CB-CB 4.35Å; C261-V275 HydrophobicContact CB-CG2 3.84Å
262	Q	96.5	Very high	96.8	Very high	3 Å²	3	31.9 Å²	31.9	1%	0.014	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	121.4	172.2	-175.8	155.6	-59.1	0	0	110.7	N274 A318	Q262-N274 PolarHBondContact N-O 3.17Å; Q262-N274 PolarHBondContact O-N 2.88Å; Q262-A318 VanDerWaalsContact NE2-N 3.16Å; Q262-A318 PolarHBondContact NE2-O 2.8Å
263	P	97.9	Very high	97	Very high	4 Å²	4	24.7 Å²	24.7	3%	0.026	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	150	172.4	33	-35.7	0	0	0	112.3	F198 C214 I271 L272 I273	F198-P263 WeakPolarHBondContact O-CD 3.29Å; C214-P263 HydrophobicContact CB-CG 4.4Å; P263-I271 HydrophobicContact CB-CG2 3.82Å; P263-L272 CarbonylContact C-O 3.47Å; P263-L272 WeakPolarHBondContact CA-O 3.4Å; P263-I273 HydrophobicContact CB-CG1 4.3Å
264	V	97.6	Very high	97.3	Very high	7 Å²	7	20.8 Å²	20.8	4%	0.042	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	134.6	178.2	-178.6	0	0	0	0	109.2	I271 L272 A318 Q320 L325	V264-I271 CarbonylContact O-C 3.59Å; V264-I271 WeakPolarHBondContact O-CA 3.38Å; V264-L272 PolarHBondContact N-O 2.91Å; V264-L272 PolarHBondContact O-N 3.5Å; V264-A318 HydrophobicContact CG2-CB 3.69Å; V264-A318 WeakPolarHBondContact CG2-O 3.11Å; V264-Q320 HydrophobicContact CG1-CB 3.37Å; V264-Q320 VanDerWaalsContact CG1-N 3.31Å; V264-L325 HydrophobicContact CG1-CD1 3.97Å
265	E	98.1	Very high	97.4	Very high	17 Å²	17	16.5 Å²	16.5	8%	0.079	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	126.3	172.9	-169.9	172.4	-135.9	0	0	111.2	I200 K202 R203 L204 Q320	I200-E265 HydrophobicContact CD1-CB 4.06Å; K202-E265 WeakPolarHBondContact CA-OE1 3.35Å; K202-E265 WeakPolarHBondContact CB-OE1 3.41Å; K202-E265 IonicContact NZ-OE1 2.73Å; K202-E265 PolarHBondContact NZ-OE1 2.85Å; R203-E265 VanDerWaalsContact CB-OE2 3.32Å; R203-E265 WeakPolarHBondContact CB-OE2 3.25Å; R203-E265 VanDerWaalsContact N-CD 3.34Å; R203-E265 PolarHBondContact N-OE1 2.93Å; R203-E265 VanDerWaalsContact N-OE1 3.11Å; R203-E265 PolarHBondContact N-OE2 3.38Å; L204-E265 PolarHBondContact N-OE1 3.2Å; E265-Q320 WeakPolarHBondContact O-CB 3.18Å; E265-Q320 PolarHBondContact O-NE2 2.87Å
266	L	97.8	Very high	97.5	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.			trans	-88.8	158.4	173.7	-64	-179	0	0	0	111	D268 G269 S270 L272 R290 N347	L266-D268 WeakPolarHBondContact CB-OD1 3.23Å; L266-D268 PolarHBondContact O-N 3.41Å; L266-G269 PolarHBondContact O-N 3.06Å; L266-S270 PolarHBondContact N-O 2.82Å; L266-L272 HydrophobicContact CD1-CB 3.83Å; L266-L272 HydrophobicContact CD1-CD1 4.09Å; L266-L272 HydrophobicContact CD2-CB 4.26Å; L266-L272 HydrophobicContact CD2-CD1 4.45Å; L266-L272 HydrophobicContact CG-CB 3.92Å; L266-R290 VanDerWaalsContact CD1-NE 3.35Å; L266-N347 HydrophobicContact CD1-CB 4.02Å; L266-N347 HydrophobicContact CD2-CB 4.05Å
267	M	96.2	Very high	97.6	Very high	113 Å²	113	15.3 Å²	15.3	56%	0.557	8%	0.079	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-7.2	-178.4	-63.2	-60.1	-70.4	0	0	114.9	Q320	M267-Q320 PolarHBondContact SD-NE2 3.14Å; M267-Q320 VanDerWaalsContact SD-NE2 3.42Å
268	D	96.8	Very high	97.6	Very high	102 Å²	102	17.9 Å²	17.9	55%	0.545	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	2.6	171.4	54.5	34.2	0	0	0	113.2	L266 S270	L266-D268 WeakPolarHBondContact CB-OD1 3.23Å; L266-D268 PolarHBondContact O-N 3.41Å; D268-S270 VanDerWaalsContact C-N 3.29Å; D268-S270 PolarHBondContact O-N 2.95Å; D268-S270 VanDerWaalsContact OD1-CB 3.26Å; D268-S270 WeakPolarHBondContact OD1-CB 3.22Å; D268-S270 PolarHBondContact OD1-N 2.69Å; D268-S270 PolarHBondContact OD1-OG 2.76Å
269	G	98.1	Very high	97.5	Very high	2 Å²	2	19.5 Å²	19.5	2%	0.021	10%	0.099	C	C	.	.	S	Bend	trans	83.3	-6.7	-179.3	0	0	0	0	0	115.1	K202 D205 L266	K202-G269 PolarHBondContact NZ-O 2.6Å; D205-G269 WeakPolarHBondContact O-CA 3.14Å; L266-G269 PolarHBondContact O-N 3.06Å
270	S	98.5	Very high	97.5	Very high	9 Å²	9	20.4 Å²	20.4	6%	0.063	10%	0.104	C	C	.	.			trans	-69.5	151.8	171.2	70.3	0	0	0	0	111.6	L266 D268 S291	L266-S270 PolarHBondContact N-O 2.82Å; D268-S270 VanDerWaalsContact C-N 3.29Å; D268-S270 PolarHBondContact O-N 2.95Å; D268-S270 VanDerWaalsContact OD1-CB 3.26Å; D268-S270 WeakPolarHBondContact OD1-CB 3.22Å; D268-S270 PolarHBondContact OD1-N 2.69Å; D268-S270 PolarHBondContact OD1-OG 2.76Å; S270-S291 WeakPolarHBondContact CA-O 3.27Å
271	I	98.7	Very high	97.5	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.01	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	115.7	170.9	-49.1	176.2	0	0	0	107.6	I200 K202 V212 P263 V264 I273 R290 S291	I200-I271 HydrophobicContact CD1-CD1 4.17Å; I200-I271 HydrophobicContact CD1-CG1 4.06Å; I200-I271 HydrophobicContact CD1-CG2 3.82Å; K202-I271 HydrophobicContact CD-CD1 3.99Å; K202-I271 HydrophobicContact CD-CG1 4.13Å; V212-I271 HydrophobicContact CB-CD1 4.34Å; V212-I271 HydrophobicContact CG1-CD1 4.02Å; V212-I271 HydrophobicContact CG2-CD1 3.93Å; P263-I271 HydrophobicContact CB-CG2 3.82Å; V264-I271 CarbonylContact O-C 3.59Å; V264-I271 WeakPolarHBondContact O-CA 3.38Å; I271-I273 HydrophobicContact CG2-CG1 4.22Å; I271-R290 CarbonylContact O-C 3.57Å; I271-R290 VanDerWaalsContact O-CA 3.23Å; I271-R290 WeakPolarHBondContact O-CA 3.48Å; I271-S291 PolarHBondContact N-O 3.36Å; I271-S291 PolarHBondContact O-N 3.21Å
272	L	98.4	Very high	97.4	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.021	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	129.1	166	-178.9	151	0	0	0	108.7	P263 V264 L266 N274 V288 R290 L325	P263-L272 CarbonylContact C-O 3.47Å; P263-L272 WeakPolarHBondContact CA-O 3.4Å; V264-L272 PolarHBondContact N-O 2.91Å; V264-L272 PolarHBondContact O-N 3.5Å; L266-L272 HydrophobicContact CD1-CB 3.83Å; L266-L272 HydrophobicContact CD1-CD1 4.09Å; L266-L272 HydrophobicContact CD2-CB 4.26Å; L266-L272 HydrophobicContact CD2-CD1 4.45Å; L266-L272 HydrophobicContact CG-CB 3.92Å; L272-N274 HydrophobicContact CD2-CB 4.4Å; L272-V288 HydrophobicContact CD1-CG1 3.77Å; L272-V288 HydrophobicContact CD2-CG1 4.03Å; L272-V288 HydrophobicContact CG-CG1 3.7Å; L272-R290 HydrophobicContact CB-CG 4.45Å; L272-L325 HydrophobicContact CD1-CD2 4.04Å
273	I	98.3	Very high	97.4	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.2	171	-47.3	-177.5	0	0	0	108.3	C214 V224 C261 P263 I271 V275 V288 V289 L298	C214-I273 HydrophobicContact CB-CD1 4.36Å; V224-I273 HydrophobicContact CG1-CD1 4.49Å; C261-I273 HydrophobicContact CB-CG2 3.74Å; P263-I273 HydrophobicContact CB-CG1 4.3Å; I271-I273 HydrophobicContact CG2-CG1 4.22Å; I273-V275 HydrophobicContact CB-CG2 4.26Å; I273-V275 HydrophobicContact CG2-CG2 3.68Å; I273-V288 WeakPolarHBondContact O-CA 3.27Å; I273-V289 HydrophobicContact CB-CG1 4.12Å; I273-V289 PolarHBondContact N-O 3.31Å; I273-V289 PolarHBondContact O-N 3.34Å; I273-V289 VanDerWaalsContact O-N 3.12Å; I273-L298 HydrophobicContact CD1-CD1 3.81Å; I273-L298 HydrophobicContact CD1-CD2 3.67Å; I273-L298 HydrophobicContact CD1-CG 4.32Å; I273-L298 HydrophobicContact CG1-CD2 4.31Å
274	N	98.1	Very high	97.4	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	129.1	170.8	-173.3	-68.2	0	0	0	109.1	C261 Q262 L272 R286 A318 F327	C261-N274 CarbonylContact C-O 3.56Å; C261-N274 WeakPolarHBondContact CA-O 3.25Å; C261-N274 WeakPolarHBondContact CB-O 3.26Å; Q262-N274 PolarHBondContact N-O 3.17Å; Q262-N274 PolarHBondContact O-N 2.88Å; L272-N274 HydrophobicContact CD2-CB 4.4Å; N274-R286 VanDerWaalsContact OD1-CZ 3.26Å; N274-R286 PolarHBondContact OD1-NE 3.14Å; N274-R286 PolarHBondContact OD1-NH2 3.42Å; N274-A318 HydrophobicContact CB-CB 4.3Å; N274-F327 WeakPolarHBondContact ND2-CD2 3.38Å; N274-F327 VanDerWaalsContact ND2-CE2 3.28Å; N274-F327 WeakPolarHBondContact ND2-CE2 3.42Å; N274-F327 WeakPolarHBondContact OD1-CE2 3.41Å
275	V	98.2	Very high	97.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	136.3	-162.6	178.5	0	0	0	0	111.8	V224 P258 C261 I273 R286 I287 V289	V224-V275 HydrophobicContact CG2-CG1 3.67Å; V224-V275 HydrophobicContact CG2-CG2 4Å; P258-V275 HydrophobicContact CB-CG1 3.5Å; P258-V275 VanDerWaalsContact CB-CG1 3.5Å; C261-V275 HydrophobicContact CB-CB 4.35Å; C261-V275 HydrophobicContact CB-CG2 3.84Å; I273-V275 HydrophobicContact CB-CG2 4.26Å; I273-V275 HydrophobicContact CG2-CG2 3.68Å; V275-R286 VanDerWaalsContact C-NH2 3.31Å; V275-I287 HydrophobicContact CB-CB 3.9Å; V275-I287 HydrophobicContact CB-CG2 4.02Å; V275-I287 HydrophobicContact CG1-CB 4.19Å; V275-I287 HydrophobicContact CG1-CG2 4.32Å; V275-I287 PolarHBondContact N-O 2.88Å; V275-I287 PolarHBondContact O-N 3.42Å; V275-V289 HydrophobicContact CG2-CG1 4.29Å
276	R	98.3	Very high	97.5	Very high	22 Å²	22	33 Å²	33	8%	0.083	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	125.7	174	174.7	177.5	164.3	171.1	-19	110.5	D259 E260 Q278 V313 Y365	D259-R276 HydrophobicContact CB-CB 4.22Å; D259-R276 HydrophobicContact CB-CG 4.24Å; D259-R276 PolarHBondContact N-O 2.89Å; D259-R276 VanDerWaalsContact N-O 3.07Å; D259-R276 IonicContact OD2-CZ 3.17Å; D259-R276 IonicContact OD2-NE 2.69Å; D259-R276 IonicContact OD2-NH2 2.8Å; E260-R276 HydrophobicContact CB-CB 4.07Å; E260-R276 VanDerWaalsContact O-CB 3.22Å; E260-R276 WeakPolarHBondContact O-CB 3.22Å; E260-R276 PolarHBondContact O-N 3.46Å; E260-R276 IonicContact OE1-NH1 3.67Å; E260-R276 PolarHBondContact OE1-NH1 2.95Å; E260-R276 VanDerWaalsContact OE2-CD 3.26Å; E260-R276 WeakPolarHBondContact OE2-CD 3.45Å; E260-R276 IonicContact OE2-CZ 2.71Å; E260-R276 IonicContact OE2-NE 3.11Å; E260-R276 IonicContact OE2-NH1 2.75Å; E260-R276 PolarHBondContact OE2-NH1 3.2Å; R276-Q278 VanDerWaalsContact CZ-OE1 3.25Å; R276-Q278 PolarHBondContact O-N 2.88Å; R276-V313 HydrophobicContact CG-CG1 4.15Å; R276-V313 VanDerWaalsContact NE-CG1 3.32Å; R276-Y365 PolarHBondContact NH1-OH 3.22Å; R276-Y365 VanDerWaalsContact NH1-OH 3.11Å
277	N	97.7	Very high	97.5	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	77.5	176.6	-171.7	-3.5	0	0	0	110.1	N279 N280 Y281 C283 C285 I287	N277-N279 VanDerWaalsContact C-N 3.26Å; N277-N279 PolarHBondContact O-N 2.86Å; N277-N279 VanDerWaalsContact O-N 3.08Å; N277-N280 PolarHBondContact O-N 2.82Å; N277-Y281 PolarHBondContact ND2-N 2.96Å; N277-Y281 PolarHBondContact ND2-O 3.07Å; N277-Y281 VanDerWaalsContact ND2-O 3.13Å; N277-Y281 WeakPolarHBondContact OD1-CB 3.22Å; N277-Y281 PolarHBondContact OD1-N 3.24Å; N277-C283 PolarHBondContact ND2-O 3.01Å; N277-C285 WeakPolarHBondContact CB-O 3.41Å; N277-C285 PolarHBondContact ND2-O 2.79Å; N277-I287 HydrophobicContact CB-CD1 3.91Å; N277-I287 HydrophobicContact CB-CG1 4.05Å
278	Q	96.3	Very high	97.6	Very high	56 Å²	56	28.1 Å²	28.1	26%	0.262	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-31.8	-162.7	171.1	61.9	-6.1	0	0	115.5	N257 D259 R276	N257-Q278 HydrophobicContact CB-CB 4.2Å; N257-Q278 WeakPolarHBondContact ND2-CG 3.22Å; N257-Q278 WeakPolarHBondContact O-CB 3.42Å; N257-Q278 PolarHBondContact O-N 2.84Å; D259-Q278 HydrophobicContact CB-CB 3.64Å; D259-Q278 HydrophobicContact CB-CG 4.35Å; D259-Q278 WeakPolarHBondContact OD2-CB 3.37Å; D259-Q278 WeakPolarHBondContact OD2-CG 3.18Å; D259-Q278 PolarHBondContact OD2-OE1 2.69Å; R276-Q278 VanDerWaalsContact CZ-OE1 3.25Å; R276-Q278 PolarHBondContact O-N 2.88Å
279	N	95.9	Very high	97.7	Very high	33 Å²	33	23.3 Å²	23.3	18%	0.176	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	17.1	179.3	-67.1	-45.7	0	0	0	113.2	K251 K252 Q254 D255 N257 N277 Y281	K251-N279 WeakPolarHBondContact CB-ND2 3.26Å; K252-N279 WeakPolarHBondContact O-CB 3.5Å; Q254-N279 PolarHBondContact N-O 2.9Å; D255-N279 WeakPolarHBondContact O-CB 3.14Å; N257-N279 HydrophobicContact CB-CB 4.43Å; N257-N279 WeakPolarHBondContact CB-ND2 3.16Å; N277-N279 VanDerWaalsContact C-N 3.26Å; N277-N279 PolarHBondContact O-N 2.86Å; N277-N279 VanDerWaalsContact O-N 3.08Å; N279-Y281 VanDerWaalsContact C-N 3.34Å; N279-Y281 PolarHBondContact O-N 2.83Å
280	N	96.4	Very high	97.7	Very high	28 Å²	28	25.4 Å²	25.4	15%	0.15	12%	0.119	C	C	.	.			trans	54.5	40	179.6	-61.3	-69.4	0	0	0	114.3	Q254 N277 H282 C283 H284 V313	Q254-N280 VanDerWaalsContact CD-O 3.26Å; Q254-N280 PolarHBondContact NE2-O 3.16Å; Q254-N280 PolarHBondContact OE1-O 3.2Å; Q254-N280 VanDerWaalsContact OE1-O 3.06Å; N277-N280 PolarHBondContact O-N 2.82Å; N280-H282 PolarHBondContact O-N 3.2Å; N280-C283 CarbonylContact C-O 3.5Å; N280-C283 WeakPolarHBondContact CA-O 3.16Å; N280-C283 WeakPolarHBondContact CB-O 3.46Å; N280-C283 PolarHBondContact O-N 2.91Å; N280-H284 PolarHBondContact OD1-ND1 2.94Å; N280-V313 WeakPolarHBondContact ND2-CG2 3.17Å; N280-V313 VanDerWaalsContact OD1-CG2 3.3Å; N280-V313 WeakPolarHBondContact OD1-CG2 3.34Å
281	Y	96.9	Very high	97.7	Very high	68 Å²	68	25 Å²	25	27%	0.267	12%	0.116	S	C	.	.	S	Bend	trans	-52.5	112.5	-178.1	-175.9	-94.7	0	0	0	111.1	Q254 F256 N277 N279 C283 F305	Q254-Y281 VanDerWaalsContact O-CD2 3.26Å; Q254-Y281 WeakPolarHBondContact O-CD2 3.46Å; F256-Y281 HydrophobicContact CB-CD1 4.42Å; F256-Y281 HydrophobicContact CB-CD2 3.68Å; F256-Y281 HydrophobicContact CB-CE1 4.49Å; F256-Y281 HydrophobicContact CB-CE2 3.81Å; F256-Y281 HydrophobicContact CB-CG 4.01Å; F256-Y281 AromaticContact CD2-CD1 3.95Å; F256-Y281 HydrophobicContact CD2-CD1 3.95Å; F256-Y281 HydrophobicContact CD2-CE1 4.27Å; F256-Y281 HydrophobicContact CD2-CG 4.12Å; F256-Y281 VanDerWaalsContact N-CD2 3.35Å; N277-Y281 PolarHBondContact ND2-N 2.96Å; N277-Y281 PolarHBondContact ND2-O 3.07Å; N277-Y281 VanDerWaalsContact ND2-O 3.13Å; N277-Y281 WeakPolarHBondContact OD1-CB 3.22Å; N277-Y281 PolarHBondContact OD1-N 3.24Å; N279-Y281 VanDerWaalsContact C-N 3.34Å; N279-Y281 PolarHBondContact O-N 2.83Å; Y281-C283 PolarHBondContact O-N 2.81Å; Y281-F305 AromaticContact CD1-CE1 3.67Å; Y281-F305 HydrophobicContact CD1-CE1 3.67Å; Y281-F305 HydrophobicContact CD1-CE2 4.23Å; Y281-F305 AromaticContact CD1-CZ 3.37Å; Y281-F305 HydrophobicContact CD1-CZ 3.37Å; Y281-F305 HydrophobicContact CE1-CE2 4.3Å; Y281-F305 AromaticContact CE1-CZ 3.79Å; Y281-F305 HydrophobicContact CE1-CZ 3.79Å; Y281-F305 HydrophobicContact CG-CZ 4.5Å
282	H	95.1	Very high	97.7	Very high	141 Å²	141	29.3 Å²	29.3	65%	0.653	14%	0.139	S	C	*	.	S	Bend	trans	55.5	-19.2	-170.5	-58	-46.1	0	0	0	117.4	N280	N280-H282 PolarHBondContact O-N 3.2Å
283	C	97.2	Very high	97.7	Very high	20 Å²	20	31.2 Å²	31.2	14%	0.135	15%	0.149	C	C	.	.	S	Bend	trans	-149	154.8	-177.6	73.2	0	0	0	0	113.3	N277 N280 Y281 C285 T307	N277-C283 PolarHBondContact ND2-O 3.01Å; N280-C283 CarbonylContact C-O 3.5Å; N280-C283 WeakPolarHBondContact CA-O 3.16Å; N280-C283 WeakPolarHBondContact CB-O 3.46Å; N280-C283 PolarHBondContact O-N 2.91Å; Y281-C283 PolarHBondContact O-N 2.81Å; C283-C285 HydrophobicContact CB-CB 3.78Å; C283-C285 WeakPolarHBondContact CB-SG 3.44Å; C283-C285 PolarHBondContact O-N 2.87Å; C283-C285 VanDerWaalsContact SG-CA 3.55Å; C283-C285 WeakPolarHBondContact SG-CB 3.26Å; C283-C285 PolarHBondContact SG-N 3.19Å; C283-C285 VanDerWaalsContact SG-N 3.36Å; C283-C285 CovalentContact SG-SG 2.04Å; C283-C285 PolarHBondContact SG-SG 2.83Å; C283-T307 HydrophobicContact CB-CG2 4.48Å
284	H	97.9	Very high	97.7	Very high	82 Å²	82	31.2 Å²	31.2	38%	0.38	15%	0.149	S	C	.	.	S	Bend	trans	-85.8	62.7	160.5	-72.8	-107.9	0	0	0	109.4	N280 I310 D311 D333	N280-H284 PolarHBondContact OD1-ND1 2.94Å; H284-I310 VanDerWaalsContact O-CA 3.32Å; H284-I310 WeakPolarHBondContact O-CA 3.47Å; H284-D311 PolarHBondContact O-N 2.93Å; H284-D333 HydrophobicContact CB-CB 4.02Å; H284-D333 PolarHBondContact ND1-O 3.3Å
285	C	98.1	Very high	97.7	Very high	3 Å²	3	31 Å²	31	2%	0.02	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	161.8	-170.5	83.4	0	0	0	0	113.1	N277 C283 D306 L309	N277-C285 WeakPolarHBondContact CB-O 3.41Å; N277-C285 PolarHBondContact ND2-O 2.79Å; C283-C285 HydrophobicContact CB-CB 3.78Å; C283-C285 WeakPolarHBondContact CB-SG 3.44Å; C283-C285 PolarHBondContact O-N 2.87Å; C283-C285 VanDerWaalsContact SG-CA 3.55Å; C283-C285 WeakPolarHBondContact SG-CB 3.26Å; C283-C285 PolarHBondContact SG-N 3.19Å; C283-C285 VanDerWaalsContact SG-N 3.36Å; C283-C285 CovalentContact SG-SG 2.04Å; C283-C285 PolarHBondContact SG-SG 2.83Å; C285-D306 WeakPolarHBondContact CB-O 3.34Å; C285-L309 VanDerWaalsContact CA-O 3.26Å; C285-L309 WeakPolarHBondContact CA-O 3.33Å
286	R	98.4	Very high	97.7	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	140.9	-179.1	-55.4	-56.2	-67.8	178.1	0.4	111.9	N274 V275 D306 L309 D311 V314 F327	N274-R286 VanDerWaalsContact OD1-CZ 3.26Å; N274-R286 PolarHBondContact OD1-NE 3.14Å; N274-R286 PolarHBondContact OD1-NH2 3.42Å; V275-R286 VanDerWaalsContact C-NH2 3.31Å; R286-D306 PolarHBondContact O-N 3.47Å; R286-L309 HydrophobicContact CB-CB 4.04Å; R286-L309 HydrophobicContact CB-CD1 4.31Å; R286-L309 HydrophobicContact CG-CB 3.5Å; R286-L309 VanDerWaalsContact CG-CB 3.5Å; R286-L309 HydrophobicContact CG-CD1 4Å; R286-L309 HydrophobicContact CG-CG 4.44Å; R286-L309 PolarHBondContact N-O 3.42Å; R286-D311 VanDerWaalsContact CD-CG 3.46Å; R286-D311 WeakPolarHBondContact CD-OD2 3.45Å; R286-D311 HydrophobicContact CG-CB 4.4Å; R286-D311 IonicContact CZ-OD2 3.23Å; R286-D311 IonicContact NE-OD2 2.73Å; R286-D311 IonicContact NH1-OD1 3.4Å; R286-D311 PolarHBondContact NH1-OD1 2.79Å; R286-D311 VanDerWaalsContact NH1-OD1 3.16Å; R286-D311 IonicContact NH1-OD2 2.94Å; R286-D311 PolarHBondContact NH1-OD2 3Å; R286-V314 PolarHBondContact NH1-O 3.42Å; R286-F327 HydrophobicContact CG-CE2 4.2Å; R286-F327 HydrophobicContact CG-CZ 3.72Å
287	I	98.4	Very high	97.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	137.7	158.9	-69.5	160.4	0	0	0	107.1	F256 P258 V275 N277 L303 F305	F256-I287 HydrophobicContact CD2-CD1 4.35Å; F256-I287 HydrophobicContact CE2-CD1 3.76Å; F256-I287 HydrophobicContact CZ-CD1 4.49Å; P258-I287 HydrophobicContact CB-CD1 4.17Å; V275-I287 HydrophobicContact CB-CB 3.9Å; V275-I287 HydrophobicContact CB-CG2 4.02Å; V275-I287 HydrophobicContact CG1-CB 4.19Å; V275-I287 HydrophobicContact CG1-CG2 4.32Å; V275-I287 PolarHBondContact N-O 2.88Å; V275-I287 PolarHBondContact O-N 3.42Å; N277-I287 HydrophobicContact CB-CD1 3.91Å; N277-I287 HydrophobicContact CB-CG1 4.05Å; I287-L303 HydrophobicContact CG2-CD1 4.03Å; I287-L303 HydrophobicContact CG2-CG 4.16Å; I287-F305 HydrophobicContact CD1-CE1 4.02Å; I287-F305 HydrophobicContact CG1-CD1 3.8Å; I287-F305 HydrophobicContact CG1-CE1 3.49Å; I287-F305 VanDerWaalsContact CG1-CE1 3.49Å; I287-F305 HydrophobicContact CG1-CZ 4.31Å
288	V	98.1	Very high	97.8	Very high	12 Å²	12	37.5 Å²	37.5	7%	0.073	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.9	169.7	179.5	0	0	0	0	107.7	L272 I273 L303 V304 D306	L272-V288 HydrophobicContact CD1-CG1 3.77Å; L272-V288 HydrophobicContact CD2-CG1 4.03Å; L272-V288 HydrophobicContact CG-CG1 3.7Å; I273-V288 WeakPolarHBondContact O-CA 3.27Å; V288-L303 WeakPolarHBondContact O-CA 3.4Å; V288-V304 HydrophobicContact CB-CG2 3.9Å; V288-V304 HydrophobicContact CG1-CG2 4.46Å; V288-V304 PolarHBondContact N-O 3.28Å; V288-V304 PolarHBondContact O-N 3.13Å; V288-V304 VanDerWaalsContact O-O 3.13Å; V288-D306 HydrophobicContact CG2-CB 4.18Å
289	V	98.3	Very high	97.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	143.9	177	59.9	0	0	0	0	109.5	L242 I273 V275 L298 E302 L303	L242-V289 HydrophobicContact CD2-CB 4.31Å; L242-V289 HydrophobicContact CD2-CG1 3.9Å; L242-V289 HydrophobicContact CD2-CG2 4.48Å; I273-V289 HydrophobicContact CB-CG1 4.12Å; I273-V289 PolarHBondContact N-O 3.31Å; I273-V289 PolarHBondContact O-N 3.34Å; I273-V289 VanDerWaalsContact O-N 3.12Å; V275-V289 HydrophobicContact CG2-CG1 4.29Å; V289-L298 HydrophobicContact CB-CD2 4.5Å; V289-L298 HydrophobicContact CG1-CD2 3.94Å; V289-L298 HydrophobicContact CG2-CB 4.07Å; V289-L298 HydrophobicContact CG2-CD2 3.93Å; V289-E302 WeakPolarHBondContact CA-O 3.45Å; V289-L303 HydrophobicContact CB-CB 4.36Å; V289-L303 HydrophobicContact CB-CD1 4.44Å; V289-L303 HydrophobicContact CB-CG 4.4Å; V289-L303 HydrophobicContact CG2-CB 4.15Å
290	R	98.3	Very high	97.8	Very high	46 Å²	46	40 Å²	40	17%	0.174	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	147.4	174.8	-58.7	-166.7	-179.1	93.5	3.9	113.3	L266 I271 L272 L292 E302 N347	L266-R290 VanDerWaalsContact CD1-NE 3.35Å; I271-R290 CarbonylContact O-C 3.57Å; I271-R290 VanDerWaalsContact O-CA 3.23Å; I271-R290 WeakPolarHBondContact O-CA 3.48Å; L272-R290 HydrophobicContact CB-CG 4.45Å; R290-L292 HydrophobicContact CB-CD2 4.29Å; R290-E302 HydrophobicContact CB-CB 4.01Å; R290-E302 HydrophobicContact CB-CG 4.23Å; R290-E302 PolarHBondContact N-O 2.95Å; R290-E302 IonicContact NH1-OE2 3.85Å; R290-E302 PolarHBondContact NH1-OE2 3.3Å; R290-N347 PolarHBondContact NH2-O 2.76Å
291	S	98.7	Very high	97.9	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.007	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.2	162.5	173.1	0	0	0	0	109	S270 I271 D293 G295 T297	S270-S291 WeakPolarHBondContact CA-O 3.27Å; I271-S291 PolarHBondContact N-O 3.36Å; I271-S291 PolarHBondContact O-N 3.21Å; S291-D293 PolarHBondContact OG-OD1 3.04Å; S291-G295 VanDerWaalsContact OG-CA 3.27Å; S291-G295 WeakPolarHBondContact OG-CA 3.48Å; S291-G295 PolarHBondContact OG-N 3.2Å; S291-T297 WeakPolarHBondContact CA-O 3.47Å; S291-T297 WeakPolarHBondContact CB-O 3.17Å; S291-T297 PolarHBondContact OG-O 3.16Å
292	L	98.6	Very high	97.9	Very high	93 Å²	93	46 Å²	46	49%	0.487	24%	0.237	S	C	.	.	S	Bend	trans	-100.1	0.9	-178	-52.1	-177.6	0	0	0	112.9	R290 E302	R290-L292 HydrophobicContact CB-CD2 4.29Å; L292-E302 HydrophobicContact CD1-CG 4.07Å; L292-E302 HydrophobicContact CD2-CG 4.38Å; L292-E302 HydrophobicContact CG-CG 4.22Å
293	D	98.5	Very high	98.1	Very high	43 Å²	43	40.6 Å²	40.6	23%	0.23	21%	0.213	C	C	.	.	S	Bend	trans	-127.3	21.4	-169.4	59.8	13.2	0	0	0	113.3	S291 L296 T297	S291-D293 PolarHBondContact OG-OD1 3.04Å; D293-L296 HydrophobicContact CB-CB 4.39Å; D293-L296 HydrophobicContact CB-CD1 4.49Å; D293-L296 WeakPolarHBondContact O-CD1 3.28Å; D293-L296 WeakPolarHBondContact OD1-CA 3.46Å; D293-L296 PolarHBondContact OD1-N 2.77Å; D293-T297 PolarHBondContact OD1-N 2.85Å; D293-T297 VanDerWaalsContact OD2-CB 3.29Å; D293-T297 WeakPolarHBondContact OD2-CB 3.34Å; D293-T297 WeakPolarHBondContact OD2-CG2 3.15Å; D293-T297 PolarHBondContact OD2-N 3.39Å; D293-T297 PolarHBondContact OD2-OG1 3.06Å
294	G	98.1	Very high	98.1	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.01	23%	0.231	C	C	.	.	S	Bend	trans	72.1	36.9	178.9	0	0	0	0	0	113.3	R210	R210-G294 WeakPolarHBondContact CD-O 3.11Å; R210-G294 PolarHBondContact NH1-O 3.33Å
295	G	98.3	Very high	98.1	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.01	23%	0.226	C	C	.	.	S	Bend	trans	89.8	12.7	174.1	0	0	0	0	0	115.3	A240 S291	A240-G295 WeakPolarHBondContact CB-O 3.34Å; A240-G295 PolarHBondContact N-O 2.91Å; S291-G295 VanDerWaalsContact OG-CA 3.27Å; S291-G295 WeakPolarHBondContact OG-CA 3.48Å; S291-G295 PolarHBondContact OG-N 3.2Å
296	L	98.6	Very high	98.1	Very high	73 Å²	73	43.3 Å²	43.3	38%	0.382	23%	0.229	S	C	.	.	S	Bend	trans	-83.2	-36.4	179	-60.1	170.1	0	0	0	111.9	L228 A240 D293	L228-L296 HydrophobicContact CD1-CD2 3.66Å; L228-L296 HydrophobicContact CD1-CG 4.45Å; A240-L296 VanDerWaalsContact CA-O 3.29Å; A240-L296 WeakPolarHBondContact CA-O 3.46Å; A240-L296 PolarHBondContact N-O 3.47Å; D293-L296 HydrophobicContact CB-CB 4.39Å; D293-L296 HydrophobicContact CB-CD1 4.49Å; D293-L296 WeakPolarHBondContact O-CD1 3.28Å; D293-L296 WeakPolarHBondContact OD1-CA 3.46Å; D293-L296 PolarHBondContact OD1-N 2.77Å
297	T	98.5	Very high	98	Very high	72 Å²	72	48.1 Å²	48.1	44%	0.442	26%	0.259	S	S	.	.			trans	-134.7	159.9	174.8	69.6	0	0	0	0	112.9	S291 D293	S291-T297 WeakPolarHBondContact CA-O 3.47Å; S291-T297 WeakPolarHBondContact CB-O 3.17Å; S291-T297 PolarHBondContact OG-O 3.16Å; D293-T297 PolarHBondContact OD1-N 2.85Å; D293-T297 VanDerWaalsContact OD2-CB 3.29Å; D293-T297 WeakPolarHBondContact OD2-CB 3.34Å; D293-T297 WeakPolarHBondContact OD2-CG2 3.15Å; D293-T297 PolarHBondContact OD2-N 3.39Å; D293-T297 PolarHBondContact OD2-OG1 3.06Å
298	L	98.4	Very high	97.9	Very high	13 Å²	13	51.3 Å²	51.3	7%	0.068	28%	0.278	C	S	.	.			trans	-129.8	85	170.8	-73.3	166	0	0	0	107.2	V224 A240 L242 I273 V289	V224-L298 HydrophobicContact CG1-CD1 4.27Å; A240-L298 HydrophobicContact CB-CB 4.28Å; A240-L298 HydrophobicContact CB-CD1 3.81Å; A240-L298 HydrophobicContact CB-CG 3.61Å; L242-L298 HydrophobicContact CB-CB 4.38Å; L242-L298 HydrophobicContact CB-CD1 4.07Å; I273-L298 HydrophobicContact CD1-CD1 3.81Å; I273-L298 HydrophobicContact CD1-CD2 3.67Å; I273-L298 HydrophobicContact CD1-CG 4.32Å; I273-L298 HydrophobicContact CG1-CD2 4.31Å; V289-L298 HydrophobicContact CB-CD2 4.5Å; V289-L298 HydrophobicContact CG1-CD2 3.94Å; V289-L298 HydrophobicContact CG2-CB 4.07Å; V289-L298 HydrophobicContact CG2-CD2 3.93Å
299	P	97.3	Very high	97.9	Very high	36 Å²	36	50.7 Å²	50.7	23%	0.234	28%	0.275	C	S	.	.			trans	-62.6	146	179.4	23.5	-31.8	0	0	0	111.5	E301 E302	P299-E301 WeakPolarHBondContact CB-OE2 3.42Å; P299-E301 PolarHBondContact O-N 2.8Å; P299-E302 HydrophobicContact CG-CB 4.1Å; P299-E302 HydrophobicContact CG-CG 3.96Å; P299-E302 PolarHBondContact O-N 2.88Å
300	V	96.3	Very high	97.9	Very high	105 Å²	105	53.6 Å²	53.6	64%	0.636	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-71.4	-23.2	179.8	-179	0	0	0	0	110.6	E302 L303	V300-E302 VanDerWaalsContact C-N 3.26Å; V300-E302 PolarHBondContact O-N 2.94Å; V300-L303 WeakPolarHBondContact O-CB 3.32Å; V300-L303 PolarHBondContact O-N 3.18Å; V300-L303 VanDerWaalsContact O-N 3.12Å
301	E	97.6	Very high	97.9	Very high	165 Å²	165	51.5 Å²	51.5	77%	0.771	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-64.5	-25.8	174.1	-62.6	74.1	-167.4	0	0	113.1	P299	P299-E301 WeakPolarHBondContact CB-OE2 3.42Å; P299-E301 PolarHBondContact O-N 2.8Å
302	E	97.9	Very high	97.9	Very high	57 Å²	57	52 Å²	52	27%	0.266	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-96.5	7.6	173.9	-74.4	-66.9	141.7	0	0	112.9	V289 R290 L292 P299 V300	V289-E302 WeakPolarHBondContact CA-O 3.45Å; R290-E302 HydrophobicContact CB-CB 4.01Å; R290-E302 HydrophobicContact CB-CG 4.23Å; R290-E302 PolarHBondContact N-O 2.95Å; R290-E302 IonicContact NH1-OE2 3.85Å; R290-E302 PolarHBondContact NH1-OE2 3.3Å; L292-E302 HydrophobicContact CD1-CG 4.07Å; L292-E302 HydrophobicContact CD2-CG 4.38Å; L292-E302 HydrophobicContact CG-CG 4.22Å; P299-E302 HydrophobicContact CG-CB 4.1Å; P299-E302 HydrophobicContact CG-CG 3.96Å; P299-E302 PolarHBondContact O-N 2.88Å; V300-E302 VanDerWaalsContact C-N 3.26Å; V300-E302 PolarHBondContact O-N 2.94Å
303	L	98.1	Very high	97.9	Very high	29 Å²	29	48.7 Å²	48.7	15%	0.152	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	128.9	178.2	-171.9	148.7	0	0	0	111.6	L242 F256 I287 V288 V289 V300 F305	L242-L303 HydrophobicContact CD1-CD1 3.78Å; L242-L303 HydrophobicContact CD2-CD1 3.61Å; L242-L303 HydrophobicContact CG-CD1 4.31Å; F256-L303 HydrophobicContact CE2-CD1 4.09Å; F256-L303 HydrophobicContact CZ-CD1 3.67Å; I287-L303 HydrophobicContact CG2-CD1 4.03Å; I287-L303 HydrophobicContact CG2-CG 4.16Å; V288-L303 WeakPolarHBondContact O-CA 3.4Å; V289-L303 HydrophobicContact CB-CB 4.36Å; V289-L303 HydrophobicContact CB-CD1 4.44Å; V289-L303 HydrophobicContact CB-CG 4.4Å; V289-L303 HydrophobicContact CG2-CB 4.15Å; V300-L303 WeakPolarHBondContact O-CB 3.32Å; V300-L303 PolarHBondContact O-N 3.18Å; V300-L303 VanDerWaalsContact O-N 3.12Å; L303-F305 HydrophobicContact CD2-CD2 4.17Å; L303-F305 HydrophobicContact CD2-CE2 3.55Å; L303-F305 HydrophobicContact CD2-CZ 3.9Å
304	V	97.6	Very high	97.8	Very high	83 Å²	83	46.6 Å²	46.6	50%	0.503	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	157	174.1	-59.3	0	0	0	0	111.6	V288	V288-V304 HydrophobicContact CB-CG2 3.9Å; V288-V304 HydrophobicContact CG1-CG2 4.46Å; V288-V304 PolarHBondContact N-O 3.28Å; V288-V304 PolarHBondContact O-N 3.13Å; V288-V304 VanDerWaalsContact O-O 3.13Å
305	F	98.1	Very high	97.8	Very high	61 Å²	61	46.7 Å²	46.7	27%	0.268	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	109.5	170.1	-65.4	-90.4	0	0	0	107.7	F256 Y281 I287 L303 T307	F256-F305 HydrophobicContact CD2-CZ 4.05Å; F256-F305 HydrophobicContact CE2-CE1 4.43Å; F256-F305 AromaticContact CE2-CZ 3.93Å; F256-F305 HydrophobicContact CE2-CZ 3.93Å; Y281-F305 AromaticContact CD1-CE1 3.67Å; Y281-F305 HydrophobicContact CD1-CE1 3.67Å; Y281-F305 HydrophobicContact CD1-CE2 4.23Å; Y281-F305 AromaticContact CD1-CZ 3.37Å; Y281-F305 HydrophobicContact CD1-CZ 3.37Å; Y281-F305 HydrophobicContact CE1-CE2 4.3Å; Y281-F305 AromaticContact CE1-CZ 3.79Å; Y281-F305 HydrophobicContact CE1-CZ 3.79Å; Y281-F305 HydrophobicContact CG-CZ 4.5Å; I287-F305 HydrophobicContact CD1-CE1 4.02Å; I287-F305 HydrophobicContact CG1-CD1 3.8Å; I287-F305 HydrophobicContact CG1-CE1 3.49Å; I287-F305 VanDerWaalsContact CG1-CE1 3.49Å; I287-F305 HydrophobicContact CG1-CZ 4.31Å; L303-F305 HydrophobicContact CD2-CD2 4.17Å; L303-F305 HydrophobicContact CD2-CE2 3.55Å; L303-F305 HydrophobicContact CD2-CZ 3.9Å; F305-T307 PolarHBondContact O-N 3.04Å; F305-T307 VanDerWaalsContact O-N 3.12Å
306	D	97.8	Very high	97.8	Very high	17 Å²	17	46.8 Å²	46.8	9%	0.091	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	89.9	-177.7	-169	-19.1	0	0	0	110.1	C285 R286 V288 T308 L309 W351	C285-D306 WeakPolarHBondContact CB-O 3.34Å; R286-D306 PolarHBondContact O-N 3.47Å; V288-D306 HydrophobicContact CG2-CB 4.18Å; D306-T308 PolarHBondContact O-N 2.87Å; D306-T308 VanDerWaalsContact O-N 3.14Å; D306-T308 WeakPolarHBondContact OD1-CA 3.25Å; D306-T308 WeakPolarHBondContact OD1-CB 3.39Å; D306-T308 PolarHBondContact OD1-N 2.98Å; D306-T308 PolarHBondContact OD1-OG1 3.04Å; D306-L309 HydrophobicContact CB-CB 4.39Å; D306-L309 HydrophobicContact CB-CD1 4.41Å; D306-L309 HydrophobicContact CB-CG 4.28Å; D306-L309 PolarHBondContact O-N 2.9Å; D306-W351 PolarHBondContact OD2-NE1 3.37Å
307	T	97.1	Very high	97.7	Very high	103 Å²	103	43.3 Å²	43.3	63%	0.632	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66	-9.1	178.9	53.9	0	0	0	0	113.9	C283 F305	C283-T307 HydrophobicContact CB-CG2 4.48Å; F305-T307 PolarHBondContact O-N 3.04Å; F305-T307 VanDerWaalsContact O-N 3.12Å
308	T	97	Very high	97.7	Very high	66 Å²	66	40.1 Å²	40.1	41%	0.405	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-34.1	169	-28.4	0	0	0	0	111.3	D306 I310 W351	D306-T308 PolarHBondContact O-N 2.87Å; D306-T308 VanDerWaalsContact O-N 3.14Å; D306-T308 WeakPolarHBondContact OD1-CA 3.25Å; D306-T308 WeakPolarHBondContact OD1-CB 3.39Å; D306-T308 PolarHBondContact OD1-N 2.98Å; D306-T308 PolarHBondContact OD1-OG1 3.04Å; T308-I310 PolarHBondContact O-N 2.81Å; T308-W351 HydrophobicContact CG2-CB 4.09Å; T308-W351 HydrophobicContact CG2-CG 4.29Å
309	L	97.9	Very high	97.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	73.5	178.6	-57.1	-173.4	0	0	0	110	C285 R286 D306 F327 W351	C285-L309 VanDerWaalsContact CA-O 3.26Å; C285-L309 WeakPolarHBondContact CA-O 3.33Å; R286-L309 HydrophobicContact CB-CB 4.04Å; R286-L309 HydrophobicContact CB-CD1 4.31Å; R286-L309 HydrophobicContact CG-CB 3.5Å; R286-L309 VanDerWaalsContact CG-CB 3.5Å; R286-L309 HydrophobicContact CG-CD1 4Å; R286-L309 HydrophobicContact CG-CG 4.44Å; R286-L309 PolarHBondContact N-O 3.42Å; D306-L309 HydrophobicContact CB-CB 4.39Å; D306-L309 HydrophobicContact CB-CD1 4.41Å; D306-L309 HydrophobicContact CB-CG 4.28Å; D306-L309 PolarHBondContact O-N 2.9Å; L309-F327 HydrophobicContact CB-CE1 4.16Å; L309-F327 HydrophobicContact CB-CZ 4.46Å; L309-F327 HydrophobicContact CD1-CD1 3.96Å; L309-F327 HydrophobicContact CD1-CD2 4.22Å; L309-F327 HydrophobicContact CD1-CE1 3.96Å; L309-F327 HydrophobicContact CD1-CE2 4.23Å; L309-F327 HydrophobicContact CD1-CG 4.08Å; L309-F327 HydrophobicContact CD1-CZ 4.09Å; L309-F327 HydrophobicContact CD2-CD1 3.57Å; L309-F327 HydrophobicContact CD2-CE1 3.77Å; L309-F327 HydrophobicContact CD2-CG 4.32Å; L309-F327 HydrophobicContact CG-CD1 4.29Å; L309-F327 HydrophobicContact CG-CE1 4.18Å; L309-W351 HydrophobicContact CD1-CH2 4.43Å; L309-W351 HydrophobicContact CD1-CZ2 3.7Å; L309-W351 HydrophobicContact CD2-CD2 3.9Å; L309-W351 HydrophobicContact CD2-CE3 4.41Å; L309-W351 HydrophobicContact CD2-CG 4.23Å; L309-W351 HydrophobicContact CD2-CZ2 4.13Å; L309-W351 HydrophobicContact CG-CZ2 4.25Å
310	I	98.1	Very high	97.5	Very high	60 Å²	60	40.5 Å²	40.5	31%	0.308	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	137.6	171.5	62.4	175.4	0	0	0	110.5	H284 T308 N329	H284-I310 VanDerWaalsContact O-CA 3.32Å; H284-I310 WeakPolarHBondContact O-CA 3.47Å; T308-I310 PolarHBondContact O-N 2.81Å; I310-N329 PolarHBondContact O-ND2 3.47Å
311	D	98.3	Very high	97.5	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.011	19%	0.193	C	C	.	.			trans	-142.5	134.8	-170.4	-165.9	-101.9	0	0	0	112.8	H284 R286 V313 V314 N329 N332	H284-D311 PolarHBondContact O-N 2.93Å; R286-D311 VanDerWaalsContact CD-CG 3.46Å; R286-D311 WeakPolarHBondContact CD-OD2 3.45Å; R286-D311 HydrophobicContact CG-CB 4.4Å; R286-D311 IonicContact CZ-OD2 3.23Å; R286-D311 IonicContact NE-OD2 2.73Å; R286-D311 IonicContact NH1-OD1 3.4Å; R286-D311 PolarHBondContact NH1-OD1 2.79Å; R286-D311 VanDerWaalsContact NH1-OD1 3.16Å; R286-D311 IonicContact NH1-OD2 2.94Å; R286-D311 PolarHBondContact NH1-OD2 3Å; D311-V313 VanDerWaalsContact C-N 3.26Å; D311-V313 PolarHBondContact O-N 3.34Å; D311-V313 WeakPolarHBondContact OD1-CA 3.44Å; D311-V313 PolarHBondContact OD1-N 3.45Å; D311-V314 PolarHBondContact OD1-N 2.92Å; D311-N329 PolarHBondContact OD2-ND2 3.05Å; D311-N332 CarbonylContact C-O 3.55Å; D311-N332 VanDerWaalsContact C-O 3.28Å
312	P	98.1	Very high	97.2	Very high	12 Å²	12	32.9 Å²	32.9	8%	0.078	18%	0.181	C	C	.	.	S	Bend	trans	-96.4	35.5	178.8	39	-33.7	0	0	0	111.2	V314 P330 N332 K335 R336	P312-V314 HydrophobicContact CG-CG1 4.16Å; P312-P330 WeakPolarHBondContact CD-O 3.22Å; P312-P330 HydrophobicContact CG-CB 4.08Å; P312-P330 WeakPolarHBondContact CG-O 3.08Å; P312-N332 WeakPolarHBondContact CB-O 3.34Å; P312-N332 WeakPolarHBondContact CD-O 3.21Å; P312-N332 VanDerWaalsContact N-O 3.14Å; P312-K335 VanDerWaalsContact CB-C 3.44Å; P312-K335 WeakPolarHBondContact CB-O 3.19Å; P312-K335 WeakPolarHBondContact CG-O 3.22Å; P312-R336 HydrophobicContact CB-CG 4.42Å; P312-R336 HydrophobicContact CG-CG 4.04Å
313	V	98	Very high	97	Very high	23 Å²	23	31.4 Å²	31.4	14%	0.139	18%	0.181	C	C	.	.	S	Bend	trans	59.4	78.6	179.4	-176.1	0	0	0	0	112.5	R276 N280 D311 R336	R276-V313 HydrophobicContact CG-CG1 4.15Å; R276-V313 VanDerWaalsContact NE-CG1 3.32Å; N280-V313 WeakPolarHBondContact ND2-CG2 3.17Å; N280-V313 VanDerWaalsContact OD1-CG2 3.3Å; N280-V313 WeakPolarHBondContact OD1-CG2 3.34Å; D311-V313 VanDerWaalsContact C-N 3.26Å; D311-V313 PolarHBondContact O-N 3.34Å; D311-V313 WeakPolarHBondContact OD1-CA 3.44Å; D311-V313 PolarHBondContact OD1-N 3.45Å; V313-R336 PolarHBondContact O-NE 3.05Å; V313-R336 PolarHBondContact O-NH2 3.11Å
314	V	97.8	Very high	96.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.178	C	C	.	.			trans	-154.8	161.1	-174.9	67.1	0	0	0	0	112.8	R286 D311 P312 P330 R336 Y365	R286-V314 PolarHBondContact NH1-O 3.42Å; D311-V314 PolarHBondContact OD1-N 2.92Å; P312-V314 HydrophobicContact CG-CG1 4.16Å; V314-P330 HydrophobicContact CG1-CG 4.05Å; V314-R336 HydrophobicContact CB-CG 4.35Å; V314-R336 HydrophobicContact CG2-CG 4.4Å; V314-Y365 HydrophobicContact CG2-CD1 3.55Å; V314-Y365 HydrophobicContact CG2-CE1 3.76Å; V314-Y365 HydrophobicContact CG2-CG 4.26Å
315	A	97.5	Very high	97	Very high	2 Å²	2	27 Å²	27	2%	0.017	16%	0.155	C	C	.	.			trans	-67.2	146.6	167.8	0	0	0	0	0	111	P196 E260 Y365	P196-A315 HydrophobicContact CG-CB 3.92Å; E260-A315 HydrophobicContact CB-CB 4.33Å; E260-A315 WeakPolarHBondContact OE2-CA 3.48Å; E260-A315 WeakPolarHBondContact OE2-CB 3.46Å; E260-A315 PolarHBondContact OE2-N 2.6Å; A315-Y365 HydrophobicContact CB-CD2 3.35Å; A315-Y365 HydrophobicContact CB-CE2 3.62Å; A315-Y365 HydrophobicContact CB-CG 3.96Å
316	A	97.8	Very high	97	Very high	4 Å²	4	24.2 Å²	24.2	3%	0.033	14%	0.143	C	C	.	.			trans	-139.3	143.6	-173.1	0	0	0	0	0	111.1	F327 T328 N329 S366	A316-F327 HydrophobicContact CB-CD2 4.46Å; A316-F327 HydrophobicContact CB-CE2 3.47Å; A316-F327 VanDerWaalsContact CB-CE2 3.47Å; A316-F327 HydrophobicContact CB-CZ 3.74Å; A316-T328 CarbonylContact C-O 3.48Å; A316-T328 WeakPolarHBondContact CA-O 3.35Å; A316-T328 WeakPolarHBondContact CB-O 3.33Å; A316-N329 HydrophobicContact CB-CB 3.82Å; A316-S366 CarbonylContact C-O 3.57Å
317	G	97.6	Very high	97	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	141.1	178	0	0	0	0	0	111.3	F327 T328 S366	G317-F327 CarbonylContact O-C 3.29Å; G317-F327 VanDerWaalsContact O-CA 3.32Å; G317-F327 WeakPolarHBondContact O-CA 3.5Å; G317-F327 VanDerWaalsContact O-CD2 3.3Å; G317-F327 WeakPolarHBondContact O-CD2 3.4Å; G317-T328 PolarHBondContact N-O 3.07Å; G317-T328 PolarHBondContact O-N 2.87Å; G317-S366 PolarHBondContact N-O 3.44Å; G317-S366 VanDerWaalsContact N-O 3.14Å; G317-S366 PolarHBondContact N-OG 3.39Å
318	A	97.2	Very high	97.1	Very high	5 Å²	5	18.6 Å²	18.6	4%	0.041	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	137.3	172.2	0	0	0	0	0	111.2	Q262 V264 N274 Y326 F327	Q262-A318 VanDerWaalsContact NE2-N 3.16Å; Q262-A318 PolarHBondContact NE2-O 2.8Å; V264-A318 HydrophobicContact CG2-CB 3.69Å; V264-A318 WeakPolarHBondContact CG2-O 3.11Å; N274-A318 HydrophobicContact CB-CB 4.3Å; A318-Y326 WeakPolarHBondContact CA-O 3.21Å; A318-F327 HydrophobicContact CB-CD2 4.45Å
319	L	96.9	Very high	97.2	Very high	23 Å²	23	15.4 Å²	15.4	12%	0.12	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	136.9	-177.6	174.7	67	0	0	0	109.3	K321 L325 Y326 M368 I382	L319-K321 HydrophobicContact CG-CB 4.48Å; L319-L325 CarbonylContact O-C 3.53Å; L319-Y326 PolarHBondContact N-O 3.1Å; L319-Y326 PolarHBondContact O-N 2.9Å; L319-M368 HydrophobicContact CB-CG 3.83Å; L319-M368 HydrophobicContact CB-SD 3.39Å; L319-M368 WeakPolarHBondContact CB-SD 3.32Å; L319-M368 PolarHBondContact N-SD 2.95Å; L319-M368 VanDerWaalsContact N-SD 3.43Å; L319-I382 HydrophobicContact CD2-CB 4.28Å; L319-I382 HydrophobicContact CD2-CG2 3.85Å
320	Q	95.9	Very high	97.2	Very high	34 Å²	34	15.4 Å²	15.4	16%	0.159	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	123.6	164.6	-173.7	-83.1	112.2	0	0	107.8	V264 E265 M267 V324 L325	V264-Q320 HydrophobicContact CG1-CB 3.37Å; V264-Q320 VanDerWaalsContact CG1-N 3.31Å; E265-Q320 WeakPolarHBondContact O-CB 3.18Å; E265-Q320 PolarHBondContact O-NE2 2.87Å; M267-Q320 PolarHBondContact SD-NE2 3.14Å; M267-Q320 VanDerWaalsContact SD-NE2 3.42Å; Q320-V324 WeakPolarHBondContact CA-O 3.38Å; Q320-L325 HydrophobicContact CB-CD1 4.3Å
321	K	94.7	Very high	97.2	Very high	13 Å²	13	13 Å²	13	6%	0.057	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	127.8	174.3	171.3	164.5	-179.9	51.3	0	108.7	L319 G323 V324 Y326 I382	L319-K321 HydrophobicContact CG-CB 4.48Å; K321-G323 PolarHBondContact O-N 2.98Å; K321-G323 VanDerWaalsContact O-N 3.15Å; K321-V324 PolarHBondContact N-O 2.92Å; K321-V324 WeakPolarHBondContact O-CB 3.26Å; K321-V324 PolarHBondContact O-N 2.8Å; K321-Y326 HydrophobicContact CB-CD2 4.47Å; K321-Y326 HydrophobicContact CB-CE2 4.13Å; K321-I382 HydrophobicContact CD-CG2 4.21Å
322	D	91.7	Very high	97.2	Very high	96 Å²	96	15 Å²	15	51%	0.513	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	37.1	172.2	-47.3	-27.8	0	0	0	113.7
323	G	93.5	Very high	97.1	Very high	26 Å²	26	17.1 Å²	17.1	27%	0.268	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	0.7	-178.9	0	0	0	0	0	115.4	K321	K321-G323 PolarHBondContact O-N 2.98Å; K321-G323 VanDerWaalsContact O-N 3.15Å
324	V	96.9	Very high	97	Very high	16 Å²	16	22.4 Å²	22.4	10%	0.097	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128.1	180	-172	0	0	0	0	109.8	L51 Q320 K321 Y326 W343 L345	L51-V324 HydrophobicContact CD1-CG1 3.93Å; L51-V324 HydrophobicContact CD1-CG2 4.04Å; Q320-V324 WeakPolarHBondContact CA-O 3.38Å; K321-V324 PolarHBondContact N-O 2.92Å; K321-V324 WeakPolarHBondContact O-CB 3.26Å; K321-V324 PolarHBondContact O-N 2.8Å; V324-Y326 HydrophobicContact CB-CD2 4.44Å; V324-Y326 HydrophobicContact CB-CE2 3.64Å; V324-Y326 HydrophobicContact CG1-CD1 4.48Å; V324-Y326 HydrophobicContact CG1-CD2 4.3Å; V324-Y326 HydrophobicContact CG1-CE1 3.89Å; V324-Y326 HydrophobicContact CG1-CE2 3.68Å; V324-Y326 VanDerWaalsContact CG1-CZ 3.44Å; V324-W343 HydrophobicContact CG1-CB 4Å; V324-L345 HydrophobicContact CG1-CD2 4.22Å; V324-L345 HydrophobicContact CG2-CD2 3.96Å
325	L	98.2	Very high	97.1	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	116.3	174	-178.8	70.5	0	0	0	109.9	V264 L272 L319 Q320 W343 S344 W351	V264-L325 HydrophobicContact CG1-CD1 3.97Å; L272-L325 HydrophobicContact CD1-CD2 4.04Å; L319-L325 CarbonylContact O-C 3.53Å; Q320-L325 HydrophobicContact CB-CD1 4.3Å; L325-W343 CarbonylContact O-C 3.53Å; L325-W343 VanDerWaalsContact O-CA 3.23Å; L325-W343 WeakPolarHBondContact O-CA 3.24Å; L325-S344 PolarHBondContact N-O 2.77Å; L325-S344 PolarHBondContact O-N 2.94Å; L325-W351 HydrophobicContact CD2-CH2 3.83Å; L325-W351 HydrophobicContact CD2-CZ2 4.12Å; L325-W351 HydrophobicContact CG-CH2 3.99Å; L325-W351 WeakPolarHBondContact O-CZ3 3.34Å
326	Y	98.4	Very high	97.1	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	148.3	175.6	-61.4	-82	0	0	0	111	A318 L319 K321 V324 L341 W343 I382 L404	A318-Y326 WeakPolarHBondContact CA-O 3.21Å; L319-Y326 PolarHBondContact N-O 3.1Å; L319-Y326 PolarHBondContact O-N 2.9Å; K321-Y326 HydrophobicContact CB-CD2 4.47Å; K321-Y326 HydrophobicContact CB-CE2 4.13Å; V324-Y326 HydrophobicContact CB-CD2 4.44Å; V324-Y326 HydrophobicContact CB-CE2 3.64Å; V324-Y326 HydrophobicContact CG1-CD1 4.48Å; V324-Y326 HydrophobicContact CG1-CD2 4.3Å; V324-Y326 HydrophobicContact CG1-CE1 3.89Å; V324-Y326 HydrophobicContact CG1-CE2 3.68Å; V324-Y326 VanDerWaalsContact CG1-CZ 3.44Å; Y326-L341 HydrophobicContact CD1-CD1 4.2Å; Y326-W343 HydrophobicContact CD1-CB 3.64Å; Y326-W343 HydrophobicContact CE1-CB 3.78Å; Y326-W343 HydrophobicContact CE1-CG 4.32Å; Y326-W343 HydrophobicContact CG-CB 4.48Å; Y326-I382 HydrophobicContact CD1-CD1 3.77Å; Y326-I382 HydrophobicContact CD2-CD1 4.47Å; Y326-I382 HydrophobicContact CD2-CG2 4.48Å; Y326-I382 HydrophobicContact CE1-CD1 4.33Å; Y326-I382 HydrophobicContact CE2-CG2 4.49Å; Y326-I382 HydrophobicContact CG-CD1 3.86Å; Y326-L404 HydrophobicContact CD1-CD2 4.44Å; Y326-L404 HydrophobicContact CE1-CD2 3.57Å
327	F	98.7	Very high	97.2	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	137.1	179.8	173.1	-99.2	0	0	0	111.9	N274 R286 L309 A316 G317 A318 N329 L341 R342 W351	N274-F327 WeakPolarHBondContact ND2-CD2 3.38Å; N274-F327 VanDerWaalsContact ND2-CE2 3.28Å; N274-F327 WeakPolarHBondContact ND2-CE2 3.42Å; N274-F327 WeakPolarHBondContact OD1-CE2 3.41Å; R286-F327 HydrophobicContact CG-CE2 4.2Å; R286-F327 HydrophobicContact CG-CZ 3.72Å; L309-F327 HydrophobicContact CB-CE1 4.16Å; L309-F327 HydrophobicContact CB-CZ 4.46Å; L309-F327 HydrophobicContact CD1-CD1 3.96Å; L309-F327 HydrophobicContact CD1-CD2 4.22Å; L309-F327 HydrophobicContact CD1-CE1 3.96Å; L309-F327 HydrophobicContact CD1-CE2 4.23Å; L309-F327 HydrophobicContact CD1-CG 4.08Å; L309-F327 HydrophobicContact CD1-CZ 4.09Å; L309-F327 HydrophobicContact CD2-CD1 3.57Å; L309-F327 HydrophobicContact CD2-CE1 3.77Å; L309-F327 HydrophobicContact CD2-CG 4.32Å; L309-F327 HydrophobicContact CG-CD1 4.29Å; L309-F327 HydrophobicContact CG-CE1 4.18Å; A316-F327 HydrophobicContact CB-CD2 4.46Å; A316-F327 HydrophobicContact CB-CE2 3.47Å; A316-F327 VanDerWaalsContact CB-CE2 3.47Å; A316-F327 HydrophobicContact CB-CZ 3.74Å; G317-F327 CarbonylContact O-C 3.29Å; G317-F327 VanDerWaalsContact O-CA 3.32Å; G317-F327 WeakPolarHBondContact O-CA 3.5Å; G317-F327 VanDerWaalsContact O-CD2 3.3Å; G317-F327 WeakPolarHBondContact O-CD2 3.4Å; A318-F327 HydrophobicContact CB-CD2 4.45Å; F327-N329 HydrophobicContact CE1-CB 3.8Å; F327-N329 VanDerWaalsContact CE1-CG 3.45Å; F327-N329 WeakPolarHBondContact CE1-OD1 3.18Å; F327-N329 HydrophobicContact CZ-CB 3.64Å; F327-L341 WeakPolarHBondContact O-CA 3.14Å; F327-R342 PolarHBondContact N-O 2.92Å; F327-R342 PolarHBondContact O-N 2.9Å; F327-W351 HydrophobicContact CB-CH2 3.59Å; F327-W351 HydrophobicContact CB-CZ3 3.67Å; F327-W351 HydrophobicContact CG-CH2 4.43Å
328	T	98.7	Very high	97.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	126.6	172.2	52.5	0	0	0	0	112.4	A316 G317 T340 L341 I358 S366 M368 V384	A316-T328 CarbonylContact C-O 3.48Å; A316-T328 WeakPolarHBondContact CA-O 3.35Å; A316-T328 WeakPolarHBondContact CB-O 3.33Å; G317-T328 PolarHBondContact N-O 3.07Å; G317-T328 PolarHBondContact O-N 2.87Å; T328-T340 WeakPolarHBondContact CA-O 3.34Å; T328-L341 HydrophobicContact CG2-CB 3.96Å; T328-L341 HydrophobicContact CG2-CD1 3.78Å; T328-I358 HydrophobicContact CG2-CD1 3.7Å; T328-S366 PolarHBondContact O-OG 2.9Å; T328-S366 PolarHBondContact OG1-OG 2.76Å; T328-M368 HydrophobicContact CG2-CE 3.45Å; T328-M368 VanDerWaalsContact CG2-CE 3.45Å; T328-M368 WeakPolarHBondContact OG1-CE 3.42Å; T328-V384 HydrophobicContact CG2-CG1 4.19Å; T328-V384 HydrophobicContact CG2-CG2 4.31Å
329	N	98.7	Very high	97.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	167.8	162.3	79.3	-21.2	0	0	0	110.8	I310 D311 A316 F327 S331 L339 T340	I310-N329 PolarHBondContact O-ND2 3.47Å; D311-N329 PolarHBondContact OD2-ND2 3.05Å; A316-N329 HydrophobicContact CB-CB 3.82Å; F327-N329 HydrophobicContact CE1-CB 3.8Å; F327-N329 VanDerWaalsContact CE1-CG 3.45Å; F327-N329 WeakPolarHBondContact CE1-OD1 3.18Å; F327-N329 HydrophobicContact CZ-CB 3.64Å; N329-S331 PolarHBondContact O-N 3.16Å; N329-L339 WeakPolarHBondContact O-CA 3.18Å; N329-T340 PolarHBondContact N-O 2.73Å; N329-T340 PolarHBondContact O-N 3.33Å
330	P	98.7	Very high	97.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	98.5	163.5	-16.1	31.9	0	0	0	108.2	P312 V314 N332 V337 L339 S363 G364	P312-P330 WeakPolarHBondContact CD-O 3.22Å; P312-P330 HydrophobicContact CG-CB 4.08Å; P312-P330 WeakPolarHBondContact CG-O 3.08Å; V314-P330 HydrophobicContact CG1-CG 4.05Å; P330-N332 PolarHBondContact O-N 2.95Å; P330-V337 CarbonylContact C-O 3.52Å; P330-V337 VanDerWaalsContact CA-O 3.26Å; P330-V337 WeakPolarHBondContact CA-O 3.43Å; P330-V337 WeakPolarHBondContact CB-O 2.99Å; P330-L339 HydrophobicContact CG-CD1 4.45Å; P330-S363 WeakPolarHBondContact CG-O 3.2Å; P330-G364 VanDerWaalsContact CG-O 3.25Å; P330-G364 WeakPolarHBondContact CG-O 3.49Å
331	S	98	Very high	97.5	Very high	10 Å²	10	33 Å²	33	7%	0.07	17%	0.169	C	C	.	.			trans	-79.3	71.9	-169.1	171.9	0	0	0	0	110.7	N329 N338 R342	N329-S331 PolarHBondContact O-N 3.16Å; S331-N338 PolarHBondContact N-O 2.73Å; S331-N338 PolarHBondContact O-ND2 2.89Å; S331-N338 VanDerWaalsContact O-ND2 3.16Å; S331-R342 PolarHBondContact OG-NH2 2.99Å
332	N	98.3	Very high	97.7	Very high	43 Å²	43	34.5 Å²	34.5	23%	0.23	17%	0.174	C	C	.	.			trans	-145.9	156	171.4	176.9	-109.2	0	0	0	109.6	D311 P312 P330 Q334 K335 V337	D311-N332 CarbonylContact C-O 3.55Å; D311-N332 VanDerWaalsContact C-O 3.28Å; P312-N332 WeakPolarHBondContact CB-O 3.34Å; P312-N332 WeakPolarHBondContact CD-O 3.21Å; P312-N332 VanDerWaalsContact N-O 3.14Å; P330-N332 PolarHBondContact O-N 2.95Å; N332-Q334 PolarHBondContact OD1-N 3.4Å; N332-K335 WeakPolarHBondContact OD1-CB 3.46Å; N332-K335 PolarHBondContact OD1-N 3.09Å; N332-K335 PolarHBondContact OD1-O 2.64Å; N332-V337 HydrophobicContact CB-CG2 4.12Å
333	D	96.5	Very high	98	Very high	57 Å²	57	30.3 Å²	30.3	31%	0.305	15%	0.151	S	C	.	.	S	Bend	trans	-79.4	-25.4	-176.6	61.4	-38	0	0	0	114.4	H284	H284-D333 HydrophobicContact CB-CB 4.02Å; H284-D333 PolarHBondContact ND1-O 3.3Å
334	Q	96.4	Very high	98.2	Very high	134 Å²	134	29.1 Å²	29.1	63%	0.626	14%	0.139	S	C	*	.	S	Bend	trans	-127.8	-20.9	-167.4	-72	167.6	49.3	0	0	114.8	N332	N332-Q334 PolarHBondContact OD1-N 3.4Å
335	K	98.1	Very high	98.2	Very high	134 Å²	134	33.1 Å²	33.1	58%	0.583	16%	0.159	S	C	*	.	S	Bend	trans	-136.1	139.1	-168.6	-61.7	178.5	-175.2	174.6	0	111.2	P312 N332 V337	P312-K335 VanDerWaalsContact CB-C 3.44Å; P312-K335 WeakPolarHBondContact CB-O 3.19Å; P312-K335 WeakPolarHBondContact CG-O 3.22Å; N332-K335 WeakPolarHBondContact OD1-CB 3.46Å; N332-K335 PolarHBondContact OD1-N 3.09Å; N332-K335 PolarHBondContact OD1-O 2.64Å; K335-V337 HydrophobicContact CB-CG1 4.27Å; K335-V337 HydrophobicContact CB-CG2 4.01Å; K335-V337 PolarHBondContact O-N 3.36Å
336	R	98.5	Very high	98.1	Very high	65 Å²	65	35.3 Å²	35.3	25%	0.245	17%	0.173	C	C	.	.	S	Bend	trans	-74.2	74.8	173.1	-69.5	179.3	179.7	-175.5	-6.6	110.3	P312 V313 V314 S363 I393	P312-R336 HydrophobicContact CB-CG 4.42Å; P312-R336 HydrophobicContact CG-CG 4.04Å; V313-R336 PolarHBondContact O-NE 3.05Å; V313-R336 PolarHBondContact O-NH2 3.11Å; V314-R336 HydrophobicContact CB-CG 4.35Å; V314-R336 HydrophobicContact CG2-CG 4.4Å; R336-S363 CarbonylContact C-O 3.59Å; R336-S363 WeakPolarHBondContact CA-O 3.3Å; R336-S363 WeakPolarHBondContact CB-O 3.37Å; R336-S363 PolarHBondContact O-N 3.03Å; R336-S363 VanDerWaalsContact O-O 3.05Å; R336-I393 HydrophobicContact CB-CD1 4.25Å; R336-I393 HydrophobicContact CB-CG2 3.93Å; R336-I393 VanDerWaalsContact O-CG2 3.29Å; R336-I393 WeakPolarHBondContact O-CG2 3.01Å
337	V	98.6	Very high	98	Very high	43 Å²	43	36.7 Å²	36.7	26%	0.261	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	166.9	179.1	-60.3	0	0	0	0	110	P330 N332 K335 G361	P330-V337 CarbonylContact C-O 3.52Å; P330-V337 VanDerWaalsContact CA-O 3.26Å; P330-V337 WeakPolarHBondContact CA-O 3.43Å; P330-V337 WeakPolarHBondContact CB-O 2.99Å; N332-V337 HydrophobicContact CB-CG2 4.12Å; K335-V337 HydrophobicContact CB-CG1 4.27Å; K335-V337 HydrophobicContact CB-CG2 4.01Å; K335-V337 PolarHBondContact O-N 3.36Å; V337-G361 VanDerWaalsContact CA-O 3.27Å; V337-G361 WeakPolarHBondContact CA-O 3.32Å
338	N	98.4	Very high	97.8	Very high	41 Å²	41	37.4 Å²	37.4	22%	0.219	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	62.2	54.8	173.1	-174.6	52.9	0	0	0	113.4	S331 T340 Q357 W359 G361	S331-N338 PolarHBondContact N-O 2.73Å; S331-N338 PolarHBondContact O-ND2 2.89Å; S331-N338 VanDerWaalsContact O-ND2 3.16Å; N338-T340 PolarHBondContact ND2-OG1 3.16Å; N338-T340 PolarHBondContact O-N 3.26Å; N338-T340 VanDerWaalsContact O-N 3.14Å; N338-T340 PolarHBondContact O-OG1 3.03Å; N338-Q357 PolarHBondContact OD1-NE2 2.97Å; N338-W359 CarbonylContact C-O 3.12Å; N338-W359 WeakPolarHBondContact CA-O 3.43Å; N338-G361 PolarHBondContact N-O 2.54Å
339	L	98.9	Very high	97.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	121.9	172.9	-171.2	76.3	0	0	0	109.8	N329 P330 I358 W359 S363 Y386	N329-L339 WeakPolarHBondContact O-CA 3.18Å; P330-L339 HydrophobicContact CG-CD1 4.45Å; L339-I358 HydrophobicContact CB-CB 4.42Å; L339-I358 HydrophobicContact CD2-CB 3.99Å; L339-I358 HydrophobicContact CD2-CD1 4.04Å; L339-I358 HydrophobicContact CD2-CG2 3.91Å; L339-I358 HydrophobicContact CG-CB 4.26Å; L339-I358 HydrophobicContact CG-CD1 4.3Å; L339-I358 PolarHBondContact O-N 3.08Å; L339-W359 HydrophobicContact CB-CB 4.29Å; L339-W359 PolarHBondContact N-O 2.99Å; L339-W359 PolarHBondContact O-N 3.38Å; L339-S363 PolarHBondContact N-OG 2.98Å; L339-Y386 HydrophobicContact CD2-CD1 3.85Å; L339-Y386 HydrophobicContact CD2-CD2 3.33Å; L339-Y386 HydrophobicContact CD2-CE1 4.33Å; L339-Y386 HydrophobicContact CD2-CE2 3.82Å; L339-Y386 HydrophobicContact CD2-CG 3.31Å
340	T	98.9	Very high	97.5	Very high	6 Å²	6	48.8 Å²	48.8	4%	0.037	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	130.4	-170	-60.8	0	0	0	0	110.2	T328 N329 N338 R342 A355 V356	T328-T340 WeakPolarHBondContact CA-O 3.34Å; N329-T340 PolarHBondContact N-O 2.73Å; N329-T340 PolarHBondContact O-N 3.33Å; N338-T340 PolarHBondContact ND2-OG1 3.16Å; N338-T340 PolarHBondContact O-N 3.26Å; N338-T340 VanDerWaalsContact O-N 3.14Å; N338-T340 PolarHBondContact O-OG1 3.03Å; T340-R342 HydrophobicContact CG2-CG 4.36Å; T340-A355 HydrophobicContact CG2-CB 3.66Å; T340-V356 CarbonylContact C-O 3.6Å; T340-V356 VanDerWaalsContact CA-O 3.29Å; T340-V356 WeakPolarHBondContact CA-O 3.27Å
341	L	98.9	Very high	97.5	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	132.3	165.9	176.1	71.5	0	0	0	110.2	P53 Y326 F327 T328 W343 A355 V356 I358 M368 I382 I402	P53-L341 HydrophobicContact CB-CD2 4.11Å; Y326-L341 HydrophobicContact CD1-CD1 4.2Å; F327-L341 WeakPolarHBondContact O-CA 3.14Å; T328-L341 HydrophobicContact CG2-CB 3.96Å; T328-L341 HydrophobicContact CG2-CD1 3.78Å; L341-W343 HydrophobicContact CG-CE3 4.43Å; L341-A355 WeakPolarHBondContact O-CA 3.43Å; L341-A355 WeakPolarHBondContact O-CB 3.49Å; L341-V356 HydrophobicContact CB-CB 4.2Å; L341-V356 PolarHBondContact N-O 3.06Å; L341-V356 PolarHBondContact O-N 3.37Å; L341-I358 HydrophobicContact CB-CD1 4.22Å; L341-M368 HydrophobicContact CD1-CE 4.18Å; L341-I382 HydrophobicContact CD1-CD1 3.99Å; L341-I382 HydrophobicContact CD2-CD1 4.07Å; L341-I402 HydrophobicContact CD2-CD1 3.92Å; L341-I402 HydrophobicContact CD2-CG2 3.87Å
342	R	98.7	Very high	97.5	Very high	45 Å²	45	52.6 Å²	52.6	17%	0.17	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	157	167.2	-61	176.6	179.4	-84.5	-0.3	109.2	F327 S331 T340 W351 A355	F327-R342 PolarHBondContact N-O 2.92Å; F327-R342 PolarHBondContact O-N 2.9Å; S331-R342 PolarHBondContact OG-NH2 2.99Å; T340-R342 HydrophobicContact CG2-CG 4.36Å; R342-W351 HydrophobicContact CB-CD2 4.49Å; R342-W351 HydrophobicContact CB-CE3 3.72Å; R342-W351 HydrophobicContact CB-CZ3 4.23Å; R342-A355 HydrophobicContact CG-CB 4.27Å
343	W	98.5	Very high	97.3	Very high	9 Å²	9	58.7 Å²	58.7	3%	0.034	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	157.1	173.1	61.3	101.1	0	0	0	112.3	P53 V324 L325 Y326 L341 E352 K354 V356	P53-W343 HydrophobicContact CB-CZ3 4.45Å; P53-W343 VanDerWaalsContact CD-CH2 3.45Å; P53-W343 VanDerWaalsContact CD-CZ2 3.46Å; P53-W343 HydrophobicContact CG-CD2 4.14Å; P53-W343 HydrophobicContact CG-CE3 4.02Å; P53-W343 HydrophobicContact CG-CH2 3.92Å; P53-W343 HydrophobicContact CG-CZ2 4.02Å; P53-W343 HydrophobicContact CG-CZ3 3.93Å; V324-W343 HydrophobicContact CG1-CB 4Å; L325-W343 CarbonylContact O-C 3.53Å; L325-W343 VanDerWaalsContact O-CA 3.23Å; L325-W343 WeakPolarHBondContact O-CA 3.24Å; Y326-W343 HydrophobicContact CD1-CB 3.64Å; Y326-W343 HydrophobicContact CE1-CB 3.78Å; Y326-W343 HydrophobicContact CE1-CG 4.32Å; Y326-W343 HydrophobicContact CG-CB 4.48Å; L341-W343 HydrophobicContact CG-CE3 4.43Å; W343-E352 HydrophobicContact CG-CG 4.48Å; W343-E352 HydrophobicContact CZ2-CB 4.48Å; W343-E352 PolarHBondContact O-N 3.24Å; W343-K354 HydrophobicContact CH2-CB 3.49Å; W343-K354 VanDerWaalsContact CH2-CB 3.49Å; W343-K354 HydrophobicContact CH2-CD 4.43Å; W343-K354 HydrophobicContact CZ2-CB 3.66Å; W343-K354 HydrophobicContact CZ2-CD 4.21Å; W343-V356 HydrophobicContact CZ3-CG2 4.12Å
344	S	98.2	Very high	97.3	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	125.8	-176.9	174.3	0	0	0	0	110.1	L325 T346 G348 T350	L325-S344 PolarHBondContact N-O 2.77Å; L325-S344 PolarHBondContact O-N 2.94Å; S344-T346 PolarHBondContact OG-N 3.13Å; S344-T346 PolarHBondContact OG-OG1 3.19Å; S344-G348 WeakPolarHBondContact OG-CA 3.44Å; S344-G348 PolarHBondContact OG-N 3.25Å; S344-T350 WeakPolarHBondContact CB-O 3.42Å; S344-T350 PolarHBondContact OG-O 3.43Å
345	L	96.8	Very high	97.3	Very high	100 Å²	100	56.5 Å²	56.5	52%	0.524	29%	0.287	S	S	.	.	S	Bend	trans	-86.4	9.6	171.6	-58.7	178.8	0	0	0	112.5	L51 V324	L51-L345 HydrophobicContact CD1-CD2 3.91Å; V324-L345 HydrophobicContact CG1-CD2 4.22Å; V324-L345 HydrophobicContact CG2-CD2 3.96Å
346	T	96.3	Very high	97.3	Very high	50 Å²	50	51.1 Å²	51.1	31%	0.307	27%	0.265	S	S	.	.	S	Bend	trans	-133.8	28.1	-168.6	62.5	0	0	0	0	113.1	S344 G348 K349 T350	S344-T346 PolarHBondContact OG-N 3.13Å; S344-T346 PolarHBondContact OG-OG1 3.19Å; T346-G348 VanDerWaalsContact C-N 3.25Å; T346-G348 PolarHBondContact O-N 2.81Å; T346-K349 WeakPolarHBondContact O-CB 3.24Å; T346-K349 VanDerWaalsContact O-CG 3.31Å; T346-K349 WeakPolarHBondContact O-CG 3.39Å; T346-K349 PolarHBondContact O-N 2.86Å; T346-K349 PolarHBondContact OG1-N 3.22Å; T346-T350 WeakPolarHBondContact CG2-OG1 3.49Å; T346-T350 PolarHBondContact OG1-N 3.23Å; T346-T350 PolarHBondContact OG1-O 2.65Å; T346-T350 VanDerWaalsContact OG1-O 3.14Å; T346-T350 PolarHBondContact OG1-OG1 3.34Å
347	N	94.4	Very high	97.3	Very high	32 Å²	32	53.2 Å²	53.2	17%	0.171	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	39.6	-176.8	-65.7	-5	0	0	0	113.3	L266 R290	L266-N347 HydrophobicContact CD1-CB 4.02Å; L266-N347 HydrophobicContact CD2-CB 4.05Å; R290-N347 PolarHBondContact NH2-O 2.76Å
348	G	95.3	Very high	97.3	Very high	16 Å²	16	51.8 Å²	51.8	17%	0.165	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	12.2	178.9	0	0	0	0	0	115.3	S344 T346	S344-G348 WeakPolarHBondContact OG-CA 3.44Å; S344-G348 PolarHBondContact OG-N 3.25Å; T346-G348 VanDerWaalsContact C-N 3.25Å; T346-G348 PolarHBondContact O-N 2.81Å
349	K	95.1	Very high	97.3	Very high	164 Å²	164	51.9 Å²	51.9	71%	0.713	27%	0.266	S	S	*	.	S	Bend	trans	-77.2	-31.1	174.7	-66.9	174.1	-177.6	175.4	0	112.8	T346	T346-K349 WeakPolarHBondContact O-CB 3.24Å; T346-K349 VanDerWaalsContact O-CG 3.31Å; T346-K349 WeakPolarHBondContact O-CG 3.39Å; T346-K349 PolarHBondContact O-N 2.86Å; T346-K349 PolarHBondContact OG1-N 3.22Å
350	T	97.1	Very high	97.3	Very high	76 Å²	76	55.6 Å²	55.6	47%	0.466	29%	0.29	S	S	.	.	S	Bend	trans	-147.2	146.3	177	56.5	0	0	0	0	109	S344 T346	S344-T350 WeakPolarHBondContact CB-O 3.42Å; S344-T350 PolarHBondContact OG-O 3.43Å; T346-T350 WeakPolarHBondContact CG2-OG1 3.49Å; T346-T350 PolarHBondContact OG1-N 3.23Å; T346-T350 PolarHBondContact OG1-O 2.65Å; T346-T350 VanDerWaalsContact OG1-O 3.14Å; T346-T350 PolarHBondContact OG1-OG1 3.34Å
351	W	97.9	Very high	97.3	Very high	25 Å²	25	56.1 Å²	56.1	10%	0.095	30%	0.297	C	S	.	.			trans	-109.1	150.8	175.9	-61.5	86.5	0	0	0	110.5	D306 T308 L309 L325 F327 R342	D306-W351 PolarHBondContact OD2-NE1 3.37Å; T308-W351 HydrophobicContact CG2-CB 4.09Å; T308-W351 HydrophobicContact CG2-CG 4.29Å; L309-W351 HydrophobicContact CD1-CH2 4.43Å; L309-W351 HydrophobicContact CD1-CZ2 3.7Å; L309-W351 HydrophobicContact CD2-CD2 3.9Å; L309-W351 HydrophobicContact CD2-CE3 4.41Å; L309-W351 HydrophobicContact CD2-CG 4.23Å; L309-W351 HydrophobicContact CD2-CZ2 4.13Å; L309-W351 HydrophobicContact CG-CZ2 4.25Å; L325-W351 HydrophobicContact CD2-CH2 3.83Å; L325-W351 HydrophobicContact CD2-CZ2 4.12Å; L325-W351 HydrophobicContact CG-CH2 3.99Å; L325-W351 WeakPolarHBondContact O-CZ3 3.34Å; F327-W351 HydrophobicContact CB-CH2 3.59Å; F327-W351 HydrophobicContact CB-CZ3 3.67Å; F327-W351 HydrophobicContact CG-CH2 4.43Å; R342-W351 HydrophobicContact CB-CD2 4.49Å; R342-W351 HydrophobicContact CB-CE3 3.72Å; R342-W351 HydrophobicContact CB-CZ3 4.23Å
352	E	97.7	Very high	97.3	Very high	65 Å²	65	57.3 Å²	57.3	30%	0.304	30%	0.304	S	S	.	.			trans	-65.9	148.8	177.1	-69.5	-51.7	135.7	0	0	112.4	W343 K354	W343-E352 HydrophobicContact CG-CG 4.48Å; W343-E352 HydrophobicContact CZ2-CB 4.48Å; W343-E352 PolarHBondContact O-N 3.24Å; E352-K354 PolarHBondContact O-N 2.86Å
353	N	94.8	Very high	97.3	Very high	171 Å²	171	55.1 Å²	55.1	91%	0.914	30%	0.296	S	S	*	.	S	Bend	trans	-70.7	-18.9	177.4	-70	-64.5	0	0	0	112.5
354	K	95.4	Very high	97.2	Very high	96 Å²	96	54.7 Å²	54.7	42%	0.417	30%	0.295	S	S	.	.			trans	-81.3	146.9	168.4	-70.3	-175.5	178.5	-179.9	0	110.1	D52 W343 E352	D52-K354 IonicContact OD1-NZ 3.14Å; D52-K354 PolarHBondContact OD1-NZ 3.14Å; W343-K354 HydrophobicContact CH2-CB 3.49Å; W343-K354 VanDerWaalsContact CH2-CB 3.49Å; W343-K354 HydrophobicContact CH2-CD 4.43Å; W343-K354 HydrophobicContact CZ2-CB 3.66Å; W343-K354 HydrophobicContact CZ2-CD 4.21Å; E352-K354 PolarHBondContact O-N 2.86Å
355	A	97.3	Very high	97.2	Very high	48 Å²	48	55.4 Å²	55.4	40%	0.397	30%	0.297	S	S	.	.			trans	-148.3	153.3	170.3	0	0	0	0	0	109.4	T340 L341 R342	T340-A355 HydrophobicContact CG2-CB 3.66Å; L341-A355 WeakPolarHBondContact O-CA 3.43Å; L341-A355 WeakPolarHBondContact O-CB 3.49Å; R342-A355 HydrophobicContact CG-CB 4.27Å
356	V	98.4	Very high	97.3	Very high	21 Å²	21	50.8 Å²	50.8	13%	0.127	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	115.7	176.7	-174.6	0	0	0	0	109.3	P53 V55 T340 L341 W343 I358	P53-V356 HydrophobicContact CB-CG2 4.01Å; P53-V356 WeakPolarHBondContact O-CG2 3.5Å; V55-V356 HydrophobicContact CG2-CG1 4.07Å; T340-V356 CarbonylContact C-O 3.6Å; T340-V356 VanDerWaalsContact CA-O 3.29Å; T340-V356 WeakPolarHBondContact CA-O 3.27Å; L341-V356 HydrophobicContact CB-CB 4.2Å; L341-V356 PolarHBondContact N-O 3.06Å; L341-V356 PolarHBondContact O-N 3.37Å; W343-V356 HydrophobicContact CZ3-CG2 4.12Å; V356-I358 PolarHBondContact O-N 2.77Å
357	Q	98.3	Very high	97.4	Very high	110 Å²	110	48.5 Å²	48.5	51%	0.514	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	110.1	166.6	178.4	177.1	84.8	0	0	108.6	N338 P360	N338-Q357 PolarHBondContact OD1-NE2 2.97Å; Q357-P360 HydrophobicContact CG-CB 4.45Å
358	I	98.7	Very high	97.5	Very high	13 Å²	13	47 Å²	47	7%	0.067	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-43.5	174.9	-60.3	173.3	0	0	0	109.6	V55 T328 L339 L341 V356 V384 Y386 V400 I402	V55-I358 HydrophobicContact CG2-CG1 4.36Å; T328-I358 HydrophobicContact CG2-CD1 3.7Å; L339-I358 HydrophobicContact CB-CB 4.42Å; L339-I358 HydrophobicContact CD2-CB 3.99Å; L339-I358 HydrophobicContact CD2-CD1 4.04Å; L339-I358 HydrophobicContact CD2-CG2 3.91Å; L339-I358 HydrophobicContact CG-CB 4.26Å; L339-I358 HydrophobicContact CG-CD1 4.3Å; L339-I358 PolarHBondContact O-N 3.08Å; L341-I358 HydrophobicContact CB-CD1 4.22Å; V356-I358 PolarHBondContact O-N 2.77Å; I358-V384 HydrophobicContact CD1-CG1 4.41Å; I358-Y386 HydrophobicContact CG2-CD1 4.41Å; I358-Y386 HydrophobicContact CG2-CE1 3.72Å; I358-Y386 HydrophobicContact CG2-CE2 4.35Å; I358-V400 HydrophobicContact CG2-CG1 3.92Å; I358-I402 HydrophobicContact CD1-CD1 3.81Å; I358-I402 HydrophobicContact CG1-CD1 4.21Å
359	W	98.6	Very high	97.6	Very high	42 Å²	42	46.4 Å²	46.4	16%	0.159	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	120.5	178.1	-174.1	-113.7	0	0	0	112.1	N338 L339 P362 Y386 K388 G389 H390	N338-W359 CarbonylContact C-O 3.12Å; N338-W359 WeakPolarHBondContact CA-O 3.43Å; L339-W359 HydrophobicContact CB-CB 4.29Å; L339-W359 PolarHBondContact N-O 2.99Å; L339-W359 PolarHBondContact O-N 3.38Å; W359-P362 VanDerWaalsContact CD1-O 3.23Å; W359-P362 PolarHBondContact NE1-O 3.49Å; W359-P362 VanDerWaalsContact NE1-O 3.16Å; W359-Y386 HydrophobicContact CB-CE2 3.78Å; W359-Y386 HydrophobicContact CG-CE2 4.26Å; W359-K388 HydrophobicContact CD2-CD 3.84Å; W359-K388 HydrophobicContact CE3-CD 4.19Å; W359-K388 HydrophobicContact CG-CB 4.31Å; W359-K388 HydrophobicContact CG-CD 4.1Å; W359-K388 HydrophobicContact CZ2-CD 4.4Å; W359-G389 PolarHBondContact NE1-O 2.66Å; W359-H390 AromaticContact CH2-CE1 3.86Å
360	P	98.3	Very high	97.6	Very high	78 Å²	78	39.1 Å²	39.1	51%	0.506	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	-24.7	-179.9	27.2	-33.9	0	0	0	114.1	Q357	Q357-P360 HydrophobicContact CG-CB 4.45Å
361	G	98.3	Very high	97.4	Very high	18 Å²	18	35.7 Å²	35.7	19%	0.186	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-165.6	-173	0	0	0	0	0	114	V337 N338 S363	V337-G361 VanDerWaalsContact CA-O 3.27Å; V337-G361 WeakPolarHBondContact CA-O 3.32Å; N338-G361 PolarHBondContact N-O 2.54Å; G361-S363 PolarHBondContact O-N 3.4Å
362	P	98.7	Very high	96.4	Very high	24 Å²	24	38.1 Å²	38.1	16%	0.156	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-47.5	122.3	166.8	-28.6	35.9	0	0	0	112.2	W359 K388 G389 I393	W359-P362 VanDerWaalsContact CD1-O 3.23Å; W359-P362 PolarHBondContact NE1-O 3.49Å; W359-P362 VanDerWaalsContact NE1-O 3.16Å; P362-K388 WeakPolarHBondContact O-CA 3.35Å; P362-G389 WeakPolarHBondContact CD-O 3.1Å; P362-G389 PolarHBondContact O-N 2.82Å; P362-I393 HydrophobicContact CB-CG2 3.87Å
363	S	98.4	Very high	95.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	129.4	-179.5	55.7	0	0	0	0	110.9	P330 R336 L339 G361 E387	P330-S363 WeakPolarHBondContact CG-O 3.2Å; R336-S363 CarbonylContact C-O 3.59Å; R336-S363 WeakPolarHBondContact CA-O 3.3Å; R336-S363 WeakPolarHBondContact CB-O 3.37Å; R336-S363 PolarHBondContact O-N 3.03Å; R336-S363 VanDerWaalsContact O-O 3.05Å; L339-S363 PolarHBondContact N-OG 2.98Å; G361-S363 PolarHBondContact O-N 3.4Å; S363-E387 CarbonylContact C-O 3.52Å; S363-E387 VanDerWaalsContact CA-O 3.24Å; S363-E387 WeakPolarHBondContact CA-O 3.41Å
364	G	97.8	Very high	94.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-125.2	-175.1	0	0	0	0	0	113.3	P330 E387	P330-G364 VanDerWaalsContact CG-O 3.25Å; P330-G364 WeakPolarHBondContact CG-O 3.49Å; G364-E387 PolarHBondContact N-O 2.86Å
365	Y	98.6	Very high	93.9	Very high	15 Å²	15	35 Å²	35	6%	0.059	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	148.9	-176.2	-72.7	46.1	0	0	0	109.8	I75 P196 E260 R276 V314 A315 Y386 E387	I75-Y365 HydrophobicContact CD1-CD2 3.71Å; I75-Y365 HydrophobicContact CD1-CE2 3.58Å; I75-Y365 HydrophobicContact CD1-CG 4.29Å; I75-Y365 HydrophobicContact CG2-CD2 4.46Å; P196-Y365 HydrophobicContact CG-CD2 3.88Å; P196-Y365 HydrophobicContact CG-CE2 3.8Å; E260-Y365 WeakPolarHBondContact OE1-CE2 3.25Å; E260-Y365 VanDerWaalsContact OE1-CZ 3.22Å; E260-Y365 PolarHBondContact OE1-OH 2.84Å; E260-Y365 PolarHBondContact OE2-OH 2.89Å; R276-Y365 PolarHBondContact NH1-OH 3.22Å; R276-Y365 VanDerWaalsContact NH1-OH 3.11Å; V314-Y365 HydrophobicContact CG2-CD1 3.55Å; V314-Y365 HydrophobicContact CG2-CE1 3.76Å; V314-Y365 HydrophobicContact CG2-CG 4.26Å; A315-Y365 HydrophobicContact CB-CD2 3.35Å; A315-Y365 HydrophobicContact CB-CE2 3.62Å; A315-Y365 HydrophobicContact CB-CG 3.96Å; Y365-Y386 CarbonylContact O-C 3.57Å; Y365-Y386 VanDerWaalsContact O-CA 3.26Å; Y365-Y386 WeakPolarHBondContact O-CA 3.28Å; Y365-E387 WeakPolarHBondContact CD1-OE2 3.2Å; Y365-E387 PolarHBondContact N-OE2 2.75Å; Y365-E387 PolarHBondContact O-N 3.37Å
366	S	98.4	Very high	93.2	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	150.3	171.2	66.5	0	0	0	0	112.1	A316 G317 T328 I385	A316-S366 CarbonylContact C-O 3.57Å; G317-S366 PolarHBondContact N-O 3.44Å; G317-S366 VanDerWaalsContact N-O 3.14Å; G317-S366 PolarHBondContact N-OG 3.39Å; T328-S366 PolarHBondContact O-OG 2.9Å; T328-S366 PolarHBondContact OG1-OG 2.76Å; S366-I385 CarbonylContact C-O 3.59Å; S366-I385 WeakPolarHBondContact CA-O 3.29Å; S366-I385 WeakPolarHBondContact CB-O 3.31Å
367	C	98.1	Very high	92.7	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.007	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	156.4	173.3	-173.4	0	0	0	0	108.4	P76 V384 I385	P76-C367 WeakPolarHBondContact O-CB 3.45Å; C367-V384 WeakPolarHBondContact O-CA 3.35Å; C367-V384 WeakPolarHBondContact O-CG1 3.39Å; C367-I385 HydrophobicContact CB-CG2 3.91Å; C367-I385 PolarHBondContact N-O 3.16Å; C367-I385 PolarHBondContact O-N 2.91Å
368	M	97.1	Very high	92.1	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	153.5	-176.6	60.5	167.3	66.2	0	0	112.7	L319 T328 L341 F383 V384	L319-M368 HydrophobicContact CB-CG 3.83Å; L319-M368 HydrophobicContact CB-SD 3.39Å; L319-M368 WeakPolarHBondContact CB-SD 3.32Å; L319-M368 PolarHBondContact N-SD 2.95Å; L319-M368 VanDerWaalsContact N-SD 3.43Å; T328-M368 HydrophobicContact CG2-CE 3.45Å; T328-M368 VanDerWaalsContact CG2-CE 3.45Å; T328-M368 WeakPolarHBondContact OG1-CE 3.42Å; L341-M368 HydrophobicContact CD1-CE 4.18Å; M368-F383 CarbonylContact C-O 3.57Å; M368-F383 WeakPolarHBondContact CA-O 3.33Å; M368-F383 WeakPolarHBondContact CB-O 3.41Å; M368-V384 HydrophobicContact CB-CB 4.5Å; M368-V384 HydrophobicContact CB-CG2 3.98Å; M368-V384 HydrophobicContact CE-CG2 4.44Å
369	T	97	Very high	91.6	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	172.9	179.5	-157.1	0	0	0	0	111.3	I78 L86 F383	I78-T369 HydrophobicContact CB-CG2 4.43Å; I78-T369 HydrophobicContact CD1-CG2 4.43Å; I78-T369 HydrophobicContact CG1-CG2 3.92Å; I78-T369 HydrophobicContact CG2-CG2 3.96Å; L86-T369 HydrophobicContact CD2-CG2 4.12Å; T369-F383 HydrophobicContact CG2-CB 4.07Å; T369-F383 HydrophobicContact CG2-CD2 4.43Å; T369-F383 PolarHBondContact N-O 3.25Å; T369-F383 PolarHBondContact O-N 2.83Å
370	S	95.5	Very high	91.3	Very high	11 Å²	11	36 Å²	36	8%	0.077	20%	0.202	C	C	.	.			trans	-141	154.8	169.6	54.9	0	0	0	0	109.2	F80	F80-S370 WeakPolarHBondContact CD1-O 3.16Å
371	L	92.1	Very high	91.2	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.021	18%	0.182	C	C	.	.			trans	-68.3	149.2	164.3	-65.6	177.1	0	0	0	109.4	F80 L86 K113 D378 F383	F80-L371 HydrophobicContact CB-CD2 3.71Å; L86-L371 HydrophobicContact CD2-CD2 3.83Å; L86-L371 HydrophobicContact CD2-CG 4.33Å; K113-L371 HydrophobicContact CB-CD1 4.43Å; K113-L371 HydrophobicContact CD-CD1 4.13Å; K113-L371 HydrophobicContact CG-CD1 3.86Å; L371-D378 HydrophobicContact CB-CB 4.31Å; L371-D378 VanDerWaalsContact CD1-OD1 3.3Å; L371-D378 WeakPolarHBondContact CD1-OD1 3.13Å; L371-F383 HydrophobicContact CD1-CE2 4.37Å; L371-F383 HydrophobicContact CG-CE2 3.95Å
372	N	76.7	Confident	91.2	Very high	77 Å²	77	32.4 Å²	32.4	41%	0.412	17%	0.173	S	C	.	.			trans	-120.9	54.2	-174.2	-167	60.4	0	0	0	111.3	F80 E142 R203	F80-N372 HydrophobicContact CE2-CB 4.03Å; F80-N372 HydrophobicContact CZ-CB 4.21Å; E142-N372 PolarHBondContact OE2-ND2 2.87Å; R203-N372 VanDerWaalsContact CZ-ND2 3.32Å; R203-N372 PolarHBondContact NH1-ND2 3.33Å; R203-N372 PolarHBondContact NH1-OD1 2.88Å; R203-N372 PolarHBondContact NH2-ND2 3.46Å; R203-N372 PolarHBondContact NH2-OD1 3.02Å
373	D	75.9	Confident	91.2	Very high	70 Å²	70	31.3 Å²	31.3	37%	0.374	17%	0.166	S	C	.	.	S	Bend	trans	-116.7	159.2	174.4	60.5	-23.1	0	0	0	111.6	S375 D378	D373-S375 PolarHBondContact O-N 3.45Å; D373-S375 VanDerWaalsContact OD2-CB 3.25Å; D373-S375 WeakPolarHBondContact OD2-CB 3.48Å; D373-D378 VanDerWaalsContact OD1-CB 3.26Å; D373-D378 WeakPolarHBondContact OD1-CB 3.45Å
374	D	74.7	Confident	91.2	Very high	160 Å²	160	31.3 Å²	31.3	86%	0.856	17%	0.166	S	C	*	.	S	Bend	trans	-70.5	17.3	177.2	-65.8	-51.1	0	0	0	113.3	V376	D374-V376 PolarHBondContact O-N 2.71Å
375	S	84.1	Confident	91.2	Very high	35 Å²	35	31.3 Å²	31.3	25%	0.245	17%	0.166	C	C	.	.			trans	-79.9	118.6	-176.1	174.6	0	0	0	0	111.4	D373 E377 D378 Q379	D373-S375 PolarHBondContact O-N 3.45Å; D373-S375 VanDerWaalsContact OD2-CB 3.25Å; D373-S375 WeakPolarHBondContact OD2-CB 3.48Å; S375-E377 PolarHBondContact O-N 3.21Å; S375-E377 VanDerWaalsContact O-N 3.11Å; S375-D378 WeakPolarHBondContact CB-OD2 3.42Å; S375-D378 PolarHBondContact O-N 3.06Å; S375-D378 PolarHBondContact OG-OD2 2.73Å; S375-Q379 WeakPolarHBondContact O-CG 3.43Å; S375-Q379 PolarHBondContact O-N 2.71Å
376	V	84.1	Confident	91.2	Very high	82 Å²	82	30.7 Å²	30.7	50%	0.497	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.3	178.5	-179	0	0	0	0	112.9	D374 K380	D374-V376 PolarHBondContact O-N 2.71Å; V376-K380 WeakPolarHBondContact O-CG 3.33Å
377	E	86.6	Confident	91.2	Very high	82 Å²	82	30.5 Å²	30.5	38%	0.383	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-40.1	174.4	-172.6	60.7	-162.1	0	0	111.3	S375 K380 Y381	S375-E377 PolarHBondContact O-N 3.21Å; S375-E377 VanDerWaalsContact O-N 3.11Å; E377-K380 VanDerWaalsContact O-CB 3.23Å; E377-K380 WeakPolarHBondContact O-CB 3.26Å; E377-K380 WeakPolarHBondContact O-CG 3.26Å; E377-K380 PolarHBondContact O-N 2.7Å; E377-K380 VanDerWaalsContact OE2-CE 3.26Å; E377-K380 WeakPolarHBondContact OE2-CE 3.45Å; E377-K380 IonicContact OE2-NZ 3.17Å; E377-K380 PolarHBondContact OE2-NZ 3.04Å; E377-Y381 HydrophobicContact CG-CE2 4.1Å; E377-Y381 WeakPolarHBondContact O-CD2 3.28Å; E377-Y381 WeakPolarHBondContact O-CE2 3.2Å; E377-Y381 VanDerWaalsContact OE1-CE2 3.29Å; E377-Y381 WeakPolarHBondContact OE1-CE2 3.26Å; E377-Y381 PolarHBondContact OE1-OH 2.7Å
378	D	85.9	Confident	91.2	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.011	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-75.6	-28.1	-178	-61.3	-85.5	0	0	0	112.4	K113 L371 D373 S375 K380 Y381	K113-D378 WeakPolarHBondContact CD-OD1 3.35Å; K113-D378 WeakPolarHBondContact CE-OD1 3.23Å; K113-D378 IonicContact NZ-OD1 3.71Å; K113-D378 PolarHBondContact NZ-OD1 2.76Å; K113-D378 IonicContact NZ-OD2 3.51Å; K113-D378 PolarHBondContact NZ-OD2 3.49Å; L371-D378 HydrophobicContact CB-CB 4.31Å; L371-D378 VanDerWaalsContact CD1-OD1 3.3Å; L371-D378 WeakPolarHBondContact CD1-OD1 3.13Å; D373-D378 VanDerWaalsContact OD1-CB 3.26Å; D373-D378 WeakPolarHBondContact OD1-CB 3.45Å; S375-D378 WeakPolarHBondContact CB-OD2 3.42Å; S375-D378 PolarHBondContact O-N 3.06Å; S375-D378 PolarHBondContact OG-OD2 2.73Å; D378-K380 PolarHBondContact O-N 3.32Å; D378-K380 VanDerWaalsContact O-N 3.12Å; D378-Y381 PolarHBondContact O-N 2.86Å; D378-Y381 VanDerWaalsContact O-N 3.08Å
379	Q	89	Confident	91.3	Very high	59 Å²	59	31.2 Å²	31.2	28%	0.276	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-54.1	-23.8	163.9	-73	170.5	3.5	0	0	113.3	S375	S375-Q379 WeakPolarHBondContact O-CG 3.43Å; S375-Q379 PolarHBondContact O-N 2.71Å
380	K	92.8	Very high	91.2	Very high	30 Å²	30	38.1 Å²	38.1	13%	0.13	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-81.7	-11.8	177.8	-52.3	178.2	-176.6	172.1	0	114.4	V376 E377 D378 H403 L404 Y405	V376-K380 WeakPolarHBondContact O-CG 3.33Å; E377-K380 VanDerWaalsContact O-CB 3.23Å; E377-K380 WeakPolarHBondContact O-CB 3.26Å; E377-K380 WeakPolarHBondContact O-CG 3.26Å; E377-K380 PolarHBondContact O-N 2.7Å; E377-K380 VanDerWaalsContact OE2-CE 3.26Å; E377-K380 WeakPolarHBondContact OE2-CE 3.45Å; E377-K380 IonicContact OE2-NZ 3.17Å; E377-K380 PolarHBondContact OE2-NZ 3.04Å; D378-K380 PolarHBondContact O-N 3.32Å; D378-K380 VanDerWaalsContact O-N 3.12Å; K380-H403 CarbonylContact O-C 3.55Å; K380-H403 WeakPolarHBondContact O-CA 3.23Å; K380-L404 WeakPolarHBondContact O-CB 3.47Å; K380-L404 WeakPolarHBondContact O-CG 3.31Å; K380-L404 PolarHBondContact O-N 2.71Å; K380-Y405 HydrophobicContact CB-CD2 4.24Å; K380-Y405 HydrophobicContact CG-CD2 4.15Å; K380-Y405 HydrophobicContact CG-CE2 4.48Å
381	Y	95.8	Very high	91.3	Very high	22 Å²	22	46.8 Å²	46.8	9%	0.086	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144.3	-171.4	-59	-85.4	0	0	0	114	F56 E377 D378 I402 H403	F56-Y381 HydrophobicContact CD1-CE1 4.27Å; F56-Y381 HydrophobicContact CG-CE1 4.26Å; E377-Y381 HydrophobicContact CG-CE2 4.1Å; E377-Y381 WeakPolarHBondContact O-CD2 3.28Å; E377-Y381 WeakPolarHBondContact O-CE2 3.2Å; E377-Y381 VanDerWaalsContact OE1-CE2 3.29Å; E377-Y381 WeakPolarHBondContact OE1-CE2 3.26Å; E377-Y381 PolarHBondContact OE1-OH 2.7Å; D378-Y381 PolarHBondContact O-N 2.86Å; D378-Y381 VanDerWaalsContact O-N 3.08Å; Y381-I402 WeakPolarHBondContact CA-O 3.39Å; Y381-H403 HydrophobicContact CD1-CB 4.21Å; Y381-H403 HydrophobicContact CE1-CB 3.96Å; Y381-H403 AromaticContact CE1-CD2 3.68Å; Y381-H403 AromaticContact CZ-CD2 3.7Å
382	I	97.8	Very high	91.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	153.2	154.8	64.9	177.3	0	0	0	109.5	L319 K321 Y326 L341 I402 L404	L319-I382 HydrophobicContact CD2-CB 4.28Å; L319-I382 HydrophobicContact CD2-CG2 3.85Å; K321-I382 HydrophobicContact CD-CG2 4.21Å; Y326-I382 HydrophobicContact CD1-CD1 3.77Å; Y326-I382 HydrophobicContact CD2-CD1 4.47Å; Y326-I382 HydrophobicContact CD2-CG2 4.48Å; Y326-I382 HydrophobicContact CE1-CD1 4.33Å; Y326-I382 HydrophobicContact CE2-CG2 4.49Å; Y326-I382 HydrophobicContact CG-CD1 3.86Å; L341-I382 HydrophobicContact CD1-CD1 3.99Å; L341-I382 HydrophobicContact CD2-CD1 4.07Å; I382-I402 HydrophobicContact CG1-CB 3.86Å; I382-I402 HydrophobicContact CG1-CG2 4.26Å; I382-I402 PolarHBondContact N-O 2.75Å; I382-I402 PolarHBondContact O-N 3.39Å; I382-L404 HydrophobicContact CD1-CD2 4.15Å; I382-L404 HydrophobicContact CG1-CD2 4.09Å; I382-L404 HydrophobicContact CG2-CD1 4.26Å; I382-L404 HydrophobicContact CG2-CD2 4.19Å
383	F	98.2	Very high	92.4	Very high	1 Å²	1	48 Å²	48	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.5	-175.3	-59	-70.5	0	0	0	109.1	I78 L86 K113 M368 T369 L371 F399 K401	I78-F383 HydrophobicContact CD1-CB 4.12Å; L86-F383 HydrophobicContact CD1-CB 4.47Å; L86-F383 HydrophobicContact CD1-CD1 3.72Å; L86-F383 HydrophobicContact CD1-CD2 4.03Å; L86-F383 HydrophobicContact CD1-CE1 3.88Å; L86-F383 HydrophobicContact CD1-CE2 4.21Å; L86-F383 HydrophobicContact CD1-CG 3.79Å; L86-F383 HydrophobicContact CD1-CZ 4.13Å; L86-F383 HydrophobicContact CD2-CD2 3.97Å; L86-F383 HydrophobicContact CD2-CE2 4.28Å; L86-F383 HydrophobicContact CD2-CG 4.4Å; K113-F383 HydrophobicContact CB-CZ 4.5Å; K113-F383 WeakPolarHBondContact O-CE1 3.1Å; M368-F383 CarbonylContact C-O 3.57Å; M368-F383 WeakPolarHBondContact CA-O 3.33Å; M368-F383 WeakPolarHBondContact CB-O 3.41Å; T369-F383 HydrophobicContact CG2-CB 4.07Å; T369-F383 HydrophobicContact CG2-CD2 4.43Å; T369-F383 PolarHBondContact N-O 3.25Å; T369-F383 PolarHBondContact O-N 2.83Å; L371-F383 HydrophobicContact CD1-CE2 4.37Å; L371-F383 HydrophobicContact CG-CE2 3.95Å; F383-F399 HydrophobicContact CB-CE2 3.95Å; F383-F399 AromaticContact CD1-CE2 3.73Å; F383-F399 HydrophobicContact CD1-CE2 3.73Å; F383-F399 AromaticContact CD1-CZ 3.64Å; F383-F399 HydrophobicContact CD1-CZ 3.64Å; F383-F399 HydrophobicContact CE1-CZ 4.27Å; F383-F399 HydrophobicContact CG-CE2 4.21Å; F383-K401 HydrophobicContact CD1-CG 4.03Å; F383-K401 HydrophobicContact CE1-CD 4.4Å; F383-K401 HydrophobicContact CE1-CG 4Å
384	V	98.6	Very high	93.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	138.8	178.3	-173.8	0	0	0	0	109	T328 I358 C367 M368 F399 V400 I402	T328-V384 HydrophobicContact CG2-CG1 4.19Å; T328-V384 HydrophobicContact CG2-CG2 4.31Å; I358-V384 HydrophobicContact CD1-CG1 4.41Å; C367-V384 WeakPolarHBondContact O-CA 3.35Å; C367-V384 WeakPolarHBondContact O-CG1 3.39Å; M368-V384 HydrophobicContact CB-CB 4.5Å; M368-V384 HydrophobicContact CB-CG2 3.98Å; M368-V384 HydrophobicContact CE-CG2 4.44Å; V384-F399 CarbonylContact O-C 3.28Å; V384-F399 WeakPolarHBondContact O-CA 3.5Å; V384-V400 HydrophobicContact CB-CG1 3.69Å; V384-V400 HydrophobicContact CG1-CG1 4.47Å; V384-V400 HydrophobicContact CG2-CG1 4.48Å; V384-V400 PolarHBondContact N-O 3.32Å; V384-V400 PolarHBondContact O-N 3.34Å; V384-I402 HydrophobicContact CG2-CD1 3.73Å
385	I	98.8	Very high	94.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	142.1	170.8	-162.8	179.6	0	0	0	109	L61 W62 P76 I78 A88 S366 C367 I397 S398	L61-I385 HydrophobicContact CD1-CD1 3.95Å; L61-I385 HydrophobicContact CD1-CG1 4.45Å; W62-I385 HydrophobicContact CZ3-CD1 4.14Å; P76-I385 HydrophobicContact CB-CB 4.35Å; P76-I385 HydrophobicContact CB-CD1 3.85Å; P76-I385 HydrophobicContact CB-CG1 3.8Å; P76-I385 HydrophobicContact CB-CG2 3.86Å; I78-I385 HydrophobicContact CB-CB 4.02Å; I78-I385 HydrophobicContact CB-CG2 3.59Å; I78-I385 HydrophobicContact CG2-CB 4.16Å; I78-I385 HydrophobicContact CG2-CG2 3.62Å; A88-I385 HydrophobicContact CB-CD1 3.72Å; S366-I385 CarbonylContact C-O 3.59Å; S366-I385 WeakPolarHBondContact CA-O 3.29Å; S366-I385 WeakPolarHBondContact CB-O 3.31Å; C367-I385 HydrophobicContact CB-CG2 3.91Å; C367-I385 PolarHBondContact N-O 3.16Å; C367-I385 PolarHBondContact O-N 2.91Å; I385-I397 HydrophobicContact CD1-CG2 3.87Å; I385-I397 HydrophobicContact CG1-CG2 3.72Å; I385-S398 CarbonylContact C-O 3.58Å; I385-S398 WeakPolarHBondContact CA-O 3.41Å; I385-S398 WeakPolarHBondContact CG1-O 3.31Å
386	Y	98.8	Very high	95.2	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	153.6	-172.9	67.9	-78.1	0	0	0	114.5	E58 L339 I358 W359 Y365 K388 I397 S398 V400	E58-Y386 PolarHBondContact OE1-OH 2.8Å; E58-Y386 PolarHBondContact OE2-OH 2.89Å; L339-Y386 HydrophobicContact CD2-CD1 3.85Å; L339-Y386 HydrophobicContact CD2-CD2 3.33Å; L339-Y386 HydrophobicContact CD2-CE1 4.33Å; L339-Y386 HydrophobicContact CD2-CE2 3.82Å; L339-Y386 HydrophobicContact CD2-CG 3.31Å; I358-Y386 HydrophobicContact CG2-CD1 4.41Å; I358-Y386 HydrophobicContact CG2-CE1 3.72Å; I358-Y386 HydrophobicContact CG2-CE2 4.35Å; W359-Y386 HydrophobicContact CB-CE2 3.78Å; W359-Y386 HydrophobicContact CG-CE2 4.26Å; Y365-Y386 CarbonylContact O-C 3.57Å; Y365-Y386 VanDerWaalsContact O-CA 3.26Å; Y365-Y386 WeakPolarHBondContact O-CA 3.28Å; Y386-K388 HydrophobicContact CD2-CB 3.87Å; Y386-K388 HydrophobicContact CD2-CD 4.3Å; Y386-K388 HydrophobicContact CD2-CG 4.42Å; Y386-K388 HydrophobicContact CE2-CB 3.63Å; Y386-K388 HydrophobicContact CE2-CD 3.36Å; Y386-K388 HydrophobicContact CE2-CG 3.91Å; Y386-K388 WeakPolarHBondContact OH-CD 3.32Å; Y386-I397 WeakPolarHBondContact O-CA 3.4Å; Y386-S398 WeakPolarHBondContact CD1-O 3.42Å; Y386-S398 PolarHBondContact N-O 3.37Å; Y386-S398 PolarHBondContact O-N 3.49Å; Y386-V400 HydrophobicContact CD1-CG1 4.34Å; Y386-V400 HydrophobicContact CE1-CB 4.24Å; Y386-V400 HydrophobicContact CE1-CG1 3.98Å
387	E	98.8	Very high	95.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	133.9	169.9	-54.3	-179.1	137	0	0	110	R74 I75 P76 S363 G364 Y365 I393 T396 I397	R74-E387 VanDerWaalsContact CA-OE1 3.26Å; R74-E387 WeakPolarHBondContact CA-OE1 3.26Å; R74-E387 WeakPolarHBondContact CB-OE1 3.29Å; R74-E387 IonicContact CZ-OE1 3.56Å; R74-E387 VanDerWaalsContact CZ-OE1 3.23Å; R74-E387 IonicContact CZ-OE2 3.37Å; R74-E387 IonicContact NE-OE1 3.05Å; R74-E387 PolarHBondContact NE-OE1 2.89Å; R74-E387 IonicContact NE-OE2 3.09Å; R74-E387 VanDerWaalsContact NH2-CD 3.28Å; R74-E387 IonicContact NH2-OE1 3.83Å; R74-E387 PolarHBondContact NH2-OE1 2.79Å; R74-E387 IonicContact NH2-OE2 2.64Å; R74-E387 PolarHBondContact NH2-OE2 3.31Å; I75-E387 PolarHBondContact N-OE1 3.45Å; P76-E387 VanDerWaalsContact CD-CG 3.47Å; P76-E387 HydrophobicContact CG-CG 3.84Å; S363-E387 CarbonylContact C-O 3.52Å; S363-E387 VanDerWaalsContact CA-O 3.24Å; S363-E387 WeakPolarHBondContact CA-O 3.41Å; G364-E387 PolarHBondContact N-O 2.86Å; Y365-E387 WeakPolarHBondContact CD1-OE2 3.2Å; Y365-E387 PolarHBondContact N-OE2 2.75Å; Y365-E387 PolarHBondContact O-N 3.37Å; E387-I393 CarbonylContact C-O 3.47Å; E387-T396 WeakPolarHBondContact CA-O 2.99Å; E387-I397 HydrophobicContact CG-CG1 4.46Å
388	K	98	Very high	96.5	Very high	16 Å²	16	32.6 Å²	32.6	7%	0.07	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	166.3	173.6	78.4	178.4	-139.4	177.4	0	114.4	E58 W359 P362 Y386 I393 T396	E58-K388 VanDerWaalsContact OE1-CE 3.29Å; E58-K388 WeakPolarHBondContact OE1-CE 3.47Å; E58-K388 IonicContact OE1-NZ 2.66Å; E58-K388 PolarHBondContact OE1-NZ 2.82Å; E58-K388 IonicContact OE2-NZ 2.64Å; E58-K388 PolarHBondContact OE2-NZ 2.93Å; W359-K388 HydrophobicContact CD2-CD 3.84Å; W359-K388 HydrophobicContact CE3-CD 4.19Å; W359-K388 HydrophobicContact CG-CB 4.31Å; W359-K388 HydrophobicContact CG-CD 4.1Å; W359-K388 HydrophobicContact CZ2-CD 4.4Å; P362-K388 WeakPolarHBondContact O-CA 3.35Å; Y386-K388 HydrophobicContact CD2-CB 3.87Å; Y386-K388 HydrophobicContact CD2-CD 4.3Å; Y386-K388 HydrophobicContact CD2-CG 4.42Å; Y386-K388 HydrophobicContact CE2-CB 3.63Å; Y386-K388 HydrophobicContact CE2-CD 3.36Å; Y386-K388 HydrophobicContact CE2-CG 3.91Å; Y386-K388 WeakPolarHBondContact OH-CD 3.32Å; K388-I393 CarbonylContact C-O 3.57Å; K388-I393 WeakPolarHBondContact CA-O 3.29Å; K388-I393 PolarHBondContact N-O 3.14Å; K388-I393 VanDerWaalsContact N-O 3.16Å; K388-T396 WeakPolarHBondContact CG-OG1 3.09Å; K388-T396 PolarHBondContact N-O 3.08Å; K388-T396 PolarHBondContact O-N 3.49Å; K388-T396 PolarHBondContact O-OG1 2.84Å
389	G	97.5	Very high	97.1	Very high	2 Å²	2	32.5 Å²	32.5	2%	0.021	15%	0.153	C	C	.	.			trans	-167.4	-168.4	165.7	0	0	0	0	0	113.3	W359 P362 D392 E395	W359-G389 PolarHBondContact NE1-O 2.66Å; P362-G389 WeakPolarHBondContact CD-O 3.1Å; P362-G389 PolarHBondContact O-N 2.82Å; G389-D392 WeakPolarHBondContact CA-O 3.38Å; G389-D392 PolarHBondContact N-O 3.36Å; G389-E395 VanDerWaalsContact CA-OE2 3.32Å; G389-E395 WeakPolarHBondContact CA-OE2 3.43Å
390	H	96.3	Very high	97.5	Very high	146 Å²	146	29.7 Å²	29.7	68%	0.676	14%	0.14	S	C	*	.	S	Bend	trans	-100.3	-28.2	178	-66.6	-76.6	0	0	0	113.4	W359 E395	W359-H390 AromaticContact CH2-CE1 3.86Å; H390-E395 PolarHBondContact N-OE2 2.87Å
391	K	96.1	Very high	97.7	Very high	194 Å²	194	28.8 Å²	28.8	84%	0.843	14%	0.136	S	C	*	.	S	Bend	trans	-121.8	-43.8	178.1	-56.1	171.4	-178	170.4	0	111.6	E395	K391-E395 WeakPolarHBondContact CA-OE1 3.48Å; K391-E395 VanDerWaalsContact CB-OE1 3.29Å; K391-E395 WeakPolarHBondContact CB-OE1 3.44Å; K391-E395 PolarHBondContact N-OE1 3.46Å
392	D	96.6	Very high	97.9	Very high	81 Å²	81	27.8 Å²	27.8	43%	0.433	13%	0.132	S	C	.	.	S	Bend	trans	-117	157.5	176.8	-156.1	-54.8	0	0	0	110.6	G389 I394 E395	G389-D392 WeakPolarHBondContact CA-O 3.38Å; G389-D392 PolarHBondContact N-O 3.36Å; D392-I394 VanDerWaalsContact C-N 3.31Å; D392-I394 HydrophobicContact CB-CG1 4.46Å; D392-I394 PolarHBondContact OD1-N 3.24Å; D392-E395 HydrophobicContact CB-CG 4.21Å; D392-E395 PolarHBondContact N-OE1 2.85Å
393	I	97	Very high	97.8	Very high	25 Å²	25	28 Å²	28	13%	0.128	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-23.8	177.7	70.4	-177.5	0	0	0	112.3	R336 P362 E387 K388	R336-I393 HydrophobicContact CB-CD1 4.25Å; R336-I393 HydrophobicContact CB-CG2 3.93Å; R336-I393 VanDerWaalsContact O-CG2 3.29Å; R336-I393 WeakPolarHBondContact O-CG2 3.01Å; P362-I393 HydrophobicContact CB-CG2 3.87Å; E387-I393 CarbonylContact C-O 3.47Å; K388-I393 CarbonylContact C-O 3.57Å; K388-I393 WeakPolarHBondContact CA-O 3.29Å; K388-I393 PolarHBondContact N-O 3.14Å; K388-I393 VanDerWaalsContact N-O 3.16Å
394	I	96.9	Very high	97.7	Very high	31 Å²	31	28 Å²	28	16%	0.159	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	5.6	-170.9	71.9	-179.3	0	0	0	114.6	S64 T72 R74 D392 T396	S64-I394 VanDerWaalsContact CB-O 3.29Å; S64-I394 WeakPolarHBondContact CB-O 3.39Å; S64-I394 PolarHBondContact OG-O 3.3Å; T72-I394 HydrophobicContact CG2-CB 4.06Å; T72-I394 HydrophobicContact CG2-CD1 4.13Å; T72-I394 HydrophobicContact CG2-CG1 4.29Å; R74-I394 HydrophobicContact CG-CG2 4.35Å; D392-I394 VanDerWaalsContact C-N 3.31Å; D392-I394 HydrophobicContact CB-CG1 4.46Å; D392-I394 PolarHBondContact OD1-N 3.24Å; I394-T396 VanDerWaalsContact C-N 3.29Å; I394-T396 PolarHBondContact O-N 3.34Å
395	E	97.8	Very high	97.5	Very high	54 Å²	54	30 Å²	30	25%	0.252	14%	0.141	S	C	.	.	S	Bend	trans	-61.8	-38.4	-176.4	-66.3	175.4	-168.3	0	0	111.8	S64 G389 H390 K391 D392	S64-E395 WeakPolarHBondContact CB-O 3.44Å; S64-E395 PolarHBondContact N-O 2.72Å; G389-E395 VanDerWaalsContact CA-OE2 3.32Å; G389-E395 WeakPolarHBondContact CA-OE2 3.43Å; H390-E395 PolarHBondContact N-OE2 2.87Å; K391-E395 WeakPolarHBondContact CA-OE1 3.48Å; K391-E395 VanDerWaalsContact CB-OE1 3.29Å; K391-E395 WeakPolarHBondContact CB-OE1 3.44Å; K391-E395 PolarHBondContact N-OE1 3.46Å; D392-E395 HydrophobicContact CB-CG 4.21Å; D392-E395 PolarHBondContact N-OE1 2.85Å
396	T	98	Very high	96.8	Very high	20 Å²	20	31 Å²	31	12%	0.123	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	161.6	-173.4	64.3	0	0	0	0	112.6	L60 W62 V63 E387 K388 I394	L60-T396 HydrophobicContact CD1-CG2 3.88Å; W62-T396 CarbonylContact O-C 3.55Å; W62-T396 VanDerWaalsContact O-CA 3.25Å; W62-T396 WeakPolarHBondContact O-CA 3.05Å; W62-T396 WeakPolarHBondContact O-CB 3.26Å; V63-T396 HydrophobicContact CG1-CG2 4.4Å; V63-T396 HydrophobicContact CG2-CG2 4.25Å; E387-T396 WeakPolarHBondContact CA-O 2.99Å; K388-T396 WeakPolarHBondContact CG-OG1 3.09Å; K388-T396 PolarHBondContact N-O 3.08Å; K388-T396 PolarHBondContact O-N 3.49Å; K388-T396 PolarHBondContact O-OG1 2.84Å; I394-T396 VanDerWaalsContact C-N 3.29Å; I394-T396 PolarHBondContact O-N 3.34Å
397	I	98.6	Very high	95.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.6	162.2	-65.9	172.8	0	0	0	108.2	L61 W62 P76 A90 I385 Y386 E387	L61-I397 PolarHBondContact N-O 3.22Å; W62-I397 HydrophobicContact CB-CB 4.34Å; W62-I397 HydrophobicContact CE3-CB 3.99Å; W62-I397 HydrophobicContact CE3-CD1 4.06Å; W62-I397 HydrophobicContact CE3-CG2 3.82Å; W62-I397 HydrophobicContact CZ3-CG2 4.25Å; W62-I397 PolarHBondContact N-O 3.39Å; W62-I397 VanDerWaalsContact N-O 3.1Å; W62-I397 PolarHBondContact O-N 2.83Å; P76-I397 HydrophobicContact CB-CD1 4.13Å; P76-I397 HydrophobicContact CB-CG1 4.45Å; P76-I397 HydrophobicContact CB-CG2 3.75Å; P76-I397 HydrophobicContact CG-CG2 4.46Å; A90-I397 HydrophobicContact CB-CD1 3.6Å; I385-I397 HydrophobicContact CD1-CG2 3.87Å; I385-I397 HydrophobicContact CG1-CG2 3.72Å; Y386-I397 WeakPolarHBondContact O-CA 3.4Å; E387-I397 HydrophobicContact CG-CG1 4.46Å
398	S	98.6	Very high	94.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	152.1	176.4	-76.3	0	0	0	0	111.6	E58 Q59 I385 Y386	E58-S398 WeakPolarHBondContact OE1-CB 3.27Å; E58-S398 PolarHBondContact OE1-OG 2.02Å; Q59-S398 WeakPolarHBondContact O-CA 3.27Å; I385-S398 CarbonylContact C-O 3.58Å; I385-S398 WeakPolarHBondContact CA-O 3.41Å; I385-S398 WeakPolarHBondContact CG1-O 3.31Å; Y386-S398 WeakPolarHBondContact CD1-O 3.42Å; Y386-S398 PolarHBondContact N-O 3.37Å; Y386-S398 PolarHBondContact O-N 3.49Å
399	F	98.7	Very high	94	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	144.8	167.8	159.1	-98.2	0	0	0	109	E58 Q59 L61 I78 L86 G114 W117 F383 V384 K401	E58-F399 CarbonylContact C-O 3.57Å; E58-F399 WeakPolarHBondContact CA-O 3.31Å; E58-F399 WeakPolarHBondContact CG-O 2.99Å; Q59-F399 HydrophobicContact CB-CD1 4.24Å; Q59-F399 HydrophobicContact CG-CD1 4.46Å; Q59-F399 PolarHBondContact N-O 3.49Å; Q59-F399 PolarHBondContact O-N 3.47Å; L61-F399 HydrophobicContact CD1-CB 3.65Å; L61-F399 HydrophobicContact CD2-CB 4.2Å; L61-F399 HydrophobicContact CG-CB 3.76Å; I78-F399 HydrophobicContact CD1-CD2 3.59Å; I78-F399 HydrophobicContact CD1-CE2 3.66Å; L86-F399 HydrophobicContact CD1-CE2 4.07Å; L86-F399 HydrophobicContact CD1-CZ 4.15Å; G114-F399 WeakPolarHBondContact O-CE1 3.44Å; W117-F399 HydrophobicContact CH2-CD2 4.32Å; W117-F399 HydrophobicContact CH2-CE2 4.34Å; W117-F399 AromaticContact CZ2-CD1 3.91Å; W117-F399 HydrophobicContact CZ2-CD1 3.91Å; W117-F399 AromaticContact CZ2-CD2 3.72Å; W117-F399 HydrophobicContact CZ2-CD2 3.72Å; W117-F399 AromaticContact CZ2-CE1 3.94Å; W117-F399 HydrophobicContact CZ2-CE1 3.94Å; W117-F399 AromaticContact CZ2-CE2 3.72Å; W117-F399 HydrophobicContact CZ2-CE2 3.72Å; W117-F399 AromaticContact CZ2-CG 3.79Å; W117-F399 HydrophobicContact CZ2-CG 3.79Å; W117-F399 AromaticContact CZ2-CZ 3.84Å; W117-F399 HydrophobicContact CZ2-CZ 3.84Å; W117-F399 AromaticContact NE1-CD1 3.91Å; F383-F399 HydrophobicContact CB-CE2 3.95Å; F383-F399 AromaticContact CD1-CE2 3.73Å; F383-F399 HydrophobicContact CD1-CE2 3.73Å; F383-F399 AromaticContact CD1-CZ 3.64Å; F383-F399 HydrophobicContact CD1-CZ 3.64Å; F383-F399 HydrophobicContact CE1-CZ 4.27Å; F383-F399 HydrophobicContact CG-CE2 4.21Å; V384-F399 CarbonylContact O-C 3.28Å; V384-F399 WeakPolarHBondContact O-CA 3.5Å; F399-K401 HydrophobicContact CE1-CD 3.97Å; F399-K401 HydrophobicContact CE1-CG 3.51Å; F399-K401 HydrophobicContact CZ-CD 4.12Å; F399-K401 HydrophobicContact CZ-CG 3.48Å; F399-K401 VanDerWaalsContact CZ-CG 3.48Å
400	V	98.4	Very high	93.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	133.6	177.8	65.5	0	0	0	0	111.2	V55 E57 E58 I358 V384 Y386 I402	V55-V400 HydrophobicContact CB-CG2 4.25Å; V55-V400 HydrophobicContact CG1-CG2 3.58Å; V55-V400 HydrophobicContact CG2-CG2 3.98Å; E57-V400 CarbonylContact O-C 3.49Å; E57-V400 VanDerWaalsContact O-CA 3.31Å; E57-V400 WeakPolarHBondContact O-CA 3.39Å; E57-V400 VanDerWaalsContact O-CG2 3.3Å; E57-V400 WeakPolarHBondContact O-CG2 3.48Å; E58-V400 HydrophobicContact CB-CG2 4.4Å; E58-V400 HydrophobicContact CG-CB 4.29Å; I358-V400 HydrophobicContact CG2-CG1 3.92Å; V384-V400 HydrophobicContact CB-CG1 3.69Å; V384-V400 HydrophobicContact CG1-CG1 4.47Å; V384-V400 HydrophobicContact CG2-CG1 4.48Å; V384-V400 PolarHBondContact N-O 3.32Å; V384-V400 PolarHBondContact O-N 3.34Å; Y386-V400 HydrophobicContact CD1-CG1 4.34Å; Y386-V400 HydrophobicContact CE1-CB 4.24Å; Y386-V400 HydrophobicContact CE1-CG1 3.98Å; V400-I402 HydrophobicContact CG1-CD1 4.36Å; V400-I402 HydrophobicContact CG1-CG1 4.29Å; V400-I402 HydrophobicContact CG2-CG1 4.31Å
401	K	97.6	Very high	93.6	Very high	12 Å²	12	41.7 Å²	41.7	5%	0.052	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	124.9	170.4	-61.5	178.9	57.6	153.2	0	107.9	F56 E57 K113 N115 F383 F399	F56-K401 WeakPolarHBondContact CB-O 3.48Å; F56-K401 PolarHBondContact N-O 3.11Å; E57-K401 HydrophobicContact CB-CB 4.31Å; E57-K401 HydrophobicContact CB-CD 4.39Å; E57-K401 PolarHBondContact N-O 2.88Å; E57-K401 PolarHBondContact O-N 2.85Å; K113-K401 WeakPolarHBondContact O-CE 3.45Å; K113-K401 PolarHBondContact O-NZ 2.73Å; N115-K401 PolarHBondContact OD1-NZ 3.49Å; F383-K401 HydrophobicContact CD1-CG 4.03Å; F383-K401 HydrophobicContact CE1-CD 4.4Å; F383-K401 HydrophobicContact CE1-CG 4Å; F399-K401 HydrophobicContact CE1-CD 3.97Å; F399-K401 HydrophobicContact CE1-CG 3.51Å; F399-K401 HydrophobicContact CZ-CD 4.12Å; F399-K401 HydrophobicContact CZ-CG 3.48Å; F399-K401 VanDerWaalsContact CZ-CG 3.48Å
402	I	98.2	Very high	93.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	118.6	179.3	-58.2	-177.5	0	0	0	108.3	P53 L54 L341 I358 Y381 I382 V384 V400	P53-I402 HydrophobicContact CB-CG2 4.01Å; L54-I402 CarbonylContact O-C 3.43Å; L54-I402 VanDerWaalsContact O-CA 3.25Å; L54-I402 WeakPolarHBondContact O-CA 3.44Å; L54-I402 WeakPolarHBondContact O-CG2 3.32Å; L341-I402 HydrophobicContact CD2-CD1 3.92Å; L341-I402 HydrophobicContact CD2-CG2 3.87Å; I358-I402 HydrophobicContact CD1-CD1 3.81Å; I358-I402 HydrophobicContact CG1-CD1 4.21Å; Y381-I402 WeakPolarHBondContact CA-O 3.39Å; I382-I402 HydrophobicContact CG1-CB 3.86Å; I382-I402 HydrophobicContact CG1-CG2 4.26Å; I382-I402 PolarHBondContact N-O 2.75Å; I382-I402 PolarHBondContact O-N 3.39Å; V384-I402 HydrophobicContact CG2-CD1 3.73Å; V400-I402 HydrophobicContact CG1-CD1 4.36Å; V400-I402 HydrophobicContact CG1-CG1 4.29Å; V400-I402 HydrophobicContact CG2-CG1 4.31Å
403	H	96.8	Very high	93.3	Very high	5 Å²	5	29.7 Å²	29.7	2%	0.023	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	117.6	177.4	-174	-60.6	0	0	0	109.3	P53 L54 F56 K380 Y381 Y405 G407 R408	P53-H403 CarbonylContact C-O 3.51Å; P53-H403 VanDerWaalsContact CA-O 3.28Å; P53-H403 WeakPolarHBondContact CA-O 3.17Å; L54-H403 HydrophobicContact CD1-CB 4.05Å; L54-H403 PolarHBondContact N-O 2.87Å; L54-H403 PolarHBondContact O-N 2.85Å; F56-H403 HydrophobicContact CB-CB 4.07Å; F56-H403 HydrophobicContact CD2-CB 4.23Å; F56-H403 HydrophobicContact CG-CB 4.43Å; K380-H403 CarbonylContact O-C 3.55Å; K380-H403 WeakPolarHBondContact O-CA 3.23Å; Y381-H403 HydrophobicContact CD1-CB 4.21Å; Y381-H403 HydrophobicContact CE1-CB 3.96Å; Y381-H403 AromaticContact CE1-CD2 3.68Å; Y381-H403 AromaticContact CZ-CD2 3.7Å; H403-Y405 PolarHBondContact ND1-N 3.12Å; H403-Y405 PolarHBondContact O-N 2.82Å; H403-G407 PolarHBondContact CE1-N 3.31Å; H403-G407 PolarHBondContact ND1-N 2.73Å; H403-G407 VanDerWaalsContact ND1-N 3.15Å; H403-R408 PolarHBondContact CE1-N 3.3Å; H403-R408 PolarHBondContact CE1-O 2.87Å
404	L	96.1	Very high	93.1	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-29.1	-169.6	-63.7	178.9	0	0	0	114.6	L51 D52 P53 Y326 K380 I382	L51-L404 HydrophobicContact CD2-CB 4.1Å; D52-L404 CarbonylContact C-O 3.54Å; D52-L404 PolarHBondContact N-O 3.19Å; P53-L404 HydrophobicContact CB-CD2 4.46Å; P53-L404 HydrophobicContact CG-CD2 4.42Å; Y326-L404 HydrophobicContact CD1-CD2 4.44Å; Y326-L404 HydrophobicContact CE1-CD2 3.57Å; K380-L404 WeakPolarHBondContact O-CB 3.47Å; K380-L404 WeakPolarHBondContact O-CG 3.31Å; K380-L404 PolarHBondContact O-N 2.71Å; I382-L404 HydrophobicContact CD1-CD2 4.15Å; I382-L404 HydrophobicContact CG1-CD2 4.09Å; I382-L404 HydrophobicContact CG2-CD1 4.26Å; I382-L404 HydrophobicContact CG2-CD2 4.19Å
405	Y	93.9	Very high	92.8	Very high	43 Å²	43	29.9 Å²	29.9	17%	0.169	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-110.3	34	-174.5	-50.2	-73.3	0	0	0	114.2	R49 L51 K380 H403 G407 R408	R49-Y405 HydrophobicContact CB-CD1 3.53Å; R49-Y405 HydrophobicContact CB-CE1 3.56Å; R49-Y405 HydrophobicContact CB-CG 4.36Å; R49-Y405 WeakPolarHBondContact O-CE1 3.42Å; L51-Y405 HydrophobicContact CD2-CD1 4.16Å; L51-Y405 HydrophobicContact CD2-CE1 3.67Å; K380-Y405 HydrophobicContact CB-CD2 4.24Å; K380-Y405 HydrophobicContact CG-CD2 4.15Å; K380-Y405 HydrophobicContact CG-CE2 4.48Å; H403-Y405 PolarHBondContact ND1-N 3.12Å; H403-Y405 PolarHBondContact O-N 2.82Å; Y405-G407 VanDerWaalsContact C-N 3.34Å; Y405-G407 PolarHBondContact O-N 3.13Å; Y405-R408 WeakPolarHBondContact O-CB 3.4Å; Y405-R408 WeakPolarHBondContact O-CG 3.27Å; Y405-R408 PolarHBondContact O-N 3.24Å
406	G	83.9	Confident	92.4	Very high	21 Å²	21	28.1 Å²	28.1	22%	0.216	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	29.7	170.9	0	0	0	0	0	116	D52	D52-G406 WeakPolarHBondContact O-CA 3.27Å; D52-G406 PolarHBondContact O-N 3.45Å
407	G	73.8	Confident	91.9	Very high	49 Å²	49	28.8 Å²	28.8	51%	0.505	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	24.5	-177.6	0	0	0	0	0	115.4	H403 Y405	H403-G407 PolarHBondContact CE1-N 3.31Å; H403-G407 PolarHBondContact ND1-N 2.73Å; H403-G407 VanDerWaalsContact ND1-N 3.15Å; Y405-G407 VanDerWaalsContact C-N 3.34Å; Y405-G407 PolarHBondContact O-N 3.13Å
408	R	69	Low	91.3	Very high	214 Å²	214	31.4 Å²	31.4	81%	0.808	16%	0.162	S	C	*	.			trans	-106.8	0	-179.9	-52.6	176.2	-163.2	173.4	10.2	111.8	H403 Y405	H403-R408 PolarHBondContact CE1-N 3.3Å; H403-R408 PolarHBondContact CE1-O 2.87Å; Y405-R408 WeakPolarHBondContact O-CB 3.4Å; Y405-R408 WeakPolarHBondContact O-CG 3.27Å; Y405-R408 PolarHBondContact O-N 3.24Å

Retrieved 408 of 408 residues in 381.8 ms (Link to these results)

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