A0A2K5YTC9_MANLE Loading...

TLE family member 3, transcriptional corepressor

Transcriptional corepressor that binds to a number of transcription factors. Inhibits the transcriptional activation mediated by CTNNB1 and TCF family members in Wnt signaling. The effects of full-length TLE family members may be modulated by association with dominant-negative AES.

AlphaFold DB , UniProt , Accession A0A2K5YTC9, Species MANLE (Mandrillus leucophaeus, Drill), Gene TLE3, Length 782 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.9	Very low	39.9	Very low	243 Å²	243	163 Å²	163	100%	1.197	86%	0.855	S	S	*	*				0	134.3	0	-77.9	166.2	152.5	0	0	107.7
2	Y	33.3	Very low	39.4	Very low	227 Å²	227	165.1 Å²	165.1	89%	0.89	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-88.1	133.3	168.3	-82.7	-88.7	0	0	0	109.6	Q4	Y2-Q4 PolarHBondContact O-N 3.39Å
3	P	50	Low	39.6	Very low	124 Å²	124	162.8 Å²	162.8	81%	0.805	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-70.7	121.6	168.7	29.3	-31.8	0	0	0	109.3	G5	P3-G5 PolarHBondContact O-N 3.46Å
4	Q	39.1	Very low	39.3	Very low	189 Å²	189	156 Å²	156	88%	0.883	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-73.3	118.4	177.9	-69.2	172.3	-52.8	0	0	110.1	Y2 R6	Y2-Q4 PolarHBondContact O-N 3.39Å; Q4-R6 PolarHBondContact O-N 3.45Å
5	G	41.8	Very low	39.1	Very low	70 Å²	70	157.9 Å²	157.9	72%	0.722	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-63.2	120.7	175.6	0	0	0	0	0	111.6	P3 H7	P3-G5 PolarHBondContact O-N 3.46Å; G5-H7 PolarHBondContact O-N 3.09Å
6	R	37.4	Very low	39.7	Very low	246 Å²	246	154.4 Å²	154.4	93%	0.928	84%	0.836	S	S	*	*			trans	-74.6	114.5	167.8	-88.9	-177.4	166.5	177.4	-4.1	109.5	Q4	Q4-R6 PolarHBondContact O-N 3.45Å
7	H	38.9	Very low	40.2	Very low	181 Å²	181	149.8 Å²	149.8	84%	0.838	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-64	134.5	159.9	-69.4	-86.4	0	0	0	109.8	G5	G5-H7 PolarHBondContact O-N 3.09Å
8	P	42.8	Very low	40.5	Very low	117 Å²	117	152.5 Å²	152.5	76%	0.76	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-72	147.4	165.3	30.7	-32.9	0	0	0	110.4
9	A	38.7	Very low	40.8	Very low	84 Å²	84	154.2 Å²	154.2	69%	0.694	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-74.7	153.8	176.6	0	0	0	0	0	111.7
10	P	41.6	Very low	41.4	Very low	130 Å²	130	153.8 Å²	153.8	84%	0.844	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-68.8	132.3	179.7	28.1	-34.7	0	0	0	111.9
11	H	39.2	Very low	42.5	Very low	182 Å²	182	149.4 Å²	149.4	84%	0.843	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-72.4	134.8	176.1	-74	-92.7	0	0	0	112
12	Q	34.6	Very low	44.1	Very low	188 Å²	188	143.8 Å²	143.8	88%	0.879	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-78.3	147.2	162.8	-80.9	-173	-14	0	0	111
13	P	41.5	Very low	46	Very low	136 Å²	136	135.8 Å²	135.8	88%	0.883	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-86.4	120.6	-179	32.6	-32.7	0	0	0	112.3
14	G	35.9	Very low	47.3	Very low	67 Å²	67	134.6 Å²	134.6	69%	0.691	75%	0.747	S	S	*	*			trans	-177.3	82.2	176.4	0	0	0	0	0	117.3
15	Q	35.4	Very low	49	Very low	184 Å²	184	127.7 Å²	127.7	86%	0.86	72%	0.719	S	S	*	*			trans	64.7	162.2	164.5	-59.5	-78.2	-17.2	0	0	115.6
16	P	49	Very low	50.6	Low	102 Å²	102	128 Å²	128	66%	0.662	71%	0.709	S	S	*	*				-127.4	150.3	-63.6	31	-15.8	0	0	0	114.1	F18	P16-F18 PolarHBondContact O-N 3.3Å
17	G	49.1	Very low	52.8	Low	76 Å²	76	120.4 Å²	120.4	78%	0.784	69%	0.687	S	S	*	*			trans	75.5	18.7	143.5	0	0	0	0	0	119.1	K19	G17-K19 PolarHBondContact O-N 2.91Å
18	F	44.8	Very low	55	Low	199 Å²	199	119.3 Å²	119.3	87%	0.873	68%	0.675	S	S	*	*			trans	-64.7	97.3	165.4	-95	-88.1	0	0	0	110.4	P16 F20	P16-F18 PolarHBondContact O-N 3.3Å; F18-F20 PolarHBondContact O-N 3.1Å; F18-F20 VanDerWaalsContact O-N 3.1Å
19	K	46.1	Very low	57	Low	184 Å²	184	119.1 Å²	119.1	80%	0.8	67%	0.667	S	S	*	*			trans	-71.2	97.9	166.4	-70.8	-177.3	179.2	179.6	0	108	G17 T21	G17-K19 PolarHBondContact O-N 2.91Å; K19-T21 PolarHBondContact O-N 2.62Å
20	F	52.4	Low	59.4	Low	146 Å²	146	121.1 Å²	121.1	64%	0.64	66%	0.66	S	S	*	*			trans	-51.2	110.6	167.2	-131.3	-84.8	0	0	0	108.3	F18 S25	F18-F20 PolarHBondContact O-N 3.1Å; F18-F20 VanDerWaalsContact O-N 3.1Å; F20-S25 WeakPolarHBondContact CD1-OG 3.23Å
21	T	66	Low	61.7	Low	62 Å²	62	119.9 Å²	119.9	38%	0.38	65%	0.646	S	S	.	*			trans	-81.5	149.6	-178.5	68.6	0	0	0	0	110.2	K19 A23 E24 S25	K19-T21 PolarHBondContact O-N 2.62Å; T21-A23 PolarHBondContact O-N 2.76Å; T21-E24 VanDerWaalsContact CB-OE2 3.28Å; T21-E24 WeakPolarHBondContact CB-OE2 3.49Å; T21-E24 WeakPolarHBondContact CG2-OE2 3.31Å; T21-E24 PolarHBondContact N-OE2 3.14Å; T21-E24 PolarHBondContact O-N 2.96Å; T21-E24 VanDerWaalsContact OG1-CD 3.28Å; T21-E24 VanDerWaalsContact OG1-CG 3.27Å; T21-E24 WeakPolarHBondContact OG1-CG 3.39Å; T21-E24 PolarHBondContact OG1-N 2.83Å; T21-E24 PolarHBondContact OG1-OE2 3.1Å; T21-S25 PolarHBondContact O-N 3.21Å; T21-S25 PolarHBondContact O-OG 3.12Å
22	V	67.8	Low	63.9	Low	126 Å²	126	117.6 Å²	117.6	76%	0.764	64%	0.636	S	S	*	*	H	α-helix	trans	-63.6	-27.4	175.7	-177.2	0	0	0	0	110.5	S25 C26	V22-S25 PolarHBondContact O-N 3.19Å; V22-C26 VanDerWaalsContact O-CB 3.31Å; V22-C26 WeakPolarHBondContact O-CB 3.49Å; V22-C26 PolarHBondContact O-N 2.97Å
23	A	74.9	Confident	66.6	Low	59 Å²	59	114.9 Å²	114.9	49%	0.488	62%	0.621	S	S	.	*	H	α-helix	trans	-61.8	-58.3	172.6	0	0	0	0	0	112.2	T21 S25 C26 D27	T21-A23 PolarHBondContact O-N 2.76Å; A23-S25 PolarHBondContact O-N 2.83Å; A23-S25 VanDerWaalsContact O-N 3.08Å; A23-C26 WeakPolarHBondContact O-CA 3.38Å; A23-C26 WeakPolarHBondContact O-CB 3.35Å; A23-C26 PolarHBondContact O-N 3.31Å; A23-D27 PolarHBondContact O-N 3.22Å
24	E	77.1	Confident	68.9	Low	99 Å²	99	113.9 Å²	113.9	46%	0.463	61%	0.605	S	S	.	*	H	α-helix	trans	-56.3	-30.3	178.1	-67.6	159.7	119.5	0	0	112.9	T21 R28	T21-E24 VanDerWaalsContact CB-OE2 3.28Å; T21-E24 WeakPolarHBondContact CB-OE2 3.49Å; T21-E24 WeakPolarHBondContact CG2-OE2 3.31Å; T21-E24 PolarHBondContact N-OE2 3.14Å; T21-E24 PolarHBondContact O-N 2.96Å; T21-E24 VanDerWaalsContact OG1-CD 3.28Å; T21-E24 VanDerWaalsContact OG1-CG 3.27Å; T21-E24 WeakPolarHBondContact OG1-CG 3.39Å; T21-E24 PolarHBondContact OG1-N 2.83Å; T21-E24 PolarHBondContact OG1-OE2 3.1Å; E24-R28 PolarHBondContact O-N 2.84Å
25	S	74.6	Confident	71.5	Confident	43 Å²	43	117 Å²	117	30%	0.301	60%	0.6	S	S	.	*	H	α-helix	trans	-73.3	-42	175.1	-50.6	0	0	0	0	111.9	F20 T21 V22 A23 I29	F20-S25 WeakPolarHBondContact CD1-OG 3.23Å; T21-S25 PolarHBondContact O-N 3.21Å; T21-S25 PolarHBondContact O-OG 3.12Å; V22-S25 PolarHBondContact O-N 3.19Å; A23-S25 PolarHBondContact O-N 2.83Å; A23-S25 VanDerWaalsContact O-N 3.08Å; S25-I29 WeakPolarHBondContact O-CD1 3.28Å; S25-I29 VanDerWaalsContact O-CG1 3.32Å; S25-I29 WeakPolarHBondContact O-CG1 3.32Å; S25-I29 PolarHBondContact O-N 3.07Å; S25-I29 VanDerWaalsContact O-N 3.16Å
26	C	75.1	Confident	74.1	Confident	76 Å²	76	113.8 Å²	113.8	51%	0.514	59%	0.588	S	S	.	*	H	α-helix	trans	-68.2	-42.2	178.6	-160.8	0	0	0	0	111.4	V22 A23 I29 K30	V22-C26 VanDerWaalsContact O-CB 3.31Å; V22-C26 WeakPolarHBondContact O-CB 3.49Å; V22-C26 PolarHBondContact O-N 2.97Å; A23-C26 WeakPolarHBondContact O-CA 3.38Å; A23-C26 WeakPolarHBondContact O-CB 3.35Å; A23-C26 PolarHBondContact O-N 3.31Å; C26-I29 PolarHBondContact O-N 2.55Å; C26-K30 WeakPolarHBondContact O-CB 3.29Å; C26-K30 PolarHBondContact O-N 3.37Å
27	D	84.3	Confident	76	Confident	87 Å²	87	114.3 Å²	114.3	47%	0.465	58%	0.581	S	S	.	*	H	α-helix	trans	-64.3	-40.7	177.3	-67.2	-40	0	0	0	111.4	A23 I29 K30 D31	A23-D27 PolarHBondContact O-N 3.22Å; D27-I29 PolarHBondContact O-N 3.49Å; D27-K30 VanDerWaalsContact O-CB 3.3Å; D27-K30 WeakPolarHBondContact O-CB 3.44Å; D27-K30 PolarHBondContact O-N 2.91Å; D27-K30 VanDerWaalsContact O-N 3.13Å; D27-D31 PolarHBondContact O-N 3.16Å
28	R	84.4	Confident	78	Confident	158 Å²	158	113.5 Å²	113.5	60%	0.596	57%	0.567	S	S	*	*	H	α-helix	trans	-59	-44.5	170.4	-86.6	-169.7	179	-179.7	2.2	113.5	E24 K30 D31 E32	E24-R28 PolarHBondContact O-N 2.84Å; R28-K30 PolarHBondContact O-N 3.29Å; R28-D31 PolarHBondContact O-N 2.91Å; R28-E32 WeakPolarHBondContact O-CB 3.46Å; R28-E32 WeakPolarHBondContact O-CG 3.29Å; R28-E32 PolarHBondContact O-N 2.8Å
29	I	85.1	Confident	80.1	Confident	114 Å²	114	109 Å²	109	59%	0.585	55%	0.549	S	S	*	.	H	α-helix	trans	-63.1	-34.1	177.4	-69.3	164.2	0	0	0	110.4	S25 C26 D27 F33	S25-I29 WeakPolarHBondContact O-CD1 3.28Å; S25-I29 VanDerWaalsContact O-CG1 3.32Å; S25-I29 WeakPolarHBondContact O-CG1 3.32Å; S25-I29 PolarHBondContact O-N 3.07Å; S25-I29 VanDerWaalsContact O-N 3.16Å; C26-I29 PolarHBondContact O-N 2.55Å; D27-I29 PolarHBondContact O-N 3.49Å; I29-F33 VanDerWaalsContact O-CB 3.22Å; I29-F33 WeakPolarHBondContact O-CB 3.49Å; I29-F33 PolarHBondContact O-N 2.84Å
30	K	88.1	Confident	82.2	Confident	125 Å²	125	108 Å²	108	54%	0.543	54%	0.541	S	S	.	.	H	α-helix	trans	-69.8	-42.6	177	-157.1	178	-173.4	-179.6	0	112.1	C26 D27 R28 F33 Q34	C26-K30 WeakPolarHBondContact O-CB 3.29Å; C26-K30 PolarHBondContact O-N 3.37Å; D27-K30 VanDerWaalsContact O-CB 3.3Å; D27-K30 WeakPolarHBondContact O-CB 3.44Å; D27-K30 PolarHBondContact O-N 2.91Å; D27-K30 VanDerWaalsContact O-N 3.13Å; R28-K30 PolarHBondContact O-N 3.29Å; K30-F33 PolarHBondContact O-N 3.39Å; K30-Q34 WeakPolarHBondContact O-CG 3.19Å; K30-Q34 PolarHBondContact O-N 2.89Å
31	D	89.6	Confident	84.1	Confident	105 Å²	105	107 Å²	107	56%	0.561	54%	0.539	S	S	*	.	H	α-helix	trans	-66	-44.2	174.1	-71.9	-14.4	0	0	0	111.6	D27 R28 F33 Q34 F35	D27-D31 PolarHBondContact O-N 3.16Å; R28-D31 PolarHBondContact O-N 2.91Å; D31-F33 VanDerWaalsContact C-N 3.33Å; D31-F33 PolarHBondContact O-N 3.31Å; D31-Q34 PolarHBondContact O-N 2.75Å; D31-F35 WeakPolarHBondContact O-CB 3.31Å; D31-F35 PolarHBondContact O-N 3.01Å
32	E	86.8	Confident	85.3	Confident	134 Å²	134	107.3 Å²	107.3	63%	0.626	54%	0.543	S	S	*	.	H	α-helix	trans	-62.9	-38.6	174.7	-75.1	179	-173.7	0	0	111.7	R28 F35 L36	R28-E32 WeakPolarHBondContact O-CB 3.46Å; R28-E32 WeakPolarHBondContact O-CG 3.29Å; R28-E32 PolarHBondContact O-N 2.8Å; E32-F35 PolarHBondContact O-N 2.89Å; E32-L36 WeakPolarHBondContact O-CB 3.43Å; E32-L36 PolarHBondContact O-N 3.48Å
33	F	89.9	Confident	86.5	Confident	130 Å²	130	106.8 Å²	106.8	57%	0.57	54%	0.535	S	S	*	.	H	α-helix	trans	-66.3	-45.4	174.1	-176.4	-91.9	0	0	0	112.1	I29 K30 D31 F35 L36 Q37	I29-F33 VanDerWaalsContact O-CB 3.22Å; I29-F33 WeakPolarHBondContact O-CB 3.49Å; I29-F33 PolarHBondContact O-N 2.84Å; K30-F33 PolarHBondContact O-N 3.39Å; D31-F33 VanDerWaalsContact C-N 3.33Å; D31-F33 PolarHBondContact O-N 3.31Å; F33-F35 VanDerWaalsContact C-N 3.34Å; F33-F35 PolarHBondContact O-N 2.89Å; F33-L36 PolarHBondContact O-N 2.97Å; F33-Q37 VanDerWaalsContact O-CB 3.31Å; F33-Q37 WeakPolarHBondContact O-CB 3.44Å; F33-Q37 PolarHBondContact O-N 3.28Å
34	Q	89.6	Confident	87.3	Confident	115 Å²	115	108.1 Å²	108.1	54%	0.537	53%	0.53	S	S	.	.	H	α-helix	trans	-63	-40.1	175.1	-76.2	-171.2	-0.2	0	0	112	K30 D31 Q37 A38	K30-Q34 WeakPolarHBondContact O-CG 3.19Å; K30-Q34 PolarHBondContact O-N 2.89Å; D31-Q34 PolarHBondContact O-N 2.75Å; Q34-Q37 PolarHBondContact O-N 2.88Å; Q34-A38 WeakPolarHBondContact O-CB 3.4Å; Q34-A38 PolarHBondContact O-N 2.84Å
35	F	91.6	Very high	88.2	Confident	134 Å²	134	107.4 Å²	107.4	59%	0.588	53%	0.532	S	S	*	.	H	α-helix	trans	-61.8	-45.5	174.2	-179.2	-96.9	0	0	0	111.5	D31 E32 F33 Q37 A38 Q39	D31-F35 WeakPolarHBondContact O-CB 3.31Å; D31-F35 PolarHBondContact O-N 3.01Å; E32-F35 PolarHBondContact O-N 2.89Å; F33-F35 VanDerWaalsContact C-N 3.34Å; F33-F35 PolarHBondContact O-N 2.89Å; F35-Q37 PolarHBondContact O-N 3.21Å; F35-A38 PolarHBondContact O-N 2.54Å; F35-Q39 HydrophobicContact CD1-CG 4.14Å; F35-Q39 HydrophobicContact CE1-CG 3.75Å; F35-Q39 HydrophobicContact CZ-CG 3.97Å; F35-Q39 VanDerWaalsContact O-CG 3.32Å; F35-Q39 WeakPolarHBondContact O-CG 3.38Å; F35-Q39 PolarHBondContact O-N 3.07Å
36	L	90.4	Very high	89	Confident	116 Å²	116	111.1 Å²	111.1	61%	0.607	55%	0.545	S	S	*	.	H	α-helix	trans	-65.4	-37.6	176.8	-174.4	61.9	0	0	0	112.2	E32 F33 Q39 Y40	E32-L36 WeakPolarHBondContact O-CB 3.43Å; E32-L36 PolarHBondContact O-N 3.48Å; F33-L36 PolarHBondContact O-N 2.97Å; L36-Q39 PolarHBondContact O-N 3.29Å; L36-Y40 WeakPolarHBondContact O-CB 3.36Å; L36-Y40 PolarHBondContact O-N 3.3Å
37	Q	87.6	Confident	89.7	Confident	112 Å²	112	115.1 Å²	115.1	52%	0.523	55%	0.55	S	S	.	*	H	α-helix	trans	-66.4	-38.6	175.5	-168.6	174	12.6	0	0	111.7	F33 Q34 F35 Y40 H41	F33-Q37 VanDerWaalsContact O-CB 3.31Å; F33-Q37 WeakPolarHBondContact O-CB 3.44Å; F33-Q37 PolarHBondContact O-N 3.28Å; Q34-Q37 PolarHBondContact O-N 2.88Å; F35-Q37 PolarHBondContact O-N 3.21Å; Q37-Y40 PolarHBondContact O-N 3.23Å; Q37-H41 WeakPolarHBondContact O-CB 3.48Å; Q37-H41 PolarHBondContact O-N 3.38Å
38	A	91.6	Very high	90	Very high	59 Å²	59	113.9 Å²	113.9	49%	0.488	54%	0.544	S	S	.	.	H	α-helix	trans	-67.9	-41.5	173.1	0	0	0	0	0	112.4	Q34 F35 H41 S42	Q34-A38 WeakPolarHBondContact O-CB 3.4Å; Q34-A38 PolarHBondContact O-N 2.84Å; F35-A38 PolarHBondContact O-N 2.54Å; A38-H41 PolarHBondContact O-N 3.25Å; A38-S42 WeakPolarHBondContact O-CB 3.21Å; A38-S42 PolarHBondContact O-N 2.94Å
39	Q	89.2	Confident	90.5	Very high	105 Å²	105	111.6 Å²	111.6	49%	0.491	54%	0.538	S	S	.	.	H	α-helix	trans	-60.1	-45.5	172.4	-73.3	-69.4	-52.4	0	0	111.4	F35 L36 H41 S42 L43	F35-Q39 HydrophobicContact CD1-CG 4.14Å; F35-Q39 HydrophobicContact CE1-CG 3.75Å; F35-Q39 HydrophobicContact CZ-CG 3.97Å; F35-Q39 VanDerWaalsContact O-CG 3.32Å; F35-Q39 WeakPolarHBondContact O-CG 3.38Å; F35-Q39 PolarHBondContact O-N 3.07Å; L36-Q39 PolarHBondContact O-N 3.29Å; Q39-H41 PolarHBondContact O-N 3.49Å; Q39-S42 PolarHBondContact O-N 2.95Å; Q39-L43 WeakPolarHBondContact O-CB 3.33Å; Q39-L43 PolarHBondContact O-N 3.38Å
40	Y	89.1	Confident	90.7	Very high	163 Å²	163	111.5 Å²	111.5	64%	0.639	54%	0.538	S	S	*	.	H	α-helix	trans	-60.8	-43.9	175.8	177.2	-100.4	0	0	0	112.2	L36 Q37 L43 K44	L36-Y40 WeakPolarHBondContact O-CB 3.36Å; L36-Y40 PolarHBondContact O-N 3.3Å; Q37-Y40 PolarHBondContact O-N 3.23Å; Y40-L43 PolarHBondContact O-N 2.78Å; Y40-K44 VanDerWaalsContact O-CB 3.29Å; Y40-K44 WeakPolarHBondContact O-CB 3.33Å; Y40-K44 PolarHBondContact O-N 2.88Å
41	H	92.8	Very high	90.7	Very high	126 Å²	126	107.4 Å²	107.4	58%	0.583	53%	0.527	S	S	*	.	H	α-helix	trans	-65.7	-41	177.2	-170	74	0	0	0	112.2	Q37 A38 Q39 K44 V45	Q37-H41 WeakPolarHBondContact O-CB 3.48Å; Q37-H41 PolarHBondContact O-N 3.38Å; A38-H41 PolarHBondContact O-N 3.25Å; Q39-H41 PolarHBondContact O-N 3.49Å; H41-K44 WeakPolarHBondContact O-CB 3.36Å; H41-K44 PolarHBondContact O-N 3.32Å; H41-V45 WeakPolarHBondContact O-CG2 3.47Å; H41-V45 PolarHBondContact O-N 2.94Å
42	S	91.4	Very high	90.8	Very high	67 Å²	67	107.6 Å²	107.6	47%	0.469	53%	0.528	S	S	.	.	H	α-helix	trans	-61.5	-45.8	174.2	-167.4	0	0	0	0	111.9	A38 Q39 K44 V45 E46	A38-S42 WeakPolarHBondContact O-CB 3.21Å; A38-S42 PolarHBondContact O-N 2.94Å; Q39-S42 PolarHBondContact O-N 2.95Å; S42-K44 VanDerWaalsContact C-N 3.31Å; S42-K44 PolarHBondContact O-N 2.87Å; S42-V45 PolarHBondContact O-N 2.8Å; S42-E46 PolarHBondContact O-N 3.05Å
43	L	92.5	Very high	91	Very high	115 Å²	115	106 Å²	106	60%	0.602	52%	0.521	S	S	*	.	H	α-helix	trans	-66.4	-33.9	178.4	-174.4	63.6	0	0	0	112	Q39 Y40 E46 Y47	Q39-L43 WeakPolarHBondContact O-CB 3.33Å; Q39-L43 PolarHBondContact O-N 3.38Å; Y40-L43 PolarHBondContact O-N 2.78Å; L43-E46 PolarHBondContact O-N 2.62Å; L43-Y47 WeakPolarHBondContact O-CB 3.39Å; L43-Y47 PolarHBondContact O-N 2.94Å
44	K	93.2	Very high	90.9	Very high	88 Å²	88	106.3 Å²	106.3	38%	0.383	52%	0.522	S	S	.	.	H	α-helix	trans	-63	-44.6	173.1	177.7	56.8	174.4	130.2	0	111.4	Y40 H41 S42 Y47 D48	Y40-K44 VanDerWaalsContact O-CB 3.29Å; Y40-K44 WeakPolarHBondContact O-CB 3.33Å; Y40-K44 PolarHBondContact O-N 2.88Å; H41-K44 WeakPolarHBondContact O-CB 3.36Å; H41-K44 PolarHBondContact O-N 3.32Å; S42-K44 VanDerWaalsContact C-N 3.31Å; S42-K44 PolarHBondContact O-N 2.87Å; K44-Y47 PolarHBondContact O-N 2.7Å; K44-D48 VanDerWaalsContact CE-OD2 3.3Å; K44-D48 WeakPolarHBondContact CE-OD2 3.23Å; K44-D48 IonicContact NZ-OD1 3.19Å; K44-D48 PolarHBondContact NZ-OD1 2.92Å; K44-D48 IonicContact NZ-OD2 2.75Å; K44-D48 PolarHBondContact NZ-OD2 2.87Å; K44-D48 VanDerWaalsContact O-CG 3.28Å; K44-D48 PolarHBondContact O-N 2.78Å
45	V	95.1	Very high	90.9	Very high	83 Å²	83	104.9 Å²	104.9	50%	0.503	52%	0.521	S	S	.	.	H	α-helix	trans	-66.6	-39.7	176	173.7	0	0	0	0	111.9	H41 S42 D48 K49	H41-V45 WeakPolarHBondContact O-CG2 3.47Å; H41-V45 PolarHBondContact O-N 2.94Å; S42-V45 PolarHBondContact O-N 2.8Å; V45-D48 PolarHBondContact O-N 3Å; V45-K49 WeakPolarHBondContact O-CB 3.44Å; V45-K49 PolarHBondContact O-N 2.79Å
46	E	91.1	Very high	90.8	Very high	122 Å²	122	103.4 Å²	103.4	57%	0.57	52%	0.516	S	S	*	.	H	α-helix	trans	-65.1	-39	173.3	-73.1	-163.2	152.4	0	0	112.6	S42 L43 K49 L50	S42-E46 PolarHBondContact O-N 3.05Å; L43-E46 PolarHBondContact O-N 2.62Å; E46-K49 PolarHBondContact O-N 3.3Å; E46-L50 PolarHBondContact O-N 2.56Å
47	Y	89.5	Confident	90.5	Very high	159 Å²	159	104.4 Å²	104.4	62%	0.624	52%	0.519	S	S	*	.	H	α-helix	trans	-62.4	-47	174.5	176.7	-87.7	0	0	0	111.8	L43 K44 K49 L50 A51	L43-Y47 WeakPolarHBondContact O-CB 3.39Å; L43-Y47 PolarHBondContact O-N 2.94Å; K44-Y47 PolarHBondContact O-N 2.7Å; Y47-K49 VanDerWaalsContact C-N 3.29Å; Y47-K49 PolarHBondContact O-N 2.79Å; Y47-L50 PolarHBondContact O-N 2.61Å; Y47-A51 PolarHBondContact O-N 2.93Å
48	D	91.3	Very high	90.1	Very high	61 Å²	61	104.6 Å²	104.6	33%	0.326	52%	0.52	S	S	.	.	H	α-helix	trans	-67	-32.1	179.2	-66.1	-27.4	0	0	0	111.5	K44 V45 N52	K44-D48 VanDerWaalsContact CE-OD2 3.3Å; K44-D48 WeakPolarHBondContact CE-OD2 3.23Å; K44-D48 IonicContact NZ-OD1 3.19Å; K44-D48 PolarHBondContact NZ-OD1 2.92Å; K44-D48 IonicContact NZ-OD2 2.75Å; K44-D48 PolarHBondContact NZ-OD2 2.87Å; K44-D48 VanDerWaalsContact O-CG 3.28Å; K44-D48 PolarHBondContact O-N 2.78Å; V45-D48 PolarHBondContact O-N 3Å; D48-N52 PolarHBondContact O-N 3.09Å
49	K	94.9	Very high	90	Very high	111 Å²	111	110.8 Å²	110.8	48%	0.483	53%	0.531	S	S	.	.	H	α-helix	trans	-64.9	-47.2	169.3	-178.3	177.7	176.1	-74.2	0	112.2	V45 E46 Y47 A51 N52 E53	V45-K49 WeakPolarHBondContact O-CB 3.44Å; V45-K49 PolarHBondContact O-N 2.79Å; E46-K49 PolarHBondContact O-N 3.3Å; Y47-K49 VanDerWaalsContact C-N 3.29Å; Y47-K49 PolarHBondContact O-N 2.79Å; K49-A51 VanDerWaalsContact C-N 3.28Å; K49-A51 PolarHBondContact O-N 3.09Å; K49-N52 PolarHBondContact O-N 3.1Å; K49-E53 WeakPolarHBondContact CE-OE1 3.22Å; K49-E53 IonicContact NZ-OE1 2.69Å; K49-E53 PolarHBondContact NZ-OE1 2.86Å; K49-E53 IonicContact NZ-OE2 2.91Å; K49-E53 PolarHBondContact NZ-OE2 3.36Å; K49-E53 PolarHBondContact O-N 3.04Å
50	L	88.4	Confident	90.1	Very high	112 Å²	112	110.6 Å²	110.6	59%	0.586	53%	0.53	S	S	*	.	H	α-helix	trans	-63.5	-33.7	177.1	-107	68.2	0	0	0	112.3	E46 Y47 N52 K54	E46-L50 PolarHBondContact O-N 2.56Å; Y47-L50 PolarHBondContact O-N 2.61Å; L50-N52 VanDerWaalsContact C-N 3.35Å; L50-K54 VanDerWaalsContact O-CB 3.27Å; L50-K54 WeakPolarHBondContact O-CB 3.16Å; L50-K54 PolarHBondContact O-N 2.9Å
51	A	89	Confident	90.1	Very high	38 Å²	38	109 Å²	109	31%	0.314	52%	0.524	S	S	.	.	H	α-helix	trans	-62.6	-41.9	173.6	0	0	0	0	0	111.6	Y47 K49 K54 T55	Y47-A51 PolarHBondContact O-N 2.93Å; K49-A51 VanDerWaalsContact C-N 3.28Å; K49-A51 PolarHBondContact O-N 3.09Å; A51-K54 PolarHBondContact O-N 2.84Å; A51-T55 PolarHBondContact O-N 3.13Å; A51-T55 VanDerWaalsContact O-N 3.1Å; A51-T55 PolarHBondContact O-OG1 3.29Å
52	N	91.3	Very high	89.9	Confident	109 Å²	109	106.1 Å²	106.1	58%	0.583	52%	0.515	S	S	*	.	H	α-helix	trans	-70.3	-42.9	175.4	-71.1	-21.9	0	0	0	112.7	D48 K49 L50 K54 T55 E56	D48-N52 PolarHBondContact O-N 3.09Å; K49-N52 PolarHBondContact O-N 3.1Å; L50-N52 VanDerWaalsContact C-N 3.35Å; N52-K54 PolarHBondContact O-N 2.61Å; N52-T55 PolarHBondContact O-N 3.41Å; N52-T55 PolarHBondContact O-OG1 2.86Å; N52-E56 WeakPolarHBondContact O-CB 3.34Å; N52-E56 PolarHBondContact O-N 2.92Å
53	E	91.8	Very high	89.9	Confident	100 Å²	100	107.9 Å²	107.9	47%	0.467	52%	0.517	S	S	.	.	H	α-helix	trans	-63.1	-32	174.9	-73.3	177.7	153.3	0	0	111.9	K49 M57	K49-E53 WeakPolarHBondContact CE-OE1 3.22Å; K49-E53 IonicContact NZ-OE1 2.69Å; K49-E53 PolarHBondContact NZ-OE1 2.86Å; K49-E53 IonicContact NZ-OE2 2.91Å; K49-E53 PolarHBondContact NZ-OE2 3.36Å; K49-E53 PolarHBondContact O-N 3.04Å; E53-M57 VanDerWaalsContact O-CB 3.26Å; E53-M57 WeakPolarHBondContact O-CB 3.45Å; E53-M57 PolarHBondContact O-N 2.85Å
54	K	87.3	Confident	89.6	Confident	138 Å²	138	110 Å²	110	60%	0.6	52%	0.518	S	S	*	.	H	α-helix	trans	-66.6	-45.4	172.2	-178.8	-174.8	174.8	-173.5	0	112.5	L50 A51 N52 M57 Q58	L50-K54 VanDerWaalsContact O-CB 3.27Å; L50-K54 WeakPolarHBondContact O-CB 3.16Å; L50-K54 PolarHBondContact O-N 2.9Å; A51-K54 PolarHBondContact O-N 2.84Å; N52-K54 PolarHBondContact O-N 2.61Å; K54-M57 PolarHBondContact O-N 3.16Å; K54-Q58 VanDerWaalsContact O-CB 3.3Å; K54-Q58 WeakPolarHBondContact O-CB 3.41Å; K54-Q58 PolarHBondContact O-N 2.53Å
55	T	89.9	Confident	89.4	Confident	84 Å²	84	111.3 Å²	111.3	52%	0.515	52%	0.521	S	S	.	.	H	α-helix	trans	-70.5	-36.7	179.4	53.2	0	0	0	0	111.8	A51 N52 Q58 R59	A51-T55 PolarHBondContact O-N 3.13Å; A51-T55 VanDerWaalsContact O-N 3.1Å; A51-T55 PolarHBondContact O-OG1 3.29Å; N52-T55 PolarHBondContact O-N 3.41Å; N52-T55 PolarHBondContact O-OG1 2.86Å; T55-Q58 PolarHBondContact O-N 2.87Å; T55-R59 WeakPolarHBondContact O-CB 3.31Å; T55-R59 PolarHBondContact O-N 3.48Å
56	E	90.4	Very high	89	Confident	104 Å²	104	113.7 Å²	113.7	49%	0.486	53%	0.527	S	S	.	.	H	α-helix	trans	-59.1	-49.3	171.3	-165.2	68.2	-120	0	0	111.3	N52 R59 H60	N52-E56 WeakPolarHBondContact O-CB 3.34Å; N52-E56 PolarHBondContact O-N 2.92Å; E56-R59 WeakPolarHBondContact O-CB 3.26Å; E56-R59 PolarHBondContact O-N 2.78Å; E56-H60 PolarHBondContact O-N 2.87Å; E56-H60 VanDerWaalsContact O-N 3.07Å; E56-H60 PolarHBondContact O-ND1 2.94Å; E56-H60 IonicContact OE1-CE1 3.8Å; E56-H60 PolarHBondContact OE1-CE1 2.93Å; E56-H60 IonicContact OE1-ND1 3.81Å
57	M	82.4	Confident	88.8	Confident	136 Å²	136	112.8 Å²	112.8	67%	0.67	52%	0.524	S	S	*	.	H	α-helix	trans	-66.4	-37.7	177.7	-176.2	168	59	0	0	112.4	E53 K54 R59 H60 Y61	E53-M57 VanDerWaalsContact O-CB 3.26Å; E53-M57 WeakPolarHBondContact O-CB 3.45Å; E53-M57 PolarHBondContact O-N 2.85Å; K54-M57 PolarHBondContact O-N 3.16Å; M57-R59 VanDerWaalsContact C-N 3.33Å; M57-R59 PolarHBondContact O-N 3.45Å; M57-H60 PolarHBondContact O-N 3.22Å; M57-Y61 PolarHBondContact O-N 2.91Å
58	Q	80.1	Confident	88.4	Confident	116 Å²	116	107.5 Å²	107.5	54%	0.542	51%	0.51	S	S	.	.	H	α-helix	trans	-65	-36.5	174.6	-174.1	171.5	-12.2	0	0	111.7	K54 T55 Y61 V62	K54-Q58 VanDerWaalsContact O-CB 3.3Å; K54-Q58 WeakPolarHBondContact O-CB 3.41Å; K54-Q58 PolarHBondContact O-N 2.53Å; T55-Q58 PolarHBondContact O-N 2.87Å; Q58-Y61 PolarHBondContact O-N 3.08Å; Q58-V62 WeakPolarHBondContact O-CG2 3.31Å; Q58-V62 PolarHBondContact O-N 3.28Å
59	R	90.3	Very high	88.2	Confident	190 Å²	190	111.2 Å²	111.2	72%	0.717	52%	0.521	S	S	*	.	H	α-helix	trans	-63.7	-44.8	173.9	-162.7	-177.3	-152.9	126.4	6.5	111.8	T55 E56 M57 V62 M63	T55-R59 WeakPolarHBondContact O-CB 3.31Å; T55-R59 PolarHBondContact O-N 3.48Å; E56-R59 WeakPolarHBondContact O-CB 3.26Å; E56-R59 PolarHBondContact O-N 2.78Å; M57-R59 VanDerWaalsContact C-N 3.33Å; M57-R59 PolarHBondContact O-N 3.45Å; R59-V62 PolarHBondContact O-N 3.39Å; R59-M63 WeakPolarHBondContact O-CB 3.28Å; R59-M63 PolarHBondContact O-N 2.93Å
60	H	89.7	Confident	87.9	Confident	100 Å²	100	107.7 Å²	107.7	46%	0.463	52%	0.516	S	S	.	.	H	α-helix	trans	-63.7	-39	175.2	-75.2	85.9	0	0	0	112.4	E56 M57 M63 Y64	E56-H60 PolarHBondContact O-N 2.87Å; E56-H60 VanDerWaalsContact O-N 3.07Å; E56-H60 PolarHBondContact O-ND1 2.94Å; E56-H60 IonicContact OE1-CE1 3.8Å; E56-H60 PolarHBondContact OE1-CE1 2.93Å; E56-H60 IonicContact OE1-ND1 3.81Å; M57-H60 PolarHBondContact O-N 3.22Å; H60-M63 PolarHBondContact O-N 2.85Å; H60-Y64 WeakPolarHBondContact O-CB 3.27Å; H60-Y64 PolarHBondContact O-N 2.92Å
61	Y	89.5	Confident	87.7	Confident	130 Å²	130	107.8 Å²	107.8	51%	0.51	52%	0.516	S	S	.	.	H	α-helix	trans	-61.9	-47.5	175.4	178.8	-92.6	0	0	0	112.1	M57 Q58 Y64 Y65	M57-Y61 PolarHBondContact O-N 2.91Å; Q58-Y61 PolarHBondContact O-N 3.08Å; Y61-Y64 PolarHBondContact O-N 3.02Å; Y61-Y65 WeakPolarHBondContact O-CB 3.28Å; Y61-Y65 PolarHBondContact O-N 2.89Å
62	V	88.7	Confident	87.5	Confident	66 Å²	66	109.3 Å²	109.3	40%	0.4	52%	0.519	S	S	.	.	H	α-helix	trans	-61.5	-48.2	177	172.4	0	0	0	0	110.9	Q58 R59 Y64 Y65 E66	Q58-V62 WeakPolarHBondContact O-CG2 3.31Å; Q58-V62 PolarHBondContact O-N 3.28Å; R59-V62 PolarHBondContact O-N 3.39Å; V62-Y64 VanDerWaalsContact C-N 3.31Å; V62-Y64 PolarHBondContact O-N 3.33Å; V62-Y65 WeakPolarHBondContact O-CB 3.49Å; V62-Y65 PolarHBondContact O-N 3.12Å; V62-Y65 VanDerWaalsContact O-N 3.15Å; V62-E66 HydrophobicContact CG1-CG 4.37Å; V62-E66 WeakPolarHBondContact O-CG 3.45Å; V62-E66 PolarHBondContact O-N 3.21Å
63	M	91.3	Very high	87.3	Confident	104 Å²	104	107.4 Å²	107.4	51%	0.512	51%	0.508	S	S	.	.	H	α-helix	trans	-57.7	-41.9	177.2	-177.9	-172.7	71.4	0	0	112.4	R59 H60 M67	R59-M63 WeakPolarHBondContact O-CB 3.28Å; R59-M63 PolarHBondContact O-N 2.93Å; H60-M63 PolarHBondContact O-N 2.85Å; M63-M67 VanDerWaalsContact O-CB 3.27Å; M63-M67 WeakPolarHBondContact O-CB 3.48Å; M63-M67 PolarHBondContact O-N 2.75Å
64	Y	86.8	Confident	87.1	Confident	158 Å²	158	106.1 Å²	106.1	62%	0.62	50%	0.502	S	S	*	.	H	α-helix	trans	-68.6	-38.3	177.5	-169.7	-91.3	0	0	0	112.2	H60 Y61 V62 M67 S68	H60-Y64 WeakPolarHBondContact O-CB 3.27Å; H60-Y64 PolarHBondContact O-N 2.92Å; Y61-Y64 PolarHBondContact O-N 3.02Å; V62-Y64 VanDerWaalsContact C-N 3.31Å; V62-Y64 PolarHBondContact O-N 3.33Å; Y64-M67 HydrophobicContact CD2-CE 4.43Å; Y64-S68 VanDerWaalsContact O-CB 3.31Å; Y64-S68 WeakPolarHBondContact O-CB 3.28Å; Y64-S68 PolarHBondContact O-N 2.75Å; Y64-S68 PolarHBondContact O-OG 3.25Å
65	Y	89.3	Confident	86.9	Confident	117 Å²	117	104.7 Å²	104.7	46%	0.459	50%	0.499	S	S	.	.	H	α-helix	trans	-64	-48.4	175.7	-173.3	-93.3	0	0	0	111.7	Y61 V62 S68 Y69 P380	Y61-Y65 WeakPolarHBondContact O-CB 3.28Å; Y61-Y65 PolarHBondContact O-N 2.89Å; V62-Y65 WeakPolarHBondContact O-CB 3.49Å; V62-Y65 PolarHBondContact O-N 3.12Å; V62-Y65 VanDerWaalsContact O-N 3.15Å; Y65-S68 PolarHBondContact O-OG 2.93Å; Y65-Y69 WeakPolarHBondContact O-CB 3.32Å; Y65-Y69 PolarHBondContact O-N 2.87Å; Y65-P380 HydrophobicContact CE2-CG 4.44Å
66	E	86.3	Confident	86.7	Confident	132 Å²	132	106.2 Å²	106.2	62%	0.617	50%	0.5	S	S	*	.	H	α-helix	trans	-62	-45.2	176.4	-69.7	-179.3	148.5	0	0	112.2	V62 G70	V62-E66 HydrophobicContact CG1-CG 4.37Å; V62-E66 WeakPolarHBondContact O-CG 3.45Å; V62-E66 PolarHBondContact O-N 3.21Å; E66-G70 PolarHBondContact O-N 3.48Å
67	M	87	Confident	86.6	Confident	104 Å²	104	106.1 Å²	106.1	51%	0.512	50%	0.498	S	S	.	.	H	α-helix	trans	-66.1	-43.9	179.6	-177.5	171.8	61.3	0	0	112.4	M63 Y64 G70 L71	M63-M67 VanDerWaalsContact O-CB 3.27Å; M63-M67 WeakPolarHBondContact O-CB 3.48Å; M63-M67 PolarHBondContact O-N 2.75Å; Y64-M67 HydrophobicContact CD2-CE 4.43Å; M67-G70 PolarHBondContact O-N 3.23Å; M67-L71 HydrophobicContact CG-CD1 4.09Å; M67-L71 WeakPolarHBondContact O-CB 3.24Å; M67-L71 VanDerWaalsContact O-CG 3.28Å; M67-L71 WeakPolarHBondContact O-CG 3.44Å; M67-L71 PolarHBondContact O-N 2.7Å
68	S	81.6	Confident	86.6	Confident	48 Å²	48	104.5 Å²	104.5	34%	0.336	49%	0.489	S	S	.	.	H	α-helix	trans	-68.9	-38.4	177.7	55.4	0	0	0	0	112.3	Y64 Y65 L71 N72	Y64-S68 VanDerWaalsContact O-CB 3.31Å; Y64-S68 WeakPolarHBondContact O-CB 3.28Å; Y64-S68 PolarHBondContact O-N 2.75Å; Y64-S68 PolarHBondContact O-OG 3.25Å; Y65-S68 PolarHBondContact O-OG 2.93Å; S68-L71 PolarHBondContact O-N 2.86Å; S68-N72 VanDerWaalsContact O-CB 3.23Å; S68-N72 WeakPolarHBondContact O-CB 3.42Å; S68-N72 PolarHBondContact O-N 3.01Å
69	Y	86.5	Confident	86.8	Confident	138 Å²	138	102.1 Å²	102.1	54%	0.541	48%	0.483	S	S	.	.	H	α-helix	trans	-64.8	-43	173.9	-172.5	-111.2	0	0	0	112	Y65 N72 I73	Y65-Y69 WeakPolarHBondContact O-CB 3.32Å; Y65-Y69 PolarHBondContact O-N 2.87Å; Y69-N72 PolarHBondContact O-N 2.67Å; Y69-I73 HydrophobicContact CD1-CD1 3.86Å; Y69-I73 HydrophobicContact CE1-CD1 3.41Å; Y69-I73 VanDerWaalsContact CE1-CD1 3.41Å; Y69-I73 HydrophobicContact CE1-CG1 4.45Å; Y69-I73 HydrophobicContact CE2-CD1 4.41Å; Y69-I73 WeakPolarHBondContact O-CG1 3.47Å; Y69-I73 PolarHBondContact O-N 3.26Å
70	G	87.8	Confident	86.6	Confident	37 Å²	37	96.6 Å²	96.6	38%	0.381	47%	0.465	S	S	.	.	H	α-helix	trans	-61.9	-45.9	174.5	0	0	0	0	0	113.2	E66 M67 N72 I73 E74	E66-G70 PolarHBondContact O-N 3.48Å; M67-G70 PolarHBondContact O-N 3.23Å; G70-N72 VanDerWaalsContact C-N 3.35Å; G70-N72 PolarHBondContact O-N 2.98Å; G70-I73 PolarHBondContact O-N 2.98Å; G70-E74 PolarHBondContact O-N 2.98Å
71	L	85.8	Confident	86.4	Confident	114 Å²	114	95.8 Å²	95.8	60%	0.597	46%	0.463	S	S	*	.	H	α-helix	trans	-62.3	-40.3	174.2	-74.7	170.2	0	0	0	112	M67 S68 E74 M75	M67-L71 HydrophobicContact CG-CD1 4.09Å; M67-L71 WeakPolarHBondContact O-CB 3.24Å; M67-L71 VanDerWaalsContact O-CG 3.28Å; M67-L71 WeakPolarHBondContact O-CG 3.44Å; M67-L71 PolarHBondContact O-N 2.7Å; S68-L71 PolarHBondContact O-N 2.86Å; L71-E74 PolarHBondContact O-N 3.15Å; L71-M75 WeakPolarHBondContact O-CB 3.49Å; L71-M75 PolarHBondContact O-N 3.46Å
72	N	84.9	Confident	86	Confident	71 Å²	71	91.6 Å²	91.6	38%	0.38	46%	0.455	S	S	.	.	H	α-helix	trans	-65.6	-42.5	177.9	-171.3	21.7	0	0	0	111.9	S68 Y69 G70 M75 H76	S68-N72 VanDerWaalsContact O-CB 3.23Å; S68-N72 WeakPolarHBondContact O-CB 3.42Å; S68-N72 PolarHBondContact O-N 3.01Å; Y69-N72 PolarHBondContact O-N 2.67Å; G70-N72 VanDerWaalsContact C-N 3.35Å; G70-N72 PolarHBondContact O-N 2.98Å; N72-M75 PolarHBondContact O-N 2.88Å; N72-M75 WeakPolarHBondContact OD1-CE 3.27Å; N72-H76 PolarHBondContact O-N 3.3Å; N72-H76 PolarHBondContact O-ND1 2.9Å; N72-H76 PolarHBondContact OD1-CE1 3.36Å; N72-H76 PolarHBondContact OD1-ND1 3.3Å
73	I	86.9	Confident	85.9	Confident	68 Å²	68	94.2 Å²	94.2	35%	0.349	46%	0.461	S	S	.	.	H	α-helix	trans	-59.6	-46.1	172.9	-78.1	173.9	0	0	0	110.9	Y69 G70 H76 K77	Y69-I73 HydrophobicContact CD1-CD1 3.86Å; Y69-I73 HydrophobicContact CE1-CD1 3.41Å; Y69-I73 VanDerWaalsContact CE1-CD1 3.41Å; Y69-I73 HydrophobicContact CE1-CG1 4.45Å; Y69-I73 HydrophobicContact CE2-CD1 4.41Å; Y69-I73 WeakPolarHBondContact O-CG1 3.47Å; Y69-I73 PolarHBondContact O-N 3.26Å; G70-I73 PolarHBondContact O-N 2.98Å; I73-H76 PolarHBondContact O-N 2.95Å; I73-K77 WeakPolarHBondContact O-CG 3.46Å; I73-K77 PolarHBondContact O-N 2.87Å
74	E	85.8	Confident	85.8	Confident	73 Å²	73	96.7 Å²	96.7	34%	0.341	47%	0.465	S	S	.	.	H	α-helix	trans	-67.9	-41.3	-179.5	-165.9	54.5	-136.4	0	0	111.8	G70 L71 H76 K77 Q78	G70-E74 PolarHBondContact O-N 2.98Å; L71-E74 PolarHBondContact O-N 3.15Å; E74-H76 VanDerWaalsContact C-N 3.27Å; E74-H76 PolarHBondContact O-N 2.86Å; E74-K77 WeakPolarHBondContact O-CB 3.38Å; E74-K77 PolarHBondContact O-N 2.78Å; E74-K77 VanDerWaalsContact O-N 3.13Å; E74-K77 WeakPolarHBondContact OE2-CD 3.35Å; E74-K77 WeakPolarHBondContact OE2-CE 3.48Å; E74-K77 IonicContact OE2-NZ 3.73Å; E74-K77 PolarHBondContact OE2-NZ 2.74Å; E74-Q78 WeakPolarHBondContact O-CG 3.42Å; E74-Q78 PolarHBondContact O-N 2.73Å; E74-Q78 PolarHBondContact OE1-NE2 2.72Å
75	M	84.9	Confident	85.6	Confident	109 Å²	109	93.8 Å²	93.8	54%	0.537	46%	0.46	S	S	.	.	H	α-helix	trans	-56	-41.1	171.7	-177.2	-178.6	69.3	0	0	111.9	L71 N72 Q78 T79	L71-M75 WeakPolarHBondContact O-CB 3.49Å; L71-M75 PolarHBondContact O-N 3.46Å; N72-M75 PolarHBondContact O-N 2.88Å; N72-M75 WeakPolarHBondContact OD1-CE 3.27Å; M75-Q78 PolarHBondContact O-N 2.92Å; M75-T79 VanDerWaalsContact O-CB 3.31Å; M75-T79 WeakPolarHBondContact O-CB 3.37Å; M75-T79 PolarHBondContact O-N 3.14Å; M75-T79 PolarHBondContact O-OG1 2.79Å
76	H	84.1	Confident	85.3	Confident	115 Å²	115	91.2 Å²	91.2	53%	0.532	45%	0.454	S	S	.	.	H	α-helix	trans	-66.1	-41.3	175.7	-82.1	78.3	0	0	0	112.5	N72 I73 E74 T79 E80	N72-H76 PolarHBondContact O-N 3.3Å; N72-H76 PolarHBondContact O-ND1 2.9Å; N72-H76 PolarHBondContact OD1-CE1 3.36Å; N72-H76 PolarHBondContact OD1-ND1 3.3Å; I73-H76 PolarHBondContact O-N 2.95Å; E74-H76 VanDerWaalsContact C-N 3.27Å; E74-H76 PolarHBondContact O-N 2.86Å; H76-T79 PolarHBondContact O-N 2.93Å; H76-E80 WeakPolarHBondContact O-CB 3.49Å; H76-E80 PolarHBondContact O-N 2.95Å
77	K	88.5	Confident	85.2	Confident	103 Å²	103	88.6 Å²	88.6	45%	0.448	45%	0.447	S	S	.	.	H	α-helix	trans	-61	-48.8	172.8	-66	-179.7	-149.8	152.3	0	111.8	I73 E74 T79 E80 I81	I73-K77 WeakPolarHBondContact O-CG 3.46Å; I73-K77 PolarHBondContact O-N 2.87Å; E74-K77 WeakPolarHBondContact O-CB 3.38Å; E74-K77 PolarHBondContact O-N 2.78Å; E74-K77 VanDerWaalsContact O-N 3.13Å; E74-K77 WeakPolarHBondContact OE2-CD 3.35Å; E74-K77 WeakPolarHBondContact OE2-CE 3.48Å; E74-K77 IonicContact OE2-NZ 3.73Å; E74-K77 PolarHBondContact OE2-NZ 2.74Å; K77-T79 VanDerWaalsContact C-N 3.3Å; K77-T79 PolarHBondContact O-N 3.4Å; K77-E80 PolarHBondContact O-N 3.44Å; K77-E80 VanDerWaalsContact O-N 3.17Å; K77-I81 VanDerWaalsContact O-CG1 3.31Å; K77-I81 WeakPolarHBondContact O-CG1 3.49Å; K77-I81 PolarHBondContact O-N 2.69Å
78	Q	83.9	Confident	85.1	Confident	102 Å²	102	87.6 Å²	87.6	48%	0.477	44%	0.443	S	S	.	.	H	α-helix	trans	-62.9	-38.6	179.8	-62.7	-56.5	-35.6	0	0	111.3	E74 M75 I81 A82	E74-Q78 WeakPolarHBondContact O-CG 3.42Å; E74-Q78 PolarHBondContact O-N 2.73Å; E74-Q78 PolarHBondContact OE1-NE2 2.72Å; M75-Q78 PolarHBondContact O-N 2.92Å; Q78-I81 PolarHBondContact O-N 3.41Å; Q78-A82 WeakPolarHBondContact O-CB 3.19Å; Q78-A82 PolarHBondContact O-N 2.89Å
79	T	84.3	Confident	84.9	Confident	66 Å²	66	88.7 Å²	88.7	41%	0.405	44%	0.444	S	S	.	.	H	α-helix	trans	-62.2	-42.2	173.2	-59.4	0	0	0	0	112.1	M75 H76 K77 A82 K83	M75-T79 VanDerWaalsContact O-CB 3.31Å; M75-T79 WeakPolarHBondContact O-CB 3.37Å; M75-T79 PolarHBondContact O-N 3.14Å; M75-T79 PolarHBondContact O-OG1 2.79Å; H76-T79 PolarHBondContact O-N 2.93Å; K77-T79 VanDerWaalsContact C-N 3.3Å; K77-T79 PolarHBondContact O-N 3.4Å; T79-A82 PolarHBondContact O-N 2.64Å; T79-K83 WeakPolarHBondContact O-CG 3.39Å; T79-K83 PolarHBondContact O-N 2.8Å
80	E	84.9	Confident	84.5	Confident	74 Å²	74	85.1 Å²	85.1	35%	0.346	44%	0.443	S	S	.	.	H	α-helix	trans	-69.9	-38.5	177.5	179	58.6	-167.6	0	0	112.6	H76 K77 K83 R84	H76-E80 WeakPolarHBondContact O-CB 3.49Å; H76-E80 PolarHBondContact O-N 2.95Å; K77-E80 PolarHBondContact O-N 3.44Å; K77-E80 VanDerWaalsContact O-N 3.17Å; E80-K83 PolarHBondContact O-N 2.89Å; E80-R84 WeakPolarHBondContact O-CG 3.49Å; E80-R84 PolarHBondContact O-N 3.38Å; E80-R84 IonicContact OE1-CZ 2.75Å; E80-R84 IonicContact OE1-NE 2.68Å; E80-R84 PolarHBondContact OE1-NE 2.71Å; E80-R84 IonicContact OE1-NH2 3.92Å; E80-R84 PolarHBondContact OE1-NH2 3.28Å
81	I	86.1	Confident	84.1	Confident	82 Å²	82	89.4 Å²	89.4	42%	0.421	45%	0.454	S	S	.	.	H	α-helix	trans	-61.2	-46	171	-68.3	163.9	0	0	0	110	K77 Q78 K83 R84 L85	K77-I81 VanDerWaalsContact O-CG1 3.31Å; K77-I81 WeakPolarHBondContact O-CG1 3.49Å; K77-I81 PolarHBondContact O-N 2.69Å; Q78-I81 PolarHBondContact O-N 3.41Å; I81-K83 PolarHBondContact O-N 3.3Å; I81-R84 PolarHBondContact O-N 3.35Å; I81-L85 HydrophobicContact CG2-CD1 3.91Å; I81-L85 HydrophobicContact CG2-CG 4.4Å; I81-L85 WeakPolarHBondContact O-CG 3.43Å; I81-L85 PolarHBondContact O-N 3.37Å
82	A	81.1	Confident	83.7	Confident	43 Å²	43	88 Å²	88	36%	0.355	45%	0.446	S	S	.	.	H	α-helix	trans	-61.9	-40.2	176.7	0	0	0	0	0	112.4	Q78 T79 L85 N86	Q78-A82 WeakPolarHBondContact O-CB 3.19Å; Q78-A82 PolarHBondContact O-N 2.89Å; T79-A82 PolarHBondContact O-N 2.64Å; A82-L85 PolarHBondContact O-N 2.86Å; A82-N86 WeakPolarHBondContact O-CB 3.18Å; A82-N86 PolarHBondContact O-N 2.82Å; A82-N86 PolarHBondContact O-ND2 2.78Å
83	K	86.5	Confident	83.1	Confident	121 Å²	121	87 Å²	87	53%	0.526	44%	0.439	S	S	.	.	H	α-helix	trans	-58.9	-49.5	172.1	-75.3	170.2	-178	173.3	0	111.4	T79 E80 I81 L85 N86 T87	T79-K83 WeakPolarHBondContact O-CG 3.39Å; T79-K83 PolarHBondContact O-N 2.8Å; E80-K83 PolarHBondContact O-N 2.89Å; I81-K83 PolarHBondContact O-N 3.3Å; K83-L85 PolarHBondContact O-N 3.38Å; K83-N86 PolarHBondContact O-N 2.72Å; K83-T87 PolarHBondContact O-N 2.71Å; K83-T87 PolarHBondContact O-OG1 2.88Å; K83-T87 VanDerWaalsContact O-OG1 3.13Å
84	R	88.3	Confident	82.6	Confident	156 Å²	156	88.2 Å²	88.2	59%	0.589	45%	0.452	S	S	*	.	H	α-helix	trans	-62	-42.4	179.8	-69.6	172.7	-170	-155.8	1.3	112.5	E80 I81 T87 I88	E80-R84 WeakPolarHBondContact O-CG 3.49Å; E80-R84 PolarHBondContact O-N 3.38Å; E80-R84 IonicContact OE1-CZ 2.75Å; E80-R84 IonicContact OE1-NE 2.68Å; E80-R84 PolarHBondContact OE1-NE 2.71Å; E80-R84 IonicContact OE1-NH2 3.92Å; E80-R84 PolarHBondContact OE1-NH2 3.28Å; I81-R84 PolarHBondContact O-N 3.35Å; R84-T87 PolarHBondContact O-N 2.82Å; R84-I88 WeakPolarHBondContact O-CG1 3.36Å; R84-I88 PolarHBondContact O-N 3.34Å
85	L	84	Confident	82.1	Confident	96 Å²	96	93.2 Å²	93.2	50%	0.503	47%	0.473	S	S	.	.	H	α-helix	trans	-62.9	-42.5	174.9	-71.1	171.8	0	0	0	111.8	I81 A82 K83 T87 I88 L89	I81-L85 HydrophobicContact CG2-CD1 3.91Å; I81-L85 HydrophobicContact CG2-CG 4.4Å; I81-L85 WeakPolarHBondContact O-CG 3.43Å; I81-L85 PolarHBondContact O-N 3.37Å; A82-L85 PolarHBondContact O-N 2.86Å; K83-L85 PolarHBondContact O-N 3.38Å; L85-T87 PolarHBondContact O-N 3.45Å; L85-I88 PolarHBondContact O-N 3.11Å; L85-L89 WeakPolarHBondContact O-CB 3.1Å; L85-L89 VanDerWaalsContact O-CG 3.29Å; L85-L89 WeakPolarHBondContact O-CG 3.29Å; L85-L89 PolarHBondContact O-N 3.46Å
86	N	82.1	Confident	81.5	Confident	64 Å²	64	91.3 Å²	91.3	34%	0.342	46%	0.464	S	S	.	.	H	α-helix	trans	-62.5	-40	173.8	-81.4	-73.3	0	0	0	112.2	A82 K83 L89 A90	A82-N86 WeakPolarHBondContact O-CB 3.18Å; A82-N86 PolarHBondContact O-N 2.82Å; A82-N86 PolarHBondContact O-ND2 2.78Å; K83-N86 PolarHBondContact O-N 2.72Å; N86-L89 PolarHBondContact O-N 3.01Å; N86-A90 WeakPolarHBondContact O-CB 3.3Å; N86-A90 PolarHBondContact O-N 2.97Å
87	T	84.6	Confident	81.1	Confident	77 Å²	77	89 Å²	89	47%	0.472	46%	0.461	S	S	.	.	H	α-helix	trans	-62.8	-43.7	174.7	-57.7	0	0	0	0	112	K83 R84 L85 A90 Q91	K83-T87 PolarHBondContact O-N 2.71Å; K83-T87 PolarHBondContact O-OG1 2.88Å; K83-T87 VanDerWaalsContact O-OG1 3.13Å; R84-T87 PolarHBondContact O-N 2.82Å; L85-T87 PolarHBondContact O-N 3.45Å; T87-A90 PolarHBondContact O-N 2.88Å; T87-Q91 WeakPolarHBondContact O-CG 3.39Å; T87-Q91 PolarHBondContact O-N 2.95Å
88	I	84.6	Confident	80.3	Confident	83 Å²	83	92 Å²	92	43%	0.426	48%	0.477	S	S	.	.	H	α-helix	trans	-64.1	-43.8	176.7	-68.4	163.4	0	0	0	110.6	R84 L85 A90 Q91 I92	R84-I88 WeakPolarHBondContact O-CG1 3.36Å; R84-I88 PolarHBondContact O-N 3.34Å; L85-I88 PolarHBondContact O-N 3.11Å; I88-A90 PolarHBondContact O-N 3.15Å; I88-Q91 PolarHBondContact O-N 2.86Å; I88-I92 HydrophobicContact CG2-CD1 3.73Å; I88-I92 HydrophobicContact CG2-CG1 4.49Å; I88-I92 WeakPolarHBondContact O-CG1 3.33Å; I88-I92 PolarHBondContact O-N 2.84Å
89	L	76.9	Confident	79.8	Confident	70 Å²	70	94.6 Å²	94.6	37%	0.366	49%	0.489	S	S	.	.	H	α-helix	trans	-61.2	-42.7	175.5	-73.4	166.3	0	0	0	111.8	L85 N86 Q91 I92 M93 V108	L85-L89 WeakPolarHBondContact O-CB 3.1Å; L85-L89 VanDerWaalsContact O-CG 3.29Å; L85-L89 WeakPolarHBondContact O-CG 3.29Å; L85-L89 PolarHBondContact O-N 3.46Å; N86-L89 PolarHBondContact O-N 3.01Å; L89-Q91 VanDerWaalsContact C-N 3.32Å; L89-Q91 PolarHBondContact O-N 3.48Å; L89-I92 PolarHBondContact O-N 3.26Å; L89-M93 WeakPolarHBondContact O-CB 3.5Å; L89-M93 PolarHBondContact O-N 2.97Å; L89-V108 HydrophobicContact CD1-CG2 3.98Å
90	A	78.1	Confident	79.1	Confident	63 Å²	63	95.7 Å²	95.7	52%	0.521	49%	0.489	S	S	.	.	H	α-helix	trans	-65.3	-31.8	175.8	0	0	0	0	0	113.2	N86 T87 I88 P94	N86-A90 WeakPolarHBondContact O-CB 3.3Å; N86-A90 PolarHBondContact O-N 2.97Å; T87-A90 PolarHBondContact O-N 2.88Å; I88-A90 PolarHBondContact O-N 3.15Å; A90-P94 WeakPolarHBondContact O-CD 3.29Å
91	Q	80.4	Confident	78.5	Confident	127 Å²	127	95.7 Å²	95.7	59%	0.593	49%	0.489	S	S	*	.	H	α-helix	trans	-74.9	-31.4	174.1	-74.1	173.6	-8	0	0	113.1	T87 I88 L89 P94 F95	T87-Q91 WeakPolarHBondContact O-CG 3.39Å; T87-Q91 PolarHBondContact O-N 2.95Å; I88-Q91 PolarHBondContact O-N 2.86Å; L89-Q91 VanDerWaalsContact C-N 3.32Å; L89-Q91 PolarHBondContact O-N 3.48Å; Q91-P94 WeakPolarHBondContact O-CD 3.41Å; Q91-F95 WeakPolarHBondContact O-CD2 3.32Å; Q91-F95 WeakPolarHBondContact O-CE2 3.42Å
92	I	77.6	Confident	78	Confident	86 Å²	86	98.2 Å²	98.2	44%	0.441	50%	0.499	S	S	.	.	H	α-helix	trans	-81.9	-31.2	178	-68.6	170.7	0	0	0	111.5	I88 L89 P94 F95 L96	I88-I92 HydrophobicContact CG2-CD1 3.73Å; I88-I92 HydrophobicContact CG2-CG1 4.49Å; I88-I92 WeakPolarHBondContact O-CG1 3.33Å; I88-I92 PolarHBondContact O-N 2.84Å; L89-I92 PolarHBondContact O-N 3.26Å; I92-P94 VanDerWaalsContact C-N 3.35Å; I92-P94 VanDerWaalsContact O-N 3.15Å; I92-F95 WeakPolarHBondContact O-CB 3.39Å; I92-F95 PolarHBondContact O-N 2.87Å; I92-L96 HydrophobicContact CG2-CD1 3.77Å
93	M	72.6	Confident	77.8	Confident	48 Å²	48	102.3 Å²	102.3	24%	0.236	51%	0.511	C	S	.	.	G	3₁₀ helix	trans	-49.2	-37.6	-176.1	-170.9	174.6	-71.2	0	0	116	L89 F95 Q101 V104 A105	L89-M93 WeakPolarHBondContact O-CB 3.5Å; L89-M93 PolarHBondContact O-N 2.97Å; M93-F95 PolarHBondContact O-N 3.49Å; M93-Q101 HydrophobicContact CG-CG 3.52Å; M93-Q101 HydrophobicContact SD-CG 4.24Å; M93-V104 HydrophobicContact CE-CG1 4.41Å; M93-A105 HydrophobicContact CE-CB 4.43Å
94	P	75.7	Confident	77.2	Confident	94 Å²	94	98.7 Å²	98.7	61%	0.61	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-71.8	-9.8	177.7	-18.8	33.9	0	0	0	115.2	A90 Q91 I92	A90-P94 WeakPolarHBondContact O-CD 3.29Å; Q91-P94 WeakPolarHBondContact O-CD 3.41Å; I92-P94 VanDerWaalsContact C-N 3.35Å; I92-P94 VanDerWaalsContact O-N 3.15Å
95	F	75.5	Confident	76.7	Confident	179 Å²	179	93.2 Å²	93.2	79%	0.785	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-99	-0.7	-177.2	-61.9	-83	0	0	0	113.8	Q91 I92 M93	Q91-F95 WeakPolarHBondContact O-CD2 3.32Å; Q91-F95 WeakPolarHBondContact O-CE2 3.42Å; I92-F95 WeakPolarHBondContact O-CB 3.39Å; I92-F95 PolarHBondContact O-N 2.87Å; M93-F95 PolarHBondContact O-N 3.49Å
96	L	72.3	Confident	76.4	Confident	68 Å²	68	94 Å²	94	36%	0.356	49%	0.488	S	S	.	.	S	Bend	trans	-97.1	158.8	174.6	-75.4	106	0	0	0	112.2	I92 H100	I92-L96 HydrophobicContact CG2-CD1 3.77Å; L96-H100 HydrophobicContact CB-CB 4.29Å; L96-H100 HydrophobicContact CD2-CB 3.77Å
97	S	75.6	Confident	76	Confident	67 Å²	67	93.3 Å²	93.3	47%	0.469	49%	0.492	S	S	.	.			trans	-65.9	149.4	169.9	58.8	0	0	0	0	111.5	E99 H100 Q101	S97-E99 PolarHBondContact O-N 3.46Å; S97-E99 VanDerWaalsContact O-N 3.1Å; S97-H100 PolarHBondContact O-N 2.79Å; S97-H100 PolarHBondContact OG-ND1 3.49Å; S97-Q101 PolarHBondContact O-N 2.92Å
98	Q	70.9	Confident	75.6	Confident	166 Å²	166	91 Å²	91	78%	0.776	48%	0.477	S	S	*	.	H	α-helix	trans	-55.9	-32.7	-169.4	-163	172.3	11.6	0	0	114.2	Q101 Q102	Q98-Q101 WeakPolarHBondContact O-CB 3.45Å; Q98-Q102 PolarHBondContact O-N 2.88Å
99	E	73.3	Confident	75.3	Confident	156 Å²	156	90.8 Å²	90.8	73%	0.729	48%	0.475	S	S	*	.	H	α-helix	trans	-66	-51.4	174.5	-176	175	-164.9	0	0	112.2	S97 Q101 Q102 Q103	S97-E99 PolarHBondContact O-N 3.46Å; S97-E99 VanDerWaalsContact O-N 3.1Å; E99-Q101 VanDerWaalsContact C-N 3.29Å; E99-Q101 PolarHBondContact O-N 2.87Å; E99-Q102 PolarHBondContact O-N 3.37Å; E99-Q103 PolarHBondContact O-N 2.92Å; E99-Q103 VanDerWaalsContact O-N 3.13Å
100	H	70.3	Confident	75.3	Confident	90 Å²	90	95 Å²	95	42%	0.417	49%	0.485	S	S	.	.	H	α-helix	trans	-64.4	-34.3	175.1	-65	122.4	0	0	0	111.9	L96 S97 Q102 Q103 V104	L96-H100 HydrophobicContact CB-CB 4.29Å; L96-H100 HydrophobicContact CD2-CB 3.77Å; S97-H100 PolarHBondContact O-N 2.79Å; S97-H100 PolarHBondContact OG-ND1 3.49Å; H100-Q102 VanDerWaalsContact C-N 3.31Å; H100-Q102 PolarHBondContact O-N 3.13Å; H100-Q103 PolarHBondContact O-N 2.87Å; H100-V104 WeakPolarHBondContact O-CB 3.32Å; H100-V104 VanDerWaalsContact O-CG2 3.31Å; H100-V104 WeakPolarHBondContact O-CG2 3.28Å; H100-V104 PolarHBondContact O-N 3.05Å
101	Q	72.4	Confident	74.8	Confident	74 Å²	74	95.4 Å²	95.4	35%	0.346	49%	0.489	S	S	.	.	H	α-helix	trans	-57.7	-44.8	176.8	-163.8	-174.3	1	0	0	111.3	M93 S97 Q98 E99 A105	M93-Q101 HydrophobicContact CG-CG 3.52Å; M93-Q101 HydrophobicContact SD-CG 4.24Å; S97-Q101 PolarHBondContact O-N 2.92Å; Q98-Q101 WeakPolarHBondContact O-CB 3.45Å; E99-Q101 VanDerWaalsContact C-N 3.29Å; E99-Q101 PolarHBondContact O-N 2.87Å; Q101-A105 WeakPolarHBondContact O-CB 3.44Å; Q101-A105 PolarHBondContact O-N 3.32Å
102	Q	75.7	Confident	74.3	Confident	135 Å²	135	95.3 Å²	95.3	63%	0.631	49%	0.487	S	S	*	.	H	α-helix	trans	-71.7	-36.8	178.8	-159.3	168.4	21.4	0	0	112.1	Q98 E99 H100 A105 Q106	Q98-Q102 PolarHBondContact O-N 2.88Å; E99-Q102 PolarHBondContact O-N 3.37Å; H100-Q102 VanDerWaalsContact C-N 3.31Å; H100-Q102 PolarHBondContact O-N 3.13Å; Q102-A105 PolarHBondContact O-N 2.83Å; Q102-Q106 WeakPolarHBondContact O-CG 3.43Å; Q102-Q106 PolarHBondContact O-N 3.45Å; Q102-Q106 VanDerWaalsContact O-N 3.1Å
103	Q	76.1	Confident	73.8	Confident	128 Å²	128	97.2 Å²	97.2	60%	0.598	49%	0.494	S	S	*	.	H	α-helix	trans	-65.1	-43.2	175	-165.7	-178.1	30.3	0	0	112.4	E99 H100 Q106 A107	E99-Q103 PolarHBondContact O-N 2.92Å; E99-Q103 VanDerWaalsContact O-N 3.13Å; H100-Q103 PolarHBondContact O-N 2.87Å; Q103-Q106 PolarHBondContact O-N 2.9Å; Q103-A107 WeakPolarHBondContact O-CB 3.23Å; Q103-A107 PolarHBondContact O-N 2.9Å
104	V	75	Confident	73.5	Confident	45 Å²	45	98.8 Å²	98.8	27%	0.273	51%	0.506	S	S	.	.	H	α-helix	trans	-66	-42.6	176.1	170.4	0	0	0	0	110.9	M93 H100 Q106 A107 V108	M93-V104 HydrophobicContact CE-CG1 4.41Å; H100-V104 WeakPolarHBondContact O-CB 3.32Å; H100-V104 VanDerWaalsContact O-CG2 3.31Å; H100-V104 WeakPolarHBondContact O-CG2 3.28Å; H100-V104 PolarHBondContact O-N 3.05Å; V104-Q106 VanDerWaalsContact C-N 3.35Å; V104-Q106 PolarHBondContact O-N 3.43Å; V104-A107 PolarHBondContact O-N 2.89Å; V104-A107 VanDerWaalsContact O-N 3.15Å; V104-V108 HydrophobicContact CG1-CG2 4.33Å; V104-V108 WeakPolarHBondContact O-CG2 3.11Å; V104-V108 PolarHBondContact O-N 2.81Å
105	A	76.4	Confident	73.1	Confident	42 Å²	42	97.3 Å²	97.3	35%	0.347	50%	0.495	S	S	.	.	H	α-helix	trans	-58.9	-44.3	175.8	0	0	0	0	0	112.2	M93 Q101 Q102 A107 V108 E109	M93-A105 HydrophobicContact CE-CB 4.43Å; Q101-A105 WeakPolarHBondContact O-CB 3.44Å; Q101-A105 PolarHBondContact O-N 3.32Å; Q102-A105 PolarHBondContact O-N 2.83Å; A105-A107 PolarHBondContact O-N 2.97Å; A105-V108 PolarHBondContact O-N 3.19Å; A105-E109 PolarHBondContact O-N 2.89Å
106	Q	78	Confident	72.1	Confident	112 Å²	112	95.4 Å²	95.4	52%	0.523	49%	0.49	S	S	.	.	H	α-helix	trans	-66.3	-34.3	174.6	-71.2	-178.2	8.4	0	0	113.2	Q102 Q103 V104 R110	Q102-Q106 WeakPolarHBondContact O-CG 3.43Å; Q102-Q106 PolarHBondContact O-N 3.45Å; Q102-Q106 VanDerWaalsContact O-N 3.1Å; Q103-Q106 PolarHBondContact O-N 2.9Å; V104-Q106 VanDerWaalsContact C-N 3.35Å; V104-Q106 PolarHBondContact O-N 3.43Å; Q106-R110 WeakPolarHBondContact O-CB 3.5Å; Q106-R110 PolarHBondContact O-N 2.69Å
107	A	73.8	Confident	71.9	Confident	50 Å²	50	97.3 Å²	97.3	41%	0.413	51%	0.505	S	S	.	.	H	α-helix	trans	-68	-42.6	175.5	0	0	0	0	0	112	Q103 V104 A105 R110 A111	Q103-A107 WeakPolarHBondContact O-CB 3.23Å; Q103-A107 PolarHBondContact O-N 2.9Å; V104-A107 PolarHBondContact O-N 2.89Å; V104-A107 VanDerWaalsContact O-N 3.15Å; A105-A107 PolarHBondContact O-N 2.97Å; A107-R110 PolarHBondContact O-N 2.88Å; A107-A111 WeakPolarHBondContact O-CB 3.28Å; A107-A111 PolarHBondContact O-N 3.32Å
108	V	76.4	Confident	71.5	Confident	28 Å²	28	98.3 Å²	98.3	17%	0.17	50%	0.502	C	S	.	.	H	α-helix	trans	-64	-43.1	175.4	169.4	0	0	0	0	111.3	L89 V104 A105 A111 K112	L89-V108 HydrophobicContact CD1-CG2 3.98Å; V104-V108 HydrophobicContact CG1-CG2 4.33Å; V104-V108 WeakPolarHBondContact O-CG2 3.11Å; V104-V108 PolarHBondContact O-N 2.81Å; A105-V108 PolarHBondContact O-N 3.19Å; V108-A111 PolarHBondContact O-N 3.26Å; V108-K112 PolarHBondContact O-N 3.47Å
109	E	78.8	Confident	71	Confident	78 Å²	78	93.9 Å²	93.9	36%	0.364	48%	0.483	S	S	.	.	H	α-helix	trans	-67.8	-39.9	179.3	-162.1	55.7	-138.2	0	0	112	A105 A111 K112 Q113	A105-E109 PolarHBondContact O-N 2.89Å; E109-A111 VanDerWaalsContact C-N 3.29Å; E109-A111 PolarHBondContact O-N 2.93Å; E109-K112 PolarHBondContact O-N 3Å; E109-K112 VanDerWaalsContact O-N 3.16Å; E109-K112 WeakPolarHBondContact OE2-CE 3.41Å; E109-K112 IonicContact OE2-NZ 2.67Å; E109-K112 PolarHBondContact OE2-NZ 3.05Å; E109-Q113 WeakPolarHBondContact O-CG 3.48Å; E109-Q113 PolarHBondContact OE1-NE2 2.69Å; E109-Q113 VanDerWaalsContact OE1-NE2 3.17Å
110	R	76.1	Confident	70.6	Confident	158 Å²	158	91.4 Å²	91.4	60%	0.596	48%	0.475	S	S	*	.	H	α-helix	trans	-59.8	-39.4	170.9	-169.9	-177.6	-63.1	100.3	0.8	111.9	Q106 A107 K112 Q113	Q106-R110 WeakPolarHBondContact O-CB 3.5Å; Q106-R110 PolarHBondContact O-N 2.69Å; A107-R110 PolarHBondContact O-N 2.88Å; R110-K112 PolarHBondContact O-N 3.2Å; R110-Q113 PolarHBondContact O-N 3.37Å
111	A	68.1	Low	70.5	Confident	72 Å²	72	90 Å²	90	60%	0.595	48%	0.479	S	S	*	.	H	α-helix	trans	-68.7	-16.9	178.1	0	0	0	0	0	114.3	A107 V108 E109	A107-A111 WeakPolarHBondContact O-CB 3.28Å; A107-A111 PolarHBondContact O-N 3.32Å; V108-A111 PolarHBondContact O-N 3.26Å; E109-A111 VanDerWaalsContact C-N 3.29Å; E109-A111 PolarHBondContact O-N 2.93Å
112	K	70.8	Confident	69.9	Low	125 Å²	125	91.6 Å²	91.6	54%	0.543	49%	0.489	S	S	.	.	H	α-helix	trans	-81.2	-21	169.5	-63.5	173.2	-165.4	164.3	0	113	V108 E109 R110	V108-K112 PolarHBondContact O-N 3.47Å; E109-K112 PolarHBondContact O-N 3Å; E109-K112 VanDerWaalsContact O-N 3.16Å; E109-K112 WeakPolarHBondContact OE2-CE 3.41Å; E109-K112 IonicContact OE2-NZ 2.67Å; E109-K112 PolarHBondContact OE2-NZ 3.05Å; R110-K112 PolarHBondContact O-N 3.2Å
113	Q	65.6	Low	69.4	Low	127 Å²	127	90.2 Å²	90.2	59%	0.593	49%	0.485	S	S	*	.			trans	-110.2	36.2	-167.8	-60.9	-179.2	17.4	0	0	112.2	E109 R110 T115	E109-Q113 WeakPolarHBondContact O-CG 3.48Å; E109-Q113 PolarHBondContact OE1-NE2 2.69Å; E109-Q113 VanDerWaalsContact OE1-NE2 3.17Å; R110-Q113 PolarHBondContact O-N 3.37Å; Q113-T115 PolarHBondContact O-N 2.94Å
114	V	67.5	Low	68.3	Low	81 Å²	81	87.2 Å²	87.2	49%	0.491	49%	0.488	S	S	.	.			trans	-61	119.5	179.5	-179.5	0	0	0	0	110.4	E118	V114-E118 HydrophobicContact CG1-CB 4.2Å
115	T	67.3	Low	67.2	Low	62 Å²	62	91 Å²	91	38%	0.38	51%	0.511	S	S	.	.			trans	-80.8	155.1	179.9	65.2	0	0	0	0	111.8	Q113 T117 E118 L119	Q113-T115 PolarHBondContact O-N 2.94Å; T115-T117 WeakPolarHBondContact CB-OG1 3.49Å; T115-T117 PolarHBondContact O-N 2.93Å; T115-T117 PolarHBondContact OG1-OG1 2.89Å; T115-E118 WeakPolarHBondContact CB-OE2 3.5Å; T115-E118 WeakPolarHBondContact CG2-OE2 3.49Å; T115-E118 PolarHBondContact N-OE2 2.99Å; T115-E118 PolarHBondContact O-N 3.2Å; T115-E118 WeakPolarHBondContact OG1-CG 3.46Å; T115-E118 PolarHBondContact OG1-N 2.87Å; T115-E118 PolarHBondContact OG1-OE2 3.48Å; T115-L119 PolarHBondContact O-N 2.88Å
116	M	53.8	Low	65.8	Low	139 Å²	139	99.5 Å²	99.5	69%	0.685	53%	0.534	S	S	*	.	H	α-helix	trans	-59.5	-27.5	174.7	-74.4	-68	163.2	0	0	112.8	L119 N120	M116-L119 HydrophobicContact CE-CD2 4.25Å; M116-L119 HydrophobicContact SD-CD2 3.71Å; M116-N120 WeakPolarHBondContact O-CB 3.44Å; M116-N120 VanDerWaalsContact O-CG 3.26Å; M116-N120 PolarHBondContact O-N 3.42Å; M116-N120 PolarHBondContact O-ND2 3.27Å
117	T	68.6	Low	64.6	Low	108 Å²	108	97.7 Å²	97.7	66%	0.663	55%	0.545	S	S	*	.	H	α-helix	trans	-63.5	-42.9	171.1	23	0	0	0	0	112.9	T115 A121	T115-T117 WeakPolarHBondContact CB-OG1 3.49Å; T115-T117 PolarHBondContact O-N 2.93Å; T115-T117 PolarHBondContact OG1-OG1 2.89Å; T117-A121 PolarHBondContact O-N 2.87Å
118	E	65.6	Low	62.7	Low	89 Å²	89	103.2 Å²	103.2	42%	0.416	57%	0.567	S	S	.	*	H	α-helix	trans	-74.2	-38.3	176.6	-68.1	159.1	123.4	0	0	111.5	V114 T115 N120 A121 I122	V114-E118 HydrophobicContact CG1-CB 4.2Å; T115-E118 WeakPolarHBondContact CB-OE2 3.5Å; T115-E118 WeakPolarHBondContact CG2-OE2 3.49Å; T115-E118 PolarHBondContact N-OE2 2.99Å; T115-E118 PolarHBondContact O-N 3.2Å; T115-E118 WeakPolarHBondContact OG1-CG 3.46Å; T115-E118 PolarHBondContact OG1-N 2.87Å; T115-E118 PolarHBondContact OG1-OE2 3.48Å; E118-N120 PolarHBondContact O-N 2.78Å; E118-A121 WeakPolarHBondContact O-CB 3.35Å; E118-A121 PolarHBondContact O-N 2.8Å; E118-I122 WeakPolarHBondContact O-CG1 3.36Å; E118-I122 PolarHBondContact O-N 2.88Å
119	L	61.4	Low	61.5	Low	72 Å²	72	106.9 Å²	106.9	38%	0.377	59%	0.591	S	S	.	*	H	α-helix	trans	-58.8	-47	175	-170.3	71	0	0	0	111.4	T115 M116 A121 I122 I123	T115-L119 PolarHBondContact O-N 2.88Å; M116-L119 HydrophobicContact CE-CD2 4.25Å; M116-L119 HydrophobicContact SD-CD2 3.71Å; L119-A121 VanDerWaalsContact C-N 3.32Å; L119-A121 PolarHBondContact O-N 2.95Å; L119-I122 PolarHBondContact O-N 3.03Å; L119-I123 HydrophobicContact CG-CD1 4.09Å; L119-I123 VanDerWaalsContact O-CG1 3.31Å; L119-I123 WeakPolarHBondContact O-CG1 3.39Å; L119-I123 PolarHBondContact O-N 3.2Å
120	N	65.3	Low	59.7	Low	105 Å²	105	110.2 Å²	110.2	56%	0.561	61%	0.612	S	S	*	*	H	α-helix	trans	-63.8	-35.1	176.1	-75.8	-34.7	0	0	0	112.5	M116 E118 G124	M116-N120 WeakPolarHBondContact O-CB 3.44Å; M116-N120 VanDerWaalsContact O-CG 3.26Å; M116-N120 PolarHBondContact O-N 3.42Å; M116-N120 PolarHBondContact O-ND2 3.27Å; E118-N120 PolarHBondContact O-N 2.78Å; N120-G124 PolarHBondContact O-N 2.82Å
121	A	66.8	Low	57.7	Low	59 Å²	59	110.9 Å²	110.9	49%	0.488	63%	0.626	S	S	.	*	H	α-helix	trans	-66.5	-42.3	174	0	0	0	0	0	112.1	T117 E118 L119 G124 V125	T117-A121 PolarHBondContact O-N 2.87Å; E118-A121 WeakPolarHBondContact O-CB 3.35Å; E118-A121 PolarHBondContact O-N 2.8Å; L119-A121 VanDerWaalsContact C-N 3.32Å; L119-A121 PolarHBondContact O-N 2.95Å; A121-G124 PolarHBondContact O-N 2.89Å; A121-V125 WeakPolarHBondContact O-CG2 3.41Å; A121-V125 PolarHBondContact O-N 2.79Å; A121-V125 VanDerWaalsContact O-N 3.15Å
122	I	61.3	Low	56.2	Low	109 Å²	109	112.3 Å²	112.3	56%	0.559	63%	0.629	S	S	*	*	H	α-helix	trans	-64.3	-41.7	176.9	-67.9	162.7	0	0	0	111.1	E118 L119 V125	E118-I122 WeakPolarHBondContact O-CG1 3.36Å; E118-I122 PolarHBondContact O-N 2.88Å; L119-I122 PolarHBondContact O-N 3.03Å; I122-V125 PolarHBondContact O-N 2.94Å
123	I	63.7	Low	54.9	Low	106 Å²	106	114 Å²	114	54%	0.544	64%	0.644	S	S	.	*	H	α-helix	trans	-63.5	-45.6	174.9	-68.3	165.9	0	0	0	110.4	L119 V125 R126	L119-I123 HydrophobicContact CG-CD1 4.09Å; L119-I123 VanDerWaalsContact O-CG1 3.31Å; L119-I123 WeakPolarHBondContact O-CG1 3.39Å; L119-I123 PolarHBondContact O-N 3.2Å; I123-V125 PolarHBondContact O-N 2.96Å; I123-R126 PolarHBondContact O-N 2.92Å; I123-R126 VanDerWaalsContact O-N 3.17Å
124	G	53.8	Low	53.9	Low	64 Å²	64	113.8 Å²	113.8	66%	0.66	65%	0.651	S	S	*	*	H	α-helix	trans	-63.4	-22.8	179.3	0	0	0	0	0	115.2	N120 A121	N120-G124 PolarHBondContact O-N 2.82Å; A121-G124 PolarHBondContact O-N 2.89Å
125	V	52.2	Low	52.6	Low	126 Å²	126	119.4 Å²	119.4	76%	0.764	67%	0.672	S	S	*	*	H	α-helix	trans	-82.6	-22.8	176.9	170.3	0	0	0	0	112.6	A121 I122 I123 G127	A121-V125 WeakPolarHBondContact O-CG2 3.41Å; A121-V125 PolarHBondContact O-N 2.79Å; A121-V125 VanDerWaalsContact O-N 3.15Å; I122-V125 PolarHBondContact O-N 2.94Å; I123-V125 PolarHBondContact O-N 2.96Å; V125-G127 PolarHBondContact O-N 3.44Å
126	R	46.3	Very low	51.3	Low	220 Å²	220	125.3 Å²	125.3	83%	0.83	70%	0.695	S	S	*	*	S	Bend	trans	-91.6	75.4	174.2	-90.2	-171.7	167.8	-178	-2.3	111.7	I123 L128	I123-R126 PolarHBondContact O-N 2.92Å; I123-R126 VanDerWaalsContact O-N 3.17Å; R126-L128 PolarHBondContact O-N 2.73Å; R126-L128 VanDerWaalsContact O-N 3.11Å
127	G	52.6	Low	50.5	Low	73 Å²	73	127.4 Å²	127.4	75%	0.753	70%	0.703	S	S	*	*			trans	-64	107.6	175.1	0	0	0	0	0	113.6	V125	V125-G127 PolarHBondContact O-N 3.44Å
128	L	35.1	Very low	49.1	Very low	167 Å²	167	130.7 Å²	130.7	87%	0.874	72%	0.716	S	S	*	*			trans	-138.1	145.1	159.6	-91.4	169.4	0	0	0	109.1	R126	R126-L128 PolarHBondContact O-N 2.73Å; R126-L128 VanDerWaalsContact O-N 3.11Å
129	P	50	Low	47.7	Very low	104 Å²	104	136 Å²	136	68%	0.675	74%	0.741	S	S	*	*			trans	-93.3	167.5	-168	36.8	-37.1	0	0	0	114.9
130	N	41.3	Very low	46.6	Very low	149 Å²	149	137.1 Å²	137.1	80%	0.797	76%	0.76	S	S	*	*			trans	69.5	92.7	161.3	-62.4	-9.1	0	0	0	119.3
131	L	34.8	Very low	45.1	Very low	171 Å²	171	141 Å²	141	90%	0.895	78%	0.775	S	S	*	*				-136.9	150.3	129.6	-95.7	113.6	0	0	0	109.4
132	P	36.5	Very low	43.3	Very low	103 Å²	103	146.7 Å²	146.7	67%	0.669	79%	0.791	S	S	*	*			trans	-79.9	131.6	-166.2	30.4	-35	0	0	0	113.9	T134	P132-T134 HydrophobicContact CB-CG2 4.44Å; P132-T134 PolarHBondContact O-N 3.23Å
133	L	44.3	Very low	41.9	Very low	161 Å²	161	149.7 Å²	149.7	84%	0.843	81%	0.807	S	S	*	*			trans	-90.1	63.6	-176.5	-161.7	106.1	0	0	0	112.6
134	T	43.1	Very low	40.2	Very low	122 Å²	122	150 Å²	150	75%	0.748	82%	0.819	S	S	*	*			trans	-117.9	48.9	-166.9	54.3	0	0	0	0	115.9	P132	P132-T134 HydrophobicContact CB-CG2 4.44Å; P132-T134 PolarHBondContact O-N 3.23Å
135	Q	40.3	Very low	38.9	Very low	198 Å²	198	156.7 Å²	156.7	93%	0.925	83%	0.833	S	S	*	*	S	Bend	trans	-149.8	27.3	161.3	-141	177.9	13.5	0	0	117
136	Q	41.6	Very low	37.8	Very low	187 Å²	187	154.6 Å²	154.6	87%	0.874	83%	0.829	S	S	*	*	S	Bend	trans	-131.5	31.9	177.3	-149.4	-179	12.5	0	0	114.9
137	Q	36.6	Very low	37	Very low	183 Å²	183	149.6 Å²	149.6	86%	0.855	82%	0.823	S	S	*	*	S	Bend	trans	-141.5	32.4	-176.2	-152.2	168.8	-2.7	0	0	115.5
138	L	38.4	Very low	36	Very low	177 Å²	177	155.2 Å²	155.2	93%	0.927	83%	0.829	S	S	*	*	S	Bend	trans	-130.9	14.3	179.6	-110	169.8	0	0	0	115.9
139	Q	37.1	Very low	35.6	Very low	201 Å²	201	150.4 Å²	150.4	94%	0.939	82%	0.82	S	S	*	*	S	Bend	trans	-128.5	10.9	179.9	-99.6	172.9	-25.8	0	0	114.8
140	A	38.1	Very low	35	Very low	95 Å²	95	151.5 Å²	151.5	79%	0.785	83%	0.827	S	S	*	*			trans	-126	29.1	-173.7	0	0	0	0	0	114.5
141	Q	33.8	Very low	35.3	Very low	187 Å²	187	149.4 Å²	149.4	87%	0.874	82%	0.821	S	S	*	*			trans	-132.1	79.1	169.5	-81.1	-160.3	-13.6	0	0	112.6
142	H	29.5	Very low	35.1	Very low	178 Å²	178	146.9 Å²	146.9	82%	0.824	81%	0.813	S	S	*	*	S	Bend	trans	-164.4	140	141	-113.3	-83	0	0	0	107.4
143	L	30.3	Very low	34.6	Very low	171 Å²	171	149.3 Å²	149.3	90%	0.895	82%	0.816	S	S	*	*	S	Bend	trans	70.5	118	-161.9	-47.7	156.5	0	0	0	111.4
144	S	28.3	Very low	33.7	Very low	114 Å²	114	148.7 Å²	148.7	80%	0.797	81%	0.812	S	S	*	*			cis	-156.7	143.1	-5.6	49.3	0	0	0	0	111.2
145	H	27	Very low	33.4	Very low	203 Å²	203	148.1 Å²	148.1	94%	0.94	81%	0.811	S	S	*	*			trans	-69.9	132.3	169.5	-89.1	-105.3	0	0	0	111.7
146	A	28.9	Very low	33.4	Very low	83 Å²	83	143.3 Å²	143.3	69%	0.686	80%	0.797	S	S	*	*			trans	-162.9	113.9	148.7	0	0	0	0	0	112.9
147	T	29.2	Very low	32.7	Very low	114 Å²	114	143.2 Å²	143.2	70%	0.699	80%	0.796	S	S	*	*			trans	42.4	116.9	140.9	54.9	0	0	0	0	122.6
148	H	31.3	Very low	32.9	Very low	191 Å²	191	139.6 Å²	139.6	88%	0.884	79%	0.788	S	S	*	*			trans	48.1	148.7	139.3	-46	-67.2	0	0	0	120.9
149	G	27.3	Very low	32.3	Very low	67 Å²	67	137 Å²	137	69%	0.691	79%	0.785	S	S	*	*			cis	171.4	148.6	-1.3	0	0	0	0	0	109.5
150	P	38.3	Very low	31.8	Very low	126 Å²	126	131.1 Å²	131.1	82%	0.818	78%	0.778	S	S	*	*			trans	-98.2	-164.3	-171.8	44.9	-40.7	0	0	0	111.4
151	P	47.6	Very low	31.4	Very low	105 Å²	105	135.2 Å²	135.2	68%	0.682	79%	0.786	S	S	*	*			cis	-143.4	-166.3	2.1	37.2	-13.1	0	0	0	116.3
152	V	29.7	Very low	31.1	Very low	119 Å²	119	135.1 Å²	135.1	72%	0.721	79%	0.786	S	S	*	*			trans	68.5	143.7	136.4	148.8	0	0	0	0	119.1
153	Q	25	Very low	31.7	Very low	154 Å²	154	131.7 Å²	131.7	72%	0.72	78%	0.779	S	S	*	*			cis	-164.3	156.7	-1.1	-114.6	174.3	7.7	0	0	114.1
154	L	26.6	Very low	32.2	Very low	148 Å²	148	130 Å²	130	78%	0.775	78%	0.778	S	S	*	*			trans	71.7	156.6	142	-69.2	167.6	0	0	0	124.5
155	P	35.8	Very low	32.1	Very low	110 Å²	110	127.9 Å²	127.9	71%	0.714	78%	0.775	S	S	*	*			trans	-112.5	-152.9	-174.6	48.8	-37.7	0	0	0	111.5
156	P	41.7	Very low	32.2	Very low	97 Å²	97	126.4 Å²	126.4	63%	0.63	77%	0.772	S	S	*	*			cis	-139.7	154.1	-6.6	38.8	-19.3	0	0	0	119.1
157	H	25.7	Very low	32.8	Very low	184 Å²	184	127.8 Å²	127.8	85%	0.852	77%	0.774	S	S	*	*			trans	55.4	168.2	146.7	-71.7	-52.3	0	0	0	121.2
158	P	41.2	Very low	33.6	Very low	108 Å²	108	127.3 Å²	127.3	70%	0.701	77%	0.773	S	S	*	*			cis	-126.5	-178.8	-2.1	42.4	-27.9	0	0	0	116.2
159	S	27.2	Very low	33.4	Very low	123 Å²	123	123.9 Å²	123.9	86%	0.86	77%	0.765	S	S	*	*			trans	71.2	119.1	153.5	-58.3	0	0	0	0	121.4
160	G	25.5	Very low	33.3	Very low	77 Å²	77	127.5 Å²	127.5	79%	0.794	77%	0.774	S	S	*	*			trans	161.1	76.2	162.9	0	0	0	0	0	118.5
161	L	29.3	Very low	32.7	Very low	181 Å²	181	125.2 Å²	125.2	95%	0.948	77%	0.773	S	S	*	*			trans	29.8	134.1	154.2	-65.5	166.5	0	0	0	123.3
162	Q	26.9	Very low	31.8	Very low	185 Å²	185	126.6 Å²	126.6	86%	0.864	79%	0.785	S	S	*	*			trans	-85.2	-179.9	163.5	-108.5	-172.8	-9.5	0	0	112.4
163	P	44.1	Very low	31.8	Very low	106 Å²	106	126.7 Å²	126.7	69%	0.688	79%	0.791	S	S	*	*			cis	-127.7	176.7	-26.5	39.6	-24.6	0	0	0	112
164	P	39.2	Very low	32.2	Very low	134 Å²	134	125.6 Å²	125.6	87%	0.87	80%	0.801	S	S	*	*				-156.4	-176.9	98.1	40.7	-21.5	0	0	0	115.4
165	G	26.8	Very low	32.3	Very low	71 Å²	71	122.4 Å²	122.4	73%	0.732	80%	0.804	S	S	*	*			trans	177.8	142.2	166.7	0	0	0	0	0	115.1
166	I	29.6	Very low	32.2	Very low	171 Å²	171	124.8 Å²	124.8	88%	0.877	81%	0.81	S	S	*	*			trans	-138.6	-168.2	175.6	-14.7	178.8	0	0	0	110.1
167	P	40.6	Very low	31.6	Very low	112 Å²	112	128 Å²	128	73%	0.727	82%	0.821	S	S	*	*			trans	-100.3	-156.3	-143.6	45.9	-30.5	0	0	0	112.4
168	P	45.8	Very low	31.8	Very low	104 Å²	104	123.7 Å²	123.7	68%	0.675	82%	0.816	S	S	*	*			cis	-144.2	-158.5	2.4	38.9	-14.2	0	0	0	117.2
169	V	26.9	Very low	31.2	Very low	120 Å²	120	127.1 Å²	127.1	73%	0.727	83%	0.828	S	S	*	*			trans	80.6	123.6	153.9	-70	0	0	0	0	124.5
170	T	25.4	Very low	31.2	Very low	142 Å²	142	125.3 Å²	125.3	87%	0.871	83%	0.828	S	S	*	*			trans	61.5	125	142.2	55.4	0	0	0	0	122.2
171	G	27	Very low	31.5	Very low	78 Å²	78	126 Å²	126	80%	0.804	83%	0.826	S	S	*	*			trans	165.2	124	159.8	0	0	0	0	0	112.4
172	S	28.7	Very low	31.4	Very low	134 Å²	134	125.4 Å²	125.4	94%	0.937	82%	0.824	S	S	*	*			trans	-91	132.3	-175.5	-56.1	0	0	0	0	113.4
173	S	28.4	Very low	31.4	Very low	122 Å²	122	119.8 Å²	119.8	85%	0.853	82%	0.815	S	S	*	*			trans	-153.4	154	155.6	59.7	0	0	0	0	110.7
174	S	33.6	Very low	30.6	Very low	131 Å²	131	120.8 Å²	120.8	92%	0.916	83%	0.825	S	S	*	*			trans	-82.9	139.1	-170	-52.5	0	0	0	0	113.2
175	G	28.3	Very low	30	Very low	81 Å²	81	123.6 Å²	123.6	84%	0.835	83%	0.826	S	S	*	*			trans	-128.5	141.7	168	0	0	0	0	0	110.7
176	L	34.2	Very low	29.9	Very low	160 Å²	160	124.2 Å²	124.2	84%	0.838	82%	0.824	S	S	*	*			trans	-103.5	144.6	-174	-108.9	171	0	0	0	111.6
177	L	29.6	Very low	29.6	Very low	165 Å²	165	125 Å²	125	86%	0.864	82%	0.824	S	S	*	*			trans	68.1	152.7	168.4	-51.2	167.6	0	0	0	114.5
178	A	29.9	Very low	28.7	Very low	92 Å²	92	126.8 Å²	126.8	76%	0.76	83%	0.826	S	S	*	*			cis	-145.4	166.8	17.4	0	0	0	0	0	113.6
179	L	28.4	Very low	27.5	Very low	181 Å²	181	128.2 Å²	128.2	95%	0.948	83%	0.834	S	S	*	*			trans	-74	129.2	164.8	-114.4	70.5	0	0	0	110.4
180	G	27.8	Very low	27.4	Very low	84 Å²	84	128.8 Å²	128.8	87%	0.866	84%	0.837	S	S	*	*			trans	-94.2	112.4	170.1	0	0	0	0	0	112.1
181	A	30.3	Very low	27.3	Very low	91 Å²	91	129.4 Å²	129.4	75%	0.752	83%	0.828	S	S	*	*			trans	-116.9	159.6	163.6	0	0	0	0	0	108.2
182	L	28.6	Very low	27.2	Very low	170 Å²	170	131.4 Å²	131.4	89%	0.89	82%	0.82	S	S	*	*			cis	-155.8	143.4	7.7	-168.7	76.1	0	0	0	109.7
183	G	26.6	Very low	27	Very low	66 Å²	66	132.3 Å²	132.3	68%	0.68	81%	0.809	S	S	*	*			trans	53.6	146.5	142.5	0	0	0	0	0	123.5
184	S	26.3	Very low	26.9	Very low	128 Å²	128	135.3 Å²	135.3	90%	0.895	81%	0.807	S	S	*	*				-165.7	147.9	128	-84	0	0	0	0	112.7
185	Q	26.3	Very low	26.4	Very low	193 Å²	193	134.5 Å²	134.5	90%	0.902	79%	0.792	S	S	*	*			trans	-79.2	170.6	166.5	-78.1	-175.6	-15.5	0	0	110.9
186	A	26.5	Very low	26.4	Very low	84 Å²	84	137 Å²	137	69%	0.694	78%	0.782	S	S	*	*			cis	-175	149	-31.3	0	0	0	0	0	108
187	H	22	Very low	26.1	Very low	188 Å²	188	136.5 Å²	136.5	87%	0.87	78%	0.775	S	S	*	*			trans	-156.2	156.9	151.2	-140.3	-97.2	0	0	0	113
188	L	22.2	Very low	25.8	Very low	148 Å²	148	135.6 Å²	135.6	78%	0.775	77%	0.766	S	S	*	*			trans	-90.5	148.9	-173.6	-68.6	152.7	0	0	0	112.8
189	T	20.8	Very low	25.7	Very low	135 Å²	135	138 Å²	138	83%	0.828	77%	0.766	S	S	*	*				-179.4	158.7	127.9	24.5	0	0	0	0	112.4
190	V	24	Very low	25.6	Very low	131 Å²	131	135.6 Å²	135.6	79%	0.794	75%	0.754	S	S	*	*			trans	64.2	104.3	172.1	-163.2	0	0	0	0	115.4
191	K	23.7	Very low	25.6	Very low	156 Å²	156	137.8 Å²	137.8	68%	0.678	74%	0.741	S	S	*	*				72.9	97.5	55.1	-169.9	-151.2	-177.1	-68.6	0	114.1
192	D	24.8	Very low	25.5	Very low	120 Å²	120	142.5 Å²	142.5	64%	0.642	74%	0.74	S	S	*	*				-172.9	174.5	108.1	-107.5	-39.7	0	0	0	116.2
193	E	24.1	Very low	25.4	Very low	152 Å²	152	140.7 Å²	140.7	71%	0.71	73%	0.726	S	S	*	*			trans	-61.1	146.6	-166.2	-52.3	169.3	90.2	0	0	118.2
194	K	26.7	Very low	25.3	Very low	185 Å²	185	146.3 Å²	146.3	80%	0.804	73%	0.727	S	S	*	*				-172.2	134.2	98.7	-106.4	175.1	178.9	171.6	0	116.1
195	N	24.2	Very low	25.2	Very low	114 Å²	114	147.5 Å²	147.5	61%	0.61	72%	0.719	S	S	*	*			trans	18.3	143.9	130.1	-64.9	10.2	0	0	0	119.9
196	H	28.4	Very low	25.1	Very low	133 Å²	133	143.7 Å²	143.7	62%	0.616	71%	0.713	S	S	*	*			cis	-162.9	142.5	6.4	-117.2	-56.1	0	0	0	109.7
197	H	26.3	Very low	25	Very low	150 Å²	150	144.6 Å²	144.6	69%	0.694	72%	0.715	S	S	*	*			trans	55.9	157.8	136.3	-70.1	4.5	0	0	0	121
198	E	24.3	Very low	25.2	Very low	147 Å²	147	139.6 Å²	139.6	69%	0.687	71%	0.706	S	S	*	*			cis	-154.4	169.7	7.2	-133.4	173.9	121.5	0	0	111.8
199	L	28.4	Very low	25.3	Very low	143 Å²	143	139.4 Å²	139.4	75%	0.749	71%	0.706	S	S	*	*			trans	40.5	113.1	160.5	-51	179	0	0	0	118.8
200	D	24.6	Very low	25.5	Very low	130 Å²	130	140.3 Å²	140.3	70%	0.695	71%	0.705	S	S	*	*			cis	78.5	144.6	33.7	-157.1	15.4	0	0	0	116.2
201	H	29.2	Very low	25.6	Very low	130 Å²	130	139.4 Å²	139.4	60%	0.602	71%	0.705	S	S	*	*			trans	72.7	148.8	164.2	-83.2	28.5	0	0	0	119.9
202	R	27.6	Very low	25.6	Very low	190 Å²	190	138.8 Å²	138.8	72%	0.717	71%	0.714	S	S	*	*			cis	-174.6	-172.1	-23	-150.8	176.9	-173.6	152.6	-4.4	109.1
203	E	25.7	Very low	25.8	Very low	131 Å²	131	138 Å²	138	61%	0.612	72%	0.718	S	S	*	*			trans	78.9	147.7	154.1	-58.9	-108.9	125.6	0	0	117.2
204	R	25.4	Very low	26.2	Very low	184 Å²	184	136.6 Å²	136.6	69%	0.694	72%	0.722	S	S	*	*			cis	-159.3	160.9	-15.5	166.5	176.8	-73.5	-95.6	0.9	111
205	E	23.3	Very low	26	Very low	153 Å²	153	132.9 Å²	132.9	72%	0.715	72%	0.719	S	S	*	*			trans	-71.9	-179.8	-171.6	-48.3	145.7	106	0	0	117.5
206	S	25.1	Very low	26	Very low	113 Å²	113	137 Å²	137	79%	0.79	74%	0.735	S	S	*	*			trans	82.2	158.9	154.8	90.6	0	0	0	0	116.6
207	S	24.1	Very low	25.9	Very low	104 Å²	104	135.3 Å²	135.3	73%	0.727	74%	0.738	S	S	*	*			cis	-141.5	134.8	5.2	-77.4	0	0	0	0	108.5
208	A	25.9	Very low	25.8	Very low	83 Å²	83	135.2 Å²	135.2	69%	0.686	74%	0.742	S	S	*	*				77.1	116	72.8	0	0	0	0	0	116.8
209	N	25.1	Very low	25.9	Very low	143 Å²	143	139.6 Å²	139.6	77%	0.765	75%	0.752	S	S	*	*			trans	83.3	129.8	140.6	-67.2	-0.2	0	0	0	124.6
210	N	24.6	Very low	25.7	Very low	154 Å²	154	137.1 Å²	137.1	82%	0.824	75%	0.752	S	S	*	*			trans	85	142.1	136.3	-67.3	1.2	0	0	0	122.3
211	S	26.8	Very low	25.7	Very low	113 Å²	113	136.1 Å²	136.1	79%	0.79	76%	0.756	S	S	*	*			trans	-115.3	166.2	175.1	54.9	0	0	0	0	110.9
212	V	23.4	Very low	25.4	Very low	143 Å²	143	136.6 Å²	136.6	87%	0.867	76%	0.758	S	S	*	*			trans	-166.1	145.7	142.7	134	0	0	0	0	108.9
213	S	28.8	Very low	25.4	Very low	104 Å²	104	134.7 Å²	134.7	73%	0.727	76%	0.755	S	S	*	*			trans	-88.9	168.9	-175.3	-45.2	0	0	0	0	113.4
214	P	31.4	Very low	25.4	Very low	122 Å²	122	134.7 Å²	134.7	79%	0.792	76%	0.755	S	S	*	*				-142.6	175.8	101.7	24	-3.4	0	0	0	113
215	S	24.3	Very low	25.3	Very low	106 Å²	106	135.9 Å²	135.9	74%	0.741	76%	0.759	S	S	*	*			cis	154.4	113.8	-21.6	-79.3	0	0	0	0	106.1
216	E	23.7	Very low	25.3	Very low	202 Å²	202	132.2 Å²	132.2	94%	0.944	76%	0.762	S	S	*	*			trans	176.9	169.8	160.6	-107.8	178.4	179.9	0	0	110.9
217	S	25.5	Very low	25.1	Very low	96 Å²	96	132.7 Å²	132.7	67%	0.671	77%	0.766	S	S	*	*				-157.9	160.9	-69.3	-164.7	0	0	0	0	111.6
218	L	25.2	Very low	25.2	Very low	149 Å²	149	131.6 Å²	131.6	78%	0.78	76%	0.763	S	S	*	*			trans	64.9	169.7	167.5	-51.9	-177.4	0	0	0	118.8
219	R	25.7	Very low	25.1	Very low	238 Å²	238	134.9 Å²	134.9	90%	0.898	77%	0.769	S	S	*	*				178.7	117.2	-60.1	-112.8	-170.7	175.9	-169.8	1.1	110.7
220	A	23.8	Very low	25	Very low	92 Å²	92	139.2 Å²	139.2	76%	0.76	78%	0.776	S	S	*	*			trans	-179.5	140.7	155.1	0	0	0	0	0	108
221	S	25	Very low	24.8	Very low	109 Å²	109	136.5 Å²	136.5	76%	0.762	77%	0.77	S	S	*	*			cis	69.8	131.5	45.8	-63.1	0	0	0	0	113.3
222	E	24.2	Very low	24.7	Very low	139 Å²	139	139.3 Å²	139.3	65%	0.65	77%	0.772	S	S	*	*			cis	-165	150.7	5.6	-123.7	-168.2	157.7	0	0	112.6
223	K	26.8	Very low	24.6	Very low	151 Å²	151	141.2 Å²	141.2	66%	0.657	77%	0.772	S	S	*	*			trans	65	163.1	153.4	-67.1	162.9	-178.1	149.4	0	117
224	H	25.8	Very low	24.5	Very low	131 Å²	131	140.2 Å²	140.2	61%	0.606	77%	0.77	S	S	*	*			cis	-151.3	178.1	7.2	-138.3	26.7	0	0	0	114.4
225	R	23.4	Very low	24.2	Very low	208 Å²	208	144.2 Å²	144.2	79%	0.785	78%	0.775	S	S	*	*			trans	-28.8	160.6	169.6	-60	159.4	167.1	150.5	-16.6	117.4
226	G	22.6	Very low	24.4	Very low	76 Å²	76	148 Å²	148	78%	0.784	78%	0.778	S	S	*	*			cis	101.8	144.1	15.2	0	0	0	0	0	112.7
227	S	21.8	Very low	24.5	Very low	124 Å²	124	150.4 Å²	150.4	87%	0.867	78%	0.778	S	S	*	*			cis	-171	172.8	3.6	-163.5	0	0	0	0	112.4
228	A	25.1	Very low	24.5	Very low	81 Å²	81	153.1 Å²	153.1	67%	0.669	78%	0.778	S	S	*	*			trans	77.4	119	159.5	0	0	0	0	0	122.5
229	D	23.8	Very low	24.7	Very low	151 Å²	151	150.8 Å²	150.8	81%	0.807	78%	0.78	S	S	*	*				34.5	132.9	125.3	-51.4	-57.8	0	0	0	124.3
230	Y	22.7	Very low	24.7	Very low	234 Å²	234	146.8 Å²	146.8	92%	0.918	77%	0.772	S	S	*	*			trans	172.6	159.2	130.6	-115.5	-113.2	0	0	0	108.4
231	S	21.8	Very low	24.8	Very low	98 Å²	98	152 Å²	152	69%	0.685	78%	0.78	S	S	*	*			cis	-164.4	163.7	-39.9	-173.4	0	0	0	0	108.3
232	M	24.5	Very low	25	Very low	171 Å²	171	155 Å²	155	84%	0.842	78%	0.779	S	S	*	*			trans	-38.8	143.5	179.9	-63.9	-90.2	-79.8	0	0	117.8
233	E	21.7	Very low	25.2	Very low	183 Å²	183	154.6 Å²	154.6	86%	0.855	78%	0.782	S	S	*	*				-157.7	169.8	112.1	-128.6	-163.3	167.9	0	0	112.9
234	A	26.5	Very low	24.8	Very low	84 Å²	84	153.7 Å²	153.7	69%	0.694	80%	0.795	S	S	*	*			trans	-134.2	154	-173.4	0	0	0	0	0	112.6
235	K	24.6	Very low	24.8	Very low	205 Å²	205	155.2 Å²	155.2	89%	0.891	81%	0.806	S	S	*	*			trans	-146.6	124.3	159.1	-121.7	149	-167.2	149.5	0	113.9
236	K	27.9	Very low	24.9	Very low	185 Å²	185	150.3 Å²	150.3	80%	0.804	80%	0.804	S	S	*	*			trans	-97.8	134.7	-177.6	173.4	-175.4	179.9	-179.4	0	109.4
237	R	26.3	Very low	25.1	Very low	254 Å²	254	158.6 Å²	158.6	96%	0.958	81%	0.812	S	S	*	*			trans	-128.8	142.2	153	-79.3	-169	171.1	-175.1	-2.4	109
238	K	26.2	Very low	25.5	Very low	153 Å²	153	162.9 Å²	162.9	67%	0.665	81%	0.81	S	S	*	*			trans	-129	137.8	178.6	-173.9	-162.6	-177.7	-162.8	0	106	E240	K238-E240 HydrophobicContact CD-CG 4.23Å; K238-E240 WeakPolarHBondContact CE-OE1 3.3Å; K238-E240 IonicContact NZ-OE1 3.85Å; K238-E240 PolarHBondContact NZ-OE1 3.09Å
239	A	27.9	Very low	25.6	Very low	99 Å²	99	165.8 Å²	165.8	82%	0.818	82%	0.815	S	S	*	*			trans	-123.7	157.4	161.8	0	0	0	0	0	107.5
240	E	27.3	Very low	25.9	Very low	155 Å²	155	163.9 Å²	163.9	72%	0.724	81%	0.813	S	S	*	*			trans	-128.7	141.4	-171.1	-60.4	176.9	136.6	0	0	109.1	K238	K238-E240 HydrophobicContact CD-CG 4.23Å; K238-E240 WeakPolarHBondContact CE-OE1 3.3Å; K238-E240 IonicContact NZ-OE1 3.85Å; K238-E240 PolarHBondContact NZ-OE1 3.09Å
241	E	24.4	Very low	26.2	Very low	200 Å²	200	160.4 Å²	160.4	94%	0.935	81%	0.81	S	S	*	*			trans	-144.1	156.4	154.9	-163	155.1	-148.6	0	0	108.5
242	K	30.1	Very low	26.6	Very low	172 Å²	172	159.3 Å²	159.3	75%	0.748	82%	0.815	S	S	*	*			trans	-146.6	136.4	-156.2	179.4	-173.8	172.6	-170.9	0	112.3
243	D	27.4	Very low	27.1	Very low	131 Å²	131	158.7 Å²	158.7	70%	0.701	82%	0.815	S	S	*	*			trans	27.1	121.9	157.3	-45.8	-32.8	0	0	0	119.9
244	S	19.4	Very low	27.6	Very low	133 Å²	133	159.2 Å²	159.2	93%	0.93	81%	0.814	S	S	*	*			trans	-153.1	142.2	140.4	-80.4	0	0	0	0	110.3
245	L	24.9	Very low	28	Very low	162 Å²	162	159.6 Å²	159.6	85%	0.848	81%	0.812	S	S	*	*			trans	-129.9	137.9	-171	-177	69.3	0	0	0	111.5
246	S	26.7	Very low	28.4	Very low	106 Å²	106	156.7 Å²	156.7	74%	0.741	81%	0.806	S	S	*	*			trans	62.1	125.9	161.9	66.3	0	0	0	0	120.1
247	R	26.7	Very low	28.7	Very low	249 Å²	249	154.3 Å²	154.3	94%	0.94	80%	0.802	S	S	*	*			trans	-156.7	169.3	133.4	-117	179.6	-172.1	-156.1	0.3	112
248	Y	29.9	Very low	29.4	Very low	215 Å²	215	150.7 Å²	150.7	84%	0.843	80%	0.801	S	S	*	*			trans	-78.8	140.5	-168.4	-92.5	-117	0	0	0	114.2
249	D	27.6	Very low	29.7	Very low	142 Å²	142	149.1 Å²	149.1	76%	0.759	80%	0.804	S	S	*	*				42.4	129.1	106.8	-147.9	-12	0	0	0	120.4
250	S	28.8	Very low	30.1	Very low	111 Å²	111	150.7 Å²	150.7	78%	0.776	80%	0.803	S	S	*	*			trans	170.7	139.4	137	-177.3	0	0	0	0	112
251	D	30.1	Very low	30.2	Very low	160 Å²	160	150.8 Å²	150.8	86%	0.856	81%	0.809	S	S	*	*			trans	-64.8	166.5	163.8	-72.7	-62.1	0	0	0	113.3
252	G	30.8	Very low	30.7	Very low	76 Å²	76	146.9 Å²	146.9	78%	0.784	80%	0.798	S	S	*	*			trans	-169.3	51.3	-178.4	0	0	0	0	0	115.6
253	D	33.8	Very low	30.9	Very low	158 Å²	158	144 Å²	144	85%	0.845	80%	0.8	S	S	*	*			trans	-63.5	133.7	177.7	-174.5	12.1	0	0	0	113.2
254	K	32.3	Very low	31.1	Very low	193 Å²	193	144 Å²	144	84%	0.839	80%	0.799	S	S	*	*			trans	-154.5	133	168.4	-76.2	-154.7	174.3	-172.9	0	114.1
255	S	35.4	Very low	31.6	Very low	93 Å²	93	146 Å²	146	65%	0.65	80%	0.795	S	S	*	*			trans	-61.9	167.9	160	55.5	0	0	0	0	111.9
256	D	33.7	Very low	32	Very low	144 Å²	144	144.8 Å²	144.8	77%	0.77	79%	0.789	S	S	*	*				-162.1	173.4	53.2	-108	-62.4	0	0	0	115.8
257	D	33.5	Very low	32.7	Very low	134 Å²	134	145.4 Å²	145.4	72%	0.717	79%	0.79	S	S	*	*			trans	-57.7	151.4	176.3	-87.8	-45.6	0	0	0	115.2
258	L	39.7	Very low	32.7	Very low	178 Å²	178	136.5 Å²	136.5	93%	0.932	77%	0.77	S	S	*	*			trans	-150.7	156.2	133	-89.8	-161.4	0	0	0	111.3
259	V	33.4	Very low	32.6	Very low	120 Å²	120	132.7 Å²	132.7	73%	0.727	77%	0.769	S	S	*	*			trans	-121.8	159.9	-157.1	-74.5	0	0	0	0	115.3
260	V	35.8	Very low	33.6	Very low	132 Å²	132	131.2 Å²	131.2	80%	0.8	77%	0.767	S	S	*	*			trans	-7.1	146.8	172.6	-65.5	0	0	0	0	121.7
261	D	30.7	Very low	33.4	Very low	158 Å²	158	136.8 Å²	136.8	85%	0.845	77%	0.771	S	S	*	*				-148.2	153.8	125.9	-148.5	-19.5	0	0	0	111.7
262	V	33.6	Very low	33.2	Very low	118 Å²	118	135.6 Å²	135.6	72%	0.715	77%	0.769	S	S	*	*			trans	-152.2	123.9	-174.3	178.2	0	0	0	0	112.9
263	S	33.8	Very low	32.9	Very low	111 Å²	111	137 Å²	137	78%	0.776	77%	0.767	S	S	*	*			trans	-165.8	138	156.3	-77.5	0	0	0	0	108.6
264	N	32.2	Very low	33.1	Very low	130 Å²	130	135.6 Å²	135.6	70%	0.695	77%	0.767	S	S	*	*				64.4	137	63.7	-82.2	38.5	0	0	0	113.6
265	E	30.7	Very low	32.8	Very low	177 Å²	177	130.5 Å²	130.5	83%	0.827	76%	0.76	S	S	*	*			cis	-153.3	-178.4	8.9	-140.1	161.9	126.7	0	0	113.9
266	D	32.1	Very low	32.4	Very low	135 Å²	135	135.5 Å²	135.5	72%	0.722	77%	0.773	S	S	*	*			trans	-91.8	172.8	-175.5	-172.4	40.4	0	0	0	113.5	A268	D266-A268 PolarHBondContact OD2-N 3.39Å
267	P	41.4	Very low	32.1	Very low	119 Å²	119	133.5 Å²	133.5	77%	0.773	77%	0.771	S	S	*	*				-154.2	122	111.3	35.7	-15.3	0	0	0	119.4
268	A	27.1	Very low	32.9	Very low	63 Å²	63	132.7 Å²	132.7	52%	0.521	77%	0.772	S	S	.	*				72.9	103.9	118.5	0	0	0	0	0	125.3	D266	D266-A268 PolarHBondContact OD2-N 3.39Å
269	T	28.9	Very low	33.3	Very low	135 Å²	135	129.3 Å²	129.3	83%	0.828	76%	0.761	S	S	*	*				71.2	165.6	126.7	65.7	0	0	0	0	122.8
270	P	47.5	Very low	33.1	Very low	110 Å²	110	131.3 Å²	131.3	71%	0.714	76%	0.763	S	S	*	*			cis	-140	-175.9	-33.2	34.5	-14.4	0	0	0	116.7
271	R	25.8	Very low	32.8	Very low	229 Å²	229	131.7 Å²	131.7	86%	0.864	76%	0.76	S	S	*	*			trans	98.4	116.8	148.1	-78.2	-173.4	162.9	153	-3.6	123.6
272	V	25.6	Very low	32.7	Very low	134 Å²	134	127.1 Å²	127.1	81%	0.812	75%	0.75	S	S	*	*				73.1	142.5	124.5	-178.7	0	0	0	0	121.8
273	S	24.4	Very low	32.9	Very low	105 Å²	105	129.6 Å²	129.6	73%	0.734	76%	0.759	S	S	*	*			trans	-70.8	-176.2	179	-23.4	0	0	0	0	115.1
274	P	38.1	Very low	32.7	Very low	130 Å²	130	129.5 Å²	129.5	84%	0.844	75%	0.749	S	S	*	*			cis	-138.3	-159.4	11	43.3	-21.9	0	0	0	116.5
275	A	25.7	Very low	32.6	Very low	85 Å²	85	131.4 Å²	131.4	70%	0.702	75%	0.751	S	S	*	*			trans	-72.4	166.8	-169.2	0	0	0	0	0	118
276	H	26.1	Very low	32.5	Very low	199 Å²	199	127.1 Å²	127.1	92%	0.921	75%	0.746	S	S	*	*			trans	-164.7	163	148.7	-105.8	-72.4	0	0	0	114.2
277	S	28.5	Very low	32.4	Very low	102 Å²	102	132.1 Å²	132.1	71%	0.713	76%	0.755	S	S	*	*			trans	-148.3	-174.3	173.7	67.1	0	0	0	0	108.6
278	P	50.3	Low	31.6	Very low	116 Å²	116	130.9 Å²	130.9	75%	0.753	75%	0.749	S	S	*	*			cis	-111.2	-122.9	-8.6	42.1	-24.8	0	0	0	110
279	P	48.6	Very low	31.9	Very low	108 Å²	108	134.5 Å²	134.5	70%	0.701	76%	0.759	S	S	*	*			cis	-112.5	-148	-0.9	35.5	-12.5	0	0	0	112.4
280	E	28.8	Very low	31.9	Very low	162 Å²	162	136.3 Å²	136.3	76%	0.757	76%	0.756	S	S	*	*			cis	-157	-140	6.4	-147.6	-162.1	82.8	0	0	115.4
281	N	28.7	Very low	30.9	Very low	140 Å²	140	139.9 Å²	139.9	75%	0.749	76%	0.76	S	S	*	*			trans	-78.1	165.5	-165.3	-78.1	-52.2	0	0	0	118.1
282	G	28.1	Very low	30.9	Very low	61 Å²	61	134.7 Å²	134.7	63%	0.629	75%	0.749	S	S	*	*			cis	162.8	157.1	-9.8	0	0	0	0	0	116.3
283	L	37.8	Very low	31.1	Very low	171 Å²	171	132.7 Å²	132.7	90%	0.895	75%	0.747	S	S	*	*			trans	65.1	156.8	165.6	-60.4	171.5	0	0	0	118.4
284	D	30.8	Very low	32.2	Very low	109 Å²	109	132.8 Å²	132.8	58%	0.583	75%	0.745	S	S	*	*			cis	-151.9	160.7	17.3	-156.5	6.1	0	0	0	114.4
285	K	30.5	Very low	31.6	Very low	169 Å²	169	132.9 Å²	132.9	74%	0.735	74%	0.743	S	S	*	*			trans	23.5	160.7	161.8	-74.3	162.4	-160.5	82.4	0	124.7
286	A	28.2	Very low	31.7	Very low	87 Å²	87	134.3 Å²	134.3	72%	0.719	75%	0.748	S	S	*	*			cis	173.6	129.7	-36.7	0	0	0	0	0	112
287	R	28.6	Very low	33.2	Very low	240 Å²	240	131 Å²	131	91%	0.906	74%	0.744	S	S	*	*			trans	178.6	106.1	144.8	-99.3	-169.8	167.2	165	-2.6	107.9
288	S	26.3	Very low	33	Very low	93 Å²	93	131.1 Å²	131.1	65%	0.65	75%	0.751	S	S	*	*				70.5	121	73.2	77.3	0	0	0	0	112.9
289	L	32.4	Very low	32	Very low	140 Å²	140	130.9 Å²	130.9	73%	0.733	75%	0.752	S	S	*	*			cis	-156	149.4	11.5	-97.7	144.2	0	0	0	111.6
290	K	29.3	Very low	31.1	Very low	173 Å²	173	132.5 Å²	132.5	75%	0.752	76%	0.76	S	S	*	*			trans	30.9	152	134.7	-67.6	179.7	-172.6	175.5	0	120.2
291	K	27.2	Very low	31	Very low	184 Å²	184	128.8 Å²	128.8	80%	0.8	76%	0.757	S	S	*	*			cis	-157.6	146.5	25	-162.7	-165.7	174.8	-168.8	0	110.8
292	D	25.6	Very low	30.9	Very low	120 Å²	120	127.2 Å²	127.2	64%	0.642	76%	0.757	S	S	*	*			cis	-140.4	-119.3	-32.2	-82	-25.2	0	0	0	105.4
293	A	28.8	Very low	30.9	Very low	92 Å²	92	129.2 Å²	129.2	76%	0.76	76%	0.762	S	S	*	*			trans	-162.3	-148.1	176.7	0	0	0	0	0	109.6
294	P	46.9	Very low	30.4	Very low	107 Å²	107	126.1 Å²	126.1	70%	0.695	75%	0.754	S	S	*	*			cis	-128.2	-177.1	-41.7	31.7	-12.4	0	0	0	112.7
295	T	26.1	Very low	30.2	Very low	132 Å²	132	126.3 Å²	126.3	81%	0.81	76%	0.764	S	S	*	*				163.7	138.9	113.6	41.5	0	0	0	0	113
296	S	27.7	Very low	30.3	Very low	116 Å²	116	124.6 Å²	124.6	81%	0.811	77%	0.768	S	S	*	*			trans	-116	-164.2	163.9	-57.1	0	0	0	0	108.1
297	P	57.4	Low	30.9	Very low	129 Å²	129	125.9 Å²	125.9	84%	0.838	77%	0.769	S	S	*	*				-115.9	173.5	-84.2	38.4	-25.3	0	0	0	112.6
298	A	25.6	Very low	30.9	Very low	104 Å²	104	119.3 Å²	119.3	86%	0.86	76%	0.76	S	S	*	*			trans	-149.5	148	167.1	0	0	0	0	0	113
299	S	29.4	Very low	31.2	Very low	111 Å²	111	119.1 Å²	119.1	78%	0.776	76%	0.758	S	S	*	*			trans	-100.3	158.2	-179.7	-45.8	0	0	0	0	111.7
300	V	29.6	Very low	31	Very low	142 Å²	142	121.4 Å²	121.4	86%	0.861	76%	0.762	S	S	*	*				167.2	161.3	109.5	-76.4	0	0	0	0	113.2
301	A	25.6	Very low	31	Very low	84 Å²	84	119 Å²	119	69%	0.694	76%	0.763	S	S	*	*			trans	71.7	105.2	147.6	0	0	0	0	0	122
302	S	27.2	Very low	31.1	Very low	108 Å²	108	118.6 Å²	118.6	76%	0.755	76%	0.761	S	S	*	*				65.5	118.3	116	-51.6	0	0	0	0	123.4
303	S	27.6	Very low	31.2	Very low	103 Å²	103	118.2 Å²	118.2	72%	0.72	76%	0.759	S	S	*	*			trans	74	127.7	130.3	61.1	0	0	0	0	123.4
304	S	27.1	Very low	31.3	Very low	106 Å²	106	121.5 Å²	121.5	74%	0.741	76%	0.763	S	S	*	*			trans	83.1	138.3	137.7	66.8	0	0	0	0	122.7
305	S	27.8	Very low	30.5	Very low	113 Å²	113	119.8 Å²	119.8	79%	0.79	76%	0.764	S	S	*	*			trans	64.4	118.3	153.1	44.9	0	0	0	0	121.7
306	T	32.3	Very low	31	Very low	133 Å²	133	121.4 Å²	121.4	82%	0.816	76%	0.763	S	S	*	*			trans	-62.1	162.1	143.2	42.9	0	0	0	0	110.5
307	P	39.7	Very low	31.2	Very low	113 Å²	113	121 Å²	121	73%	0.734	75%	0.751	S	S	*	*			cis	-151.6	173.3	41.7	42.8	-21.6	0	0	0	119.8
308	S	30.3	Very low	29.9	Very low	103 Å²	103	119.7 Å²	119.7	72%	0.72	74%	0.737	S	S	*	*			trans	31.5	147.2	146.4	76.7	0	0	0	0	122.1
309	S	31.9	Very low	30.3	Very low	88 Å²	88	122.3 Å²	122.3	62%	0.615	73%	0.729	S	S	*	*				175.1	158.7	78.8	52.9	0	0	0	0	116.1
310	K	28.3	Very low	30.5	Very low	188 Å²	188	121.6 Å²	121.6	82%	0.817	72%	0.724	S	S	*	*			trans	69.5	154.3	161.4	-61.9	148.2	-176.2	171.4	0	115.9
311	T	28.5	Very low	30.5	Very low	124 Å²	124	119.3 Å²	119.3	76%	0.761	71%	0.714	S	S	*	*			cis	-141.4	128.4	16.6	-41.3	0	0	0	0	108
312	K	29.8	Very low	30.5	Very low	175 Å²	175	121.6 Å²	121.6	76%	0.761	72%	0.72	S	S	*	*				57.9	136.8	78.1	-103.5	-148.9	173.3	-101.3	0	113.8
313	D	27.6	Very low	31.3	Very low	112 Å²	112	122.6 Å²	122.6	60%	0.599	72%	0.724	S	S	*	*			cis	-170.4	-173.5	-9.7	-143.4	-18.4	0	0	0	111.6
314	L	30.6	Very low	31.3	Very low	161 Å²	161	121.5 Å²	121.5	84%	0.843	73%	0.729	S	S	*	*			trans	84.3	121	170.4	-50.2	169.5	0	0	0	114.6
315	G	30.7	Very low	31.4	Very low	71 Å²	71	124.7 Å²	124.7	73%	0.732	74%	0.737	S	S	*	*			cis	176.6	-162.6	0.1	0	0	0	0	0	107.9
316	H	36.5	Very low	31.4	Very low	166 Å²	166	129.5 Å²	129.5	77%	0.769	74%	0.743	S	S	*	*			cis	-170.9	149.5	-13.8	-141.3	15.1	0	0	0	104.7
317	N	31.7	Very low	31.2	Very low	108 Å²	108	127.8 Å²	127.8	58%	0.578	74%	0.737	S	S	*	*			cis	-148.2	-153	1.8	-151.7	10.9	0	0	0	107
318	D	29.8	Very low	30.5	Very low	101 Å²	101	129.7 Å²	129.7	54%	0.54	74%	0.741	S	S	.	*			cis	-158.4	-178.2	4.9	-147.5	-15.8	0	0	0	112.5
319	K	34	Very low	30.4	Very low	159 Å²	159	131.3 Å²	131.3	69%	0.691	75%	0.746	S	S	*	*			trans	-4.4	146.9	163.6	-73.6	156.6	-163.2	82.2	0	122.9
320	S	34.3	Very low	30.8	Very low	96 Å²	96	132.9 Å²	132.9	67%	0.671	76%	0.755	S	S	*	*			cis	-176.3	147.6	-12	47.8	0	0	0	0	115.3
321	S	28.9	Very low	31.1	Very low	93 Å²	93	129.9 Å²	129.9	65%	0.65	75%	0.752	S	S	*	*			trans	55.1	126.8	149.2	52.5	0	0	0	0	121.2
322	T	25.5	Very low	32	Very low	132 Å²	132	129.6 Å²	129.6	81%	0.81	75%	0.752	S	S	*	*			cis	74.8	159.1	41.6	75.1	0	0	0	0	115.2
323	P	43.7	Very low	31.7	Very low	130 Å²	130	132.6 Å²	132.6	84%	0.844	76%	0.759	S	S	*	*			cis	-134.9	-170.5	-3.2	43.3	-26.1	0	0	0	115.4
324	G	27.4	Very low	31.7	Very low	80 Å²	80	133.9 Å²	133.9	83%	0.825	77%	0.766	S	S	*	*			trans	152.3	120.3	152.8	0	0	0	0	0	119.3
325	L	30.3	Very low	31.4	Very low	172 Å²	172	133.8 Å²	133.8	90%	0.901	77%	0.766	S	S	*	*			trans	-98.7	148.5	178.8	-68.9	151.3	0	0	0	113.7
326	K	27.3	Very low	31.7	Very low	215 Å²	215	134.8 Å²	134.8	94%	0.935	77%	0.767	S	S	*	*				174.5	171.3	123.1	-96.3	167.3	-176.8	179.8	0	114.8
327	S	28.7	Very low	31.8	Very low	97 Å²	97	132.9 Å²	132.9	68%	0.678	77%	0.77	S	S	*	*			trans	-103	149.6	-173.8	167.9	0	0	0	0	113.1
328	N	24.6	Very low	31.8	Very low	153 Å²	153	133.9 Å²	133.9	82%	0.818	78%	0.78	S	S	*	*				166.7	147.8	124.6	-81.5	-4.5	0	0	0	113.5
329	T	27.5	Very low	32.4	Very low	136 Å²	136	135.1 Å²	135.1	83%	0.834	79%	0.793	S	S	*	*			trans	-97.6	168	163.6	20.3	0	0	0	0	110.7
330	P	41	Very low	32	Very low	122 Å²	122	130.7 Å²	130.7	79%	0.792	79%	0.793	S	S	*	*			cis	-127.8	-152	-3.5	40.1	-20.9	0	0	0	113.5
331	T	34.4	Very low	31.8	Very low	125 Å²	125	132 Å²	132	77%	0.767	80%	0.797	S	S	*	*			trans	-68.9	178.4	174.4	55	0	0	0	0	113.2
332	P	48	Very low	31.9	Very low	117 Å²	117	132.2 Å²	132.2	76%	0.76	80%	0.799	S	S	*	*			cis	-144.1	-167.6	12.8	44.6	-24.7	0	0	0	117.3
333	R	22.6	Very low	32	Very low	238 Å²	238	131.6 Å²	131.6	90%	0.898	80%	0.795	S	S	*	*			trans	130.5	150.8	136.3	-155.1	168	-167.6	159	2.8	116.1
334	N	28.6	Very low	31.6	Very low	139 Å²	139	131.3 Å²	131.3	74%	0.743	79%	0.791	S	S	*	*			trans	-77.3	165.5	-175.3	-50.8	-13.2	0	0	0	113.6
335	D	24.8	Very low	32.2	Very low	160 Å²	160	133.5 Å²	133.5	86%	0.856	79%	0.791	S	S	*	*				-167.8	169	101.3	-90.5	-25.5	0	0	0	112.2
336	A	35.6	Very low	32	Very low	91 Å²	91	128.7 Å²	128.7	75%	0.752	78%	0.783	S	S	*	*			trans	-127.8	175.6	-175.4	0	0	0	0	0	111.6
337	P	39.3	Very low	32.1	Very low	126 Å²	126	126.7 Å²	126.7	82%	0.818	78%	0.781	S	S	*	*				-141	162.8	126.6	33.5	-17.9	0	0	0	117.8
338	T	32.3	Very low	31.9	Very low	129 Å²	129	133.4 Å²	133.4	79%	0.791	79%	0.792	S	S	*	*			trans	-65.5	-177.1	175.7	29.3	0	0	0	0	115.3
339	P	41.3	Very low	31.9	Very low	127 Å²	127	131.7 Å²	131.7	83%	0.825	79%	0.792	S	S	*	*			cis	-129.7	169.3	14.9	40.2	-22.9	0	0	0	116.9
340	G	26.8	Very low	31.8	Very low	66 Å²	66	133.3 Å²	133.3	68%	0.68	79%	0.792	S	S	*	*			cis	-172.9	-152	2.3	0	0	0	0	0	109.6
341	T	30	Very low	32	Very low	124 Å²	124	133.3 Å²	133.3	76%	0.761	79%	0.792	S	S	*	*			cis	-157.9	168.8	-3.3	51.9	0	0	0	0	110
342	S	30.6	Very low	31.5	Very low	98 Å²	98	130.8 Å²	130.8	69%	0.685	79%	0.791	S	S	*	*			trans	47.4	130.7	152.4	56	0	0	0	0	121.8
343	T	27	Very low	30.5	Very low	118 Å²	118	134.9 Å²	134.9	72%	0.724	80%	0.797	S	S	*	*			cis	-169	114.8	1	13.5	0	0	0	0	108.8
344	T	34.8	Very low	32	Very low	124 Å²	124	128.7 Å²	128.7	76%	0.761	79%	0.787	S	S	*	*				75.4	154.2	95.1	57	0	0	0	0	118.3
345	P	41.8	Very low	32.6	Very low	127 Å²	127	127.8 Å²	127.8	83%	0.825	79%	0.789	S	S	*	*			cis	-146.2	167.8	-24.1	36.7	-17.1	0	0	0	118.5
346	G	25.8	Very low	32.5	Very low	71 Å²	71	123.7 Å²	123.7	73%	0.732	78%	0.784	S	S	*	*			trans	118.7	144.1	143.9	0	0	0	0	0	118
347	L	28.8	Very low	32.2	Very low	173 Å²	173	128.2 Å²	128.2	91%	0.906	79%	0.792	S	S	*	*			cis	-154.9	-175.7	-12.4	-119.8	173.1	0	0	0	111.4
348	R	24.7	Very low	31.9	Very low	237 Å²	237	129.1 Å²	129.1	89%	0.894	79%	0.79	S	S	*	*			trans	-97.5	-176.9	-166.1	-68.4	-178.8	173.5	170.8	-2.4	113.8
349	S	23.4	Very low	32.6	Very low	118 Å²	118	128.3 Å²	128.3	83%	0.825	79%	0.787	S	S	*	*			cis	-168.4	-179.6	35.7	57.9	0	0	0	0	117.2
350	M	25.7	Very low	31.9	Very low	170 Å²	170	130.5 Å²	130.5	84%	0.837	79%	0.79	S	S	*	*			trans	-158.1	178.5	-176.1	-92	-74.9	-81.6	0	0	108.7
351	P	45.2	Very low	31.7	Very low	122 Å²	122	130.3 Å²	130.3	79%	0.792	79%	0.788	S	S	*	*			cis	-140.1	-160.8	11.2	45.6	-26	0	0	0	115.8
352	G	23.9	Very low	31.5	Very low	72 Å²	72	132 Å²	132	74%	0.742	79%	0.791	S	S	*	*			trans	-179.6	141.7	163.5	0	0	0	0	0	117
353	K	27.4	Very low	31.3	Very low	203 Å²	203	136 Å²	136	88%	0.883	80%	0.801	S	S	*	*			trans	-178.3	173.1	176	-130.5	-169.1	176	-179.8	0	109.7
354	P	54.2	Low	31.3	Very low	107 Å²	107	134.9 Å²	134.9	70%	0.695	80%	0.804	S	S	*	*			cis	-119.6	-128.4	-21.8	39.8	-19.5	0	0	0	109.5
355	P	41.1	Very low	30.8	Very low	120 Å²	120	134.8 Å²	134.8	78%	0.779	81%	0.808	S	S	*	*			cis	-132.2	175.7	-39.4	38.8	-22.5	0	0	0	116
356	G	23.8	Very low	30	Very low	74 Å²	74	132.7 Å²	132.7	76%	0.763	80%	0.801	S	S	*	*				106.5	105.8	129.7	0	0	0	0	0	123.2
357	M	28.1	Very low	30	Very low	187 Å²	187	136.6 Å²	136.6	92%	0.921	81%	0.805	S	S	*	*			trans	52.8	127.5	147.3	-142.3	84.4	84.7	0	0	123.2
358	D	33	Very low	29.9	Very low	145 Å²	145	138.3 Å²	138.3	78%	0.775	80%	0.799	S	S	*	*			trans	-69.4	173.9	166.5	-56.1	-77.1	0	0	0	113.5
359	P	46.3	Very low	30	Very low	111 Å²	111	133 Å²	133	72%	0.721	79%	0.794	S	S	*	*			cis	-153.3	-169.5	28.9	39.5	-13.7	0	0	0	120.2
360	I	27.6	Very low	30.4	Very low	173 Å²	173	133.1 Å²	133.1	89%	0.887	79%	0.791	S	S	*	*			trans	88	122.1	161.5	-55.9	168.8	0	0	0	119.1
361	G	22.1	Very low	30.6	Very low	63 Å²	63	132.8 Å²	132.8	65%	0.649	79%	0.791	S	S	*	*			trans	136	102.3	131.4	0	0	0	0	0	122.1
362	I	25.6	Very low	29.6	Very low	159 Å²	159	131.6 Å²	131.6	82%	0.815	79%	0.785	S	S	*	*			trans	75.3	109.2	134.3	-64.3	177.5	0	0	0	121.9
363	M	26.2	Very low	29.8	Very low	182 Å²	182	135.3 Å²	135.3	90%	0.897	79%	0.787	S	S	*	*			trans	75.8	135.9	138.4	-73.5	-177.6	-173.6	0	0	126.3
364	A	26.7	Very low	29.8	Very low	94 Å²	94	132 Å²	132	78%	0.777	78%	0.784	S	S	*	*			trans	93.4	96.8	137.2	0	0	0	0	0	122.6
365	S	24.4	Very low	28.2	Very low	123 Å²	123	132.6 Å²	132.6	86%	0.86	79%	0.791	S	S	*	*				48.3	119.5	125.7	-162.3	0	0	0	0	122.1
366	A	25.5	Very low	27.5	Very low	82 Å²	82	132.2 Å²	132.2	68%	0.678	79%	0.791	S	S	*	*				-177.8	138.2	119.5	0	0	0	0	0	115.3
367	L	26.9	Very low	27.5	Very low	153 Å²	153	138.1 Å²	138.1	80%	0.801	79%	0.792	S	S	*	*			trans	62.5	125.8	141.5	-66.9	167.2	0	0	0	124.2
368	R	26.5	Very low	27.5	Very low	210 Å²	210	133 Å²	133	79%	0.792	78%	0.779	S	S	*	*			trans	94.4	119.6	131.2	-81.5	-177	174.5	-170.6	-1.8	123.7
369	T	26.6	Very low	27.2	Very low	126 Å²	126	130.8 Å²	130.8	77%	0.773	78%	0.78	S	S	*	*			trans	64.4	114.8	135.8	55.5	0	0	0	0	122.1
370	P	31.3	Very low	27	Very low	120 Å²	120	129.2 Å²	129.2	78%	0.779	77%	0.771	S	S	*	*			trans	-102.2	151.8	160.3	38.3	-31.1	0	0	0	113.8
371	I	29.3	Very low	26.9	Very low	163 Å²	163	131 Å²	131	84%	0.836	77%	0.772	S	S	*	*			trans	167.8	142.7	164.6	-93.8	154.6	0	0	0	104.2
372	S	24.3	Very low	27.3	Very low	96 Å²	96	131.9 Å²	131.9	67%	0.671	77%	0.774	S	S	*	*			cis	-144.9	141.1	31.1	-18.5	0	0	0	0	114.4
373	I	29.9	Very low	27.4	Very low	151 Å²	151	133.1 Å²	133.1	77%	0.774	78%	0.778	S	S	*	*			trans	30.6	118	131.2	-29.2	163.1	0	0	0	119.4
374	T	25.9	Very low	27.5	Very low	132 Å²	132	132.2 Å²	132.2	81%	0.81	77%	0.774	S	S	*	*				175.9	123.4	104.1	38.1	0	0	0	0	112.5
375	S	20.9	Very low	27.6	Very low	121 Å²	121	132.7 Å²	132.7	85%	0.846	77%	0.771	S	S	*	*			trans	-156.5	137.6	160.5	-178.5	0	0	0	0	107.6
376	S	26.6	Very low	27.8	Very low	112 Å²	112	135.1 Å²	135.1	78%	0.783	77%	0.769	S	S	*	*			trans	-134	97.7	-160.7	-56.8	0	0	0	0	113.6
377	Y	23.4	Very low	27.8	Very low	198 Å²	198	139 Å²	139	78%	0.776	77%	0.773	S	S	*	*			trans	-87.9	161.2	148.9	-93.2	-98	0	0	0	107.9	P587	Y377-P587 HydrophobicContact CE1-CB 4.19Å
378	A	28.1	Very low	27.8	Very low	79 Å²	79	139.5 Å²	139.5	65%	0.653	77%	0.771	S	S	*	*			cis	-153	177.8	-2.2	0	0	0	0	0	109.6
379	A	28.2	Very low	28.1	Very low	98 Å²	98	138 Å²	138	81%	0.81	78%	0.775	S	S	*	*			trans	-83.1	154.5	163.2	0	0	0	0	0	112.3
380	P	40.2	Very low	28.3	Very low	79 Å²	79	138.7 Å²	138.7	51%	0.513	77%	0.774	S	S	.	*			trans	-112.4	165.1	165.2	38.4	-29.8	0	0	0	113.3	Y65	Y65-P380 HydrophobicContact CE2-CG 4.44Å
381	F	26.9	Very low	28.1	Very low	209 Å²	209	136.2 Å²	136.2	92%	0.917	77%	0.77	S	S	*	*			trans	-141.1	152	174.1	-128.3	-75.9	0	0	0	111.1
382	A	29.5	Very low	27.9	Very low	83 Å²	83	133.3 Å²	133.3	69%	0.686	76%	0.764	S	S	*	*			trans	77.1	134.1	157.3	0	0	0	0	0	121.4
383	M	27.7	Very low	28	Very low	185 Å²	185	136.3 Å²	136.3	91%	0.911	77%	0.772	S	S	*	*			trans	50.5	136.6	150.2	-62.3	-165.9	-171.7	0	0	122
384	M	28.9	Very low	27.7	Very low	163 Å²	163	135.5 Å²	135.5	80%	0.803	77%	0.774	S	S	*	*				-166.3	161.8	110.2	-102.9	-174.7	100	0	0	112.7	H386	M384-H386 VanDerWaalsContact CE-NE2 3.26Å; M384-H386 WeakPolarHBondContact CE-NE2 3.41Å
385	S	28.7	Very low	27.6	Very low	104 Å²	104	134.4 Å²	134.4	73%	0.727	77%	0.772	S	S	*	*			trans	-116.7	144.6	169.6	54.4	0	0	0	0	109.4
386	H	28.4	Very low	28.4	Very low	173 Å²	173	134.7 Å²	134.7	80%	0.801	77%	0.771	S	S	*	*			trans	-145.4	179.4	175	-108	-74.4	0	0	0	114.9	M384	M384-H386 VanDerWaalsContact CE-NE2 3.26Å; M384-H386 WeakPolarHBondContact CE-NE2 3.41Å
387	H	25.8	Very low	28.2	Very low	165 Å²	165	133.1 Å²	133.1	76%	0.764	77%	0.772	S	S	*	*			trans	-123.8	170.6	-148.3	-151	-78.3	0	0	0	113.8
388	E	26.8	Very low	28.3	Very low	163 Å²	163	128.3 Å²	128.3	76%	0.762	77%	0.774	S	S	*	*			trans	-77.4	158.1	-176.8	-47.5	168.6	108.3	0	0	116.5
389	M	32.7	Very low	28.2	Very low	179 Å²	179	135.4 Å²	135.4	88%	0.882	79%	0.785	S	S	*	*			trans	174.9	160.5	138.3	-92	-128.2	175.2	0	0	110.5
390	N	30.3	Very low	28	Very low	140 Å²	140	134.7 Å²	134.7	75%	0.749	78%	0.779	S	S	*	*			cis	173.8	142.8	-19.9	177.8	10.3	0	0	0	106.4
391	G	28.4	Very low	27.3	Very low	67 Å²	67	135.7 Å²	135.7	69%	0.691	79%	0.788	S	S	*	*			cis	-141	-123.4	0.7	0	0	0	0	0	110.9
392	S	23.3	Very low	27.4	Very low	103 Å²	103	131.8 Å²	131.8	72%	0.72	78%	0.776	S	S	*	*			cis	-163.8	161.1	-3.4	67.8	0	0	0	0	111.8
393	L	27.1	Very low	27.2	Very low	158 Å²	158	134.8 Å²	134.8	83%	0.827	78%	0.775	S	S	*	*			trans	69.7	140.9	173	-50.3	174.2	0	0	0	116.4
394	T	23.2	Very low	27.1	Very low	134 Å²	134	133.5 Å²	133.5	82%	0.822	77%	0.773	S	S	*	*			cis	-153	160.6	-4.9	8.7	0	0	0	0	110.8
395	S	24.7	Very low	27.2	Very low	110 Å²	110	132.3 Å²	132.3	77%	0.769	77%	0.768	S	S	*	*			trans	-108.7	163.4	170	-148.8	0	0	0	0	109.9
396	P	36.4	Very low	27.9	Very low	126 Å²	126	132.7 Å²	132.7	82%	0.818	77%	0.768	S	S	*	*				-157.5	173.4	74.4	42.5	-22.7	0	0	0	118.5
397	G	23.3	Very low	28.9	Very low	79 Å²	79	129.7 Å²	129.7	81%	0.814	76%	0.764	S	S	*	*			trans	97	148.5	136.8	0	0	0	0	0	119.1
398	A	26.1	Very low	29	Very low	98 Å²	98	129.3 Å²	129.3	81%	0.81	76%	0.762	S	S	*	*			trans	-154	156.4	-179.2	0	0	0	0	0	112.2
399	Y	24.6	Very low	29.2	Very low	228 Å²	228	128.8 Å²	128.8	89%	0.894	76%	0.762	S	S	*	*			trans	-173	141.5	149	-130.1	-100.8	0	0	0	113.1
400	A	25.8	Very low	29.2	Very low	82 Å²	82	126.3 Å²	126.3	68%	0.678	76%	0.762	S	S	*	*			trans	56.6	157	156.9	0	0	0	0	0	120.1
401	S	23.8	Very low	29	Very low	101 Å²	101	123.5 Å²	123.5	71%	0.706	76%	0.758	S	S	*	*			cis	-178.8	160.3	-15.3	-92.1	0	0	0	0	107.6
402	L	29.3	Very low	28.8	Very low	127 Å²	127	124.8 Å²	124.8	67%	0.665	76%	0.763	S	S	*	*			cis	-166.8	172.4	-14.6	-114.5	172.8	0	0	0	108.9
403	H	26.1	Very low	28.9	Very low	145 Å²	145	124.5 Å²	124.5	67%	0.671	77%	0.766	S	S	*	*			trans	69.6	150.2	169.6	-56.5	-65.1	0	0	0	117.4
404	N	25.1	Very low	28.7	Very low	159 Å²	159	121.8 Å²	121.8	85%	0.85	77%	0.766	S	S	*	*			cis	-101.7	171	4.3	-88.4	-15.9	0	0	0	114.1
405	I	31.9	Very low	28.8	Very low	137 Å²	137	120.3 Å²	120.3	70%	0.703	77%	0.768	S	S	*	*			trans	-137	-178.3	-176.3	-2.3	178.6	0	0	0	110.6
406	P	43.3	Very low	28.9	Very low	112 Å²	112	119.3 Å²	119.3	73%	0.727	77%	0.767	S	S	*	*			trans	-117.7	-117	-135.8	38.4	-14.2	0	0	0	110.7
407	P	48.7	Very low	28.4	Very low	110 Å²	110	118 Å²	118	71%	0.714	77%	0.766	S	S	*	*			cis	-115.7	-157.7	-16.5	22.5	6	0	0	0	110.9
408	Q	28.7	Very low	28.5	Very low	157 Å²	157	119.1 Å²	119.1	73%	0.734	77%	0.768	S	S	*	*			cis	-155.8	150.1	27.4	-81.1	-174.9	-77.9	0	0	115.9
409	M	30.5	Very low	28.5	Very low	153 Å²	153	118.1 Å²	118.1	75%	0.754	76%	0.76	S	S	*	*			trans	56.7	136.4	135.5	-64.8	175.8	62.1	0	0	122.9
410	S	33.6	Very low	28.8	Very low	126 Å²	126	118.4 Å²	118.4	88%	0.881	76%	0.761	S	S	*	*			trans	-114.6	129.8	153.1	176.9	0	0	0	0	109.7
411	A	25.4	Very low	28.7	Very low	82 Å²	82	117.7 Å²	117.7	68%	0.678	76%	0.761	S	S	*	*			trans	-171.6	152.8	167	0	0	0	0	0	107.2
412	A	24.8	Very low	28.9	Very low	94 Å²	94	125 Å²	125	78%	0.777	77%	0.773	S	S	*	*			cis	171.7	166	-22.4	0	0	0	0	0	104.5
413	A	23.8	Very low	29	Very low	96 Å²	96	124.1 Å²	124.1	79%	0.793	78%	0.778	S	S	*	*			trans	72.4	107	166	0	0	0	0	0	120.7
414	A	24.4	Very low	29.5	Very low	101 Å²	101	122.7 Å²	122.7	84%	0.835	78%	0.781	S	S	*	*				74	159.5	122.9	0	0	0	0	0	122.6
415	A	23.7	Very low	29.7	Very low	104 Å²	104	123.4 Å²	123.4	86%	0.86	78%	0.782	S	S	*	*			trans	64.7	146.4	-174.3	0	0	0	0	0	115.1
416	A	28.3	Very low	29.6	Very low	89 Å²	89	122.4 Å²	122.4	74%	0.736	78%	0.782	S	S	*	*			cis	-138.7	145.8	-8.8	0	0	0	0	0	106.8
417	A	25.4	Very low	28.8	Very low	97 Å²	97	122.7 Å²	122.7	80%	0.802	79%	0.787	S	S	*	*				60.4	103.3	63.9	0	0	0	0	0	115.5
418	A	26.3	Very low	27.7	Very low	103 Å²	103	127.1 Å²	127.1	85%	0.851	80%	0.795	S	S	*	*			trans	78.4	150.9	155.8	0	0	0	0	0	121.9
419	A	26.1	Very low	27.5	Very low	78 Å²	78	123.2 Å²	123.2	65%	0.645	80%	0.797	S	S	*	*			trans	66.5	145	172.9	0	0	0	0	0	116.4
420	Y	29.4	Very low	27.4	Very low	234 Å²	234	120.2 Å²	120.2	92%	0.918	80%	0.797	S	S	*	*			cis	-132.5	170.8	2.9	-66.8	-96.5	0	0	0	108.8
421	G	24.4	Very low	27.2	Very low	67 Å²	67	121.6 Å²	121.6	69%	0.691	80%	0.799	S	S	*	*			cis	129.3	116.9	-0.1	0	0	0	0	0	112.8
422	R	28.2	Very low	27.2	Very low	253 Å²	253	121.2 Å²	121.2	96%	0.955	80%	0.803	S	S	*	*			trans	72.7	127.6	171.9	-74.9	-176.4	164.1	-171.2	-5.3	120.8
423	S	30.9	Very low	27.4	Very low	109 Å²	109	127 Å²	127	76%	0.762	81%	0.812	S	S	*	*			trans	-94.1	164.9	143.1	-35.8	0	0	0	0	110.4
424	P	37.5	Very low	27.6	Very low	115 Å²	115	129.4 Å²	129.4	75%	0.747	81%	0.811	S	S	*	*			trans	-108.5	147	144.2	39.8	-31.7	0	0	0	109
425	M	28.4	Very low	28.3	Very low	174 Å²	174	128.4 Å²	128.4	86%	0.857	80%	0.796	S	S	*	*			cis	58.8	131.9	49.3	-74.3	-152.8	134.3	0	0	113.6
426	V	29.6	Very low	28.5	Very low	116 Å²	116	131.5 Å²	131.5	70%	0.703	79%	0.792	S	S	*	*			cis	-159.4	156.9	-11.5	-95.6	0	0	0	0	108.1
427	S	25.8	Very low	29	Very low	119 Å²	119	132.7 Å²	132.7	83%	0.832	79%	0.793	S	S	*	*			trans	-160.9	161.6	131.6	-156.8	0	0	0	0	112
428	F	25.7	Very low	29.5	Very low	202 Å²	202	134 Å²	134	89%	0.886	79%	0.793	S	S	*	*			trans	-107.7	163.1	178.6	-92.4	-119	0	0	0	110.7
429	G	26	Very low	29.7	Very low	75 Å²	75	137.9 Å²	137.9	77%	0.773	80%	0.795	S	S	*	*			trans	151.1	59.8	154.3	0	0	0	0	0	120.9
430	A	27.2	Very low	29.9	Very low	91 Å²	91	145 Å²	145	75%	0.752	81%	0.806	S	S	*	*			trans	41.1	139.6	140.8	0	0	0	0	0	124.4
431	V	29.4	Very low	29.8	Very low	154 Å²	154	138.8 Å²	138.8	93%	0.933	80%	0.803	S	S	*	*			trans	57.8	128.1	151	-62.6	0	0	0	0	122
432	G	26.3	Very low	30	Very low	74 Å²	74	141.6 Å²	141.6	76%	0.763	81%	0.807	S	S	*	*			trans	163.5	103	160.4	0	0	0	0	0	117.1
433	F	27.8	Very low	30	Very low	217 Å²	217	133 Å²	133	95%	0.952	80%	0.797	S	S	*	*			trans	19.4	132.7	150.5	-81.6	-97.7	0	0	0	123.7
434	D	27.8	Very low	30	Very low	145 Å²	145	135.8 Å²	135.8	78%	0.775	80%	0.803	S	S	*	*			trans	-76.2	176.7	151.1	-145.6	21.8	0	0	0	109.6
435	P	40.2	Very low	29.7	Very low	80 Å²	80	135.2 Å²	135.2	52%	0.519	80%	0.799	S	S	.	*			cis	-144.5	-173.2	5.3	32	-5.7	0	0	0	118
436	H	28.5	Very low	29.8	Very low	170 Å²	170	133.2 Å²	133.2	79%	0.787	80%	0.802	S	S	*	*			trans	84.6	169.4	156.6	-51.8	-43.4	0	0	0	118.2
437	P	38.1	Very low	30.1	Very low	114 Å²	114	132.1 Å²	132.1	74%	0.74	80%	0.799	S	S	*	*				-135.7	177.9	-112.2	30.3	-3.6	0	0	0	116.4
438	P	35.6	Very low	31.1	Very low	125 Å²	125	134.7 Å²	134.7	81%	0.812	80%	0.803	S	S	*	*			trans	-97.4	149.9	162.4	35.1	-29.9	0	0	0	112.8
439	M	31.5	Very low	31.2	Very low	183 Å²	183	129.7 Å²	129.7	90%	0.901	80%	0.799	S	S	*	*			trans	-91.1	169.5	-178	-68.3	-170.5	74.9	0	0	114.2
440	R	29.5	Very low	31.7	Very low	227 Å²	227	131.3 Å²	131.3	86%	0.857	80%	0.798	S	S	*	*			trans	-37	137.5	170.6	-73.3	175.3	162.1	132.4	-6.4	114.6
441	A	26.9	Very low	32.1	Very low	104 Å²	104	133.6 Å²	133.6	86%	0.86	80%	0.796	S	S	*	*			trans	-115	148.5	138.7	0	0	0	0	0	108.4
442	T	28.6	Very low	32.2	Very low	127 Å²	127	132.5 Å²	132.5	78%	0.779	79%	0.793	S	S	*	*			trans	-124.4	132.4	-170.5	48.6	0	0	0	0	113.1
443	G	27.8	Very low	32.8	Very low	73 Å²	73	132.9 Å²	132.9	75%	0.753	80%	0.797	S	S	*	*			trans	99.1	107.4	153.3	0	0	0	0	0	116.6
444	L	32.3	Very low	33.5	Very low	167 Å²	167	125 Å²	125	87%	0.874	78%	0.776	S	S	*	*				-175.9	155.8	126	-94	166.2	0	0	0	108
445	P	30.3	Very low	35	Very low	102 Å²	102	127.4 Å²	127.4	66%	0.662	78%	0.78	S	S	*	*			trans	-79.9	140.9	-167.2	31.6	-35.1	0	0	0	113.3	S447	P445-S447 PolarHBondContact O-N 2.89Å
446	S	30.2	Very low	36.8	Very low	133 Å²	133	128.9 Å²	128.9	93%	0.93	79%	0.79	S	S	*	*			trans	-81.9	55.4	-179.3	-51.4	0	0	0	0	113.6
447	S	37.2	Very low	39.5	Very low	92 Å²	92	123.5 Å²	123.5	64%	0.643	77%	0.774	S	S	*	*			trans	-84.9	124.3	169.1	56.9	0	0	0	0	110.9	P445	P445-S447 PolarHBondContact O-N 2.89Å
448	L	45.5	Very low	42	Very low	173 Å²	173	120.1 Å²	120.1	91%	0.906	75%	0.747	S	S	*	*			trans	52.9	91.6	177.5	-82	75.8	0	0	0	115.7
449	A	29.4	Very low	44.7	Very low	97 Å²	97	114.3 Å²	114.3	80%	0.802	71%	0.709	S	S	*	*			trans	-122.2	90.1	148.3	0	0	0	0	0	108.4	I451	A449-I451 PolarHBondContact O-N 3.24Å
450	S	35.3	Very low	47.7	Very low	109 Å²	109	107.7 Å²	107.7	76%	0.762	68%	0.676	S	S	*	*			trans	-69.5	119.1	170.3	44.8	0	0	0	0	109	P452	S450-P452 WeakPolarHBondContact O-CD 3.43Å
451	I	36.5	Very low	50.7	Low	139 Å²	139	98.9 Å²	98.9	71%	0.713	64%	0.644	S	S	*	*			trans	-69	116.4	176.2	-59.5	174.6	0	0	0	108	A449 G453 G454	A449-I451 PolarHBondContact O-N 3.24Å; I451-G453 PolarHBondContact O-N 2.98Å; I451-G454 PolarHBondContact O-N 2.87Å
452	P	30.8	Very low	53.7	Low	132 Å²	132	94.6 Å²	94.6	86%	0.857	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	111.6	179.4	-18.7	33.2	0	0	0	109.6	S450	S450-P452 WeakPolarHBondContact O-CD 3.43Å
453	G	39.5	Very low	56.4	Low	82 Å²	82	90.5 Å²	90.5	85%	0.845	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	103.6	2.3	-175.8	0	0	0	0	0	115.7	I451	I451-G453 PolarHBondContact O-N 2.98Å
454	G	41	Very low	58.8	Low	51 Å²	51	90.6 Å²	90.6	53%	0.526	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-64.4	142.3	165	0	0	0	0	0	111.7	I451	I451-G454 PolarHBondContact O-N 2.87Å
455	K	61.2	Low	60.9	Low	195 Å²	195	87.4 Å²	87.4	85%	0.848	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-59.5	146.9	165.7	-72.7	-173.2	177.4	-175.1	0	109.3
456	P	77.8	Confident	63.1	Low	112 Å²	112	85 Å²	85	73%	0.727	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-57.9	145.5	175.5	25.5	-34.4	0	0	0	111	Y458	P456-Y458 PolarHBondContact O-N 3.2Å
457	A	85	Confident	65.6	Low	56 Å²	56	83.6 Å²	83.6	46%	0.463	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-64.8	132.2	172.1	0	0	0	0	0	109.5	F460 P470	A457-F460 HydrophobicContact CB-CE1 4.13Å; A457-F460 HydrophobicContact CB-CZ 3.89Å; A457-F460 WeakPolarHBondContact O-CE2 3.22Å; A457-F460 VanDerWaalsContact O-CZ 3.3Å; A457-F460 WeakPolarHBondContact O-CZ 3.45Å; A457-P470 HydrophobicContact CB-CB 3.81Å
458	Y	90.6	Very high	68	Low	43 Å²	43	84.5 Å²	84.5	17%	0.169	53%	0.529	C	S	.	.			trans	-125.4	1.6	-173.5	64.2	-95.8	0	0	0	113	P456 F473 L706 H707 L708 W737 G742 S744	P456-Y458 PolarHBondContact O-N 3.2Å; Y458-F473 HydrophobicContact CE1-CE2 4.26Å; Y458-F473 HydrophobicContact CE1-CZ 4.46Å; Y458-F473 HydrophobicContact CE2-CZ 4.04Å; Y458-F473 AromaticContact CZ-CE2 3.86Å; Y458-F473 AromaticContact CZ-CZ 3.79Å; Y458-F473 WeakPolarHBondContact OH-CE2 3.36Å; Y458-L706 CarbonylContact O-C 3.57Å; Y458-L706 WeakPolarHBondContact O-CA 3.42Å; Y458-H707 PolarHBondContact O-N 3.5Å; Y458-L708 HydrophobicContact CD1-CD2 4.17Å; Y458-L708 HydrophobicContact CD2-CD1 3.59Å; Y458-L708 HydrophobicContact CD2-CD2 4.01Å; Y458-L708 HydrophobicContact CD2-CG 3.63Å; Y458-L708 HydrophobicContact CE2-CD1 3.82Å; Y458-L708 HydrophobicContact CE2-CG 4.37Å; Y458-L708 HydrophobicContact CG-CD1 4.07Å; Y458-L708 HydrophobicContact CG-CD2 3.64Å; Y458-L708 HydrophobicContact CG-CG 3.8Å; Y458-W737 HydrophobicContact CD2-CZ3 4.03Å; Y458-W737 HydrophobicContact CE2-CZ3 4.14Å; Y458-G742 WeakPolarHBondContact CE2-O 3.49Å; Y458-S744 PolarHBondContact OH-N 3.07Å
459	S	92.8	Very high	70	Confident	3 Å²	3	81.1 Å²	81.1	2%	0.021	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	127.1	174.4	172.6	0	0	0	0	108.6	P470 V471 L706 Y741	S459-P470 WeakPolarHBondContact O-CA 3.15Å; S459-V471 PolarHBondContact O-N 2.93Å; S459-V471 WeakPolarHBondContact OG-CG2 3.47Å; S459-L706 VanDerWaalsContact OG-CD2 3.29Å; S459-L706 WeakPolarHBondContact OG-CD2 3.38Å; S459-Y741 PolarHBondContact OG-O 3.16Å
460	F	93.1	Very high	73	Confident	45 Å²	45	79.7 Å²	79.7	20%	0.197	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	131.7	-178	-58.1	-92.1	0	0	0	109.5	A457 M468 Q469 P470 Y704 Q705 H707	A457-F460 HydrophobicContact CB-CE1 4.13Å; A457-F460 HydrophobicContact CB-CZ 3.89Å; A457-F460 WeakPolarHBondContact O-CE2 3.22Å; A457-F460 VanDerWaalsContact O-CZ 3.3Å; A457-F460 WeakPolarHBondContact O-CZ 3.45Å; F460-M468 HydrophobicContact CB-CB 4.43Å; F460-Q469 CarbonylContact C-O 3.5Å; F460-Q469 VanDerWaalsContact CA-O 3.28Å; F460-Q469 WeakPolarHBondContact CA-O 3.42Å; F460-P470 HydrophobicContact CD1-CB 4.2Å; F460-P470 HydrophobicContact CE1-CB 4.16Å; F460-Y704 CarbonylContact O-C 3.54Å; F460-Y704 VanDerWaalsContact O-CA 3.3Å; F460-Y704 WeakPolarHBondContact O-CA 3.3Å; F460-Q705 PolarHBondContact N-O 3.15Å; F460-Q705 PolarHBondContact O-N 2.92Å; F460-H707 AromaticContact CD2-CE1 3.72Å; F460-H707 AromaticContact CD2-ND1 3.34Å; F460-H707 VanDerWaalsContact CD2-ND1 3.34Å; F460-H707 WeakPolarHBondContact CD2-ND1 3.38Å; F460-H707 AromaticContact CE2-CE1 4Å; F460-H707 AromaticContact CE2-ND1 3.38Å; F460-H707 WeakPolarHBondContact CE2-ND1 3.44Å
461	H	92.4	Very high	75.6	Confident	42 Å²	42	75.7 Å²	75.7	19%	0.194	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	128.9	162.5	-176.3	-98.4	0	0	0	108.1	S463 M468 Q469 V471 D702 Y704	H461-S463 PolarHBondContact CE1-OG 2.87Å; H461-S463 PolarHBondContact ND1-OG 3.04Å; H461-S463 VanDerWaalsContact ND1-OG 3.12Å; H461-M468 CarbonylContact O-C 3.6Å; H461-M468 WeakPolarHBondContact O-CA 3.49Å; H461-Q469 PolarHBondContact N-O 2.83Å; H461-Q469 PolarHBondContact O-N 3.2Å; H461-V471 HydrophobicContact CB-CG2 4.18Å; H461-D702 IonicContact CE1-OD1 3.34Å; H461-Y704 HydrophobicContact CB-CD1 4.13Å; H461-Y704 HydrophobicContact CB-CE1 3.98Å; H461-Y704 AromaticContact CD2-CE1 3.54Å; H461-Y704 AromaticContact CD2-CZ 3.82Å
462	V	90.4	Very high	78	Confident	14 Å²	14	74.7 Å²	74.7	9%	0.085	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	107.4	170.6	-161.6	0	0	0	0	107.1	Q467 M468 K703 Q705	V462-Q467 WeakPolarHBondContact CA-O 3.12Å; V462-M468 HydrophobicContact CG1-CG 4.16Å; V462-M468 HydrophobicContact CG2-CG 4.04Å; V462-K703 HydrophobicContact CB-CG 3.79Å; V462-K703 HydrophobicContact CG2-CG 4.13Å; V462-K703 PolarHBondContact N-O 2.88Å; V462-K703 PolarHBondContact O-N 2.88Å; V462-Q705 HydrophobicContact CG2-CB 4.09Å
463	S	84.7	Confident	80.9	Confident	40 Å²	40	72 Å²	72	28%	0.28	44%	0.439	S	S	.	.			trans	-73.7	166.4	178.2	-63.2	0	0	0	0	111.4	H461 D465 G466 Q467	H461-S463 PolarHBondContact CE1-OG 2.87Å; H461-S463 PolarHBondContact ND1-OG 3.04Å; H461-S463 VanDerWaalsContact ND1-OG 3.12Å; S463-D465 VanDerWaalsContact CB-OD1 3.25Å; S463-D465 WeakPolarHBondContact CB-OD1 3.3Å; S463-D465 PolarHBondContact O-N 3.26Å; S463-G466 PolarHBondContact O-N 3.42Å; S463-Q467 PolarHBondContact N-O 3.5Å; S463-Q467 VanDerWaalsContact N-O 3.11Å
464	A	78.7	Confident	83.1	Confident	75 Å²	75	70.6 Å²	70.6	62%	0.62	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-19.7	-179.8	0	0	0	0	0	115.7	P701	A464-P701 HydrophobicContact CB-CB 3.75Å; A464-P701 HydrophobicContact CB-CG 3.48Å; A464-P701 VanDerWaalsContact CB-CG 3.48Å
465	D	76.4	Confident	84.7	Confident	101 Å²	101	77.7 Å²	77.7	54%	0.54	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	1.3	176.6	68.1	-15.4	0	0	0	113.6	S463 Q467	S463-D465 VanDerWaalsContact CB-OD1 3.25Å; S463-D465 WeakPolarHBondContact CB-OD1 3.3Å; S463-D465 PolarHBondContact O-N 3.26Å; D465-Q467 VanDerWaalsContact C-N 3.34Å; D465-Q467 WeakPolarHBondContact OD1-CB 3.19Å; D465-Q467 PolarHBondContact OD1-N 3.35Å; D465-Q467 WeakPolarHBondContact OD2-CG 3.28Å; D465-Q467 PolarHBondContact OD2-NE2 2.84Å
466	G	77.1	Confident	85.8	Confident	50 Å²	50	71.8 Å²	71.8	52%	0.515	41%	0.412	S	S	.	.			trans	82	3.1	-177	0	0	0	0	0	114.8	S463 M468	S463-G466 PolarHBondContact O-N 3.42Å; G466-M468 PolarHBondContact O-N 3Å
467	Q	83.1	Confident	85.9	Confident	104 Å²	104	66.5 Å²	66.5	49%	0.486	38%	0.378	S	S	.	.			trans	-70.9	121.3	175.1	-73.5	-170	61.9	0	0	111.3	V462 S463 D465	V462-Q467 WeakPolarHBondContact CA-O 3.12Å; S463-Q467 PolarHBondContact N-O 3.5Å; S463-Q467 VanDerWaalsContact N-O 3.11Å; D465-Q467 VanDerWaalsContact C-N 3.34Å; D465-Q467 WeakPolarHBondContact OD1-CB 3.19Å; D465-Q467 PolarHBondContact OD1-N 3.35Å; D465-Q467 WeakPolarHBondContact OD2-CG 3.28Å; D465-Q467 PolarHBondContact OD2-NE2 2.84Å
468	M	86.8	Confident	85.7	Confident	111 Å²	111	68.5 Å²	68.5	55%	0.547	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	121.5	170.2	-60.8	-169.4	-74.1	0	0	110.1	F460 H461 V462 G466 Q705	F460-M468 HydrophobicContact CB-CB 4.43Å; H461-M468 CarbonylContact O-C 3.6Å; H461-M468 WeakPolarHBondContact O-CA 3.49Å; V462-M468 HydrophobicContact CG1-CG 4.16Å; V462-M468 HydrophobicContact CG2-CG 4.04Å; G466-M468 PolarHBondContact O-N 3Å; M468-Q705 PolarHBondContact SD-OE1 3.33Å
469	Q	87.9	Confident	85.2	Confident	103 Å²	103	69.7 Å²	69.7	48%	0.481	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135	176.1	-65.8	-64.4	-18.1	0	0	110.4	F460 H461 V471	F460-Q469 CarbonylContact C-O 3.5Å; F460-Q469 VanDerWaalsContact CA-O 3.28Å; F460-Q469 WeakPolarHBondContact CA-O 3.42Å; H461-Q469 PolarHBondContact N-O 2.83Å; H461-Q469 PolarHBondContact O-N 3.2Å; Q469-V471 PolarHBondContact O-N 2.99Å
470	P	91	Very high	84.8	Confident	67 Å²	67	71 Å²	71	44%	0.435	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	133.6	-179.1	28.3	-34.9	0	0	0	110.6	A457 S459 F460 P472	A457-P470 HydrophobicContact CB-CB 3.81Å; S459-P470 WeakPolarHBondContact O-CA 3.15Å; F460-P470 HydrophobicContact CD1-CB 4.2Å; F460-P470 HydrophobicContact CE1-CB 4.16Å; P470-P472 WeakPolarHBondContact O-CD 3.42Å
471	V	90.1	Very high	84.5	Confident	25 Å²	25	74.6 Å²	74.6	15%	0.152	44%	0.441	C	S	.	.			trans	-74.6	125.3	-171.2	-169.8	0	0	0	0	111.6	S459 H461 Q469 F473 Y704	S459-V471 PolarHBondContact O-N 2.93Å; S459-V471 WeakPolarHBondContact OG-CG2 3.47Å; H461-V471 HydrophobicContact CB-CG2 4.18Å; Q469-V471 PolarHBondContact O-N 2.99Å; V471-F473 HydrophobicContact CB-CD1 4.45Å; V471-F473 HydrophobicContact CB-CE1 4.27Å; V471-F473 HydrophobicContact CG1-CD1 4.45Å; V471-F473 PolarHBondContact O-N 2.9Å; V471-F473 VanDerWaalsContact O-N 3.15Å; V471-Y704 HydrophobicContact CG1-CE1 4.29Å; V471-Y704 HydrophobicContact CG2-CD1 3.67Å; V471-Y704 HydrophobicContact CG2-CE1 3.76Å
472	P	87.8	Confident	84.2	Confident	117 Å²	117	74 Å²	74	76%	0.76	45%	0.446	S	S	*	.			trans	-72.7	104.4	167.4	29.9	-32.5	0	0	0	109.5	P470	P470-P472 WeakPolarHBondContact O-CD 3.42Å
473	F	90.4	Very high	84.3	Confident	75 Å²	75	73.6 Å²	73.6	33%	0.329	44%	0.443	S	S	.	.			trans	-67.5	131.6	-178.8	-61.1	-48.3	0	0	0	112.1	Y458 V471 A477 Y741 A743	Y458-F473 HydrophobicContact CE1-CE2 4.26Å; Y458-F473 HydrophobicContact CE1-CZ 4.46Å; Y458-F473 HydrophobicContact CE2-CZ 4.04Å; Y458-F473 AromaticContact CZ-CE2 3.86Å; Y458-F473 AromaticContact CZ-CZ 3.79Å; Y458-F473 WeakPolarHBondContact OH-CE2 3.36Å; V471-F473 HydrophobicContact CB-CD1 4.45Å; V471-F473 HydrophobicContact CB-CE1 4.27Å; V471-F473 HydrophobicContact CG1-CD1 4.45Å; V471-F473 PolarHBondContact O-N 2.9Å; V471-F473 VanDerWaalsContact O-N 3.15Å; F473-A477 HydrophobicContact CB-CB 3.86Å; F473-A477 HydrophobicContact CG-CB 4.48Å; F473-Y741 AromaticContact CD1-CD2 3.86Å; F473-Y741 HydrophobicContact CD1-CD2 3.86Å; F473-Y741 HydrophobicContact CD1-CE2 4.35Å; F473-Y741 HydrophobicContact CE1-CD2 4.2Å; F473-A743 HydrophobicContact CD1-CB 3.75Å; F473-A743 HydrophobicContact CD2-CB 4.48Å; F473-A743 HydrophobicContact CE1-CB 3.7Å; F473-A743 HydrophobicContact CE2-CB 4.45Å; F473-A743 HydrophobicContact CG-CB 4.15Å; F473-A743 HydrophobicContact CZ-CB 4.07Å
474	P	85.9	Confident	84.7	Confident	53 Å²	53	71.7 Å²	71.7	34%	0.344	43%	0.43	S	S	.	.			trans	-71.2	164.5	172.7	31.9	-37.3	0	0	0	111.8	D476 A477 Y741	P474-D476 WeakPolarHBondContact CB-OD1 3.49Å; P474-D476 VanDerWaalsContact CG-OD1 3.29Å; P474-D476 WeakPolarHBondContact CG-OD1 3.49Å; P474-D476 PolarHBondContact O-N 2.9Å; P474-D476 VanDerWaalsContact O-N 3.15Å; P474-A477 HydrophobicContact CG-CB 4.26Å; P474-A477 WeakPolarHBondContact O-CB 3.42Å; P474-A477 PolarHBondContact O-N 3.33Å; P474-Y741 HydrophobicContact CG-CE1 3.84Å; P474-Y741 HydrophobicContact CG-CE2 4.43Å; P474-Y741 WeakPolarHBondContact CG-OH 3.44Å
475	H	75.5	Confident	85.2	Confident	201 Å²	201	76.3 Å²	76.3	93%	0.931	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-19.5	-175.4	-64.7	-67.1	0	0	0	114.7
476	D	83.4	Confident	85.9	Confident	70 Å²	70	75.9 Å²	75.9	37%	0.374	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-0.4	175.4	75.2	-63	0	0	0	113.9	P474 L478 A479 R738	P474-D476 WeakPolarHBondContact CB-OD1 3.49Å; P474-D476 VanDerWaalsContact CG-OD1 3.29Å; P474-D476 WeakPolarHBondContact CG-OD1 3.49Å; P474-D476 PolarHBondContact O-N 2.9Å; P474-D476 VanDerWaalsContact O-N 3.15Å; D476-L478 VanDerWaalsContact C-N 3.28Å; D476-L478 PolarHBondContact O-N 3.31Å; D476-A479 WeakPolarHBondContact CA-O 3.24Å; D476-R738 PolarHBondContact O-NE 2.67Å; D476-R738 IonicContact OD2-CZ 2.91Å; D476-R738 IonicContact OD2-NE 3.22Å; D476-R738 IonicContact OD2-NH2 2.62Å; D476-R738 PolarHBondContact OD2-NH2 3.07Å
477	A	80.3	Confident	86.8	Confident	2 Å²	2	74.4 Å²	74.4	2%	0.017	41%	0.409	C	S	.	.	S	Bend	trans	-62.8	-32	-172.3	0	0	0	0	0	114.3	F473 P474 R738 Y741 A743	F473-A477 HydrophobicContact CB-CB 3.86Å; F473-A477 HydrophobicContact CG-CB 4.48Å; P474-A477 HydrophobicContact CG-CB 4.26Å; P474-A477 WeakPolarHBondContact O-CB 3.42Å; P474-A477 PolarHBondContact O-N 3.33Å; A477-R738 WeakPolarHBondContact O-CB 3.24Å; A477-R738 WeakPolarHBondContact O-CD 3.48Å; A477-R738 VanDerWaalsContact O-CG 3.3Å; A477-R738 WeakPolarHBondContact O-CG 3.41Å; A477-Y741 WeakPolarHBondContact CA-OH 3.35Å; A477-Y741 HydrophobicContact CB-CE2 3.63Å; A477-A743 HydrophobicContact CB-CB 3.88Å
478	L	81.1	Confident	87.3	Confident	97 Å²	97	75.7 Å²	75.7	51%	0.508	41%	0.409	S	S	.	.	S	Bend	trans	-119.4	-6.1	-174.1	-60.3	178.8	0	0	0	113.3	D476 A743 S744	D476-L478 VanDerWaalsContact C-N 3.28Å; D476-L478 PolarHBondContact O-N 3.31Å; L478-A743 HydrophobicContact CD2-CB 3.85Å; L478-S744 WeakPolarHBondContact CD2-O 3.37Å
479	A	80.6	Confident	87.6	Confident	69 Å²	69	75.5 Å²	75.5	57%	0.57	41%	0.407	S	S	*	.	S	Bend	trans	-153.9	125	-179.8	0	0	0	0	0	110.6	D476	D476-A479 WeakPolarHBondContact CA-O 3.24Å
480	G	84.4	Confident	87.7	Confident	30 Å²	30	73.6 Å²	73.6	31%	0.309	40%	0.4	S	S	.	.	S	Bend	trans	178	169.9	177.2	0	0	0	0	0	113	G482 I483	G480-G482 PolarHBondContact O-N 3.43Å; G480-G482 VanDerWaalsContact O-N 3.15Å; G480-I483 WeakPolarHBondContact O-CB 2.99Å; G480-I483 PolarHBondContact O-N 3.3Å
481	P	86.4	Confident	87.6	Confident	120 Å²	120	71.2 Å²	71.2	78%	0.779	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	116.1	-178.9	-23.1	34.5	0	0	0	112	K723	P481-K723 PolarHBondContact O-NZ 3.27Å
482	G	85.8	Confident	87.7	Confident	29 Å²	29	72.9 Å²	72.9	30%	0.299	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	19	-174.9	0	0	0	0	0	114.7	G480	G480-G482 PolarHBondContact O-N 3.43Å; G480-G482 VanDerWaalsContact O-N 3.15Å
483	I	92.6	Very high	87.9	Confident	6 Å²	6	67.4 Å²	67.4	3%	0.031	36%	0.358	C	S	.	.			trans	-102.9	125.8	166.3	-52.2	-52.3	0	0	0	107.8	G480 K723 I745	G480-I483 WeakPolarHBondContact O-CB 2.99Å; G480-I483 PolarHBondContact O-N 3.3Å; I483-K723 HydrophobicContact CD1-CB 3.83Å; I483-K723 HydrophobicContact CD1-CD 4.3Å; I483-I745 HydrophobicContact CG2-CD1 3.99Å; I483-I745 HydrophobicContact CG2-CG1 4.21Å; I483-I745 HydrophobicContact CG2-CG2 4.01Å
484	P	93.4	Very high	88	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.006	37%	0.37	C	S	.	.			trans	-60.3	146.3	177.2	-25.7	35.3	0	0	0	112.8	W724 I745 F746 V780 Y782	P484-W724 HydrophobicContact CG-CD2 3.76Å; P484-W724 HydrophobicContact CG-CE3 4.09Å; P484-W724 HydrophobicContact CG-CG 4.31Å; P484-W724 HydrophobicContact CG-CH2 4.1Å; P484-W724 HydrophobicContact CG-CZ2 3.74Å; P484-W724 HydrophobicContact CG-CZ3 4.23Å; P484-I745 HydrophobicContact CB-CG2 4.27Å; P484-I745 WeakPolarHBondContact O-CG2 3.29Å; P484-F746 HydrophobicContact CB-CD1 4.1Å; P484-F746 HydrophobicContact CB-CE1 3.83Å; P484-F746 HydrophobicContact CG-CE1 4.28Å; P484-V780 HydrophobicContact CB-CG1 3.66Å; P484-V780 HydrophobicContact CG-CG1 3.53Å; P484-Y782 HydrophobicContact CG-CE1 3.85Å
485	R	89.9	Confident	88.3	Confident	171 Å²	171	65.4 Å²	65.4	65%	0.645	35%	0.354	S	S	*	.	S	Bend	trans	-93.5	-34.4	168.2	-70.9	-173.3	-72.8	151.6	-0	112.5	I781 Y782	R485-I781 PolarHBondContact N-O 2.89Å; R485-Y782 VanDerWaalsContact NE-C 3.3Å; R485-Y782 PolarHBondContact NE-O 3.13Å; R485-Y782 PolarHBondContact NE-OXT 3.28Å; R485-Y782 PolarHBondContact NH2-O 3.03Å; R485-Y782 PolarHBondContact NH2-OXT 2.88Å
486	H	91.4	Very high	89.1	Confident	92 Å²	92	57.8 Å²	57.8	43%	0.426	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	166	169.2	61.1	-77.2	0	0	0	111.4	I781	H486-I781 PolarHBondContact N-O 2.92Å; H486-I781 PolarHBondContact O-N 3.4Å
487	A	94.1	Very high	89.6	Confident	19 Å²	19	57.5 Å²	57.5	16%	0.157	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126	169.8	0	0	0	0	0	110.5	F746 Y778 E779	A487-F746 HydrophobicContact CB-CD2 4.15Å; A487-F746 HydrophobicContact CB-CE1 4.17Å; A487-F746 HydrophobicContact CB-CE2 3.56Å; A487-F746 HydrophobicContact CB-CZ 3.57Å; A487-Y778 HydrophobicContact CB-CD1 4.05Å; A487-Y778 HydrophobicContact CB-CG 4.39Å; A487-E779 CarbonylContact C-O 3.44Å; A487-E779 WeakPolarHBondContact CA-O 3.48Å
488	R	93.6	Very high	90.3	Very high	132 Å²	132	58.9 Å²	58.9	50%	0.498	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	116.8	178.3	175.9	168.8	75.5	166.6	0.8	110.1	I490 Y778 E779 I781	R488-I490 HydrophobicContact CG-CG2 4.24Å; R488-I490 PolarHBondContact O-N 3.32Å; R488-Y778 CarbonylContact O-C 3.59Å; R488-Y778 VanDerWaalsContact O-CA 3.29Å; R488-Y778 WeakPolarHBondContact O-CA 3.49Å; R488-E779 IonicContact CZ-OE2 3.32Å; R488-E779 PolarHBondContact N-O 3.49Å; R488-E779 IonicContact NE-OE2 3.97Å; R488-E779 PolarHBondContact NE-OE2 3.3Å; R488-E779 IonicContact NH2-OE1 3.92Å; R488-E779 IonicContact NH2-OE2 2.91Å; R488-E779 PolarHBondContact NH2-OE2 3.26Å; R488-E779 PolarHBondContact O-N 2.96Å; R488-I781 HydrophobicContact CB-CG1 4.34Å
489	Q	92.9	Very high	91.1	Very high	106 Å²	106	54.3 Å²	54.3	50%	0.495	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	124.2	170.1	-179	175	8.3	0	0	109.7	T492 T776 Y778	Q489-T492 PolarHBondContact NE2-OG1 3.48Å; Q489-T492 VanDerWaalsContact NE2-OG1 3.09Å; Q489-T776 HydrophobicContact CG-CG2 3.62Å; Q489-Y778 HydrophobicContact CB-CD1 4.03Å; Q489-Y778 HydrophobicContact CB-CE1 3.95Å
490	I	91.1	Very high	91.8	Very high	64 Å²	64	52.3 Å²	52.3	33%	0.328	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-48.3	-179.9	52.5	163.8	0	0	0	112.4	R488 Y765 V777 E779	R488-I490 HydrophobicContact CG-CG2 4.24Å; R488-I490 PolarHBondContact O-N 3.32Å; I490-Y765 HydrophobicContact CD1-CD1 4.12Å; I490-Y765 HydrophobicContact CD1-CE1 3.79Å; I490-V777 HydrophobicContact CD1-CG1 4.13Å; I490-V777 HydrophobicContact CG1-CB 4.32Å; I490-V777 HydrophobicContact CG1-CG1 4.1Å; I490-V777 VanDerWaalsContact CG1-O 3.32Å; I490-V777 WeakPolarHBondContact CG1-O 3.19Å; I490-V777 PolarHBondContact N-O 3.5Å; I490-E779 HydrophobicContact CD1-CB 4.27Å; I490-E779 HydrophobicContact CG1-CB 4.44Å; I490-E779 HydrophobicContact CG2-CB 3.93Å
491	N	89.8	Confident	92.3	Very high	17 Å²	17	51 Å²	51	9%	0.091	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	152.9	-179	-66	23	0	0	0	110.7	L493 V777	N491-L493 HydrophobicContact CB-CD2 4.38Å; N491-V777 HydrophobicContact CB-CB 4.09Å; N491-V777 HydrophobicContact CB-CG2 4.2Å; N491-V777 PolarHBondContact N-O 2.85Å; N491-V777 PolarHBondContact O-N 3.11Å
492	T	92.3	Very high	92.8	Very high	59 Å²	59	45.7 Å²	45.7	36%	0.362	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	124.6	167.8	-54.6	0	0	0	0	108	Q489 K774	Q489-T492 PolarHBondContact NE2-OG1 3.48Å; Q489-T492 VanDerWaalsContact NE2-OG1 3.09Å; T492-K774 HydrophobicContact CG2-CB 4.35Å; T492-K774 HydrophobicContact CG2-CD 4.05Å
493	L	91.6	Very high	93.3	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	101.5	-170.7	-52.7	177.3	0	0	0	108.8	N491 H495 V511 T513 W522 K774 A775 V777	N491-L493 HydrophobicContact CB-CD2 4.38Å; L493-H495 PolarHBondContact O-N 3.35Å; L493-V511 HydrophobicContact CD1-CB 4.14Å; L493-V511 HydrophobicContact CD1-CG1 3.79Å; L493-T513 HydrophobicContact CD1-CG2 4.35Å; L493-W522 HydrophobicContact CB-CD2 3.94Å; L493-W522 HydrophobicContact CB-CE3 4.21Å; L493-W522 HydrophobicContact CB-CG 4.35Å; L493-W522 HydrophobicContact CB-CH2 4.5Å; L493-W522 HydrophobicContact CB-CZ2 4.24Å; L493-W522 HydrophobicContact CB-CZ3 4.47Å; L493-W522 HydrophobicContact CD1-CB 4.09Å; L493-W522 HydrophobicContact CD1-CD2 4.31Å; L493-W522 HydrophobicContact CD1-CG 3.84Å; L493-W522 HydrophobicContact CD2-CB 4Å; L493-W522 HydrophobicContact CD2-CD2 3.99Å; L493-W522 HydrophobicContact CD2-CE3 3.97Å; L493-W522 HydrophobicContact CD2-CG 4.01Å; L493-W522 HydrophobicContact CG-CD2 4.3Å; L493-W522 HydrophobicContact CG-CG 4.29Å; L493-K774 CarbonylContact O-C 3.58Å; L493-K774 VanDerWaalsContact O-CA 3.3Å; L493-K774 WeakPolarHBondContact O-CA 3.07Å; L493-A775 HydrophobicContact CB-CB 4.22Å; L493-A775 HydrophobicContact CD1-CB 4.38Å; L493-A775 PolarHBondContact N-O 2.89Å; L493-A775 PolarHBondContact O-N 3.31Å; L493-V777 HydrophobicContact CD1-CG2 3.78Å; L493-V777 HydrophobicContact CG-CG2 4.14Å
494	S	92.6	Very high	93.4	Very high	84 Å²	84	45 Å²	45	59%	0.587	23%	0.234	S	C	*	.			trans	-77.1	81.8	-173.8	-59.6	0	0	0	0	112	G496 W522	S494-G496 VanDerWaalsContact C-N 3.31Å; S494-G496 PolarHBondContact O-N 2.89Å; S494-W522 WeakPolarHBondContact O-CH2 3.32Å
495	H	91.8	Very high	93.3	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.009	24%	0.236	C	C	.	.			trans	-63.4	-35.3	-179.9	-167.5	103.7	0	0	0	112.6	L493 E497 V499 T513 K520 W522 K773	L493-H495 PolarHBondContact O-N 3.35Å; H495-E497 PolarHBondContact O-N 2.9Å; H495-V499 HydrophobicContact CB-CG2 3.61Å; H495-T513 PolarHBondContact CE1-O 2.92Å; H495-T513 PolarHBondContact ND1-O 3.47Å; H495-T513 PolarHBondContact ND1-OG1 2.84Å; H495-K520 PolarHBondContact O-NZ 2.99Å; H495-W522 HydrophobicContact CB-CZ2 4.49Å; H495-K773 PolarHBondContact N-O 3.47Å
496	G	91.1	Very high	93.2	Very high	41 Å²	41	42.1 Å²	42.1	42%	0.423	23%	0.232	S	C	.	.	S	Bend	trans	86.5	-14.2	-178.3	0	0	0	0	0	114.2	S494 K773	S494-G496 VanDerWaalsContact C-N 3.31Å; S494-G496 PolarHBondContact O-N 2.89Å; G496-K773 PolarHBondContact N-O 3.43Å; G496-K773 WeakPolarHBondContact O-CD 3.3Å; G496-K773 PolarHBondContact O-NZ 2.83Å
497	E	94.4	Very high	93	Very high	64 Å²	64	42.9 Å²	42.9	30%	0.299	25%	0.245	S	C	.	.	S	Bend	trans	-129.6	158.9	169	-67.2	-56.3	148.9	0	0	110.4	H495 V499 K516 K773	H495-E497 PolarHBondContact O-N 2.9Å; E497-V499 PolarHBondContact O-N 3.42Å; E497-K516 HydrophobicContact CB-CB 4.01Å; E497-K516 HydrophobicContact CG-CB 3.98Å; E497-K773 CarbonylContact O-C 3.53Å; E497-K773 VanDerWaalsContact O-CA 3.27Å; E497-K773 WeakPolarHBondContact O-CA 3.43Å; E497-K773 IonicContact OE1-NZ 3.41Å; E497-K773 PolarHBondContact OE1-NZ 2.83Å; E497-K773 IonicContact OE2-NZ 2.88Å; E497-K773 PolarHBondContact OE2-NZ 3.37Å
498	V	95.7	Very high	92.7	Very high	32 Å²	32	43.9 Å²	43.9	19%	0.194	25%	0.249	C	C	.	.			trans	-56.8	127.7	-175.5	177.5	0	0	0	0	110.2	C500 G515 Y544 L755 K773	V498-C500 PolarHBondContact O-N 3.35Å; V498-G515 WeakPolarHBondContact O-CA 3.44Å; V498-Y544 HydrophobicContact CB-CE1 4.02Å; V498-L755 HydrophobicContact CG1-CD1 3.3Å; V498-K773 HydrophobicContact CG2-CG 4.18Å
499	V	96.6	Very high	92.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.248	C	C	.	.			trans	-92.9	88.3	-173.9	-174.3	0	0	0	0	110.4	H495 E497 A501 V502 T513 S756 G769 K774 A775	H495-V499 HydrophobicContact CB-CG2 3.61Å; E497-V499 PolarHBondContact O-N 3.42Å; V499-A501 WeakPolarHBondContact CG1-O 3.31Å; V499-V502 HydrophobicContact CG1-CG1 3.55Å; V499-T513 HydrophobicContact CG1-CG2 4.33Å; V499-S756 PolarHBondContact O-OG 2.98Å; V499-G769 CarbonylContact O-C 3.54Å; V499-K774 WeakPolarHBondContact CG2-O 3.41Å; V499-A775 HydrophobicContact CG1-CB 4.35Å
500	C	95.8	Very high	92.4	Very high	27 Å²	27	40.6 Å²	40.6	18%	0.182	23%	0.234	C	C	.	.			trans	-79.7	-17	-179.1	-66.1	0	0	0	0	113.6	V498 G514 I545 S756	V498-C500 PolarHBondContact O-N 3.35Å; C500-G514 PolarHBondContact N-O 3.15Å; C500-I545 VanDerWaalsContact CB-O 3.24Å; C500-I545 WeakPolarHBondContact CB-O 3.35Å; C500-S756 WeakPolarHBondContact O-CB 3.41Å
501	A	96.2	Very high	92.5	Very high	4 Å²	4	37.6 Å²	37.6	3%	0.033	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	141.2	175.4	0	0	0	0	0	111.9	V499 G514 I545	V499-A501 WeakPolarHBondContact CG1-O 3.31Å; A501-G514 PolarHBondContact N-O 2.84Å; A501-G514 PolarHBondContact O-N 2.91Å; A501-I545 HydrophobicContact CB-CG2 4.36Å
502	V	96.6	Very high	92.7	Very high	8 Å²	8	37.1 Å²	37.1	5%	0.048	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	146.5	169.4	-64.7	0	0	0	0	110.4	V499 Y512 T513 D758 V767 A775	V499-V502 HydrophobicContact CG1-CG1 3.55Å; V502-Y512 WeakPolarHBondContact CA-O 3.3Å; V502-T513 HydrophobicContact CG1-CG2 4.34Å; V502-D758 HydrophobicContact CG2-CB 4.23Å; V502-V767 HydrophobicContact CB-CG1 3.93Å; V502-V767 HydrophobicContact CG1-CG1 4Å; V502-V767 HydrophobicContact CG2-CB 4.44Å; V502-V767 HydrophobicContact CG2-CG1 4.22Å; V502-A775 HydrophobicContact CG1-CB 4.29Å
503	T	95.5	Very high	92.9	Very high	7 Å²	7	34.3 Å²	34.3	4%	0.043	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	155	161.4	-168.4	0	0	0	0	111.7	Y512 L550 L557 D758	T503-Y512 HydrophobicContact CG2-CD2 4.36Å; T503-Y512 HydrophobicContact CG2-CG 4.37Å; T503-Y512 PolarHBondContact N-O 2.87Å; T503-Y512 PolarHBondContact O-N 2.89Å; T503-L550 HydrophobicContact CG2-CD1 4.42Å; T503-L550 HydrophobicContact CG2-CG 4.26Å; T503-L557 HydrophobicContact CG2-CD1 4.19Å; T503-D758 WeakPolarHBondContact CA-OD2 3.46Å; T503-D758 WeakPolarHBondContact CB-OD2 3.5Å; T503-D758 PolarHBondContact OG1-OD2 2.97Å
504	I	94	Very high	93.1	Very high	13 Å²	13	34.2 Å²	34.2	7%	0.067	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	139.6	-178.1	-172.6	161.5	0	0	0	111.2	T508 V511 I524 D758 V767	I504-T508 HydrophobicContact CD1-CG2 4.19Å; I504-T508 HydrophobicContact CG1-CG2 4.47Å; I504-V511 HydrophobicContact CD1-CG2 4.12Å; I504-V511 HydrophobicContact CG1-CG2 4.12Å; I504-I524 HydrophobicContact CD1-CD1 3.88Å; I504-D758 PolarHBondContact N-OD2 3.21Å; I504-V767 HydrophobicContact CB-CG2 4.37Å; I504-V767 HydrophobicContact CD1-CG2 4.14Å
505	S	92	Very high	93.1	Very high	9 Å²	9	30.2 Å²	30.2	6%	0.063	17%	0.17	C	C	.	.			trans	-67.8	152.7	175.9	49	0	0	0	0	113.4	P507 T508 R509 H510	S505-P507 CarbonylContact C-O 3.57Å; S505-P507 CarbonylContact O-C 3.59Å; S505-P507 VanDerWaalsContact O-C 3.28Å; S505-P507 PolarHBondContact OG-O 2.94Å; S505-T508 WeakPolarHBondContact O-CA 3.25Å; S505-T508 PolarHBondContact O-N 2.92Å; S505-R509 PolarHBondContact OG-N 2.73Å; S505-H510 WeakPolarHBondContact CB-O 3.38Å; S505-H510 PolarHBondContact N-O 3.03Å; S505-H510 WeakPolarHBondContact OG-CA 3.41Å; S505-H510 PolarHBondContact OG-N 2.95Å; S505-H510 PolarHBondContact OG-O 3.47Å
506	N	88.4	Confident	93.2	Very high	103 Å²	103	32.9 Å²	32.9	55%	0.551	18%	0.181	S	C	*	.	S	Bend	trans	-117.5	116.8	167.1	-173.9	11.4	0	0	0	108.2	A761	N506-A761 HydrophobicContact CB-CB 4.28Å
507	P	87.4	Confident	93.1	Very high	107 Å²	107	31 Å²	31	70%	0.695	16%	0.161	S	C	*	.	S	Bend	cis	-67.8	158.9	-2.9	30.9	-37	0	0	0	113.1	S505 R509	S505-P507 CarbonylContact C-O 3.57Å; S505-P507 CarbonylContact O-C 3.59Å; S505-P507 VanDerWaalsContact O-C 3.28Å; S505-P507 PolarHBondContact OG-O 2.94Å; P507-R509 PolarHBondContact O-N 2.9Å
508	T	87.1	Confident	93.1	Very high	40 Å²	40	28.5 Å²	28.5	25%	0.245	15%	0.151	C	C	.	.	S	Bend	trans	-68.4	88.9	-172.4	54.9	0	0	0	0	112.9	I504 S505 Y765	I504-T508 HydrophobicContact CD1-CG2 4.19Å; I504-T508 HydrophobicContact CG1-CG2 4.47Å; S505-T508 WeakPolarHBondContact O-CA 3.25Å; S505-T508 PolarHBondContact O-N 2.92Å; T508-Y765 HydrophobicContact CG2-CD2 4.07Å
509	R	88.3	Confident	93	Very high	126 Å²	126	27 Å²	27	48%	0.475	14%	0.142	S	C	.	.	S	Bend	trans	-130.6	-44.4	176.8	-176.1	-179.3	170.8	-162.5	-10.5	113.4	S505 P507 D523 I524	S505-R509 PolarHBondContact OG-N 2.73Å; P507-R509 PolarHBondContact O-N 2.9Å; R509-D523 IonicContact CZ-OD2 3.5Å; R509-D523 IonicContact NE-OD1 3.96Å; R509-D523 IonicContact NE-OD2 3.85Å; R509-D523 PolarHBondContact NE-OD2 2.83Å; R509-D523 VanDerWaalsContact NE-OD2 3.16Å; R509-D523 IonicContact NH2-OD2 2.74Å; R509-D523 PolarHBondContact NH2-OD2 3.2Å; R509-I524 WeakPolarHBondContact O-CG1 3.34Å; R509-I524 PolarHBondContact O-N 3.27Å
510	H	91	Very high	92.9	Very high	44 Å²	44	28.8 Å²	28.8	20%	0.204	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	139.5	179.8	-52.3	129.3	0	0	0	111.7	S505 Y512 I521 W522	S505-H510 WeakPolarHBondContact CB-O 3.38Å; S505-H510 PolarHBondContact N-O 3.03Å; S505-H510 WeakPolarHBondContact OG-CA 3.41Å; S505-H510 PolarHBondContact OG-N 2.95Å; S505-H510 PolarHBondContact OG-O 3.47Å; H510-Y512 HydrophobicContact CB-CE2 3.79Å; H510-I521 HydrophobicContact CB-CG2 4.02Å; H510-W522 CarbonylContact C-O 3.53Å; H510-W522 VanDerWaalsContact CA-O 3.23Å; H510-W522 WeakPolarHBondContact CA-O 3.36Å
511	V	93.8	Very high	92.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140.5	167.8	172	0	0	0	0	108.9	L493 I504 T513 I521 W522 I524 V767	L493-V511 HydrophobicContact CD1-CB 4.14Å; L493-V511 HydrophobicContact CD1-CG1 3.79Å; I504-V511 HydrophobicContact CD1-CG2 4.12Å; I504-V511 HydrophobicContact CG1-CG2 4.12Å; V511-T513 HydrophobicContact CG1-CG2 4.21Å; V511-I521 WeakPolarHBondContact O-CA 3.16Å; V511-W522 PolarHBondContact N-O 3.18Å; V511-W522 PolarHBondContact O-N 3.34Å; V511-I524 HydrophobicContact CB-CG2 4.26Å; V511-I524 HydrophobicContact CG2-CD1 4.04Å; V511-I524 HydrophobicContact CG2-CG1 4.26Å; V511-I524 HydrophobicContact CG2-CG2 3.59Å; V511-V767 HydrophobicContact CG1-CG1 3.76Å; V511-V767 HydrophobicContact CG1-CG2 4.16Å; V511-V767 HydrophobicContact CG2-CG2 3.88Å
512	Y	94.9	Very high	92.6	Very high	8 Å²	8	27.9 Å²	27.9	3%	0.031	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.8	-179.3	-59.6	-103.6	0	0	0	107.9	V502 T503 H510 V519 K520 I521 L550 L557 L571	V502-Y512 WeakPolarHBondContact CA-O 3.3Å; T503-Y512 HydrophobicContact CG2-CD2 4.36Å; T503-Y512 HydrophobicContact CG2-CG 4.37Å; T503-Y512 PolarHBondContact N-O 2.87Å; T503-Y512 PolarHBondContact O-N 2.89Å; H510-Y512 HydrophobicContact CB-CE2 3.79Å; Y512-V519 HydrophobicContact CD1-CG1 4.41Å; Y512-K520 WeakPolarHBondContact CA-O 3.49Å; Y512-I521 HydrophobicContact CD1-CD1 4.14Å; Y512-I521 HydrophobicContact CD1-CG1 3.78Å; Y512-I521 HydrophobicContact CD1-CG2 4.41Å; Y512-I521 HydrophobicContact CE1-CD1 3.67Å; Y512-I521 HydrophobicContact CE1-CG1 3.78Å; Y512-I521 HydrophobicContact CE1-CG2 4.03Å; Y512-L550 HydrophobicContact CD2-CD1 4.04Å; Y512-L550 HydrophobicContact CE1-CD2 4.46Å; Y512-L550 HydrophobicContact CE2-CD1 3.77Å; Y512-L550 HydrophobicContact CE2-CD2 4.25Å; Y512-L550 HydrophobicContact CE2-CG 4.48Å; Y512-L557 HydrophobicContact CD1-CD1 4.29Å; Y512-L557 HydrophobicContact CD1-CD2 3.87Å; Y512-L557 HydrophobicContact CE1-CD2 4.35Å; Y512-L571 HydrophobicContact CE1-CD1 3.85Å; Y512-L571 HydrophobicContact CE1-CD2 4.27Å; Y512-L571 WeakPolarHBondContact OH-CD1 3.24Å
513	T	95.9	Very high	92.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	116.6	178.8	59.5	0	0	0	0	109.2	L493 H495 V499 V502 V511 V519 K520 W522 A775	L493-T513 HydrophobicContact CD1-CG2 4.35Å; H495-T513 PolarHBondContact CE1-O 2.92Å; H495-T513 PolarHBondContact ND1-O 3.47Å; H495-T513 PolarHBondContact ND1-OG1 2.84Å; V499-T513 HydrophobicContact CG1-CG2 4.33Å; V502-T513 HydrophobicContact CG1-CG2 4.34Å; V511-T513 HydrophobicContact CG1-CG2 4.21Å; T513-V519 CarbonylContact O-C 3.58Å; T513-V519 VanDerWaalsContact O-CA 3.32Å; T513-V519 WeakPolarHBondContact O-CA 3Å; T513-K520 PolarHBondContact N-O 2.92Å; T513-K520 PolarHBondContact O-N 2.92Å; T513-K520 PolarHBondContact OG1-O 3.49Å; T513-W522 PolarHBondContact OG1-NE1 3.07Å; T513-A775 HydrophobicContact CG2-CB 3.58Å
514	G	95.6	Very high	91.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	126.4	172.7	0	0	0	0	0	111.1	C500 A501	C500-G514 PolarHBondContact N-O 3.15Å; A501-G514 PolarHBondContact N-O 2.84Å; A501-G514 PolarHBondContact O-N 2.91Å
515	G	93.9	Very high	91.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.164	C	C	.	.			trans	-125.6	-142.4	174.6	0	0	0	0	0	111.8	V498 G517 C518 I545	V498-G515 WeakPolarHBondContact O-CA 3.44Å; G515-G517 PolarHBondContact O-N 3.03Å; G515-C518 PolarHBondContact N-O 2.83Å; G515-I545 PolarHBondContact O-N 3.07Å
516	K	93.7	Very high	90.2	Very high	57 Å²	57	36.3 Å²	36.3	25%	0.248	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-76.3	118.3	176.3	-157.7	174.2	175.6	-93.3	0	109.6	E497 C518 R541 D542 Y544	E497-K516 HydrophobicContact CB-CB 4.01Å; E497-K516 HydrophobicContact CG-CB 3.98Å; K516-C518 PolarHBondContact O-N 2.85Å; K516-R541 WeakPolarHBondContact CG-O 3.46Å; K516-R541 PolarHBondContact NZ-O 2.97Å; K516-D542 IonicContact NZ-OD1 2.62Å; K516-D542 PolarHBondContact NZ-OD1 3.02Å; K516-Y544 HydrophobicContact CB-CD1 4.01Å; K516-Y544 HydrophobicContact CB-CE1 3.76Å; K516-Y544 HydrophobicContact CD-CE1 4.29Å; K516-Y544 HydrophobicContact CG-CD1 4.36Å; K516-Y544 HydrophobicContact CG-CE1 4.06Å
517	G	89	Confident	88.9	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.01	20%	0.197	C	C	.	.	S	Bend	trans	67.5	-28	-179.7	0	0	0	0	0	117.6	G515 C538 L539 N540 N543	G515-G517 PolarHBondContact O-N 3.03Å; G517-C538 PolarHBondContact O-N 2.91Å; G517-L539 PolarHBondContact O-N 2.72Å; G517-N540 WeakPolarHBondContact CA-O 3.3Å; G517-N543 PolarHBondContact N-O 2.79Å
518	C	92.8	Very high	87.5	Confident	12 Å²	12	34.8 Å²	34.8	8%	0.081	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	148.8	-167.3	68	0	0	0	0	115.8	G515 K516 Q535 L536 D537 I545	G515-C518 PolarHBondContact N-O 2.83Å; K516-C518 PolarHBondContact O-N 2.85Å; C518-Q535 HydrophobicContact CB-CG 3.78Å; C518-L536 CarbonylContact C-O 3.56Å; C518-L536 WeakPolarHBondContact CA-O 3.5Å; C518-L536 VanDerWaalsContact CB-O 3.29Å; C518-L536 WeakPolarHBondContact CB-O 3.31Å; C518-D537 WeakPolarHBondContact CB-OD1 3.4Å; C518-I545 WeakPolarHBondContact O-CD1 3.39Å
519	V	95.1	Very high	86.5	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	130.5	165.7	-174.2	0	0	0	0	109	Y512 T513 Q535 L536 I545 L557 V559	Y512-V519 HydrophobicContact CD1-CG1 4.41Å; T513-V519 CarbonylContact O-C 3.58Å; T513-V519 VanDerWaalsContact O-CA 3.32Å; T513-V519 WeakPolarHBondContact O-CA 3Å; V519-Q535 CarbonylContact O-C 3.57Å; V519-Q535 WeakPolarHBondContact O-CA 3.43Å; V519-L536 HydrophobicContact CB-CB 4.14Å; V519-L536 HydrophobicContact CB-CD1 4.16Å; V519-L536 HydrophobicContact CB-CG 4.25Å; V519-L536 PolarHBondContact N-O 2.86Å; V519-L536 PolarHBondContact O-N 2.92Å; V519-I545 HydrophobicContact CG2-CD1 3.53Å; V519-I545 HydrophobicContact CG2-CG2 4.48Å; V519-L557 HydrophobicContact CG1-CD2 4.41Å; V519-V559 HydrophobicContact CG2-CG1 3.89Å; V519-V559 HydrophobicContact CG2-CG2 3.93Å
520	K	93.6	Very high	85.7	Confident	38 Å²	38	37 Å²	37	17%	0.165	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	135.1	172.2	-68.4	177.3	-175.1	178.3	0	110.4	H495 Y512 T513 W522 P532 Q535	H495-K520 PolarHBondContact O-NZ 2.99Å; Y512-K520 WeakPolarHBondContact CA-O 3.49Å; T513-K520 PolarHBondContact N-O 2.92Å; T513-K520 PolarHBondContact O-N 2.92Å; T513-K520 PolarHBondContact OG1-O 3.49Å; K520-W522 HydrophobicContact CB-CZ2 3.9Å; K520-W522 HydrophobicContact CD-CZ2 4.11Å; K520-W522 PolarHBondContact O-NE1 2.82Å; K520-P532 HydrophobicContact CB-CB 4.05Å; K520-P532 HydrophobicContact CD-CG 4.4Å; K520-P532 HydrophobicContact CG-CB 4.45Å; K520-Q535 HydrophobicContact CG-CB 4.43Å; K520-Q535 HydrophobicContact CG-CG 4.14Å
521	I	93	Very high	85.3	Confident	10 Å²	10	38.3 Å²	38.3	5%	0.051	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130.4	179.9	-49.9	-178.8	0	0	0	108.8	H510 V511 Y512 P532 I533 S534 L536 L571 P576	H510-I521 HydrophobicContact CB-CG2 4.02Å; V511-I521 WeakPolarHBondContact O-CA 3.16Å; Y512-I521 HydrophobicContact CD1-CD1 4.14Å; Y512-I521 HydrophobicContact CD1-CG1 3.78Å; Y512-I521 HydrophobicContact CD1-CG2 4.41Å; Y512-I521 HydrophobicContact CE1-CD1 3.67Å; Y512-I521 HydrophobicContact CE1-CG1 3.78Å; Y512-I521 HydrophobicContact CE1-CG2 4.03Å; I521-P532 CarbonylContact O-C 3.53Å; I521-P532 VanDerWaalsContact O-CA 3.22Å; I521-P532 WeakPolarHBondContact O-CA 3.2Å; I521-P532 WeakPolarHBondContact O-CB 3.22Å; I521-I533 HydrophobicContact CG2-CD1 4.29Å; I521-I533 PolarHBondContact O-N 2.88Å; I521-S534 PolarHBondContact N-O 3.24Å; I521-L536 HydrophobicContact CD1-CD1 4.3Å; I521-L536 HydrophobicContact CD1-CD2 4.06Å; I521-L536 HydrophobicContact CD1-CG 4.27Å; I521-L571 HydrophobicContact CD1-CD2 4.22Å; I521-P576 HydrophobicContact CD1-CG 4.08Å
522	W	91.9	Very high	85	Confident	3 Å²	3	40.6 Å²	40.6	1%	0.011	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	135.6	-175	-48.5	84.6	0	0	0	110.5	L493 S494 H495 H510 V511 T513 K520 P532	L493-W522 HydrophobicContact CB-CD2 3.94Å; L493-W522 HydrophobicContact CB-CE3 4.21Å; L493-W522 HydrophobicContact CB-CG 4.35Å; L493-W522 HydrophobicContact CB-CH2 4.5Å; L493-W522 HydrophobicContact CB-CZ2 4.24Å; L493-W522 HydrophobicContact CB-CZ3 4.47Å; L493-W522 HydrophobicContact CD1-CB 4.09Å; L493-W522 HydrophobicContact CD1-CD2 4.31Å; L493-W522 HydrophobicContact CD1-CG 3.84Å; L493-W522 HydrophobicContact CD2-CB 4Å; L493-W522 HydrophobicContact CD2-CD2 3.99Å; L493-W522 HydrophobicContact CD2-CE3 3.97Å; L493-W522 HydrophobicContact CD2-CG 4.01Å; L493-W522 HydrophobicContact CG-CD2 4.3Å; L493-W522 HydrophobicContact CG-CG 4.29Å; S494-W522 WeakPolarHBondContact O-CH2 3.32Å; H495-W522 HydrophobicContact CB-CZ2 4.49Å; H510-W522 CarbonylContact C-O 3.53Å; H510-W522 VanDerWaalsContact CA-O 3.23Å; H510-W522 WeakPolarHBondContact CA-O 3.36Å; V511-W522 PolarHBondContact N-O 3.18Å; V511-W522 PolarHBondContact O-N 3.34Å; T513-W522 PolarHBondContact OG1-NE1 3.07Å; K520-W522 HydrophobicContact CB-CZ2 3.9Å; K520-W522 HydrophobicContact CD-CZ2 4.11Å; K520-W522 PolarHBondContact O-NE1 2.82Å; W522-P532 HydrophobicContact CD2-CB 4.22Å; W522-P532 HydrophobicContact CE3-CB 4.17Å; W522-P532 HydrophobicContact CH2-CB 4.29Å; W522-P532 HydrophobicContact CH2-CG 4.37Å; W522-P532 HydrophobicContact CZ2-CB 4.34Å; W522-P532 HydrophobicContact CZ3-CB 4.21Å; W522-P532 HydrophobicContact CZ3-CG 4.44Å
523	D	89.8	Confident	84.6	Confident	7 Å²	7	44.5 Å²	44.5	4%	0.037	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	117.7	170.7	-156.7	-33.8	0	0	0	109.1	R509 S525 I533	R509-D523 IonicContact CZ-OD2 3.5Å; R509-D523 IonicContact NE-OD1 3.96Å; R509-D523 IonicContact NE-OD2 3.85Å; R509-D523 PolarHBondContact NE-OD2 2.83Å; R509-D523 VanDerWaalsContact NE-OD2 3.16Å; R509-D523 IonicContact NH2-OD2 2.74Å; R509-D523 PolarHBondContact NH2-OD2 3.2Å; D523-S525 VanDerWaalsContact OD1-CB 3.28Å; D523-S525 WeakPolarHBondContact OD1-CB 3.44Å; D523-S525 PolarHBondContact OD1-N 2.83Å; D523-S525 PolarHBondContact OD1-OG 3.38Å; D523-S525 PolarHBondContact OD2-OG 2.8Å; D523-I533 HydrophobicContact CB-CD1 3.73Å; D523-I533 HydrophobicContact CB-CG1 4.14Å
524	I	86.4	Confident	84.1	Confident	17 Å²	17	46.2 Å²	46.2	9%	0.087	27%	0.27	C	S	.	.	S	Bend	trans	-92.9	-8.3	174.9	57.4	159.9	0	0	0	112.7	I504 R509 V511 Q526 V777	I504-I524 HydrophobicContact CD1-CD1 3.88Å; R509-I524 WeakPolarHBondContact O-CG1 3.34Å; R509-I524 PolarHBondContact O-N 3.27Å; V511-I524 HydrophobicContact CB-CG2 4.26Å; V511-I524 HydrophobicContact CG2-CD1 4.04Å; V511-I524 HydrophobicContact CG2-CG1 4.26Å; V511-I524 HydrophobicContact CG2-CG2 3.59Å; I524-Q526 PolarHBondContact O-N 2.59Å; I524-V777 HydrophobicContact CG2-CG2 4.26Å
525	S	81	Confident	83.9	Confident	71 Å²	71	50.5 Å²	50.5	50%	0.497	29%	0.29	S	S	.	.	S	Bend	trans	-72.2	-11.9	175.4	71.5	0	0	0	0	113.7	D523	D523-S525 VanDerWaalsContact OD1-CB 3.28Å; D523-S525 WeakPolarHBondContact OD1-CB 3.44Å; D523-S525 PolarHBondContact OD1-N 2.83Å; D523-S525 PolarHBondContact OD1-OG 3.38Å; D523-S525 PolarHBondContact OD2-OG 2.8Å
526	Q	71.9	Confident	83.7	Confident	119 Å²	119	50.6 Å²	50.6	56%	0.556	29%	0.291	S	S	*	.	S	Bend	trans	-120	98.7	178.3	-67.7	-176.9	69.8	0	0	110.5	I524 G528 S529	I524-Q526 PolarHBondContact O-N 2.59Å; Q526-G528 PolarHBondContact O-N 2.9Å; Q526-S529 PolarHBondContact O-N 2.77Å; Q526-S529 VanDerWaalsContact O-N 3.09Å
527	P	60.6	Low	83.5	Confident	114 Å²	114	51 Å²	51	74%	0.74	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	7	-175.8	-26.1	36	0	0	0	117.3
528	G	58.8	Low	83.1	Confident	63 Å²	63	51.6 Å²	51.6	65%	0.649	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-11	174.1	0	0	0	0	0	115.2	Q526 K530	Q526-G528 PolarHBondContact O-N 2.9Å; G528-K530 PolarHBondContact O-N 3.08Å
529	S	66.6	Low	82.5	Confident	34 Å²	34	52 Å²	52	24%	0.238	30%	0.3	C	S	.	.			trans	-76.4	98	-173.2	-167.2	0	0	0	0	112.3	Q526 S531	Q526-S529 PolarHBondContact O-N 2.77Å; Q526-S529 VanDerWaalsContact O-N 3.09Å; S529-S531 PolarHBondContact OG-O 3.34Å; S529-S531 VanDerWaalsContact OG-O 3.1Å
530	K	71.5	Confident	81.9	Confident	179 Å²	179	56.8 Å²	56.8	78%	0.778	33%	0.326	S	S	*	.			trans	-89.4	-0.5	173.5	-62.7	-174.7	-178.3	-177.8	0	113.9	G528	G528-K530 PolarHBondContact O-N 3.08Å
531	S	81.8	Confident	81.2	Confident	72 Å²	72	63 Å²	63	50%	0.503	35%	0.349	S	S	.	.	S	Bend	trans	-109.7	147.4	177.7	48	0	0	0	0	111.1	S529	S529-S531 PolarHBondContact OG-O 3.34Å; S529-S531 VanDerWaalsContact OG-O 3.1Å
532	P	87.1	Confident	81	Confident	48 Å²	48	67.5 Å²	67.5	31%	0.312	37%	0.373	S	S	.	.			trans	-69.7	146.1	169	31.9	-34.8	0	0	0	110.3	K520 I521 W522 S534	K520-P532 HydrophobicContact CB-CB 4.05Å; K520-P532 HydrophobicContact CD-CG 4.4Å; K520-P532 HydrophobicContact CG-CB 4.45Å; I521-P532 CarbonylContact O-C 3.53Å; I521-P532 VanDerWaalsContact O-CA 3.22Å; I521-P532 WeakPolarHBondContact O-CA 3.2Å; I521-P532 WeakPolarHBondContact O-CB 3.22Å; W522-P532 HydrophobicContact CD2-CB 4.22Å; W522-P532 HydrophobicContact CE3-CB 4.17Å; W522-P532 HydrophobicContact CH2-CB 4.29Å; W522-P532 HydrophobicContact CH2-CG 4.37Å; W522-P532 HydrophobicContact CZ2-CB 4.34Å; W522-P532 HydrophobicContact CZ3-CB 4.21Å; W522-P532 HydrophobicContact CZ3-CG 4.44Å; P532-S534 VanDerWaalsContact C-N 3.33Å
533	I	86.4	Confident	81	Confident	89 Å²	89	69.5 Å²	69.5	46%	0.456	38%	0.384	S	S	.	.	S	Bend	trans	-70.7	-36	172.5	-35.9	171	0	0	0	110.1	I521 D523	I521-I533 HydrophobicContact CG2-CD1 4.29Å; I521-I533 PolarHBondContact O-N 2.88Å; D523-I533 HydrophobicContact CB-CD1 3.73Å; D523-I533 HydrophobicContact CB-CG1 4.14Å
534	S	86	Confident	81.2	Confident	36 Å²	36	72.2 Å²	72.2	25%	0.252	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	153.7	-172.8	-68	0	0	0	0	110.5	I521 P532	I521-S534 PolarHBondContact N-O 3.24Å; P532-S534 VanDerWaalsContact C-N 3.33Å
535	Q	90.3	Very high	81.7	Confident	91 Å²	91	71.4 Å²	71.4	43%	0.425	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	132.6	174.4	-177.8	175.2	-51.9	0	0	108.5	C518 V519 K520 D537	C518-Q535 HydrophobicContact CB-CG 3.78Å; V519-Q535 CarbonylContact O-C 3.57Å; V519-Q535 WeakPolarHBondContact O-CA 3.43Å; K520-Q535 HydrophobicContact CG-CB 4.43Å; K520-Q535 HydrophobicContact CG-CG 4.14Å; Q535-D537 PolarHBondContact NE2-OD1 2.85Å
536	L	89.9	Confident	82.4	Confident	2 Å²	2	72.2 Å²	72.2	1%	0.01	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	104.9	175.3	-43.1	-175.5	0	0	0	106.5	C518 V519 I521 C538 L557 W569 P576	C518-L536 CarbonylContact C-O 3.56Å; C518-L536 WeakPolarHBondContact CA-O 3.5Å; C518-L536 VanDerWaalsContact CB-O 3.29Å; C518-L536 WeakPolarHBondContact CB-O 3.31Å; V519-L536 HydrophobicContact CB-CB 4.14Å; V519-L536 HydrophobicContact CB-CD1 4.16Å; V519-L536 HydrophobicContact CB-CG 4.25Å; V519-L536 PolarHBondContact N-O 2.86Å; V519-L536 PolarHBondContact O-N 2.92Å; I521-L536 HydrophobicContact CD1-CD1 4.3Å; I521-L536 HydrophobicContact CD1-CD2 4.06Å; I521-L536 HydrophobicContact CD1-CG 4.27Å; L536-C538 VanDerWaalsContact CB-SG 3.59Å; L536-C538 PolarHBondContact O-N 2.84Å; L536-C538 PolarHBondContact O-SG 3.36Å; L536-L557 HydrophobicContact CD1-CD2 3.67Å; L536-W569 HydrophobicContact CB-CD2 4.19Å; L536-W569 HydrophobicContact CB-CE3 4.22Å; L536-W569 HydrophobicContact CB-CH2 3.89Å; L536-W569 HydrophobicContact CB-CZ2 3.84Å; L536-W569 HydrophobicContact CB-CZ3 4.08Å; L536-W569 HydrophobicContact CD1-CB 4.47Å; L536-W569 HydrophobicContact CD1-CD2 3.98Å; L536-W569 HydrophobicContact CD1-CE3 4.2Å; L536-W569 HydrophobicContact CD1-CG 4.09Å; L536-W569 HydrophobicContact CD2-CD2 4.41Å; L536-W569 HydrophobicContact CD2-CE3 3.81Å; L536-W569 HydrophobicContact CD2-CH2 4.49Å; L536-W569 HydrophobicContact CD2-CZ3 3.87Å; L536-W569 HydrophobicContact CG-CD2 4.42Å; L536-W569 HydrophobicContact CG-CE3 4.3Å; L536-W569 HydrophobicContact CG-CZ3 4.46Å; L536-P576 HydrophobicContact CD2-CB 3.33Å; L536-P576 HydrophobicContact CD2-CG 3.81Å
537	D	89.2	Confident	83.5	Confident	66 Å²	66	67.2 Å²	67.2	35%	0.353	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	102.5	170.4	-81.5	15.1	0	0	0	107.1	C518 Q535 R541 W569	C518-D537 WeakPolarHBondContact CB-OD1 3.4Å; Q535-D537 PolarHBondContact NE2-OD1 2.85Å; D537-R541 IonicContact OD2-CZ 3.64Å; D537-R541 IonicContact OD2-NE 3.72Å; D537-R541 PolarHBondContact OD2-NE 3.41Å; D537-R541 IonicContact OD2-NH2 2.76Å; D537-R541 PolarHBondContact OD2-NH2 2.69Å; D537-W569 WeakPolarHBondContact O-CZ2 3.1Å
538	C	81.8	Confident	85.2	Confident	13 Å²	13	61.9 Å²	61.9	9%	0.088	33%	0.326	C	S	.	.			trans	-103.2	-36.8	-167.5	-58.5	0	0	0	0	113.4	G517 L536 I545 V559 T567 W569	G517-C538 PolarHBondContact O-N 2.91Å; L536-C538 VanDerWaalsContact CB-SG 3.59Å; L536-C538 PolarHBondContact O-N 2.84Å; L536-C538 PolarHBondContact O-SG 3.36Å; C538-I545 HydrophobicContact CB-CD1 4.17Å; C538-V559 HydrophobicContact CB-CG1 4.07Å; C538-T567 WeakPolarHBondContact O-CG2 3.34Å; C538-W569 HydrophobicContact CB-CZ2 4.42Å; C538-W569 PolarHBondContact SG-NE1 2.92Å
539	L	80.3	Confident	86.9	Confident	19 Å²	19	62 Å²	62	10%	0.099	31%	0.308	C	S	.	.	S	Bend	trans	-130	173.6	-174.8	-61.3	-178.5	0	0	0	109.4	G517 I545 A563	G517-L539 PolarHBondContact O-N 2.72Å; L539-I545 HydrophobicContact CD1-CG1 4.07Å; L539-A563 HydrophobicContact CD1-CB 4.23Å; L539-A563 HydrophobicContact CD2-CB 3.65Å; L539-A563 HydrophobicContact CG-CB 4.47Å
540	N	81.4	Confident	88.2	Confident	102 Å²	102	61.6 Å²	61.6	55%	0.545	30%	0.303	S	S	.	.			trans	-55.3	144.8	168.7	-175.2	30.7	0	0	0	110.5	G517 D542 N543	G517-N540 WeakPolarHBondContact CA-O 3.3Å; N540-D542 PolarHBondContact O-N 2.78Å; N540-N543 PolarHBondContact O-N 3.06Å; N540-N543 VanDerWaalsContact O-N 3.07Å
541	R	80	Confident	89.2	Confident	167 Å²	167	54 Å²	54	63%	0.63	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	4.4	-172.8	-69.5	-175.9	169.9	-170.6	-3.2	114.7	K516 D537	K516-R541 WeakPolarHBondContact CG-O 3.46Å; K516-R541 PolarHBondContact NZ-O 2.97Å; D537-R541 IonicContact OD2-CZ 3.64Å; D537-R541 IonicContact OD2-NE 3.72Å; D537-R541 PolarHBondContact OD2-NE 3.41Å; D537-R541 IonicContact OD2-NH2 2.76Å; D537-R541 PolarHBondContact OD2-NH2 2.69Å
542	D	87.7	Confident	89.5	Confident	105 Å²	105	54.8 Å²	54.8	56%	0.561	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-15.7	173.4	-68.5	-53.4	0	0	0	115.2	K516 N540	K516-D542 IonicContact NZ-OD1 2.62Å; K516-D542 PolarHBondContact NZ-OD1 3.02Å; N540-D542 PolarHBondContact O-N 2.78Å
543	N	93.1	Very high	89.4	Confident	46 Å²	46	56.4 Å²	56.4	25%	0.246	28%	0.281	C	S	.	.	S	Bend	trans	-100.6	135.5	-169.1	-54.1	27.3	0	0	0	109.6	G517 N540 E562	G517-N543 PolarHBondContact N-O 2.79Å; N540-N543 PolarHBondContact O-N 3.06Å; N540-N543 VanDerWaalsContact O-N 3.07Å; N543-E562 HydrophobicContact CB-CB 4.09Å; N543-E562 WeakPolarHBondContact CB-O 3.3Å; N543-E562 PolarHBondContact ND2-O 3.46Å
544	Y	94.4	Very high	89.3	Confident	63 Å²	63	53.3 Å²	53.3	25%	0.247	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-81.2	141.3	178.5	-69.8	-85.2	0	0	0	112.5	V498 K516 G561 E562	V498-Y544 HydrophobicContact CB-CE1 4.02Å; K516-Y544 HydrophobicContact CB-CD1 4.01Å; K516-Y544 HydrophobicContact CB-CE1 3.76Å; K516-Y544 HydrophobicContact CD-CE1 4.29Å; K516-Y544 HydrophobicContact CG-CD1 4.36Å; K516-Y544 HydrophobicContact CG-CE1 4.06Å; Y544-G561 CarbonylContact O-C 3.57Å; Y544-G561 VanDerWaalsContact O-CA 3.3Å; Y544-G561 WeakPolarHBondContact O-CA 3.27Å; Y544-E562 WeakPolarHBondContact CB-OE2 3.31Å; Y544-E562 WeakPolarHBondContact CD2-OE2 3.29Å; Y544-E562 PolarHBondContact N-OE2 3.42Å; Y544-E562 PolarHBondContact O-N 2.8Å
545	I	96	Very high	89.4	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	120.2	167.3	-64	176.9	0	0	0	107.9	C500 A501 G515 C518 V519 C538 L539 V559	C500-I545 VanDerWaalsContact CB-O 3.24Å; C500-I545 WeakPolarHBondContact CB-O 3.35Å; A501-I545 HydrophobicContact CB-CG2 4.36Å; G515-I545 PolarHBondContact O-N 3.07Å; C518-I545 WeakPolarHBondContact O-CD1 3.39Å; V519-I545 HydrophobicContact CG2-CD1 3.53Å; V519-I545 HydrophobicContact CG2-CG2 4.48Å; C538-I545 HydrophobicContact CB-CD1 4.17Å; L539-I545 HydrophobicContact CD1-CG1 4.07Å; I545-V559 HydrophobicContact CB-CG1 4.49Å; I545-V559 HydrophobicContact CD1-CG1 3.82Å; I545-V559 HydrophobicContact CG1-CG1 4.12Å; I545-V559 HydrophobicContact CG2-CG1 3.6Å
546	R	95.7	Very high	89.4	Confident	88 Å²	88	55.2 Å²	55.2	33%	0.332	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-24.5	-172.6	-58.1	-63.9	-66.3	-93.1	-10.9	112.7	G560 E562 C589 Y590	R546-G560 PolarHBondContact N-O 3.15Å; R546-E562 WeakPolarHBondContact CD-OE1 3.46Å; R546-E562 HydrophobicContact CG-CG 4.08Å; R546-E562 IonicContact CZ-OE1 3.4Å; R546-E562 IonicContact NE-OE1 3.14Å; R546-E562 IonicContact NH1-OE1 2.61Å; R546-E562 PolarHBondContact NH1-OE1 3.11Å; R546-C589 WeakPolarHBondContact CB-O 3.26Å; R546-Y590 CarbonylContact C-O 3.48Å; R546-Y590 WeakPolarHBondContact CB-O 3.35Å; R546-Y590 HydrophobicContact CG-CD1 4.44Å
547	S	95.7	Very high	89.6	Confident	14 Å²	14	55.1 Å²	55.1	10%	0.098	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	141.7	173.2	-140.7	0	0	0	0	111.6	G560 L592	S547-G560 PolarHBondContact N-O 3.4Å; S547-G560 PolarHBondContact O-N 3.37Å; S547-G560 VanDerWaalsContact O-O 3.05Å; S547-L592 PolarHBondContact OG-N 3.36Å
548	C	95	Very high	89.9	Confident	2 Å²	2	52 Å²	52	1%	0.014	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	136.1	166.5	56.9	0	0	0	0	109	L557 I558 V559	C548-L557 HydrophobicContact CB-CD1 4.29Å; C548-I558 CarbonylContact C-O 3.28Å; C548-I558 VanDerWaalsContact CA-O 3.27Å; C548-I558 WeakPolarHBondContact CA-O 3.39Å; C548-V559 HydrophobicContact CB-CG2 4.33Å
549	K	95.1	Very high	90.6	Very high	66 Å²	66	51.3 Å²	51.3	29%	0.287	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	132	-178.2	-64.8	-64.6	178.4	-173.2	0	110.1	I558 L592 I594	K549-I558 PolarHBondContact N-O 2.99Å; K549-I558 PolarHBondContact O-N 3.15Å; K549-L592 WeakPolarHBondContact CE-O 3.28Å; K549-L592 HydrophobicContact CG-CB 3.93Å; K549-L592 WeakPolarHBondContact CG-O 3.17Å; K549-I594 HydrophobicContact CB-CD1 4.24Å; K549-I594 HydrophobicContact CB-CG1 3.79Å
550	L	93.9	Very high	91.3	Very high	25 Å²	25	50.4 Å²	50.4	13%	0.131	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	147.8	169.9	-69.3	165.5	0	0	0	110	T503 Y512 T556 L557 L571	T503-L550 HydrophobicContact CG2-CD1 4.42Å; T503-L550 HydrophobicContact CG2-CG 4.26Å; Y512-L550 HydrophobicContact CD2-CD1 4.04Å; Y512-L550 HydrophobicContact CE1-CD2 4.46Å; Y512-L550 HydrophobicContact CE2-CD1 3.77Å; Y512-L550 HydrophobicContact CE2-CD2 4.25Å; Y512-L550 HydrophobicContact CE2-CG 4.48Å; L550-T556 WeakPolarHBondContact CA-O 3.47Å; L550-L557 HydrophobicContact CD2-CB 3.94Å; L550-L557 HydrophobicContact CD2-CD1 3.59Å; L550-L557 HydrophobicContact CD2-CG 4.37Å; L550-L557 HydrophobicContact CG-CD1 3.8Å; L550-L571 HydrophobicContact CD2-CD1 3.57Å
551	L	92.3	Very high	91.9	Very high	19 Å²	19	45.6 Å²	45.6	10%	0.099	22%	0.217	C	C	.	.			trans	-71.3	155.2	162	-90	64.6	0	0	0	109.8	D553 G554 T556 I558 I594 A598 L615	L551-D553 WeakPolarHBondContact CB-OD1 3.47Å; L551-D553 PolarHBondContact O-N 2.87Å; L551-G554 PolarHBondContact O-N 3.45Å; L551-T556 HydrophobicContact CD1-CG2 4.07Å; L551-T556 HydrophobicContact CD2-CG2 4.32Å; L551-T556 PolarHBondContact N-O 2.84Å; L551-I558 HydrophobicContact CD1-CD1 3.98Å; L551-I558 HydrophobicContact CD1-CG1 3.97Å; L551-I594 HydrophobicContact CD1-CD1 4.38Å; L551-I594 HydrophobicContact CD1-CG2 4.3Å; L551-I594 HydrophobicContact CG-CG2 4.26Å; L551-A598 HydrophobicContact CD2-CB 4.18Å; L551-A598 HydrophobicContact CG-CB 4.3Å; L551-L615 HydrophobicContact CD1-CD1 4.22Å; L551-L615 HydrophobicContact CD2-CD1 4.36Å
552	P	87.4	Confident	92.6	Very high	89 Å²	89	40.4 Å²	40.4	58%	0.578	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-15.1	175.7	-26.9	34.9	0	0	0	115.6	G554 A598	P552-G554 VanDerWaalsContact C-N 3.33Å; P552-A598 HydrophobicContact CG-CB 4.28Å
553	D	85.3	Confident	92.8	Very high	83 Å²	83	36.2 Å²	36.2	44%	0.444	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-12.5	175.5	73.6	-7.3	0	0	0	114.1	L551 R555 T556	L551-D553 WeakPolarHBondContact CB-OD1 3.47Å; L551-D553 PolarHBondContact O-N 2.87Å; D553-R555 PolarHBondContact O-N 2.79Å; D553-R555 PolarHBondContact OD1-N 3.33Å; D553-T556 PolarHBondContact OD1-N 3.45Å
554	G	84.6	Confident	92.8	Very high	24 Å²	24	36.4 Å²	36.4	25%	0.247	19%	0.185	C	C	.	.	S	Bend	trans	67.2	4.9	-174.7	0	0	0	0	0	115	L551 P552	L551-G554 PolarHBondContact O-N 3.45Å; P552-G554 VanDerWaalsContact C-N 3.33Å
555	R	87.7	Confident	92.7	Very high	156 Å²	156	35 Å²	35	59%	0.589	18%	0.183	S	C	*	.	S	Bend	trans	-105.5	-21	-174.7	-61.2	172.5	-175.4	-159.9	-0.5	113.3	D553 L571 A572	D553-R555 PolarHBondContact O-N 2.79Å; D553-R555 PolarHBondContact OD1-N 3.33Å; R555-L571 WeakPolarHBondContact O-CA 3.28Å; R555-L571 VanDerWaalsContact O-CB 3.29Å; R555-L571 WeakPolarHBondContact O-CB 3.38Å; R555-L571 PolarHBondContact O-N 3.2Å; R555-A572 HydrophobicContact CB-CB 4.31Å; R555-A572 HydrophobicContact CG-CB 4.36Å
556	T	91.9	Very high	92.6	Very high	10 Å²	10	35.1 Å²	35.1	6%	0.061	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.5	177.7	-50.2	0	0	0	0	110.3	L550 L551 D553 I568 W569	L550-T556 WeakPolarHBondContact CA-O 3.47Å; L551-T556 HydrophobicContact CD1-CG2 4.07Å; L551-T556 HydrophobicContact CD2-CG2 4.32Å; L551-T556 PolarHBondContact N-O 2.84Å; D553-T556 PolarHBondContact OD1-N 3.45Å; T556-I568 HydrophobicContact CG2-CG2 3.45Å; T556-I568 VanDerWaalsContact CG2-CG2 3.45Å; T556-W569 WeakPolarHBondContact CA-O 3.31Å
557	L	94.1	Very high	92.5	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	130.8	171.8	-179.3	77.9	0	0	0	109.3	T503 Y512 V519 L536 C548 L550 V559 W569 L571	T503-L557 HydrophobicContact CG2-CD1 4.19Å; Y512-L557 HydrophobicContact CD1-CD1 4.29Å; Y512-L557 HydrophobicContact CD1-CD2 3.87Å; Y512-L557 HydrophobicContact CE1-CD2 4.35Å; V519-L557 HydrophobicContact CG1-CD2 4.41Å; L536-L557 HydrophobicContact CD1-CD2 3.67Å; C548-L557 HydrophobicContact CB-CD1 4.29Å; L550-L557 HydrophobicContact CD2-CB 3.94Å; L550-L557 HydrophobicContact CD2-CD1 3.59Å; L550-L557 HydrophobicContact CD2-CG 4.37Å; L550-L557 HydrophobicContact CG-CD1 3.8Å; L557-V559 HydrophobicContact CD2-CG2 3.7Å; L557-V559 HydrophobicContact CG-CG2 3.9Å; L557-W569 HydrophobicContact CB-CB 4.31Å; L557-W569 PolarHBondContact N-O 3.45Å; L557-W569 PolarHBondContact O-N 3.4Å; L557-L571 HydrophobicContact CB-CD1 3.93Å; L557-L571 HydrophobicContact CB-CG 4.37Å
558	I	95.5	Very high	92.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	134.4	170.7	-51	-167.2	0	0	0	108.8	C548 K549 L551 I568 L592 I594 C601 L615	C548-I558 CarbonylContact C-O 3.28Å; C548-I558 VanDerWaalsContact CA-O 3.27Å; C548-I558 WeakPolarHBondContact CA-O 3.39Å; K549-I558 PolarHBondContact N-O 2.99Å; K549-I558 PolarHBondContact O-N 3.15Å; L551-I558 HydrophobicContact CD1-CD1 3.98Å; L551-I558 HydrophobicContact CD1-CG1 3.97Å; I558-I568 HydrophobicContact CD1-CD1 4.43Å; I558-I568 HydrophobicContact CD1-CG1 4.36Å; I558-I568 HydrophobicContact CG1-CG1 4.28Å; I558-I568 HydrophobicContact CG2-CG1 4.48Å; I558-L592 HydrophobicContact CB-CD1 4.46Å; I558-L592 HydrophobicContact CG2-CD1 3.94Å; I558-I594 HydrophobicContact CD1-CD1 3.78Å; I558-I594 HydrophobicContact CG1-CD1 4.33Å; I558-C601 HydrophobicContact CD1-CB 4.03Å; I558-L615 HydrophobicContact CD1-CD1 3.77Å; I558-L615 HydrophobicContact CD1-CD2 3.36Å; I558-L615 HydrophobicContact CD1-CG 4.21Å
559	V	95.6	Very high	92.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126.7	-175	-176.2	0	0	0	0	109.5	V519 C538 I545 C548 L557 L566 T567	V519-V559 HydrophobicContact CG2-CG1 3.89Å; V519-V559 HydrophobicContact CG2-CG2 3.93Å; C538-V559 HydrophobicContact CB-CG1 4.07Å; I545-V559 HydrophobicContact CB-CG1 4.49Å; I545-V559 HydrophobicContact CD1-CG1 3.82Å; I545-V559 HydrophobicContact CG1-CG1 4.12Å; I545-V559 HydrophobicContact CG2-CG1 3.6Å; C548-V559 HydrophobicContact CB-CG2 4.33Å; L557-V559 HydrophobicContact CD2-CG2 3.7Å; L557-V559 HydrophobicContact CG-CG2 3.9Å; V559-L566 CarbonylContact O-C 3.5Å; V559-L566 WeakPolarHBondContact O-CA 3.36Å; V559-T567 PolarHBondContact N-O 2.89Å; V559-T567 PolarHBondContact O-N 3.43Å
560	G	94.9	Very high	92.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	154.1	177.6	0	0	0	0	0	111.6	R546 S547	R546-G560 PolarHBondContact N-O 3.15Å; S547-G560 PolarHBondContact N-O 3.4Å; S547-G560 PolarHBondContact O-N 3.37Å; S547-G560 VanDerWaalsContact O-O 3.05Å
561	G	93.9	Very high	91.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.9	-150.6	-177.2	0	0	0	0	0	113.1	Y544 A563 A588 C589	Y544-G561 CarbonylContact O-C 3.57Å; Y544-G561 VanDerWaalsContact O-CA 3.3Å; Y544-G561 WeakPolarHBondContact O-CA 3.27Å; G561-A563 PolarHBondContact O-N 3.33Å; G561-A588 WeakPolarHBondContact O-CA 3.38Å; G561-C589 CarbonylContact C-O 3.58Å; G561-C589 WeakPolarHBondContact CA-O 3.33Å; G561-C589 PolarHBondContact O-N 3.4Å
562	E	93.9	Very high	91.2	Very high	58 Å²	58	33.1 Å²	33.1	27%	0.271	19%	0.19	S	C	.	.	S	Bend	trans	-76.7	51.8	-178.8	-71.3	157.4	-174.5	0	0	112.3	N543 Y544 R546	N543-E562 HydrophobicContact CB-CB 4.09Å; N543-E562 WeakPolarHBondContact CB-O 3.3Å; N543-E562 PolarHBondContact ND2-O 3.46Å; Y544-E562 WeakPolarHBondContact CB-OE2 3.31Å; Y544-E562 WeakPolarHBondContact CD2-OE2 3.29Å; Y544-E562 PolarHBondContact N-OE2 3.42Å; Y544-E562 PolarHBondContact O-N 2.8Å; R546-E562 WeakPolarHBondContact CD-OE1 3.46Å; R546-E562 HydrophobicContact CG-CG 4.08Å; R546-E562 IonicContact CZ-OE1 3.4Å; R546-E562 IonicContact NE-OE1 3.14Å; R546-E562 IonicContact NH1-OE1 2.61Å; R546-E562 PolarHBondContact NH1-OE1 3.11Å
563	A	93.3	Very high	90.5	Very high	17 Å²	17	30.7 Å²	30.7	14%	0.14	17%	0.174	C	C	.	.	S	Bend	trans	-149.1	160.7	173.8	0	0	0	0	0	109.9	L539 G561 T565 P587	L539-A563 HydrophobicContact CD1-CB 4.23Å; L539-A563 HydrophobicContact CD2-CB 3.65Å; L539-A563 HydrophobicContact CG-CB 4.47Å; G561-A563 PolarHBondContact O-N 3.33Å; A563-T565 VanDerWaalsContact C-N 3.26Å; A563-T565 PolarHBondContact O-N 3.39Å; A563-P587 CarbonylContact C-O 3.46Å; A563-P587 VanDerWaalsContact CA-O 3.28Å; A563-P587 WeakPolarHBondContact CA-O 3.41Å; A563-P587 PolarHBondContact N-O 2.86Å
564	S	91.9	Very high	89.8	Confident	51 Å²	51	32.9 Å²	32.9	36%	0.357	19%	0.193	S	C	.	.	S	Bend	trans	-75.6	-11.6	175.1	52.8	0	0	0	0	114.1	S584 A586 P587	S564-S584 WeakPolarHBondContact O-CB 3.38Å; S564-S584 PolarHBondContact O-N 2.64Å; S564-A586 VanDerWaalsContact CA-O 3.22Å; S564-A586 WeakPolarHBondContact CA-O 3.4Å; S564-A586 WeakPolarHBondContact CB-O 3.41Å; S564-P587 PolarHBondContact N-O 2.61Å
565	T	92.2	Very high	89.4	Confident	33 Å²	33	35.2 Å²	35.2	20%	0.202	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	134.3	177.9	50.5	0	0	0	0	112.2	A563 L582 T583	A563-T565 VanDerWaalsContact C-N 3.26Å; A563-T565 PolarHBondContact O-N 3.39Å; T565-L582 WeakPolarHBondContact CA-O 3.3Å; T565-T583 HydrophobicContact CG2-CG2 4.25Å
566	L	94.4	Very high	89.2	Confident	3 Å²	3	29.1 Å²	29.1	2%	0.016	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.1	162.7	-47.6	174.9	0	0	0	108.2	V559 E581 L582 C589 L592	V559-L566 CarbonylContact O-C 3.5Å; V559-L566 WeakPolarHBondContact O-CA 3.36Å; L566-E581 CarbonylContact O-C 3.09Å; L566-E581 WeakPolarHBondContact O-CA 3.47Å; L566-L582 HydrophobicContact CB-CB 4.17Å; L566-L582 HydrophobicContact CD1-CD1 4.36Å; L566-L582 PolarHBondContact N-O 2.74Å; L566-L582 PolarHBondContact O-N 3.24Å; L566-C589 HydrophobicContact CD2-CB 3.64Å; L566-L592 HydrophobicContact CD1-CD2 4.08Å; L566-L592 HydrophobicContact CD2-CD2 4.22Å
567	T	94.1	Very high	89	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	130.4	177.4	55.5	0	0	0	0	110.7	C538 V559 W569 E581	C538-T567 WeakPolarHBondContact O-CG2 3.34Å; V559-T567 PolarHBondContact N-O 2.89Å; V559-T567 PolarHBondContact O-N 3.43Å; T567-W569 PolarHBondContact OG1-NE1 3.48Å; T567-E581 HydrophobicContact CG2-CG 4.26Å
568	I	94.2	Very high	88.8	Confident	5 Å²	5	39.9 Å²	39.9	3%	0.026	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121	173.9	-57.1	-177	0	0	0	107.8	T556 I558 K579 A580 L582 L615	T556-I568 HydrophobicContact CG2-CG2 3.45Å; T556-I568 VanDerWaalsContact CG2-CG2 3.45Å; I558-I568 HydrophobicContact CD1-CD1 4.43Å; I558-I568 HydrophobicContact CD1-CG1 4.36Å; I558-I568 HydrophobicContact CG1-CG1 4.28Å; I558-I568 HydrophobicContact CG2-CG1 4.48Å; I568-K579 HydrophobicContact CG2-CB 4.39Å; I568-K579 HydrophobicContact CG2-CD 4.27Å; I568-K579 WeakPolarHBondContact O-CB 3.38Å; I568-K579 PolarHBondContact O-N 3.46Å; I568-A580 HydrophobicContact CB-CB 4.2Å; I568-A580 HydrophobicContact CD1-CB 4.21Å; I568-A580 HydrophobicContact CG1-CB 4.49Å; I568-A580 PolarHBondContact N-O 3.09Å; I568-A580 PolarHBondContact O-N 3.33Å; I568-L582 HydrophobicContact CD1-CD1 3.96Å; I568-L582 HydrophobicContact CD1-CD2 4.29Å; I568-L582 HydrophobicContact CD1-CG 4.05Å; I568-L582 HydrophobicContact CG1-CD1 4.46Å; I568-L582 HydrophobicContact CG1-CG 4.46Å; I568-L615 HydrophobicContact CD1-CD2 3.94Å
569	W	93.1	Very high	88.5	Confident	18 Å²	18	45.4 Å²	45.4	7%	0.068	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.6	-178.3	-70.1	78	0	0	0	111.4	L536 D537 C538 T556 L557 T567 P576 R577 I578	L536-W569 HydrophobicContact CB-CD2 4.19Å; L536-W569 HydrophobicContact CB-CE3 4.22Å; L536-W569 HydrophobicContact CB-CH2 3.89Å; L536-W569 HydrophobicContact CB-CZ2 3.84Å; L536-W569 HydrophobicContact CB-CZ3 4.08Å; L536-W569 HydrophobicContact CD1-CB 4.47Å; L536-W569 HydrophobicContact CD1-CD2 3.98Å; L536-W569 HydrophobicContact CD1-CE3 4.2Å; L536-W569 HydrophobicContact CD1-CG 4.09Å; L536-W569 HydrophobicContact CD2-CD2 4.41Å; L536-W569 HydrophobicContact CD2-CE3 3.81Å; L536-W569 HydrophobicContact CD2-CH2 4.49Å; L536-W569 HydrophobicContact CD2-CZ3 3.87Å; L536-W569 HydrophobicContact CG-CD2 4.42Å; L536-W569 HydrophobicContact CG-CE3 4.3Å; L536-W569 HydrophobicContact CG-CZ3 4.46Å; D537-W569 WeakPolarHBondContact O-CZ2 3.1Å; C538-W569 HydrophobicContact CB-CZ2 4.42Å; C538-W569 PolarHBondContact SG-NE1 2.92Å; T556-W569 WeakPolarHBondContact CA-O 3.31Å; L557-W569 HydrophobicContact CB-CB 4.31Å; L557-W569 PolarHBondContact N-O 3.45Å; L557-W569 PolarHBondContact O-N 3.4Å; T567-W569 PolarHBondContact OG1-NE1 3.48Å; W569-P576 HydrophobicContact CE3-CB 4.17Å; W569-R577 CarbonylContact C-O 3.59Å; W569-R577 WeakPolarHBondContact CA-O 3.32Å; W569-I578 HydrophobicContact CD2-CG1 4.04Å; W569-I578 HydrophobicContact CE3-CG1 4.2Å; W569-I578 HydrophobicContact CH2-CD1 4.15Å; W569-I578 HydrophobicContact CH2-CG1 3.61Å; W569-I578 HydrophobicContact CZ2-CD1 3.85Å; W569-I578 HydrophobicContact CZ2-CG1 3.4Å; W569-I578 VanDerWaalsContact CZ2-CG1 3.4Å; W569-I578 HydrophobicContact CZ3-CG1 4.01Å
570	D	91.1	Very high	88.2	Confident	54 Å²	54	45.9 Å²	45.9	29%	0.289	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	126.8	166.7	-174.7	7.5	0	0	0	109.9	A572 P576 R577 K579	D570-A572 VanDerWaalsContact OD1-CB 3.23Å; D570-A572 WeakPolarHBondContact OD1-CB 3.38Å; D570-A572 PolarHBondContact OD1-N 3.34Å; D570-P576 WeakPolarHBondContact O-CA 3.44Å; D570-R577 PolarHBondContact N-O 3.35Å; D570-R577 PolarHBondContact O-N 3.5Å; D570-R577 VanDerWaalsContact O-N 3.1Å; D570-K579 HydrophobicContact CB-CB 4.25Å; D570-K579 HydrophobicContact CB-CD 4.45Å
571	L	87.1	Confident	88.1	Confident	30 Å²	30	50.9 Å²	50.9	16%	0.157	28%	0.279	C	S	.	.			trans	-110.9	-1.4	178.8	-54.3	173	0	0	0	112.2	Y512 I521 L550 R555 L557 S573 P576	Y512-L571 HydrophobicContact CE1-CD1 3.85Å; Y512-L571 HydrophobicContact CE1-CD2 4.27Å; Y512-L571 WeakPolarHBondContact OH-CD1 3.24Å; I521-L571 HydrophobicContact CD1-CD2 4.22Å; L550-L571 HydrophobicContact CD2-CD1 3.57Å; R555-L571 WeakPolarHBondContact O-CA 3.28Å; R555-L571 VanDerWaalsContact O-CB 3.29Å; R555-L571 WeakPolarHBondContact O-CB 3.38Å; R555-L571 PolarHBondContact O-N 3.2Å; L557-L571 HydrophobicContact CB-CD1 3.93Å; L557-L571 HydrophobicContact CB-CG 4.37Å; L571-S573 PolarHBondContact O-N 2.96Å; L571-P576 HydrophobicContact CD2-CB 4.05Å; L571-P576 HydrophobicContact CD2-CG 4.12Å
572	A	80.1	Confident	88.1	Confident	64 Å²	64	50.9 Å²	50.9	53%	0.529	28%	0.279	S	S	.	.	S	Bend	trans	-69.4	-20.7	176	0	0	0	0	0	112.5	R555 D570	R555-A572 HydrophobicContact CB-CB 4.31Å; R555-A572 HydrophobicContact CG-CB 4.36Å; D570-A572 VanDerWaalsContact OD1-CB 3.23Å; D570-A572 WeakPolarHBondContact OD1-CB 3.38Å; D570-A572 PolarHBondContact OD1-N 3.34Å
573	S	72.4	Confident	88	Confident	37 Å²	37	52.8 Å²	52.8	26%	0.259	30%	0.295	S	S	.	.	S	Bend	trans	-88.6	139.9	171.2	179.8	0	0	0	0	111	L571 T575	L571-S573 PolarHBondContact O-N 2.96Å; S573-T575 VanDerWaalsContact CB-O 3.31Å; S573-T575 WeakPolarHBondContact CB-O 3.09Å; S573-T575 CarbonylContact O-C 3.42Å; S573-T575 PolarHBondContact O-N 2.91Å; S573-T575 VanDerWaalsContact O-N 3.12Å; S573-T575 PolarHBondContact OG-O 3.11Å; S573-T575 VanDerWaalsContact OG-O 3.09Å; S573-T575 PolarHBondContact OG-OG1 2.86Å
574	P	69.1	Low	87.8	Confident	130 Å²	130	52.7 Å²	52.7	84%	0.844	29%	0.293	S	S	*	.	S	Bend	trans	-63.6	-17.3	177.2	27.2	-36	0	0	0	113.5
575	T	76	Confident	87.7	Confident	73 Å²	73	55.3 Å²	55.3	45%	0.448	31%	0.311	S	S	.	.	S	Bend	trans	-102.9	112.6	159.5	61.9	0	0	0	0	108	S573 R577	S573-T575 VanDerWaalsContact CB-O 3.31Å; S573-T575 WeakPolarHBondContact CB-O 3.09Å; S573-T575 CarbonylContact O-C 3.42Å; S573-T575 PolarHBondContact O-N 2.91Å; S573-T575 VanDerWaalsContact O-N 3.12Å; S573-T575 PolarHBondContact OG-O 3.11Å; S573-T575 VanDerWaalsContact OG-O 3.09Å; S573-T575 PolarHBondContact OG-OG1 2.86Å; T575-R577 PolarHBondContact OG1-NE 2.83Å; T575-R577 PolarHBondContact OG1-NH2 2.79Å
576	P	84.8	Confident	87.6	Confident	28 Å²	28	53.8 Å²	53.8	18%	0.182	30%	0.302	C	S	.	.			trans	-55.3	143.8	171.3	-29.1	37.7	0	0	0	112.2	I521 L536 W569 D570 L571	I521-P576 HydrophobicContact CD1-CG 4.08Å; L536-P576 HydrophobicContact CD2-CB 3.33Å; L536-P576 HydrophobicContact CD2-CG 3.81Å; W569-P576 HydrophobicContact CE3-CB 4.17Å; D570-P576 WeakPolarHBondContact O-CA 3.44Å; L571-P576 HydrophobicContact CD2-CB 4.05Å; L571-P576 HydrophobicContact CD2-CG 4.12Å
577	R	87.6	Confident	87.5	Confident	160 Å²	160	56.3 Å²	56.3	60%	0.604	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.3	148.2	179.8	-64.2	-177.8	-173.3	-169.2	0.7	111.9	W569 D570 T575 K579	W569-R577 CarbonylContact C-O 3.59Å; W569-R577 WeakPolarHBondContact CA-O 3.32Å; D570-R577 PolarHBondContact N-O 3.35Å; D570-R577 PolarHBondContact O-N 3.5Å; D570-R577 VanDerWaalsContact O-N 3.1Å; T575-R577 PolarHBondContact OG1-NE 2.83Å; T575-R577 PolarHBondContact OG1-NH2 2.79Å; R577-K579 PolarHBondContact O-N 2.79Å
578	I	89.9	Confident	87.5	Confident	75 Å²	75	56.8 Å²	56.8	39%	0.385	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	124.8	166.5	-58.2	174.4	0	0	0	107.8	W569 E581	W569-I578 HydrophobicContact CD2-CG1 4.04Å; W569-I578 HydrophobicContact CE3-CG1 4.2Å; W569-I578 HydrophobicContact CH2-CD1 4.15Å; W569-I578 HydrophobicContact CH2-CG1 3.61Å; W569-I578 HydrophobicContact CZ2-CD1 3.85Å; W569-I578 HydrophobicContact CZ2-CG1 3.4Å; W569-I578 VanDerWaalsContact CZ2-CG1 3.4Å; W569-I578 HydrophobicContact CZ3-CG1 4.01Å; I578-E581 HydrophobicContact CG2-CG 3.93Å
579	K	89	Confident	87.5	Confident	116 Å²	116	56.6 Å²	56.6	50%	0.504	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-35.8	178.1	177.2	-177.6	173.8	-174	0	111.2	I568 D570 R577	I568-K579 HydrophobicContact CG2-CB 4.39Å; I568-K579 HydrophobicContact CG2-CD 4.27Å; I568-K579 WeakPolarHBondContact O-CB 3.38Å; I568-K579 PolarHBondContact O-N 3.46Å; D570-K579 HydrophobicContact CB-CB 4.25Å; D570-K579 HydrophobicContact CB-CD 4.45Å; R577-K579 PolarHBondContact O-N 2.79Å
580	A	89.9	Confident	87.6	Confident	10 Å²	10	58.7 Å²	58.7	8%	0.083	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	160.8	-179	0	0	0	0	0	110.9	I568 Q618	I568-A580 HydrophobicContact CB-CB 4.2Å; I568-A580 HydrophobicContact CD1-CB 4.21Å; I568-A580 HydrophobicContact CG1-CB 4.49Å; I568-A580 PolarHBondContact N-O 3.09Å; I568-A580 PolarHBondContact O-N 3.33Å; A580-Q618 HydrophobicContact CB-CG 3.96Å
581	E	92.5	Very high	87.9	Confident	105 Å²	105	56.7 Å²	56.7	49%	0.491	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.3	171.4	-57.5	-171.9	176	0	0	109.1	L566 T567 I578	L566-E581 CarbonylContact O-C 3.09Å; L566-E581 WeakPolarHBondContact O-CA 3.47Å; T567-E581 HydrophobicContact CG2-CG 4.26Å; I578-E581 HydrophobicContact CG2-CG 3.93Å
582	L	92.4	Very high	88.3	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	105.9	179.1	-53.4	176.9	0	0	0	109	T565 L566 I568 S584 W613 L615 Q618	T565-L582 WeakPolarHBondContact CA-O 3.3Å; L566-L582 HydrophobicContact CB-CB 4.17Å; L566-L582 HydrophobicContact CD1-CD1 4.36Å; L566-L582 PolarHBondContact N-O 2.74Å; L566-L582 PolarHBondContact O-N 3.24Å; I568-L582 HydrophobicContact CD1-CD1 3.96Å; I568-L582 HydrophobicContact CD1-CD2 4.29Å; I568-L582 HydrophobicContact CD1-CG 4.05Å; I568-L582 HydrophobicContact CG1-CD1 4.46Å; I568-L582 HydrophobicContact CG1-CG 4.46Å; L582-S584 PolarHBondContact O-N 3.38Å; L582-W613 HydrophobicContact CB-CD2 4.06Å; L582-W613 HydrophobicContact CB-CE3 3.86Å; L582-W613 HydrophobicContact CB-CH2 4.15Å; L582-W613 HydrophobicContact CB-CZ2 4.32Å; L582-W613 HydrophobicContact CB-CZ3 3.9Å; L582-W613 HydrophobicContact CD1-CB 3.84Å; L582-W613 HydrophobicContact CD1-CD2 3.85Å; L582-W613 HydrophobicContact CD1-CE3 4.02Å; L582-W613 HydrophobicContact CD1-CG 3.78Å; L582-W613 HydrophobicContact CD2-CE3 3.97Å; L582-W613 HydrophobicContact CD2-CZ3 4.37Å; L582-W613 HydrophobicContact CG-CD2 4.41Å; L582-W613 HydrophobicContact CG-CE3 4.17Å; L582-L615 HydrophobicContact CD1-CD2 4.45Å; L582-Q618 HydrophobicContact CD2-CB 3.81Å; L582-Q618 HydrophobicContact CD2-CG 4.42Å
583	T	91.9	Very high	89.1	Confident	98 Å²	98	52.8 Å²	52.8	60%	0.601	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	104.8	-176.8	-51.3	0	0	0	0	111.2	T565 W613	T565-T583 HydrophobicContact CG2-CG2 4.25Å; T583-W613 WeakPolarHBondContact O-CH2 3.45Å
584	S	89.8	Confident	90.1	Very high	15 Å²	15	52.3 Å²	52.3	11%	0.105	29%	0.287	C	S	.	.			trans	-77	162	171.2	-167.4	0	0	0	0	112	S564 L582 A586	S564-S584 WeakPolarHBondContact O-CB 3.38Å; S564-S584 PolarHBondContact O-N 2.64Å; L582-S584 PolarHBondContact O-N 3.38Å; S584-A586 PolarHBondContact OG-N 2.85Å
585	S	89.1	Confident	91.2	Very high	105 Å²	105	46.6 Å²	46.6	73%	0.734	25%	0.25	S	S	*	.	S	Bend	trans	-78.8	-23.1	166.9	54.5	0	0	0	0	113.2
586	A	91.2	Very high	91.9	Very high	2 Å²	2	47.6 Å²	47.6	2%	0.017	26%	0.258	C	S	.	.	S	Bend	trans	-78.7	147.2	-179.3	0	0	0	0	0	111.6	S564 S584 A588 C605	S564-A586 VanDerWaalsContact CA-O 3.22Å; S564-A586 WeakPolarHBondContact CA-O 3.4Å; S564-A586 WeakPolarHBondContact CB-O 3.41Å; S584-A586 PolarHBondContact OG-N 2.85Å; A586-A588 VanDerWaalsContact C-N 3.35Å; A586-A588 PolarHBondContact O-N 3.39Å; A586-C605 HydrophobicContact CB-CB 3.48Å; A586-C605 VanDerWaalsContact CB-CB 3.48Å
587	P	91.4	Very high	92	Very high	56 Å²	56	50.3 Å²	50.3	36%	0.364	27%	0.271	S	S	.	.	S	Bend	trans	-76.8	-16.9	-174.5	30	-35	0	0	0	114.5	Y377 A563 S564 S606	Y377-P587 HydrophobicContact CE1-CB 4.19Å; A563-P587 CarbonylContact C-O 3.46Å; A563-P587 VanDerWaalsContact CA-O 3.28Å; A563-P587 WeakPolarHBondContact CA-O 3.41Å; A563-P587 PolarHBondContact N-O 2.86Å; S564-P587 PolarHBondContact N-O 2.61Å; P587-S606 WeakPolarHBondContact CG-OG 3.48Å
588	A	94	Very high	92.2	Very high	10 Å²	10	44.1 Å²	44.1	8%	0.083	25%	0.254	C	S	.	.			trans	-150.1	155.9	176.7	0	0	0	0	0	112.6	G561 A586 Y590 C605 S606	G561-A588 WeakPolarHBondContact O-CA 3.38Å; A586-A588 VanDerWaalsContact C-N 3.35Å; A586-A588 PolarHBondContact O-N 3.39Å; A588-Y590 HydrophobicContact CB-CE1 4.28Å; A588-C605 WeakPolarHBondContact O-CA 3.35Å; A588-S606 PolarHBondContact N-OG 2.78Å; A588-S606 PolarHBondContact O-N 2.93Å
589	C	95.4	Very high	92.3	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.014	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	122.6	168.9	164.7	0	0	0	0	109.3	R546 G561 L566 S603 C604	R546-C589 WeakPolarHBondContact CB-O 3.26Å; G561-C589 CarbonylContact C-O 3.58Å; G561-C589 WeakPolarHBondContact CA-O 3.33Å; G561-C589 PolarHBondContact O-N 3.4Å; L566-C589 HydrophobicContact CD2-CB 3.64Å; C589-S603 PolarHBondContact SG-OG 3.5Å; C589-C604 CarbonylContact C-O 3.6Å; C589-C604 VanDerWaalsContact CA-O 3.31Å; C589-C604 WeakPolarHBondContact CA-O 3.48Å
590	Y	95.8	Very high	92.5	Very high	61 Å²	61	42.6 Å²	42.6	24%	0.239	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-36.3	179.6	-62.9	-41.4	0	0	0	113.4	R546 A588 C604 A631 L648	R546-Y590 CarbonylContact C-O 3.48Å; R546-Y590 WeakPolarHBondContact CB-O 3.35Å; R546-Y590 HydrophobicContact CG-CD1 4.44Å; A588-Y590 HydrophobicContact CB-CE1 4.28Å; Y590-C604 PolarHBondContact N-O 3.28Å; Y590-A631 WeakPolarHBondContact CD2-O 3.46Å; Y590-L648 HydrophobicContact CE2-CD1 4.47Å
591	A	96.3	Very high	92.8	Very high	12 Å²	12	42.1 Å²	42.1	10%	0.099	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	149.4	-177.7	0	0	0	0	0	113.2	C604 S632 I634	A591-C604 HydrophobicContact CB-CB 4.2Å; A591-C604 PolarHBondContact O-N 3.4Å; A591-S632 WeakPolarHBondContact CB-O 3.44Å; A591-I634 HydrophobicContact CB-CG2 3.73Å
592	L	96.6	Very high	92.9	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	139.2	178.7	-66.3	173.1	0	0	0	111.3	S547 K549 I558 L566 F602	S547-L592 PolarHBondContact OG-N 3.36Å; K549-L592 WeakPolarHBondContact CE-O 3.28Å; K549-L592 HydrophobicContact CG-CB 3.93Å; K549-L592 WeakPolarHBondContact CG-O 3.17Å; I558-L592 HydrophobicContact CB-CD1 4.46Å; I558-L592 HydrophobicContact CG2-CD1 3.94Å; L566-L592 HydrophobicContact CD1-CD2 4.08Å; L566-L592 HydrophobicContact CD2-CD2 4.22Å; L592-F602 WeakPolarHBondContact CA-O 3.46Å
593	A	95.7	Very high	93.1	Very high	9 Å²	9	37.4 Å²	37.4	7%	0.074	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	152.2	163.8	0	0	0	0	0	110.6	C601 F602 I634 I636	A593-C601 WeakPolarHBondContact O-CA 3.34Å; A593-F602 HydrophobicContact CB-CB 4.39Å; A593-F602 HydrophobicContact CB-CD2 4.44Å; A593-F602 PolarHBondContact N-O 2.82Å; A593-F602 PolarHBondContact O-N 2.96Å; A593-I634 HydrophobicContact CB-CD1 4.27Å; A593-I634 HydrophobicContact CB-CG1 3.96Å; A593-I634 HydrophobicContact CB-CG2 4.04Å; A593-I636 HydrophobicContact CB-CD1 4.29Å; A593-I636 HydrophobicContact CB-CG1 4.2Å
594	I	94.5	Very high	93.3	Very high	27 Å²	27	32.8 Å²	32.8	14%	0.138	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	134.5	180	-51.3	-62.3	0	0	0	107.9	K549 L551 I558 C601 I636	K549-I594 HydrophobicContact CB-CD1 4.24Å; K549-I594 HydrophobicContact CB-CG1 3.79Å; L551-I594 HydrophobicContact CD1-CD1 4.38Å; L551-I594 HydrophobicContact CD1-CG2 4.3Å; L551-I594 HydrophobicContact CG-CG2 4.26Å; I558-I594 HydrophobicContact CD1-CD1 3.78Å; I558-I594 HydrophobicContact CG1-CD1 4.33Å; I594-C601 HydrophobicContact CD1-CB 3.91Å; I594-I636 VanDerWaalsContact O-CD1 3.24Å; I594-I636 WeakPolarHBondContact O-CD1 3.4Å
595	S	92.3	Very high	93.6	Very high	10 Å²	10	32.1 Å²	32.1	7%	0.07	19%	0.188	C	C	.	.			trans	-61.8	147.9	177.5	60.9	0	0	0	0	111.8	D597 A598 K599 V600	S595-D597 VanDerWaalsContact CB-OD1 3.29Å; S595-D597 WeakPolarHBondContact CB-OD1 3.42Å; S595-D597 PolarHBondContact O-N 2.69Å; S595-D597 VanDerWaalsContact O-N 3.07Å; S595-D597 PolarHBondContact OG-OD1 2.96Å; S595-A598 WeakPolarHBondContact O-CA 3.49Å; S595-A598 PolarHBondContact O-N 2.81Å; S595-K599 PolarHBondContact OG-N 3.1Å; S595-V600 PolarHBondContact N-O 3.45Å; S595-V600 PolarHBondContact OG-N 3.46Å; S595-V600 PolarHBondContact OG-O 2.82Å
596	P	88.9	Confident	93.8	Very high	94 Å²	94	28.2 Å²	28.2	61%	0.61	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.2	177.8	-27	35.7	0	0	0	114.4	A598	P596-A598 VanDerWaalsContact C-N 3.34Å
597	D	88.8	Confident	93.9	Very high	85 Å²	85	30.9 Å²	30.9	46%	0.455	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	3.9	176	81.6	-25.5	0	0	0	114.3	S595 K599	S595-D597 VanDerWaalsContact CB-OD1 3.29Å; S595-D597 WeakPolarHBondContact CB-OD1 3.42Å; S595-D597 PolarHBondContact O-N 2.69Å; S595-D597 VanDerWaalsContact O-N 3.07Å; S595-D597 PolarHBondContact OG-OD1 2.96Å; D597-K599 PolarHBondContact O-N 3.15Å; D597-K599 VanDerWaalsContact O-N 3.14Å; D597-K599 PolarHBondContact OD1-N 3.3Å; D597-K599 WeakPolarHBondContact OD2-CD 3.41Å; D597-K599 WeakPolarHBondContact OD2-CG 3.41Å; D597-K599 IonicContact OD2-NZ 2.62Å; D597-K599 PolarHBondContact OD2-NZ 3.14Å
598	A	90.9	Very high	94	Very high	31 Å²	31	28.2 Å²	28.2	26%	0.256	16%	0.158	S	C	.	.	S	Bend	trans	59.6	14.1	178.9	0	0	0	0	0	116.4	L551 P552 S595 P596	L551-A598 HydrophobicContact CD2-CB 4.18Å; L551-A598 HydrophobicContact CG-CB 4.3Å; P552-A598 HydrophobicContact CG-CB 4.28Å; S595-A598 WeakPolarHBondContact O-CA 3.49Å; S595-A598 PolarHBondContact O-N 2.81Å; P596-A598 VanDerWaalsContact C-N 3.34Å
599	K	91.8	Very high	94	Very high	124 Å²	124	29 Å²	29	54%	0.539	16%	0.161	S	C	.	.	S	Bend	trans	-92.4	-24.7	-179.6	-58.3	-164.6	-160.3	84.3	0	114.5	S595 D597 L615	S595-K599 PolarHBondContact OG-N 3.1Å; D597-K599 PolarHBondContact O-N 3.15Å; D597-K599 VanDerWaalsContact O-N 3.14Å; D597-K599 PolarHBondContact OD1-N 3.3Å; D597-K599 WeakPolarHBondContact OD2-CD 3.41Å; D597-K599 WeakPolarHBondContact OD2-CG 3.41Å; D597-K599 IonicContact OD2-NZ 2.62Å; D597-K599 PolarHBondContact OD2-NZ 3.14Å; K599-L615 WeakPolarHBondContact O-CB 3.42Å; K599-L615 PolarHBondContact O-N 2.76Å
600	V	93.8	Very high	94.1	Very high	34 Å²	34	28.9 Å²	28.9	21%	0.206	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.6	-170.5	179.6	0	0	0	0	110.7	S595 F602 V612 W613	S595-V600 PolarHBondContact N-O 3.45Å; S595-V600 PolarHBondContact OG-N 3.46Å; S595-V600 PolarHBondContact OG-O 2.82Å; V600-F602 HydrophobicContact CB-CE2 4.48Å; V600-F602 HydrophobicContact CB-CZ 4.42Å; V600-F602 HydrophobicContact CG1-CD1 4.49Å; V600-F602 HydrophobicContact CG1-CD2 4.48Å; V600-F602 HydrophobicContact CG1-CE1 3.94Å; V600-F602 HydrophobicContact CG1-CE2 3.94Å; V600-F602 HydrophobicContact CG1-CZ 3.63Å; V600-V612 HydrophobicContact CG1-CG1 3.45Å; V600-V612 VanDerWaalsContact CG1-CG1 3.45Å; V600-W613 CarbonylContact C-O 3.48Å; V600-W613 VanDerWaalsContact CA-O 3.28Å; V600-W613 WeakPolarHBondContact CA-O 3.27Å
601	C	95.2	Very high	94	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	133.9	168.2	178.9	0	0	0	0	110.4	I558 A593 I594 W613 L615	I558-C601 HydrophobicContact CD1-CB 4.03Å; A593-C601 WeakPolarHBondContact O-CA 3.34Å; I594-C601 HydrophobicContact CD1-CB 3.91Å; C601-W613 HydrophobicContact CB-CB 4.42Å; C601-W613 PolarHBondContact N-O 3.08Å; C601-W613 PolarHBondContact O-N 3.32Å; C601-L615 HydrophobicContact CB-CD1 4.12Å; C601-L615 HydrophobicContact CB-CD2 3.68Å; C601-L615 HydrophobicContact CB-CG 4.11Å
602	F	96	Very high	94	Very high	7 Å²	7	26 Å²	26	3%	0.031	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	128.8	173.4	-54.4	-84.3	0	0	0	108.8	L592 A593 V600 I610 A611 V612 F624 I634 I636 L643 L657	L592-F602 WeakPolarHBondContact CA-O 3.46Å; A593-F602 HydrophobicContact CB-CB 4.39Å; A593-F602 HydrophobicContact CB-CD2 4.44Å; A593-F602 PolarHBondContact N-O 2.82Å; A593-F602 PolarHBondContact O-N 2.96Å; V600-F602 HydrophobicContact CB-CE2 4.48Å; V600-F602 HydrophobicContact CB-CZ 4.42Å; V600-F602 HydrophobicContact CG1-CD1 4.49Å; V600-F602 HydrophobicContact CG1-CD2 4.48Å; V600-F602 HydrophobicContact CG1-CE1 3.94Å; V600-F602 HydrophobicContact CG1-CE2 3.94Å; V600-F602 HydrophobicContact CG1-CZ 3.63Å; F602-I610 HydrophobicContact CB-CG2 4.38Å; F602-A611 WeakPolarHBondContact CA-O 3.34Å; F602-V612 HydrophobicContact CD1-CB 4.43Å; F602-V612 HydrophobicContact CD1-CG1 4.02Å; F602-V612 HydrophobicContact CD1-CG2 3.97Å; F602-V612 HydrophobicContact CE1-CB 4.47Å; F602-V612 HydrophobicContact CE1-CG1 3.67Å; F602-V612 HydrophobicContact CE1-CG2 4.11Å; F602-V612 HydrophobicContact CZ-CG1 4.49Å; F602-F624 HydrophobicContact CD1-CE2 4.29Å; F602-F624 HydrophobicContact CE1-CE2 4.19Å; F602-I634 HydrophobicContact CB-CD1 3.49Å; F602-I634 VanDerWaalsContact CB-CD1 3.49Å; F602-I634 HydrophobicContact CG-CD1 4.44Å; F602-I636 HydrophobicContact CD2-CD1 3.96Å; F602-I636 HydrophobicContact CE2-CD1 3.79Å; F602-L643 HydrophobicContact CB-CD1 4.45Å; F602-L643 HydrophobicContact CB-CD2 4.45Å; F602-L643 HydrophobicContact CD1-CD1 4.27Å; F602-L643 HydrophobicContact CD1-CD2 3.72Å; F602-L643 HydrophobicContact CD2-CD1 4.05Å; F602-L643 HydrophobicContact CE1-CD2 4.21Å; F602-L643 HydrophobicContact CE2-CD1 4.41Å; F602-L643 HydrophobicContact CG-CD1 3.99Å; F602-L643 HydrophobicContact CG-CD2 4.12Å; F602-L657 HydrophobicContact CD1-CD2 4.32Å; F602-L657 HydrophobicContact CE1-CD2 3.36Å; F602-L657 HydrophobicContact CE2-CD2 4.42Å; F602-L657 HydrophobicContact CZ-CD1 4.07Å; F602-L657 HydrophobicContact CZ-CD2 3.42Å; F602-L657 VanDerWaalsContact CZ-CD2 3.42Å; F602-L657 HydrophobicContact CZ-CG 4.38Å
603	S	95.9	Very high	93.9	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.007	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	114.9	-176.9	161.2	0	0	0	0	110.1	C589 C605 I610 A611	C589-S603 PolarHBondContact SG-OG 3.5Å; S603-C605 PolarHBondContact O-N 3.32Å; S603-I610 WeakPolarHBondContact O-CA 3.39Å; S603-A611 PolarHBondContact N-O 3.48Å; S603-A611 PolarHBondContact O-N 2.85Å
604	C	96.1	Very high	93.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	109.4	172.6	-73.4	0	0	0	0	110.3	C589 Y590 A591 A631 I634	C589-C604 CarbonylContact C-O 3.6Å; C589-C604 VanDerWaalsContact CA-O 3.31Å; C589-C604 WeakPolarHBondContact CA-O 3.48Å; Y590-C604 PolarHBondContact N-O 3.28Å; A591-C604 HydrophobicContact CB-CB 4.2Å; A591-C604 PolarHBondContact O-N 3.4Å; C604-A631 HydrophobicContact CB-CB 3.68Å; C604-A631 VanDerWaalsContact CB-O 3.31Å; C604-A631 WeakPolarHBondContact CB-O 3.46Å; C604-I634 VanDerWaalsContact SG-CB 3.5Å
605	C	95.4	Very high	93.7	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	152.8	-178.7	-70.2	0	0	0	0	112	A586 A588 S603 D607 G608 N609 A631	A586-C605 HydrophobicContact CB-CB 3.48Å; A586-C605 VanDerWaalsContact CB-CB 3.48Å; A588-C605 WeakPolarHBondContact O-CA 3.35Å; S603-C605 PolarHBondContact O-N 3.32Å; C605-D607 WeakPolarHBondContact CB-OD1 3.45Å; C605-D607 PolarHBondContact O-N 3.04Å; C605-D607 VanDerWaalsContact O-N 3.15Å; C605-G608 PolarHBondContact O-N 2.85Å; C605-G608 VanDerWaalsContact O-N 3.15Å; C605-N609 VanDerWaalsContact CB-O 3.3Å; C605-N609 WeakPolarHBondContact CB-O 3.33Å; C605-N609 PolarHBondContact N-O 2.95Å; C605-A631 PolarHBondContact O-N 3.1Å
606	S	94.9	Very high	93.6	Very high	23 Å²	23	34 Å²	34	16%	0.161	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-3.5	-178.8	64	0	0	0	0	114.6	P587 A588	P587-S606 WeakPolarHBondContact CG-OG 3.48Å; A588-S606 PolarHBondContact N-OG 2.78Å; A588-S606 PolarHBondContact O-N 2.93Å
607	D	93.4	Very high	93.8	Very high	59 Å²	59	34.2 Å²	34.2	32%	0.316	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	7.4	173.5	64.9	-13.3	0	0	0	112.7	C605 N609	C605-D607 WeakPolarHBondContact CB-OD1 3.45Å; C605-D607 PolarHBondContact O-N 3.04Å; C605-D607 VanDerWaalsContact O-N 3.15Å; D607-N609 VanDerWaalsContact C-N 3.26Å; D607-N609 PolarHBondContact O-N 2.89Å; D607-N609 WeakPolarHBondContact OD1-CB 3.4Å; D607-N609 PolarHBondContact OD1-N 2.82Å; D607-N609 VanDerWaalsContact OD1-N 3.07Å; D607-N609 PolarHBondContact OD2-ND2 3.5Å
608	G	92.6	Very high	93.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	84.6	-9.2	-177.2	0	0	0	0	0	114.3	C605 D629	C605-G608 PolarHBondContact O-N 2.85Å; C605-G608 VanDerWaalsContact O-N 3.15Å; G608-D629 WeakPolarHBondContact CA-O 3.37Å
609	N	94.7	Very high	94	Very high	26 Å²	26	36.2 Å²	36.2	14%	0.139	19%	0.185	C	C	.	.			trans	-82.3	149.7	-178.6	-65.1	-52.2	0	0	0	112	C605 D607 Q623 F624 Q625	C605-N609 VanDerWaalsContact CB-O 3.3Å; C605-N609 WeakPolarHBondContact CB-O 3.33Å; C605-N609 PolarHBondContact N-O 2.95Å; D607-N609 VanDerWaalsContact C-N 3.26Å; D607-N609 PolarHBondContact O-N 2.89Å; D607-N609 WeakPolarHBondContact OD1-CB 3.4Å; D607-N609 PolarHBondContact OD1-N 2.82Å; D607-N609 VanDerWaalsContact OD1-N 3.07Å; D607-N609 PolarHBondContact OD2-ND2 3.5Å; N609-Q623 HydrophobicContact CB-CG 3.8Å; N609-Q623 VanDerWaalsContact CB-NE2 3.3Å; N609-Q623 PolarHBondContact ND2-NE2 3.16Å; N609-F624 WeakPolarHBondContact CA-O 3.33Å; N609-Q625 WeakPolarHBondContact OD1-CA 3.45Å; N609-Q625 WeakPolarHBondContact OD1-CG 3.5Å
610	I	95.8	Very high	94.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	104.8	173.3	-36.7	-62.8	0	0	0	108.2	F602 S603 Q623 F624 A631 I634 L643 T645	F602-I610 HydrophobicContact CB-CG2 4.38Å; S603-I610 WeakPolarHBondContact O-CA 3.39Å; I610-Q623 CarbonylContact O-C 3.59Å; I610-Q623 WeakPolarHBondContact O-CA 3.4Å; I610-F624 HydrophobicContact CB-CB 4Å; I610-F624 HydrophobicContact CB-CD2 4Å; I610-F624 HydrophobicContact CB-CG 4.48Å; I610-F624 HydrophobicContact CG1-CB 4.11Å; I610-F624 HydrophobicContact CG2-CD2 4.28Å; I610-F624 PolarHBondContact N-O 2.88Å; I610-F624 PolarHBondContact O-N 3.44Å; I610-A631 HydrophobicContact CD1-CB 3.43Å; I610-A631 VanDerWaalsContact CD1-CB 3.43Å; I610-I634 HydrophobicContact CG2-CD1 3.85Å; I610-L643 HydrophobicContact CG2-CD2 4.1Å; I610-T645 HydrophobicContact CD1-CG2 3.75Å; I610-T645 HydrophobicContact CG1-CG2 4.03Å
611	A	95.1	Very high	94.1	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.008	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	128.9	179.2	0	0	0	0	0	110.6	F602 S603 W613 L620	F602-A611 WeakPolarHBondContact CA-O 3.34Å; S603-A611 PolarHBondContact N-O 3.48Å; S603-A611 PolarHBondContact O-N 2.85Å; A611-W613 HydrophobicContact CB-CZ2 4.48Å; A611-L620 HydrophobicContact CB-CD1 3.69Å
612	V	95.3	Very high	93.9	Very high	10 Å²	10	41.4 Å²	41.4	6%	0.061	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	113	-178.8	-169.4	0	0	0	0	109.3	V600 F602 V621 R622 F624	V600-V612 HydrophobicContact CG1-CG1 3.45Å; V600-V612 VanDerWaalsContact CG1-CG1 3.45Å; F602-V612 HydrophobicContact CD1-CB 4.43Å; F602-V612 HydrophobicContact CD1-CG1 4.02Å; F602-V612 HydrophobicContact CD1-CG2 3.97Å; F602-V612 HydrophobicContact CE1-CB 4.47Å; F602-V612 HydrophobicContact CE1-CG1 3.67Å; F602-V612 HydrophobicContact CE1-CG2 4.11Å; F602-V612 HydrophobicContact CZ-CG1 4.49Å; V612-V621 HydrophobicContact CB-CG2 4.26Å; V612-V621 HydrophobicContact CG1-CG2 3.89Å; V612-V621 VanDerWaalsContact O-CG2 3.31Å; V612-V621 WeakPolarHBondContact O-CG2 3.48Å; V612-V621 PolarHBondContact O-N 2.97Å; V612-R622 WeakPolarHBondContact CA-O 3.35Å; V612-R622 HydrophobicContact CB-CB 3.96Å; V612-R622 VanDerWaalsContact CB-O 3.28Å; V612-R622 WeakPolarHBondContact CB-O 3.15Å; V612-R622 HydrophobicContact CG2-CB 3.99Å; V612-R622 WeakPolarHBondContact CG2-O 3.46Å; V612-R622 PolarHBondContact N-O 3.45Å; V612-R622 PolarHBondContact O-N 3.42Å; V612-F624 HydrophobicContact CG2-CD2 3.96Å; V612-F624 HydrophobicContact CG2-CE2 3.57Å; V612-F624 HydrophobicContact CG2-CZ 3.96Å
613	W	95.3	Very high	93.7	Very high	10 Å²	10	43.7 Å²	43.7	4%	0.038	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.2	-172.3	-63.3	96.6	0	0	0	112.1	L582 T583 V600 C601 A611 T619 L620	L582-W613 HydrophobicContact CB-CD2 4.06Å; L582-W613 HydrophobicContact CB-CE3 3.86Å; L582-W613 HydrophobicContact CB-CH2 4.15Å; L582-W613 HydrophobicContact CB-CZ2 4.32Å; L582-W613 HydrophobicContact CB-CZ3 3.9Å; L582-W613 HydrophobicContact CD1-CB 3.84Å; L582-W613 HydrophobicContact CD1-CD2 3.85Å; L582-W613 HydrophobicContact CD1-CE3 4.02Å; L582-W613 HydrophobicContact CD1-CG 3.78Å; L582-W613 HydrophobicContact CD2-CE3 3.97Å; L582-W613 HydrophobicContact CD2-CZ3 4.37Å; L582-W613 HydrophobicContact CG-CD2 4.41Å; L582-W613 HydrophobicContact CG-CE3 4.17Å; T583-W613 WeakPolarHBondContact O-CH2 3.45Å; V600-W613 CarbonylContact C-O 3.48Å; V600-W613 VanDerWaalsContact CA-O 3.28Å; V600-W613 WeakPolarHBondContact CA-O 3.27Å; C601-W613 HydrophobicContact CB-CB 4.42Å; C601-W613 PolarHBondContact N-O 3.08Å; C601-W613 PolarHBondContact O-N 3.32Å; A611-W613 HydrophobicContact CB-CZ2 4.48Å; W613-T619 WeakPolarHBondContact CA-O 3.38Å; W613-L620 HydrophobicContact CD2-CD1 4.13Å; W613-L620 HydrophobicContact CE3-CB 4.02Å; W613-L620 HydrophobicContact CE3-CD1 4.47Å; W613-L620 HydrophobicContact CH2-CB 4.02Å; W613-L620 HydrophobicContact CH2-CD1 4.37Å; W613-L620 HydrophobicContact CZ2-CD1 4.03Å; W613-L620 HydrophobicContact CZ3-CB 3.76Å
614	D	94.5	Very high	93.6	Very high	31 Å²	31	43.9 Å²	43.9	17%	0.166	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	120.2	167	-179.5	-30.6	0	0	0	109.5	H616 N617 Q618 T619 V621	D614-H616 WeakPolarHBondContact OD1-CA 3.39Å; D614-H616 WeakPolarHBondContact OD1-CB 3.29Å; D614-H616 PolarHBondContact OD1-N 3.5Å; D614-N617 HydrophobicContact CB-CB 4.34Å; D614-N617 PolarHBondContact OD1-N 2.51Å; D614-N617 PolarHBondContact OD2-ND2 2.92Å; D614-Q618 WeakPolarHBondContact O-CA 3.31Å; D614-Q618 PolarHBondContact O-N 2.94Å; D614-T619 PolarHBondContact N-O 2.84Å; D614-T619 PolarHBondContact O-N 3.32Å; D614-V621 HydrophobicContact CB-CG1 3.71Å
615	L	91.9	Very high	93.3	Very high	22 Å²	22	50 Å²	50	12%	0.115	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-12.8	-176.4	-61.3	179.9	0	0	0	114.2	L551 I558 I568 L582 K599 C601	L551-L615 HydrophobicContact CD1-CD1 4.22Å; L551-L615 HydrophobicContact CD2-CD1 4.36Å; I558-L615 HydrophobicContact CD1-CD1 3.77Å; I558-L615 HydrophobicContact CD1-CD2 3.36Å; I558-L615 HydrophobicContact CD1-CG 4.21Å; I568-L615 HydrophobicContact CD1-CD2 3.94Å; L582-L615 HydrophobicContact CD1-CD2 4.45Å; K599-L615 WeakPolarHBondContact O-CB 3.42Å; K599-L615 PolarHBondContact O-N 2.76Å; C601-L615 HydrophobicContact CB-CD1 4.12Å; C601-L615 HydrophobicContact CB-CD2 3.68Å; C601-L615 HydrophobicContact CB-CG 4.11Å
616	H	90.6	Very high	92.9	Very high	156 Å²	156	51.3 Å²	51.3	72%	0.722	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-50.9	172.3	-173.5	78.7	0	0	0	110.4	D614	D614-H616 WeakPolarHBondContact OD1-CA 3.39Å; D614-H616 WeakPolarHBondContact OD1-CB 3.29Å; D614-H616 PolarHBondContact OD1-N 3.5Å
617	N	91.4	Very high	92.8	Very high	98 Å²	98	50.7 Å²	50.7	52%	0.524	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-13.5	-176.5	-66.8	-59.7	0	0	0	114	D614 T619	D614-N617 HydrophobicContact CB-CB 4.34Å; D614-N617 PolarHBondContact OD1-N 2.51Å; D614-N617 PolarHBondContact OD2-ND2 2.92Å; N617-T619 VanDerWaalsContact C-N 3.25Å; N617-T619 HydrophobicContact CB-CG2 4.44Å; N617-T619 PolarHBondContact O-N 2.76Å
618	Q	92.6	Very high	92.8	Very high	90 Å²	90	53.8 Å²	53.8	42%	0.421	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	30.1	-179.2	-56.2	164.9	33.9	0	0	113.2	A580 L582 D614	A580-Q618 HydrophobicContact CB-CG 3.96Å; L582-Q618 HydrophobicContact CD2-CB 3.81Å; L582-Q618 HydrophobicContact CD2-CG 4.42Å; D614-Q618 WeakPolarHBondContact O-CA 3.31Å; D614-Q618 PolarHBondContact O-N 2.94Å
619	T	92.3	Very high	92.9	Very high	68 Å²	68	57.2 Å²	57.2	42%	0.417	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	147.4	-175.1	48.8	0	0	0	0	112.3	W613 D614 N617 V621	W613-T619 WeakPolarHBondContact CA-O 3.38Å; D614-T619 PolarHBondContact N-O 2.84Å; D614-T619 PolarHBondContact O-N 3.32Å; N617-T619 VanDerWaalsContact C-N 3.25Å; N617-T619 HydrophobicContact CB-CG2 4.44Å; N617-T619 PolarHBondContact O-N 2.76Å; T619-V621 PolarHBondContact O-N 2.89Å
620	L	93.9	Very high	92.9	Very high	83 Å²	83	56 Å²	56	44%	0.435	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	112.9	166.1	-175.5	71.9	0	0	0	108.3	A611 W613 R622	A611-L620 HydrophobicContact CB-CD1 3.69Å; W613-L620 HydrophobicContact CD2-CD1 4.13Å; W613-L620 HydrophobicContact CE3-CB 4.02Å; W613-L620 HydrophobicContact CE3-CD1 4.47Å; W613-L620 HydrophobicContact CH2-CB 4.02Å; W613-L620 HydrophobicContact CH2-CD1 4.37Å; W613-L620 HydrophobicContact CZ2-CD1 4.03Å; W613-L620 HydrophobicContact CZ3-CB 3.76Å; L620-R622 WeakPolarHBondContact CD1-O 3.18Å
621	V	92.7	Very high	92.9	Very high	83 Å²	83	56 Å²	56	50%	0.503	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-25	-176.6	-67.5	0	0	0	0	113.6	V612 D614 T619	V612-V621 HydrophobicContact CB-CG2 4.26Å; V612-V621 HydrophobicContact CG1-CG2 3.89Å; V612-V621 VanDerWaalsContact O-CG2 3.31Å; V612-V621 WeakPolarHBondContact O-CG2 3.48Å; V612-V621 PolarHBondContact O-N 2.97Å; D614-V621 HydrophobicContact CB-CG1 3.71Å; T619-V621 PolarHBondContact O-N 2.89Å
622	R	90.8	Very high	93	Very high	100 Å²	100	56.8 Å²	56.8	38%	0.377	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	159.6	177.7	-167.4	175.7	-76.6	173.3	-16	109.4	V612 L620 F624 L657 R658 G660	V612-R622 WeakPolarHBondContact CA-O 3.35Å; V612-R622 HydrophobicContact CB-CB 3.96Å; V612-R622 VanDerWaalsContact CB-O 3.28Å; V612-R622 WeakPolarHBondContact CB-O 3.15Å; V612-R622 HydrophobicContact CG2-CB 3.99Å; V612-R622 WeakPolarHBondContact CG2-O 3.46Å; V612-R622 PolarHBondContact N-O 3.45Å; V612-R622 PolarHBondContact O-N 3.42Å; L620-R622 WeakPolarHBondContact CD1-O 3.18Å; R622-F624 HydrophobicContact CG-CD1 4.46Å; R622-F624 HydrophobicContact CG-CE1 4.09Å; R622-L657 PolarHBondContact NH1-O 3.12Å; R622-R658 PolarHBondContact NH1-O 2.91Å; R622-R658 VanDerWaalsContact NH1-O 3.11Å; R622-R658 PolarHBondContact NH2-O 3.5Å; R622-G660 VanDerWaalsContact NH1-CA 3.27Å
623	Q	92.4	Very high	93	Very high	56 Å²	56	56.7 Å²	56.7	26%	0.262	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	127.1	168.3	-170.2	-176.3	42	0	0	107.4	N609 I610 Q625	N609-Q623 HydrophobicContact CB-CG 3.8Å; N609-Q623 VanDerWaalsContact CB-NE2 3.3Å; N609-Q623 PolarHBondContact ND2-NE2 3.16Å; I610-Q623 CarbonylContact O-C 3.59Å; I610-Q623 WeakPolarHBondContact O-CA 3.4Å; Q623-Q625 HydrophobicContact CG-CG 4.31Å
624	F	93.3	Very high	93.1	Very high	4 Å²	4	57.1 Å²	57.1	2%	0.018	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	127.5	168.6	-53.5	-53.6	0	0	0	108.6	F602 N609 I610 V612 R622 L643 W655 L657	F602-F624 HydrophobicContact CD1-CE2 4.29Å; F602-F624 HydrophobicContact CE1-CE2 4.19Å; N609-F624 WeakPolarHBondContact CA-O 3.33Å; I610-F624 HydrophobicContact CB-CB 4Å; I610-F624 HydrophobicContact CB-CD2 4Å; I610-F624 HydrophobicContact CB-CG 4.48Å; I610-F624 HydrophobicContact CG1-CB 4.11Å; I610-F624 HydrophobicContact CG2-CD2 4.28Å; I610-F624 PolarHBondContact N-O 2.88Å; I610-F624 PolarHBondContact O-N 3.44Å; V612-F624 HydrophobicContact CG2-CD2 3.96Å; V612-F624 HydrophobicContact CG2-CE2 3.57Å; V612-F624 HydrophobicContact CG2-CZ 3.96Å; R622-F624 HydrophobicContact CG-CD1 4.46Å; R622-F624 HydrophobicContact CG-CE1 4.09Å; F624-L643 HydrophobicContact CD2-CD2 3.87Å; F624-L643 HydrophobicContact CE2-CD2 3.72Å; F624-W655 HydrophobicContact CB-CD2 4.06Å; F624-W655 HydrophobicContact CB-CE3 3.79Å; F624-W655 HydrophobicContact CB-CH2 4.21Å; F624-W655 HydrophobicContact CB-CZ2 4.43Å; F624-W655 HydrophobicContact CB-CZ3 3.88Å; F624-W655 HydrophobicContact CD1-CE3 4.3Å; F624-W655 HydrophobicContact CG-CD2 4.26Å; F624-W655 HydrophobicContact CG-CE3 4.11Å; F624-L657 HydrophobicContact CE2-CD2 4.04Å; F624-L657 HydrophobicContact CZ-CD2 4.1Å
625	Q	91.7	Very high	93.1	Very high	130 Å²	130	58.1 Å²	58.1	61%	0.607	31%	0.306	S	S	*	.			trans	-117.8	134.9	-178.4	-51.9	-171.8	-20.8	0	0	108	N609 Q623 W655	N609-Q625 WeakPolarHBondContact OD1-CA 3.45Å; N609-Q625 WeakPolarHBondContact OD1-CG 3.5Å; Q623-Q625 HydrophobicContact CG-CG 4.31Å; Q625-W655 WeakPolarHBondContact O-CH2 3.44Å
626	G	85.1	Confident	93.2	Very high	28 Å²	28	57.9 Å²	57.9	29%	0.289	31%	0.305	S	S	.	.			trans	168	-38.6	174.5	0	0	0	0	0	115.4	T628 R653	G626-T628 PolarHBondContact O-N 2.95Å; G626-R653 PolarHBondContact O-NH1 2.75Å; G626-R653 PolarHBondContact O-NH2 3.27Å
627	H	94	Very high	93.3	Very high	9 Å²	9	50.6 Å²	50.6	4%	0.042	27%	0.272	C	S	.	.			trans	-62	135.6	170.9	-70	-80.5	0	0	0	109.4	D629 T645 G647 D649 T651 R653	H627-D629 WeakPolarHBondContact CB-O 3.32Å; H627-T645 PolarHBondContact NE2-OG1 3.12Å; H627-G647 PolarHBondContact CE1-N 3.03Å; H627-D649 VanDerWaalsContact CA-OD2 3.23Å; H627-D649 WeakPolarHBondContact CA-OD2 3.45Å; H627-D649 IonicContact CE1-OD1 2.67Å; H627-D649 IonicContact CG-OD1 2.72Å; H627-D649 IonicContact CG-OD2 3.49Å; H627-D649 IonicContact ND1-OD1 2.91Å; H627-D649 PolarHBondContact ND1-OD1 2.96Å; H627-D649 IonicContact ND1-OD2 2.86Å; H627-D649 PolarHBondContact ND1-OD2 3.04Å; H627-T651 PolarHBondContact CE1-O 2.67Å; H627-T651 PolarHBondContact CE1-OG1 3.08Å; H627-T651 PolarHBondContact ND1-OG1 3.02Å; H627-T651 VanDerWaalsContact ND1-OG1 3.08Å; H627-R653 PolarHBondContact ND1-NE 2.96Å
628	T	93.6	Very high	93.1	Very high	124 Å²	124	52.3 Å²	52.3	76%	0.761	28%	0.276	S	S	*	.	S	Bend	trans	-92.1	-2.2	-176.1	59.9	0	0	0	0	113.8	G626 D649	G626-T628 PolarHBondContact O-N 2.95Å; T628-D649 PolarHBondContact N-OD2 3.22Å; T628-D649 VanDerWaalsContact N-OD2 3.16Å; T628-D649 WeakPolarHBondContact OG1-CB 3.39Å
629	D	94.8	Very high	92.7	Very high	73 Å²	73	52.7 Å²	52.7	39%	0.39	28%	0.281	S	S	.	.	S	Bend	trans	-146.9	169.9	174.7	-166.4	1.2	0	0	0	107.7	G608 H627 A631 L648 D649	G608-D629 WeakPolarHBondContact CA-O 3.37Å; H627-D629 WeakPolarHBondContact CB-O 3.32Å; D629-A631 PolarHBondContact O-N 3.32Å; D629-L648 HydrophobicContact CB-CB 4.07Å; D629-L648 WeakPolarHBondContact OD2-CB 3.47Å; D629-D649 HydrophobicContact CB-CB 4.19Å
630	G	93.3	Very high	92.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.274	C	S	.	.			trans	-46.9	133.2	-171	0	0	0	0	0	114.6	S632 L648	G630-S632 PolarHBondContact O-N 2.91Å; G630-L648 WeakPolarHBondContact O-CG 3.48Å; G630-L648 PolarHBondContact O-N 2.74Å
631	A	96.6	Very high	92.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	118.4	173.2	0	0	0	0	0	108.8	Y590 C604 C605 I610 D629 G646	Y590-A631 WeakPolarHBondContact CD2-O 3.46Å; C604-A631 HydrophobicContact CB-CB 3.68Å; C604-A631 VanDerWaalsContact CB-O 3.31Å; C604-A631 WeakPolarHBondContact CB-O 3.46Å; C605-A631 PolarHBondContact O-N 3.1Å; I610-A631 HydrophobicContact CD1-CB 3.43Å; I610-A631 VanDerWaalsContact CD1-CB 3.43Å; D629-A631 PolarHBondContact O-N 3.32Å; A631-G646 CarbonylContact C-O 3.53Å
632	S	96.1	Very high	92.2	Very high	17 Å²	17	48.2 Å²	48.2	12%	0.119	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	-37	-170.2	58	0	0	0	0	113.1	A591 G630 G646 I672	A591-S632 WeakPolarHBondContact CB-O 3.44Å; G630-S632 PolarHBondContact O-N 2.91Å; S632-G646 PolarHBondContact N-O 2.85Å; S632-G646 PolarHBondContact OG-O 3.08Å; S632-G646 VanDerWaalsContact OG-O 3.11Å; S632-I672 VanDerWaalsContact CB-O 3.31Å; S632-I672 WeakPolarHBondContact CB-O 3.38Å; S632-I672 PolarHBondContact OG-O 3.4Å
633	C	96.1	Very high	92.4	Very high	9 Å²	9	43.5 Å²	43.5	6%	0.061	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	159.5	-171.4	58.6	0	0	0	0	112.8	T645 G646 S674 L675	C633-T645 WeakPolarHBondContact O-CA 3.49Å; C633-G646 PolarHBondContact N-O 2.88Å; C633-G646 PolarHBondContact O-N 3.26Å; C633-S674 VanDerWaalsContact SG-C 3.51Å; C633-L675 HydrophobicContact CB-CG 4.23Å
634	I	96.9	Very high	92.6	Very high	18 Å²	18	41 Å²	41	9%	0.092	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	142.1	-169.5	-175.3	162.8	0	0	0	112.2	A591 A593 F602 C604 I610 L643 W644 T645	A591-I634 HydrophobicContact CB-CG2 3.73Å; A593-I634 HydrophobicContact CB-CD1 4.27Å; A593-I634 HydrophobicContact CB-CG1 3.96Å; A593-I634 HydrophobicContact CB-CG2 4.04Å; F602-I634 HydrophobicContact CB-CD1 3.49Å; F602-I634 VanDerWaalsContact CB-CD1 3.49Å; F602-I634 HydrophobicContact CG-CD1 4.44Å; C604-I634 VanDerWaalsContact SG-CB 3.5Å; I610-I634 HydrophobicContact CG2-CD1 3.85Å; I634-L643 HydrophobicContact CD1-CD1 3.9Å; I634-L643 HydrophobicContact CD1-CD2 4Å; I634-L643 HydrophobicContact CD1-CG 4.09Å; I634-L643 HydrophobicContact CG1-CD1 3.86Å; I634-L643 HydrophobicContact CG1-CG 4.17Å; I634-W644 VanDerWaalsContact CA-O 3.3Å; I634-W644 WeakPolarHBondContact CA-O 3.47Å; I634-T645 HydrophobicContact CB-CG2 4.29Å; I634-T645 HydrophobicContact CD1-CG2 3.94Å; I634-T645 HydrophobicContact CG1-CG2 3.92Å
635	D	95.9	Very high	92.7	Very high	52 Å²	52	40.8 Å²	40.8	28%	0.278	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	165.5	170.4	-155.6	-0.6	0	0	0	111	W644 L675 G676 Y677	D635-W644 PolarHBondContact N-O 2.86Å; D635-W644 PolarHBondContact O-N 3.36Å; D635-L675 HydrophobicContact CB-CD1 3.57Å; D635-G676 WeakPolarHBondContact OD2-CA 3.34Å; D635-Y677 PolarHBondContact OD2-N 2.69Å
636	I	94.1	Very high	93	Very high	17 Å²	17	34.6 Å²	34.6	9%	0.087	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	142.3	-176.6	-52.4	179.9	0	0	0	109.3	A593 I594 F602 K642 L643 L657	A593-I636 HydrophobicContact CB-CD1 4.29Å; A593-I636 HydrophobicContact CB-CG1 4.2Å; I594-I636 VanDerWaalsContact O-CD1 3.24Å; I594-I636 WeakPolarHBondContact O-CD1 3.4Å; F602-I636 HydrophobicContact CD2-CD1 3.96Å; F602-I636 HydrophobicContact CE2-CD1 3.79Å; I636-K642 WeakPolarHBondContact CG2-O 3.41Å; I636-L643 HydrophobicContact CG1-CD1 3.76Å; I636-L657 HydrophobicContact CG2-CD1 4.24Å
637	S	91.7	Very high	93.4	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.021	19%	0.185	C	C	.	.			trans	-65.3	150.8	173.5	57.2	0	0	0	0	112.2	D639 G640 K642	S637-D639 VanDerWaalsContact CB-OD1 3.28Å; S637-D639 WeakPolarHBondContact CB-OD1 3.47Å; S637-D639 PolarHBondContact O-N 2.95Å; S637-D639 VanDerWaalsContact O-N 3.13Å; S637-D639 PolarHBondContact OG-OD1 2.89Å; S637-G640 WeakPolarHBondContact O-CA 3.36Å; S637-G640 PolarHBondContact O-N 3.39Å; S637-K642 PolarHBondContact N-O 2.79Å; S637-K642 WeakPolarHBondContact OG-CA 3.23Å; S637-K642 WeakPolarHBondContact OG-CB 3.28Å; S637-K642 PolarHBondContact OG-N 3.04Å; S637-K642 PolarHBondContact OG-O 2.81Å
638	H	86.5	Confident	93.5	Very high	135 Å²	135	34.5 Å²	34.5	63%	0.625	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-35	-178.4	173.4	82.8	0	0	0	114	G640 Y677 P679	H638-G640 PolarHBondContact O-N 3.3Å; H638-Y677 HydrophobicContact CB-CE1 4.21Å; H638-P679 PolarHBondContact CE1-O 3.4Å; H638-P679 PolarHBondContact ND1-O 3.2Å
639	D	85.7	Confident	93.6	Very high	98 Å²	98	29.7 Å²	29.7	52%	0.524	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-6	178	70.1	-17.9	0	0	0	114	S637 T641	S637-D639 VanDerWaalsContact CB-OD1 3.28Å; S637-D639 WeakPolarHBondContact CB-OD1 3.47Å; S637-D639 PolarHBondContact O-N 2.95Å; S637-D639 VanDerWaalsContact O-N 3.13Å; S637-D639 PolarHBondContact OG-OD1 2.89Å; D639-T641 HydrophobicContact CB-CG2 4.29Å; D639-T641 VanDerWaalsContact CG-OG1 3.23Å; D639-T641 PolarHBondContact O-N 2.9Å; D639-T641 PolarHBondContact OD1-N 3.45Å; D639-T641 VanDerWaalsContact OD1-N 3.09Å; D639-T641 PolarHBondContact OD1-OG1 3.27Å; D639-T641 WeakPolarHBondContact OD2-CB 2.99Å; D639-T641 VanDerWaalsContact OD2-CG2 3.26Å; D639-T641 WeakPolarHBondContact OD2-CG2 3.45Å; D639-T641 PolarHBondContact OD2-OG1 3.35Å
640	G	86.5	Confident	93.6	Very high	26 Å²	26	28.8 Å²	28.8	27%	0.268	16%	0.157	S	C	.	.	S	Bend	trans	68.8	10.8	-177.2	0	0	0	0	0	115	S637 H638	S637-G640 WeakPolarHBondContact O-CA 3.36Å; S637-G640 PolarHBondContact O-N 3.39Å; H638-G640 PolarHBondContact O-N 3.3Å
641	T	89.3	Confident	93.8	Very high	64 Å²	64	29.1 Å²	29.1	39%	0.393	16%	0.159	S	C	.	.	S	Bend	trans	-93.5	-25.3	-176.2	74.4	0	0	0	0	113.9	D639 L657	D639-T641 HydrophobicContact CB-CG2 4.29Å; D639-T641 VanDerWaalsContact CG-OG1 3.23Å; D639-T641 PolarHBondContact O-N 2.9Å; D639-T641 PolarHBondContact OD1-N 3.45Å; D639-T641 VanDerWaalsContact OD1-N 3.09Å; D639-T641 PolarHBondContact OD1-OG1 3.27Å; D639-T641 WeakPolarHBondContact OD2-CB 2.99Å; D639-T641 VanDerWaalsContact OD2-CG2 3.26Å; D639-T641 WeakPolarHBondContact OD2-CG2 3.45Å; D639-T641 PolarHBondContact OD2-OG1 3.35Å; T641-L657 WeakPolarHBondContact O-CB 3.46Å; T641-L657 PolarHBondContact O-N 2.98Å
642	K	92.3	Very high	93.8	Very high	50 Å²	50	29.2 Å²	29.2	22%	0.217	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	149.2	-176.7	-59.8	180	-176.3	-178.6	0	112.8	I636 S637 W655 L663	I636-K642 WeakPolarHBondContact CG2-O 3.41Å; S637-K642 PolarHBondContact N-O 2.79Å; S637-K642 WeakPolarHBondContact OG-CA 3.23Å; S637-K642 WeakPolarHBondContact OG-CB 3.28Å; S637-K642 PolarHBondContact OG-N 3.04Å; S637-K642 PolarHBondContact OG-O 2.81Å; K642-W655 VanDerWaalsContact CA-O 3.23Å; K642-W655 WeakPolarHBondContact CA-O 3.29Å; K642-L663 HydrophobicContact CD-CD1 4.01Å; K642-L663 HydrophobicContact CG-CD1 4.13Å
643	L	95.3	Very high	93.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	139.7	169.8	-161.9	64.2	0	0	0	108.9	F602 I610 F624 I634 I636 T645 S654 W655 L657	F602-L643 HydrophobicContact CB-CD1 4.45Å; F602-L643 HydrophobicContact CB-CD2 4.45Å; F602-L643 HydrophobicContact CD1-CD1 4.27Å; F602-L643 HydrophobicContact CD1-CD2 3.72Å; F602-L643 HydrophobicContact CD2-CD1 4.05Å; F602-L643 HydrophobicContact CE1-CD2 4.21Å; F602-L643 HydrophobicContact CE2-CD1 4.41Å; F602-L643 HydrophobicContact CG-CD1 3.99Å; F602-L643 HydrophobicContact CG-CD2 4.12Å; I610-L643 HydrophobicContact CG2-CD2 4.1Å; F624-L643 HydrophobicContact CD2-CD2 3.87Å; F624-L643 HydrophobicContact CE2-CD2 3.72Å; I634-L643 HydrophobicContact CD1-CD1 3.9Å; I634-L643 HydrophobicContact CD1-CD2 4Å; I634-L643 HydrophobicContact CD1-CG 4.09Å; I634-L643 HydrophobicContact CG1-CD1 3.86Å; I634-L643 HydrophobicContact CG1-CG 4.17Å; I636-L643 HydrophobicContact CG1-CD1 3.76Å; L643-T645 HydrophobicContact CD2-CG2 4.33Å; L643-T645 HydrophobicContact CG-CG2 4.25Å; L643-S654 CarbonylContact O-C 3.54Å; L643-S654 VanDerWaalsContact O-CA 3.25Å; L643-S654 WeakPolarHBondContact O-CA 3.35Å; L643-W655 HydrophobicContact CB-CB 4.16Å; L643-W655 PolarHBondContact N-O 2.62Å; L643-W655 PolarHBondContact O-N 2.86Å; L643-L657 HydrophobicContact CB-CD2 3.8Å; L643-L657 HydrophobicContact CB-CG 4.19Å; L643-L657 HydrophobicContact CD1-CD2 4.46Å; L643-L657 HydrophobicContact CD2-CD2 4.14Å; L643-L657 HydrophobicContact CG-CD2 4.39Å
644	W	95.6	Very high	93.7	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.015	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.1	171.2	-69	90.5	0	0	0	109.3	I634 D635 V652 R653 L675 Y677 L684 H698	I634-W644 VanDerWaalsContact CA-O 3.3Å; I634-W644 WeakPolarHBondContact CA-O 3.47Å; D635-W644 PolarHBondContact N-O 2.86Å; D635-W644 PolarHBondContact O-N 3.36Å; W644-V652 HydrophobicContact CE3-CG1 3.99Å; W644-V652 HydrophobicContact CZ3-CG1 4.46Å; W644-R653 WeakPolarHBondContact CA-O 3.4Å; W644-L675 HydrophobicContact CB-CD1 4.3Å; W644-Y677 AromaticContact CD1-CD2 3.59Å; W644-Y677 HydrophobicContact CG-CD2 4.4Å; W644-Y677 AromaticContact NE1-CD2 3.43Å; W644-Y677 AromaticContact NE1-CE2 3.46Å; W644-L684 HydrophobicContact CB-CD1 4Å; W644-L684 HydrophobicContact CD2-CD1 4.04Å; W644-L684 HydrophobicContact CD2-CD2 4.07Å; W644-L684 HydrophobicContact CE3-CD1 4.36Å; W644-L684 HydrophobicContact CE3-CD2 3.56Å; W644-L684 HydrophobicContact CG-CD1 3.88Å; W644-L684 HydrophobicContact CZ3-CD2 3.88Å; W644-H698 HydrophobicContact CZ2-CB 4.23Å
645	T	96.6	Very high	93.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.8	180	59.4	0	0	0	0	111	I610 H627 C633 I634 L643 V652 R653 W655	I610-T645 HydrophobicContact CD1-CG2 3.75Å; I610-T645 HydrophobicContact CG1-CG2 4.03Å; H627-T645 PolarHBondContact NE2-OG1 3.12Å; C633-T645 WeakPolarHBondContact O-CA 3.49Å; I634-T645 HydrophobicContact CB-CG2 4.29Å; I634-T645 HydrophobicContact CD1-CG2 3.94Å; I634-T645 HydrophobicContact CG1-CG2 3.92Å; L643-T645 HydrophobicContact CD2-CG2 4.33Å; L643-T645 HydrophobicContact CG-CG2 4.25Å; T645-V652 CarbonylContact O-C 3.56Å; T645-V652 WeakPolarHBondContact O-CA 3.42Å; T645-R653 PolarHBondContact N-O 2.91Å; T645-R653 PolarHBondContact O-N 2.82Å; T645-W655 PolarHBondContact OG1-NE1 2.86Å
646	G	96.4	Very high	93.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	141.8	173.8	0	0	0	0	0	109.8	A631 S632 C633 L675	A631-G646 CarbonylContact C-O 3.53Å; S632-G646 PolarHBondContact N-O 2.85Å; S632-G646 PolarHBondContact OG-O 3.08Å; S632-G646 VanDerWaalsContact OG-O 3.11Å; C633-G646 PolarHBondContact N-O 2.88Å; C633-G646 PolarHBondContact O-N 3.26Å; G646-L675 VanDerWaalsContact N-CD2 3.31Å
647	G	94.9	Very high	93.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	160.5	-178.6	0	0	0	0	0	113.8	H627 D649 T651 I672	H627-G647 PolarHBondContact CE1-N 3.03Å; G647-D649 WeakPolarHBondContact CA-OD1 3.33Å; G647-D649 PolarHBondContact O-N 2.69Å; G647-T651 PolarHBondContact N-O 2.83Å; G647-I672 PolarHBondContact O-N 3.48Å
648	L	95.9	Very high	93	Very high	34 Å²	34	38.6 Å²	38.6	18%	0.178	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-8.8	162.6	-60.4	-179.1	0	0	0	112.1	Y590 D629 G630 N650 Q671 F673	Y590-L648 HydrophobicContact CE2-CD1 4.47Å; D629-L648 HydrophobicContact CB-CB 4.07Å; D629-L648 WeakPolarHBondContact OD2-CB 3.47Å; G630-L648 WeakPolarHBondContact O-CG 3.48Å; G630-L648 PolarHBondContact O-N 2.74Å; L648-N650 PolarHBondContact O-N 3.45Å; L648-Q671 HydrophobicContact CD2-CB 4.3Å; L648-Q671 PolarHBondContact O-NE2 2.9Å; L648-F673 HydrophobicContact CD2-CD1 3.9Å; L648-F673 HydrophobicContact CD2-CE1 3.66Å
649	D	95.1	Very high	92.9	Very high	24 Å²	24	37.6 Å²	37.6	13%	0.128	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	14.2	172.1	74.2	-18.7	0	0	0	114.3	H627 T628 D629 G647 T651 R653	H627-D649 VanDerWaalsContact CA-OD2 3.23Å; H627-D649 WeakPolarHBondContact CA-OD2 3.45Å; H627-D649 IonicContact CE1-OD1 2.67Å; H627-D649 IonicContact CG-OD1 2.72Å; H627-D649 IonicContact CG-OD2 3.49Å; H627-D649 IonicContact ND1-OD1 2.91Å; H627-D649 PolarHBondContact ND1-OD1 2.96Å; H627-D649 IonicContact ND1-OD2 2.86Å; H627-D649 PolarHBondContact ND1-OD2 3.04Å; T628-D649 PolarHBondContact N-OD2 3.22Å; T628-D649 VanDerWaalsContact N-OD2 3.16Å; T628-D649 WeakPolarHBondContact OG1-CB 3.39Å; D629-D649 HydrophobicContact CB-CB 4.19Å; G647-D649 WeakPolarHBondContact CA-OD1 3.33Å; G647-D649 PolarHBondContact O-N 2.69Å; D649-T651 PolarHBondContact O-N 2.82Å; D649-T651 WeakPolarHBondContact OD1-CB 3.35Å; D649-T651 PolarHBondContact OD1-N 3.14Å; D649-T651 VanDerWaalsContact OD1-N 3.1Å; D649-T651 PolarHBondContact OD1-OG1 3.39Å; D649-T651 PolarHBondContact OD2-OG1 3.22Å; D649-R653 IonicContact OD2-CZ 2.86Å; D649-R653 IonicContact OD2-NE 2.72Å; D649-R653 IonicContact OD2-NH2 3.14Å; D649-R653 PolarHBondContact OD2-NH2 2.61Å
650	N	95.9	Very high	92.9	Very high	53 Å²	53	34 Å²	34	28%	0.283	17%	0.17	S	C	.	.	S	Bend	trans	59.7	16.8	-174	-53.8	-15.8	0	0	0	115	L648 F668 S670 Q671	L648-N650 PolarHBondContact O-N 3.45Å; N650-F668 WeakPolarHBondContact CB-O 3.28Å; N650-F668 WeakPolarHBondContact O-CB 3.28Å; N650-F668 PolarHBondContact O-N 2.95Å; N650-S670 PolarHBondContact OD1-O 3.46Å; N650-Q671 VanDerWaalsContact OD1-CA 3.32Å; N650-Q671 WeakPolarHBondContact OD1-CA 3.42Å; N650-Q671 WeakPolarHBondContact OD1-CG 3.39Å; N650-Q671 PolarHBondContact OD1-N 2.95Å
651	T	95.9	Very high	93	Very high	8 Å²	8	39.3 Å²	39.3	5%	0.049	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	147.3	178.7	74.7	0	0	0	0	113.1	H627 G647 D649 R653 Q665 H666 D667	H627-T651 PolarHBondContact CE1-O 2.67Å; H627-T651 PolarHBondContact CE1-OG1 3.08Å; H627-T651 PolarHBondContact ND1-OG1 3.02Å; H627-T651 VanDerWaalsContact ND1-OG1 3.08Å; G647-T651 PolarHBondContact N-O 2.83Å; D649-T651 PolarHBondContact O-N 2.82Å; D649-T651 WeakPolarHBondContact OD1-CB 3.35Å; D649-T651 PolarHBondContact OD1-N 3.14Å; D649-T651 VanDerWaalsContact OD1-N 3.1Å; D649-T651 PolarHBondContact OD1-OG1 3.39Å; D649-T651 PolarHBondContact OD2-OG1 3.22Å; T651-R653 PolarHBondContact OG1-NE 3.33Å; T651-Q665 HydrophobicContact CG2-CG 4.36Å; T651-H666 WeakPolarHBondContact CA-O 3.4Å; T651-D667 WeakPolarHBondContact CG2-OD1 3.29Å
652	V	96.3	Very high	93.1	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	131.1	158.2	177.8	0	0	0	0	108.6	W644 T645 Q665 H666 F668 I672 L675 L684 V686	W644-V652 HydrophobicContact CE3-CG1 3.99Å; W644-V652 HydrophobicContact CZ3-CG1 4.46Å; T645-V652 CarbonylContact O-C 3.56Å; T645-V652 WeakPolarHBondContact O-CA 3.42Å; V652-Q665 CarbonylContact O-C 3.58Å; V652-Q665 WeakPolarHBondContact O-CA 3.4Å; V652-H666 HydrophobicContact CB-CB 4.46Å; V652-H666 PolarHBondContact N-O 3.41Å; V652-H666 PolarHBondContact O-N 2.88Å; V652-F668 HydrophobicContact CB-CE2 3.82Å; V652-F668 HydrophobicContact CG2-CD2 4.2Å; V652-F668 HydrophobicContact CG2-CE2 3.49Å; V652-F668 VanDerWaalsContact CG2-CE2 3.49Å; V652-F668 HydrophobicContact CG2-CZ 4.09Å; V652-I672 HydrophobicContact CG2-CD1 4.19Å; V652-I672 HydrophobicContact CG2-CG1 3.79Å; V652-L675 HydrophobicContact CG1-CD2 4.39Å; V652-L684 HydrophobicContact CG1-CD2 3.9Å; V652-V686 HydrophobicContact CG2-CG1 3.95Å; V652-V686 HydrophobicContact CG2-CG2 4.12Å
653	R	95.3	Very high	93.1	Very high	17 Å²	17	39.4 Å²	39.4	6%	0.064	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	141.5	-176.1	-63.2	175.8	-169.3	-128.1	10.3	110.1	G626 H627 W644 T645 D649 T651 W655 Q662 Q664 Q665	G626-R653 PolarHBondContact O-NH1 2.75Å; G626-R653 PolarHBondContact O-NH2 3.27Å; H627-R653 PolarHBondContact ND1-NE 2.96Å; W644-R653 WeakPolarHBondContact CA-O 3.4Å; T645-R653 PolarHBondContact N-O 2.91Å; T645-R653 PolarHBondContact O-N 2.82Å; D649-R653 IonicContact OD2-CZ 2.86Å; D649-R653 IonicContact OD2-NE 2.72Å; D649-R653 IonicContact OD2-NH2 3.14Å; D649-R653 PolarHBondContact OD2-NH2 2.61Å; T651-R653 PolarHBondContact OG1-NE 3.33Å; R653-W655 HydrophobicContact CB-CZ2 4Å; R653-Q662 HydrophobicContact CB-CG 4.34Å; R653-Q664 WeakPolarHBondContact CA-O 3.36Å; R653-Q665 HydrophobicContact CG-CG 4.18Å
654	S	94.7	Very high	92.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	142.9	166.2	74.5	0	0	0	0	110.9	L643 Q662 L663 Q664	L643-S654 CarbonylContact O-C 3.54Å; L643-S654 VanDerWaalsContact O-CA 3.25Å; L643-S654 WeakPolarHBondContact O-CA 3.35Å; S654-Q662 CarbonylContact O-C 3.51Å; S654-Q662 WeakPolarHBondContact O-CA 3.3Å; S654-L663 PolarHBondContact O-N 3.47Å; S654-Q664 PolarHBondContact N-O 2.92Å; S654-Q664 VanDerWaalsContact OG-CB 3.31Å; S654-Q664 WeakPolarHBondContact OG-CB 3.44Å; S654-Q664 PolarHBondContact OG-N 3.02Å; S654-Q664 PolarHBondContact OG-OE1 2.92Å
655	W	94.6	Very high	92.7	Very high	6 Å²	6	45.6 Å²	45.6	2%	0.023	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	141.8	-177.3	-45.6	82.4	0	0	0	110.2	F624 Q625 K642 L643 T645 R653 R661 Q662	F624-W655 HydrophobicContact CB-CD2 4.06Å; F624-W655 HydrophobicContact CB-CE3 3.79Å; F624-W655 HydrophobicContact CB-CH2 4.21Å; F624-W655 HydrophobicContact CB-CZ2 4.43Å; F624-W655 HydrophobicContact CB-CZ3 3.88Å; F624-W655 HydrophobicContact CD1-CE3 4.3Å; F624-W655 HydrophobicContact CG-CD2 4.26Å; F624-W655 HydrophobicContact CG-CE3 4.11Å; Q625-W655 WeakPolarHBondContact O-CH2 3.44Å; K642-W655 VanDerWaalsContact CA-O 3.23Å; K642-W655 WeakPolarHBondContact CA-O 3.29Å; L643-W655 HydrophobicContact CB-CB 4.16Å; L643-W655 PolarHBondContact N-O 2.62Å; L643-W655 PolarHBondContact O-N 2.86Å; T645-W655 PolarHBondContact OG1-NE1 2.86Å; R653-W655 HydrophobicContact CB-CZ2 4Å; W655-R661 CarbonylContact C-O 3.58Å; W655-R661 WeakPolarHBondContact CA-O 3.26Å; W655-Q662 HydrophobicContact CE3-CB 3.85Å; W655-Q662 HydrophobicContact CE3-CG 4.31Å; W655-Q662 HydrophobicContact CH2-CB 4.41Å; W655-Q662 HydrophobicContact CH2-CG 4.43Å; W655-Q662 HydrophobicContact CZ3-CB 3.77Å; W655-Q662 HydrophobicContact CZ3-CG 4.22Å
656	D	92.9	Very high	92.5	Very high	29 Å²	29	48.3 Å²	48.3	16%	0.155	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	120.2	167.6	-167.3	-63.8	0	0	0	109.3	R658 E659 G660 R661 L663	D656-R658 VanDerWaalsContact C-N 3.31Å; D656-R658 PolarHBondContact O-N 3.11Å; D656-R658 WeakPolarHBondContact OD1-CA 3.35Å; D656-R658 VanDerWaalsContact OD1-CB 3.31Å; D656-R658 WeakPolarHBondContact OD1-CB 3.44Å; D656-R658 PolarHBondContact OD1-N 2.89Å; D656-E659 HydrophobicContact CB-CB 4.08Å; D656-E659 PolarHBondContact OD1-N 3.01Å; D656-G660 WeakPolarHBondContact O-CA 3.48Å; D656-G660 PolarHBondContact O-N 3.24Å; D656-R661 PolarHBondContact N-O 3.32Å; D656-L663 HydrophobicContact CB-CD1 3.87Å; D656-L663 HydrophobicContact CB-CD2 4.12Å; D656-L663 HydrophobicContact CB-CG 3.97Å
657	L	89.3	Confident	92.3	Very high	36 Å²	36	53.9 Å²	53.9	19%	0.188	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-25.8	-178.9	-72.9	177.3	0	0	0	113	F602 R622 F624 I636 T641 L643	F602-L657 HydrophobicContact CD1-CD2 4.32Å; F602-L657 HydrophobicContact CE1-CD2 3.36Å; F602-L657 HydrophobicContact CE2-CD2 4.42Å; F602-L657 HydrophobicContact CZ-CD1 4.07Å; F602-L657 HydrophobicContact CZ-CD2 3.42Å; F602-L657 VanDerWaalsContact CZ-CD2 3.42Å; F602-L657 HydrophobicContact CZ-CG 4.38Å; R622-L657 PolarHBondContact NH1-O 3.12Å; F624-L657 HydrophobicContact CE2-CD2 4.04Å; F624-L657 HydrophobicContact CZ-CD2 4.1Å; I636-L657 HydrophobicContact CG2-CD1 4.24Å; T641-L657 WeakPolarHBondContact O-CB 3.46Å; T641-L657 PolarHBondContact O-N 2.98Å; L643-L657 HydrophobicContact CB-CD2 3.8Å; L643-L657 HydrophobicContact CB-CG 4.19Å; L643-L657 HydrophobicContact CD1-CD2 4.46Å; L643-L657 HydrophobicContact CD2-CD2 4.14Å; L643-L657 HydrophobicContact CG-CD2 4.39Å
658	R	87.2	Confident	92.3	Very high	225 Å²	225	55.1 Å²	55.1	85%	0.849	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-63.3	-179.6	-178.8	-178.7	-177.9	169.9	0.3	110.4	R622 D656 G660	R622-R658 PolarHBondContact NH1-O 2.91Å; R622-R658 VanDerWaalsContact NH1-O 3.11Å; R622-R658 PolarHBondContact NH2-O 3.5Å; D656-R658 VanDerWaalsContact C-N 3.31Å; D656-R658 PolarHBondContact O-N 3.11Å; D656-R658 WeakPolarHBondContact OD1-CA 3.35Å; D656-R658 VanDerWaalsContact OD1-CB 3.31Å; D656-R658 WeakPolarHBondContact OD1-CB 3.44Å; D656-R658 PolarHBondContact OD1-N 2.89Å; R658-G660 VanDerWaalsContact C-N 3.29Å; R658-G660 PolarHBondContact O-N 3Å
659	E	85.8	Confident	92.1	Very high	115 Å²	115	59.3 Å²	59.3	54%	0.537	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-33.9	179.3	-60.7	-169.3	167.6	0	0	111.8	D656 R661	D656-E659 HydrophobicContact CB-CB 4.08Å; D656-E659 PolarHBondContact OD1-N 3.01Å; E659-R661 HydrophobicContact CB-CG 4.32Å; E659-R661 IonicContact OE2-CZ 2.69Å; E659-R661 IonicContact OE2-NE 2.69Å; E659-R661 PolarHBondContact OE2-NE 3.34Å; E659-R661 IonicContact OE2-NH2 2.74Å; E659-R661 PolarHBondContact OE2-NH2 3.07Å
660	G	85.9	Confident	92.1	Very high	21 Å²	21	59 Å²	59	22%	0.216	29%	0.285	C	S	.	.			trans	85.6	26.3	172.4	0	0	0	0	0	115.5	R622 D656 R658	R622-G660 VanDerWaalsContact NH1-CA 3.27Å; D656-G660 WeakPolarHBondContact O-CA 3.48Å; D656-G660 PolarHBondContact O-N 3.24Å; R658-G660 VanDerWaalsContact C-N 3.29Å; R658-G660 PolarHBondContact O-N 3Å
661	R	87.2	Confident	92.1	Very high	138 Å²	138	59 Å²	59	52%	0.521	28%	0.283	S	S	.	.	S	Bend	trans	-125.5	161.5	-176.9	64.4	174.3	174.1	106.8	2.9	112.3	W655 D656 E659	W655-R661 CarbonylContact C-O 3.58Å; W655-R661 WeakPolarHBondContact CA-O 3.26Å; D656-R661 PolarHBondContact N-O 3.32Å; E659-R661 HydrophobicContact CB-CG 4.32Å; E659-R661 IonicContact OE2-CZ 2.69Å; E659-R661 IonicContact OE2-NE 2.69Å; E659-R661 PolarHBondContact OE2-NE 3.34Å; E659-R661 IonicContact OE2-NH2 2.74Å; E659-R661 PolarHBondContact OE2-NH2 3.07Å
662	Q	92.6	Very high	92.2	Very high	55 Å²	55	58.6 Å²	58.6	26%	0.257	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	141.2	170.6	-158.3	178	-47.7	0	0	110.4	R653 S654 W655	R653-Q662 HydrophobicContact CB-CG 4.34Å; S654-Q662 CarbonylContact O-C 3.51Å; S654-Q662 WeakPolarHBondContact O-CA 3.3Å; W655-Q662 HydrophobicContact CE3-CB 3.85Å; W655-Q662 HydrophobicContact CE3-CG 4.31Å; W655-Q662 HydrophobicContact CH2-CB 4.41Å; W655-Q662 HydrophobicContact CH2-CG 4.43Å; W655-Q662 HydrophobicContact CZ3-CB 3.77Å; W655-Q662 HydrophobicContact CZ3-CG 4.22Å
663	L	90.9	Very high	92.2	Very high	61 Å²	61	61.1 Å²	61.1	32%	0.319	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-49	-179.9	-69.6	180	0	0	0	112.3	K642 S654 D656	K642-L663 HydrophobicContact CD-CD1 4.01Å; K642-L663 HydrophobicContact CG-CD1 4.13Å; S654-L663 PolarHBondContact O-N 3.47Å; D656-L663 HydrophobicContact CB-CD1 3.87Å; D656-L663 HydrophobicContact CB-CD2 4.12Å; D656-L663 HydrophobicContact CB-CG 3.97Å
664	Q	90.2	Very high	92.2	Very high	53 Å²	53	60.5 Å²	60.5	25%	0.248	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	154.8	179.3	-58.8	163.5	-95.3	0	0	109.8	R653 S654 H698	R653-Q664 WeakPolarHBondContact CA-O 3.36Å; S654-Q664 PolarHBondContact N-O 2.92Å; S654-Q664 VanDerWaalsContact OG-CB 3.31Å; S654-Q664 WeakPolarHBondContact OG-CB 3.44Å; S654-Q664 PolarHBondContact OG-N 3.02Å; S654-Q664 PolarHBondContact OG-OE1 2.92Å; Q664-H698 PolarHBondContact NE2-O 3.21Å
665	Q	93.1	Very high	92.3	Very high	82 Å²	82	61 Å²	61	38%	0.383	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	138.7	168.2	-165	167.5	-56.2	0	0	108.2	T651 V652 R653 D667	T651-Q665 HydrophobicContact CG2-CG 4.36Å; V652-Q665 CarbonylContact O-C 3.58Å; V652-Q665 WeakPolarHBondContact O-CA 3.4Å; R653-Q665 HydrophobicContact CG-CG 4.18Å; Q665-D667 WeakPolarHBondContact CG-OD1 3.3Å; Q665-D667 PolarHBondContact NE2-OD1 3.18Å
666	H	91.9	Very high	92.4	Very high	56 Å²	56	60.8 Å²	60.8	26%	0.259	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	117.8	172.2	-62.2	-97.6	0	0	0	106.9	T651 V652 F668 L696	T651-H666 WeakPolarHBondContact CA-O 3.4Å; V652-H666 HydrophobicContact CB-CB 4.46Å; V652-H666 PolarHBondContact N-O 3.41Å; V652-H666 PolarHBondContact O-N 2.88Å; H666-F668 HydrophobicContact CB-CE2 3.65Å; H666-F668 HydrophobicContact CB-CZ 4.1Å; H666-F668 VanDerWaalsContact O-CD2 3.28Å; H666-F668 WeakPolarHBondContact O-CD2 3.36Å; H666-F668 VanDerWaalsContact O-CE2 3.29Å; H666-F668 WeakPolarHBondContact O-CE2 3.43Å; H666-L696 HydrophobicContact CB-CD2 4.48Å
667	D	93.3	Very high	92.5	Very high	117 Å²	117	60.5 Å²	60.5	63%	0.626	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	132.5	-178.2	-54.1	-44.2	0	0	0	109.7	T651 Q665	T651-D667 WeakPolarHBondContact CG2-OD1 3.29Å; Q665-D667 WeakPolarHBondContact CG-OD1 3.3Å; Q665-D667 PolarHBondContact NE2-OD1 3.18Å
668	F	94	Very high	92.7	Very high	26 Å²	26	58.8 Å²	58.8	11%	0.114	28%	0.28	C	S	.	.			trans	-117.9	169.4	-176.8	-63.1	-99.4	0	0	0	111.4	N650 V652 H666 S670 I672 V686 M688 E694 L696	N650-F668 WeakPolarHBondContact CB-O 3.28Å; N650-F668 WeakPolarHBondContact O-CB 3.28Å; N650-F668 PolarHBondContact O-N 2.95Å; V652-F668 HydrophobicContact CB-CE2 3.82Å; V652-F668 HydrophobicContact CG2-CD2 4.2Å; V652-F668 HydrophobicContact CG2-CE2 3.49Å; V652-F668 VanDerWaalsContact CG2-CE2 3.49Å; V652-F668 HydrophobicContact CG2-CZ 4.09Å; H666-F668 HydrophobicContact CB-CE2 3.65Å; H666-F668 HydrophobicContact CB-CZ 4.1Å; H666-F668 VanDerWaalsContact O-CD2 3.28Å; H666-F668 WeakPolarHBondContact O-CD2 3.36Å; H666-F668 VanDerWaalsContact O-CE2 3.29Å; H666-F668 WeakPolarHBondContact O-CE2 3.43Å; F668-S670 VanDerWaalsContact C-N 3.31Å; F668-S670 PolarHBondContact O-N 3.43Å; F668-I672 HydrophobicContact CB-CD1 4.38Å; F668-I672 HydrophobicContact CD2-CD1 3.97Å; F668-I672 HydrophobicContact CG-CD1 4.37Å; F668-V686 HydrophobicContact CZ-CG1 4.47Å; F668-M688 HydrophobicContact CB-SD 3.95Å; F668-M688 HydrophobicContact CD1-CE 4.34Å; F668-M688 HydrophobicContact CD1-SD 3.42Å; F668-M688 WeakPolarHBondContact CD1-SD 3.36Å; F668-M688 HydrophobicContact CE1-SD 4.19Å; F668-M688 HydrophobicContact CG-SD 3.94Å; F668-E694 WeakPolarHBondContact CE1-OE2 3.32Å; F668-L696 HydrophobicContact CE1-CD1 4.35Å; F668-L696 HydrophobicContact CZ-CD1 4.07Å; F668-L696 HydrophobicContact CZ-CD2 3.97Å
669	T	92.1	Very high	92.9	Very high	122 Å²	122	49.8 Å²	49.8	75%	0.748	25%	0.251	S	S	*	.	S	Bend	trans	-83.2	-4.4	-179.5	59.5	0	0	0	0	114
670	S	94.9	Very high	93	Very high	19 Å²	19	48.7 Å²	48.7	13%	0.133	25%	0.252	C	S	.	.	S	Bend	trans	-159.3	163.9	-166.5	-47.5	0	0	0	0	110.6	N650 F668 S690	N650-S670 PolarHBondContact OD1-O 3.46Å; F668-S670 VanDerWaalsContact C-N 3.31Å; F668-S670 PolarHBondContact O-N 3.43Å; S670-S690 WeakPolarHBondContact OG-CB 3.35Å; S670-S690 PolarHBondContact OG-OG 2.93Å
671	Q	95.9	Very high	92.7	Very high	51 Å²	51	48.2 Å²	48.2	24%	0.238	25%	0.247	C	C	.	.			trans	-66.8	146.3	-175.7	-59.4	-165.7	-38.9	0	0	111.8	L648 N650 F673 M688 E689	L648-Q671 HydrophobicContact CD2-CB 4.3Å; L648-Q671 PolarHBondContact O-NE2 2.9Å; N650-Q671 VanDerWaalsContact OD1-CA 3.32Å; N650-Q671 WeakPolarHBondContact OD1-CA 3.42Å; N650-Q671 WeakPolarHBondContact OD1-CG 3.39Å; N650-Q671 PolarHBondContact OD1-N 2.95Å; Q671-F673 HydrophobicContact CB-CE1 4.02Å; Q671-F673 HydrophobicContact CB-CZ 4.27Å; Q671-M688 CarbonylContact O-C 3.59Å; Q671-M688 WeakPolarHBondContact O-CA 3.49Å; Q671-E689 HydrophobicContact CB-CB 4.18Å; Q671-E689 PolarHBondContact O-N 2.73Å
672	I	97.3	Very high	92.7	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	131.3	170.7	-61.6	82.2	0	0	0	107.7	S632 G647 V652 F668 S674 V686	S632-I672 VanDerWaalsContact CB-O 3.31Å; S632-I672 WeakPolarHBondContact CB-O 3.38Å; S632-I672 PolarHBondContact OG-O 3.4Å; G647-I672 PolarHBondContact O-N 3.48Å; V652-I672 HydrophobicContact CG2-CD1 4.19Å; V652-I672 HydrophobicContact CG2-CG1 3.79Å; F668-I672 HydrophobicContact CB-CD1 4.38Å; F668-I672 HydrophobicContact CD2-CD1 3.97Å; F668-I672 HydrophobicContact CG-CD1 4.37Å; I672-S674 WeakPolarHBondContact CG2-O 3.43Å; I672-V686 HydrophobicContact CB-CG1 4.4Å; I672-V686 HydrophobicContact CG1-CG1 3.76Å; I672-V686 HydrophobicContact CG2-CG1 3.7Å
673	F	96.5	Very high	92.7	Very high	54 Å²	54	45.5 Å²	45.5	24%	0.237	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-25.4	173.5	-63.6	-39.5	0	0	0	113	L648 Q671 G687 E689 C712 L714	L648-F673 HydrophobicContact CD2-CD1 3.9Å; L648-F673 HydrophobicContact CD2-CE1 3.66Å; Q671-F673 HydrophobicContact CB-CE1 4.02Å; Q671-F673 HydrophobicContact CB-CZ 4.27Å; F673-G687 PolarHBondContact N-O 3.46Å; F673-G687 VanDerWaalsContact N-O 3.08Å; F673-E689 HydrophobicContact CD2-CB 4.28Å; F673-E689 HydrophobicContact CE2-CB 3.58Å; F673-E689 HydrophobicContact CE2-CG 3.82Å; F673-E689 HydrophobicContact CZ-CB 3.93Å; F673-E689 HydrophobicContact CZ-CG 4.02Å; F673-C712 HydrophobicContact CD2-CB 3.95Å; F673-C712 HydrophobicContact CE2-CB 3.77Å; F673-L714 HydrophobicContact CD2-CD2 4.5Å
674	S	96.4	Very high	92.9	Very high	5 Å²	5	42.8 Å²	42.8	4%	0.035	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	150.6	179.2	54.6	0	0	0	0	112	C633 I672 G687 V713	C633-S674 VanDerWaalsContact SG-C 3.51Å; I672-S674 WeakPolarHBondContact CG2-O 3.43Å; S674-G687 PolarHBondContact N-O 3.29Å; S674-G687 PolarHBondContact O-N 3.27Å; S674-V713 PolarHBondContact OG-O 3.09Å; S674-V713 VanDerWaalsContact OG-O 3.09Å
675	L	96.6	Very high	93.2	Very high	10 Å²	10	40.2 Å²	40.2	5%	0.052	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	163.2	167.7	68.2	78	0	0	0	109.8	C633 D635 W644 G646 V652 L684 A685 V686	C633-L675 HydrophobicContact CB-CG 4.23Å; D635-L675 HydrophobicContact CB-CD1 3.57Å; W644-L675 HydrophobicContact CB-CD1 4.3Å; G646-L675 VanDerWaalsContact N-CD2 3.31Å; V652-L675 HydrophobicContact CG1-CD2 4.39Å; L675-L684 HydrophobicContact CD1-CD1 4.33Å; L675-A685 CarbonylContact C-O 3.58Å; L675-A685 WeakPolarHBondContact CA-O 3.26Å; L675-V686 HydrophobicContact CB-CG2 4.44Å
676	G	95.8	Very high	93.4	Very high	2 Å²	2	36.3 Å²	36.3	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	143.3	168.6	0	0	0	0	0	110.5	D635 L684 A685 F718	D635-G676 WeakPolarHBondContact OD2-CA 3.34Å; G676-L684 WeakPolarHBondContact O-CD1 3.26Å; G676-A685 PolarHBondContact N-O 3.46Å; G676-A685 PolarHBondContact O-N 2.93Å; G676-F718 VanDerWaalsContact O-CE2 3.27Å; G676-F718 WeakPolarHBondContact O-CE2 3.43Å
677	Y	95.3	Very high	93.6	Very high	22 Å²	22	33.7 Å²	33.7	9%	0.086	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	138.3	173.1	-167.5	-92.5	0	0	0	109.5	D635 H638 W644 P679 L684	D635-Y677 PolarHBondContact OD2-N 2.69Å; H638-Y677 HydrophobicContact CB-CE1 4.21Å; W644-Y677 AromaticContact CD1-CD2 3.59Å; W644-Y677 HydrophobicContact CG-CD2 4.4Å; W644-Y677 AromaticContact NE1-CD2 3.43Å; W644-Y677 AromaticContact NE1-CE2 3.46Å; Y677-P679 VanDerWaalsContact O-CD 3.3Å; Y677-P679 WeakPolarHBondContact O-CD 3.47Å; Y677-L684 HydrophobicContact CD2-CD1 4.01Å
678	C	94.3	Very high	93.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.153	C	C	.	.			trans	-69.7	126	-179	-172.2	0	0	0	0	110.8	T680 G681 W683 F718 G722	C678-T680 PolarHBondContact O-N 3.1Å; C678-T680 PolarHBondContact SG-OG1 3.19Å; C678-G681 WeakPolarHBondContact CB-O 3.21Å; C678-G681 PolarHBondContact O-N 2.98Å; C678-W683 HydrophobicContact CB-CB 4.14Å; C678-W683 WeakPolarHBondContact CB-O 3.37Å; C678-W683 PolarHBondContact N-O 3.21Å; C678-F718 HydrophobicContact CB-CD1 4.06Å; C678-F718 HydrophobicContact CB-CE1 3.74Å; C678-F718 HydrophobicContact CB-CZ 4.02Å; C678-G722 PolarHBondContact SG-O 2.9Å
679	P	90.9	Very high	93.8	Very high	37 Å²	37	31 Å²	31	24%	0.24	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-12.4	-179.4	-30	39	0	0	0	115.9	H638 Y677 F718 A719	H638-P679 PolarHBondContact CE1-O 3.4Å; H638-P679 PolarHBondContact ND1-O 3.2Å; Y677-P679 VanDerWaalsContact O-CD 3.3Å; Y677-P679 WeakPolarHBondContact O-CD 3.47Å; P679-F718 VanDerWaalsContact CD-CB 3.46Å; P679-F718 HydrophobicContact CG-CB 4.07Å; P679-A719 WeakPolarHBondContact CG-O 3.37Å
680	T	88.9	Confident	93.8	Very high	92 Å²	92	27 Å²	27	56%	0.564	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	0.6	171.2	53.1	0	0	0	0	113.5	C678	C678-T680 PolarHBondContact O-N 3.1Å; C678-T680 PolarHBondContact SG-OG1 3.19Å
681	G	79.3	Confident	93.7	Very high	10 Å²	10	27.3 Å²	27.3	10%	0.103	15%	0.146	C	C	.	.	S	Bend	trans	86.1	-163.7	-171.9	0	0	0	0	0	113.7	C678 W683	C678-G681 WeakPolarHBondContact CB-O 3.21Å; C678-G681 PolarHBondContact O-N 2.98Å; G681-W683 PolarHBondContact O-N 3.47Å
682	E	86.8	Confident	93.7	Very high	112 Å²	112	26 Å²	26	52%	0.523	14%	0.141	S	C	.	.	S	Bend	trans	64.9	-49.7	179.9	-57.1	-178	167.2	0	0	116.8	H698	E682-H698 PolarHBondContact O-N 3.01Å
683	W	93	Very high	93.6	Very high	25 Å²	25	26 Å²	26	10%	0.095	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	146.3	-163.8	-54.8	92.7	0	0	0	114	C678 G681 V695 L696 H697 Y704 P740	C678-W683 HydrophobicContact CB-CB 4.14Å; C678-W683 WeakPolarHBondContact CB-O 3.37Å; C678-W683 PolarHBondContact N-O 3.21Å; G681-W683 PolarHBondContact O-N 3.47Å; W683-V695 HydrophobicContact CB-CG1 4.17Å; W683-V695 HydrophobicContact CE3-CG1 4.08Å; W683-L696 WeakPolarHBondContact CA-O 3.08Å; W683-H697 AromaticContact CE2-CD2 3.87Å; W683-H697 HydrophobicContact CE3-CB 3.96Å; W683-H697 HydrophobicContact CH2-CB 4.16Å; W683-H697 AromaticContact CH2-CD2 3.72Å; W683-H697 AromaticContact CZ2-CD2 3.63Å; W683-H697 HydrophobicContact CZ3-CB 3.69Å; W683-Y704 HydrophobicContact CH2-CD2 4.48Å; W683-Y704 AromaticContact CH2-CE2 3.75Å; W683-Y704 HydrophobicContact CH2-CE2 3.75Å; W683-Y704 HydrophobicContact CZ3-CD2 4.05Å; W683-Y704 AromaticContact CZ3-CE2 3.77Å; W683-Y704 HydrophobicContact CZ3-CE2 3.77Å; W683-P740 HydrophobicContact CD2-CB 3.4Å; W683-P740 VanDerWaalsContact CD2-CB 3.4Å; W683-P740 HydrophobicContact CD2-CG 4.22Å; W683-P740 VanDerWaalsContact CE2-CB 3.41Å; W683-P740 HydrophobicContact CE3-CB 3.75Å; W683-P740 HydrophobicContact CG-CB 3.85Å; W683-P740 HydrophobicContact CH2-CB 4.06Å; W683-P740 HydrophobicContact CH2-CG 4.1Å; W683-P740 HydrophobicContact CZ2-CB 3.75Å; W683-P740 HydrophobicContact CZ2-CG 3.63Å; W683-P740 HydrophobicContact CZ3-CB 4.06Å
684	L	95.2	Very high	93.5	Very high	3 Å²	3	24 Å²	24	2%	0.016	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126.5	172	-179.6	83.4	0	0	0	108.2	W644 V652 L675 G676 Y677 V686 V695 L696	W644-L684 HydrophobicContact CB-CD1 4Å; W644-L684 HydrophobicContact CD2-CD1 4.04Å; W644-L684 HydrophobicContact CD2-CD2 4.07Å; W644-L684 HydrophobicContact CE3-CD1 4.36Å; W644-L684 HydrophobicContact CE3-CD2 3.56Å; W644-L684 HydrophobicContact CG-CD1 3.88Å; W644-L684 HydrophobicContact CZ3-CD2 3.88Å; V652-L684 HydrophobicContact CG1-CD2 3.9Å; L675-L684 HydrophobicContact CD1-CD1 4.33Å; G676-L684 WeakPolarHBondContact O-CD1 3.26Å; Y677-L684 HydrophobicContact CD2-CD1 4.01Å; L684-V686 HydrophobicContact CD2-CG2 3.94Å; L684-V686 HydrophobicContact CG-CG2 4.2Å; L684-V695 CarbonylContact O-C 3.56Å; L684-V695 WeakPolarHBondContact O-CA 3.44Å; L684-L696 PolarHBondContact N-O 2.89Å; L684-L696 PolarHBondContact O-N 3.39Å
685	A	96.1	Very high	93.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	140.3	172.3	0	0	0	0	0	110.8	L675 G676 V693 E694 V695 L716 F718 F725	L675-A685 CarbonylContact C-O 3.58Å; L675-A685 WeakPolarHBondContact CA-O 3.26Å; G676-A685 PolarHBondContact N-O 3.46Å; G676-A685 PolarHBondContact O-N 2.93Å; A685-V693 HydrophobicContact CB-CG1 4.5Å; A685-E694 CarbonylContact C-O 3.52Å; A685-E694 WeakPolarHBondContact CA-O 3.44Å; A685-V695 HydrophobicContact CB-CG2 4.1Å; A685-L716 HydrophobicContact CB-CD1 3.69Å; A685-L716 HydrophobicContact CB-CD2 3.88Å; A685-L716 HydrophobicContact CB-CG 4.45Å; A685-F718 HydrophobicContact CB-CE2 3.64Å; A685-F718 HydrophobicContact CB-CZ 3.78Å; A685-F725 HydrophobicContact CB-CE2 4.26Å; A685-F725 HydrophobicContact CB-CZ 4.31Å
686	V	96.8	Very high	93.3	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	120.3	-171.6	-178.4	0	0	0	0	108.8	V652 F668 I672 L675 L684 M688 V693 E694 L696	V652-V686 HydrophobicContact CG2-CG1 3.95Å; V652-V686 HydrophobicContact CG2-CG2 4.12Å; F668-V686 HydrophobicContact CZ-CG1 4.47Å; I672-V686 HydrophobicContact CB-CG1 4.4Å; I672-V686 HydrophobicContact CG1-CG1 3.76Å; I672-V686 HydrophobicContact CG2-CG1 3.7Å; L675-V686 HydrophobicContact CB-CG2 4.44Å; L684-V686 HydrophobicContact CD2-CG2 3.94Å; L684-V686 HydrophobicContact CG-CG2 4.2Å; V686-M688 HydrophobicContact CG1-CG 4.25Å; V686-V693 CarbonylContact O-C 3.6Å; V686-V693 WeakPolarHBondContact O-CA 3.5Å; V686-E694 PolarHBondContact N-O 3.26Å; V686-E694 PolarHBondContact O-N 3.47Å; V686-L696 HydrophobicContact CB-CD1 4.3Å; V686-L696 HydrophobicContact CG2-CD1 3.69Å
687	G	96.5	Very high	93	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	120.6	175.7	0	0	0	0	0	111.4	F673 S674	F673-G687 PolarHBondContact N-O 3.46Å; F673-G687 VanDerWaalsContact N-O 3.08Å; S674-G687 PolarHBondContact N-O 3.29Å; S674-G687 PolarHBondContact O-N 3.27Å
688	M	95.6	Very high	92.3	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	162	-173.4	-61.7	-168.2	-68.3	0	0	113.3	F668 Q671 V686 S690 N692 E694 V713	F668-M688 HydrophobicContact CB-SD 3.95Å; F668-M688 HydrophobicContact CD1-CE 4.34Å; F668-M688 HydrophobicContact CD1-SD 3.42Å; F668-M688 WeakPolarHBondContact CD1-SD 3.36Å; F668-M688 HydrophobicContact CE1-SD 4.19Å; F668-M688 HydrophobicContact CG-SD 3.94Å; Q671-M688 CarbonylContact O-C 3.59Å; Q671-M688 WeakPolarHBondContact O-CA 3.49Å; V686-M688 HydrophobicContact CG1-CG 4.25Å; M688-S690 PolarHBondContact O-N 3.07Å; M688-N692 HydrophobicContact CE-CB 3.67Å; M688-N692 PolarHBondContact N-O 2.9Å; M688-N692 VanDerWaalsContact N-O 3.12Å; M688-E694 HydrophobicContact CE-CG 3.86Å; M688-V713 PolarHBondContact O-N 2.94Å
689	E	95.1	Very high	91.5	Very high	85 Å²	85	30.5 Å²	30.5	40%	0.397	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-37.7	169.5	-178.8	-175.9	-158.2	0	0	112.4	Q671 F673 S691 C712	Q671-E689 HydrophobicContact CB-CB 4.18Å; Q671-E689 PolarHBondContact O-N 2.73Å; F673-E689 HydrophobicContact CD2-CB 4.28Å; F673-E689 HydrophobicContact CE2-CB 3.58Å; F673-E689 HydrophobicContact CE2-CG 3.82Å; F673-E689 HydrophobicContact CZ-CB 3.93Å; F673-E689 HydrophobicContact CZ-CG 4.02Å; E689-S691 PolarHBondContact O-N 3.35Å; E689-C712 WeakPolarHBondContact O-CA 3.48Å; E689-C712 PolarHBondContact O-SG 3.32Å
690	S	91.8	Very high	91.2	Very high	40 Å²	40	33.8 Å²	33.8	28%	0.28	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	24.5	-176.9	54.9	0	0	0	0	115.1	S670 M688 N692	S670-S690 WeakPolarHBondContact OG-CB 3.35Å; S670-S690 PolarHBondContact OG-OG 2.93Å; M688-S690 PolarHBondContact O-N 3.07Å; S690-N692 PolarHBondContact O-N 3.49Å; S690-N692 PolarHBondContact O-OD1 2.98Å
691	S	94.2	Very high	90.8	Very high	25 Å²	25	33.7 Å²	33.7	18%	0.175	18%	0.18	C	C	.	.	S	Bend	trans	57.5	-9.8	-173.9	83.1	0	0	0	0	117.5	E689 H709 S711 V713	E689-S691 PolarHBondContact O-N 3.35Å; S691-H709 VanDerWaalsContact CB-O 3.26Å; S691-H709 WeakPolarHBondContact CB-O 3.49Å; S691-H709 WeakPolarHBondContact O-CB 3.4Å; S691-H709 PolarHBondContact OG-O 3.06Å; S691-S711 WeakPolarHBondContact CA-O 3.35Å; S691-S711 WeakPolarHBondContact CB-O 3.25Å; S691-V713 WeakPolarHBondContact O-CG2 3.38Å
692	N	94.6	Very high	91.2	Very high	23 Å²	23	35.4 Å²	35.4	12%	0.123	19%	0.187	C	C	.	.			trans	-70.3	143.5	175.9	-57	-29.8	0	0	0	111.7	M688 S690 Q705 H707	M688-N692 HydrophobicContact CE-CB 3.67Å; M688-N692 PolarHBondContact N-O 2.9Å; M688-N692 VanDerWaalsContact N-O 3.12Å; S690-N692 PolarHBondContact O-N 3.49Å; S690-N692 PolarHBondContact O-OD1 2.98Å; N692-Q705 HydrophobicContact CB-CG 4.45Å; N692-Q705 PolarHBondContact ND2-NE2 2.92Å; N692-H707 PolarHBondContact OD1-CD2 3.03Å; N692-H707 PolarHBondContact OD1-NE2 3.43Å
693	V	96.1	Very high	91.4	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129.3	155.1	-178.2	0	0	0	0	107.9	A685 V686 L706 V713 L716 F725	A685-V693 HydrophobicContact CB-CG1 4.5Å; V686-V693 CarbonylContact O-C 3.6Å; V686-V693 WeakPolarHBondContact O-CA 3.5Å; V693-L706 HydrophobicContact CB-CB 4.22Å; V693-L706 HydrophobicContact CB-CD1 4.29Å; V693-L706 HydrophobicContact CG1-CD1 4.28Å; V693-L706 PolarHBondContact N-O 2.95Å; V693-L706 VanDerWaalsContact N-O 3.14Å; V693-L706 PolarHBondContact O-N 3.34Å; V693-V713 HydrophobicContact CG2-CG1 4.06Å; V693-V713 HydrophobicContact CG2-CG2 3.94Å; V693-L716 HydrophobicContact CG1-CD1 3.9Å; V693-F725 HydrophobicContact CG1-CE2 4.14Å; V693-F725 HydrophobicContact CG1-CZ 4.43Å
694	E	94.9	Very high	91.5	Very high	11 Å²	11	33 Å²	33	5%	0.051	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	137.7	169.1	-73.2	-165.5	-175.2	0	0	111.1	F668 A685 V686 M688 L696 K703 Y704 Q705	F668-E694 WeakPolarHBondContact CE1-OE2 3.32Å; A685-E694 CarbonylContact C-O 3.52Å; A685-E694 WeakPolarHBondContact CA-O 3.44Å; V686-E694 PolarHBondContact N-O 3.26Å; V686-E694 PolarHBondContact O-N 3.47Å; M688-E694 HydrophobicContact CE-CG 3.86Å; E694-L696 HydrophobicContact CB-CD1 4.05Å; E694-K703 IonicContact OE1-NZ 2.97Å; E694-K703 PolarHBondContact OE1-NZ 2.9Å; E694-K703 WeakPolarHBondContact OE2-CD 3.43Å; E694-K703 WeakPolarHBondContact OE2-CE 3.41Å; E694-K703 IonicContact OE2-NZ 3.79Å; E694-K703 PolarHBondContact OE2-NZ 2.92Å; E694-Y704 CarbonylContact C-O 3.59Å; E694-Y704 VanDerWaalsContact CA-O 3.26Å; E694-Y704 WeakPolarHBondContact CA-O 3.3Å; E694-Q705 HydrophobicContact CG-CB 4.36Å; E694-Q705 HydrophobicContact CG-CG 4.06Å
695	V	95.4	Very high	91.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	105.2	176.1	-170.4	0	0	0	0	108.4	W683 L684 A685 K703 Y704 L706 F725 P740	W683-V695 HydrophobicContact CB-CG1 4.17Å; W683-V695 HydrophobicContact CE3-CG1 4.08Å; L684-V695 CarbonylContact O-C 3.56Å; L684-V695 WeakPolarHBondContact O-CA 3.44Å; A685-V695 HydrophobicContact CB-CG2 4.1Å; V695-K703 CarbonylContact O-C 3.59Å; V695-K703 VanDerWaalsContact O-CA 3.28Å; V695-K703 WeakPolarHBondContact O-CA 3.48Å; V695-Y704 PolarHBondContact N-O 3.38Å; V695-Y704 PolarHBondContact O-N 3.05Å; V695-L706 HydrophobicContact CG2-CD1 3.93Å; V695-F725 HydrophobicContact CG2-CE1 4.2Å; V695-F725 HydrophobicContact CG2-CZ 3.85Å; V695-P740 HydrophobicContact CG1-CB 4.42Å
696	L	93.1	Very high	91.3	Very high	15 Å²	15	34.1 Å²	34.1	8%	0.079	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	140.6	-175.4	-60.4	90	0	0	0	110.6	H666 F668 W683 L684 V686 E694 K703	H666-L696 HydrophobicContact CB-CD2 4.48Å; F668-L696 HydrophobicContact CE1-CD1 4.35Å; F668-L696 HydrophobicContact CZ-CD1 4.07Å; F668-L696 HydrophobicContact CZ-CD2 3.97Å; W683-L696 WeakPolarHBondContact CA-O 3.08Å; L684-L696 PolarHBondContact N-O 2.89Å; L684-L696 PolarHBondContact O-N 3.39Å; V686-L696 HydrophobicContact CB-CD1 4.3Å; V686-L696 HydrophobicContact CG2-CD1 3.69Å; E694-L696 HydrophobicContact CB-CD1 4.05Å; L696-K703 HydrophobicContact CG-CB 4.29Å
697	H	89.6	Confident	91.1	Very high	12 Å²	12	37.4 Å²	37.4	6%	0.056	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	133.9	167.4	-168.2	-84.6	0	0	0	109.9	W683 T699 K700 D702	W683-H697 AromaticContact CE2-CD2 3.87Å; W683-H697 HydrophobicContact CE3-CB 3.96Å; W683-H697 HydrophobicContact CH2-CB 4.16Å; W683-H697 AromaticContact CH2-CD2 3.72Å; W683-H697 AromaticContact CZ2-CD2 3.63Å; W683-H697 HydrophobicContact CZ3-CB 3.69Å; H697-T699 PolarHBondContact CE1-OG1 2.91Å; H697-T699 VanDerWaalsContact CE1-OG1 3.26Å; H697-T699 PolarHBondContact ND1-N 3.33Å; H697-T699 PolarHBondContact ND1-OG1 3.05Å; H697-T699 PolarHBondContact O-N 2.98Å; H697-K700 HydrophobicContact CB-CB 3.91Å; H697-K700 WeakPolarHBondContact ND1-CB 3.27Å; H697-K700 WeakPolarHBondContact ND1-CG 3.39Å; H697-K700 PolarHBondContact ND1-N 3.07Å; H697-K700 PolarHBondContact NE2-NZ 2.82Å; H697-D702 PolarHBondContact N-O 2.7Å
698	H	79.6	Confident	90.9	Very high	50 Å²	50	39.5 Å²	39.5	23%	0.231	21%	0.206	C	C	.	.	S	Bend	trans	-65	-18	-169.8	102.9	81.3	0	0	0	114.7	W644 Q664 E682	W644-H698 HydrophobicContact CZ2-CB 4.23Å; Q664-H698 PolarHBondContact NE2-O 3.21Å; E682-H698 PolarHBondContact O-N 3.01Å
699	T	78.8	Confident	90.8	Very high	98 Å²	98	40 Å²	40	60%	0.601	21%	0.208	S	C	*	.	S	Bend	trans	-130.3	-8	-174.6	22.6	0	0	0	0	115.4	H697	H697-T699 PolarHBondContact CE1-OG1 2.91Å; H697-T699 VanDerWaalsContact CE1-OG1 3.26Å; H697-T699 PolarHBondContact ND1-N 3.33Å; H697-T699 PolarHBondContact ND1-OG1 3.05Å; H697-T699 PolarHBondContact O-N 2.98Å
700	K	83.4	Confident	90.7	Very high	107 Å²	107	43.6 Å²	43.6	47%	0.465	23%	0.225	S	C	.	.	S	Bend	trans	-115.9	153.4	-177.6	-66.9	171.2	-168.3	147.1	0	109	H697 D702	H697-K700 HydrophobicContact CB-CB 3.91Å; H697-K700 WeakPolarHBondContact ND1-CB 3.27Å; H697-K700 WeakPolarHBondContact ND1-CG 3.39Å; H697-K700 PolarHBondContact ND1-N 3.07Å; H697-K700 PolarHBondContact NE2-NZ 2.82Å; K700-D702 HydrophobicContact CB-CB 4.34Å; K700-D702 WeakPolarHBondContact CD-OD2 3.37Å; K700-D702 PolarHBondContact O-N 3.34Å
701	P	81.4	Confident	90.8	Very high	89 Å²	89	43.5 Å²	43.5	58%	0.578	23%	0.225	S	C	*	.	S	Bend	trans	-68.6	-16.7	171.6	30.8	-37.6	0	0	0	113.1	A464 K703	A464-P701 HydrophobicContact CB-CB 3.75Å; A464-P701 HydrophobicContact CB-CG 3.48Å; A464-P701 VanDerWaalsContact CB-CG 3.48Å; P701-K703 PolarHBondContact O-N 3.19Å
702	D	86.3	Confident	90.9	Very high	46 Å²	46	43.1 Å²	43.1	25%	0.246	22%	0.222	C	C	.	.			trans	-62.3	127.3	-179.6	-51.1	-43.7	0	0	0	111.6	H461 H697 K700	H461-D702 IonicContact CE1-OD1 3.34Å; H697-D702 PolarHBondContact N-O 2.7Å; K700-D702 HydrophobicContact CB-CB 4.34Å; K700-D702 WeakPolarHBondContact CD-OD2 3.37Å; K700-D702 PolarHBondContact O-N 3.34Å
703	K	92.2	Very high	91	Very high	54 Å²	54	42 Å²	42	24%	0.235	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	153.2	174.6	68.4	178.5	-164.8	164.8	0	111.6	V462 E694 V695 L696 P701	V462-K703 HydrophobicContact CB-CG 3.79Å; V462-K703 HydrophobicContact CG2-CG 4.13Å; V462-K703 PolarHBondContact N-O 2.88Å; V462-K703 PolarHBondContact O-N 2.88Å; E694-K703 IonicContact OE1-NZ 2.97Å; E694-K703 PolarHBondContact OE1-NZ 2.9Å; E694-K703 WeakPolarHBondContact OE2-CD 3.43Å; E694-K703 WeakPolarHBondContact OE2-CE 3.41Å; E694-K703 IonicContact OE2-NZ 3.79Å; E694-K703 PolarHBondContact OE2-NZ 2.92Å; V695-K703 CarbonylContact O-C 3.59Å; V695-K703 VanDerWaalsContact O-CA 3.28Å; V695-K703 WeakPolarHBondContact O-CA 3.48Å; L696-K703 HydrophobicContact CG-CB 4.29Å; P701-K703 PolarHBondContact O-N 3.19Å
704	Y	93.8	Very high	91	Very high	33 Å²	33	43.8 Å²	43.8	13%	0.129	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	143.2	169.3	-60.7	-81.4	0	0	0	110.3	F460 H461 V471 W683 E694 V695 P740	F460-Y704 CarbonylContact O-C 3.54Å; F460-Y704 VanDerWaalsContact O-CA 3.3Å; F460-Y704 WeakPolarHBondContact O-CA 3.3Å; H461-Y704 HydrophobicContact CB-CD1 4.13Å; H461-Y704 HydrophobicContact CB-CE1 3.98Å; H461-Y704 AromaticContact CD2-CE1 3.54Å; H461-Y704 AromaticContact CD2-CZ 3.82Å; V471-Y704 HydrophobicContact CG1-CE1 4.29Å; V471-Y704 HydrophobicContact CG2-CD1 3.67Å; V471-Y704 HydrophobicContact CG2-CE1 3.76Å; W683-Y704 HydrophobicContact CH2-CD2 4.48Å; W683-Y704 AromaticContact CH2-CE2 3.75Å; W683-Y704 HydrophobicContact CH2-CE2 3.75Å; W683-Y704 HydrophobicContact CZ3-CD2 4.05Å; W683-Y704 AromaticContact CZ3-CE2 3.77Å; W683-Y704 HydrophobicContact CZ3-CE2 3.77Å; E694-Y704 CarbonylContact C-O 3.59Å; E694-Y704 VanDerWaalsContact CA-O 3.26Å; E694-Y704 WeakPolarHBondContact CA-O 3.3Å; V695-Y704 PolarHBondContact N-O 3.38Å; V695-Y704 PolarHBondContact O-N 3.05Å; Y704-P740 HydrophobicContact CD2-CB 4.23Å; Y704-P740 HydrophobicContact CE2-CB 3.94Å; Y704-P740 HydrophobicContact CE2-CG 3.89Å
705	Q	93	Very high	91.1	Very high	26 Å²	26	44.3 Å²	44.3	12%	0.121	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.6	173.7	-168.5	-178.6	0.2	0	0	109.3	F460 V462 M468 N692 E694 H707	F460-Q705 PolarHBondContact N-O 3.15Å; F460-Q705 PolarHBondContact O-N 2.92Å; V462-Q705 HydrophobicContact CG2-CB 4.09Å; M468-Q705 PolarHBondContact SD-OE1 3.33Å; N692-Q705 HydrophobicContact CB-CG 4.45Å; N692-Q705 PolarHBondContact ND2-NE2 2.92Å; E694-Q705 HydrophobicContact CG-CB 4.36Å; E694-Q705 HydrophobicContact CG-CG 4.06Å; Q705-H707 PolarHBondContact NE2-NE2 2.92Å
706	L	94.3	Very high	91.1	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.4	-167.9	-47.5	176.4	0	0	0	111.3	Y458 S459 V693 V695 F725 W737	Y458-L706 CarbonylContact O-C 3.57Å; Y458-L706 WeakPolarHBondContact O-CA 3.42Å; S459-L706 VanDerWaalsContact OG-CD2 3.29Å; S459-L706 WeakPolarHBondContact OG-CD2 3.38Å; V693-L706 HydrophobicContact CB-CB 4.22Å; V693-L706 HydrophobicContact CB-CD1 4.29Å; V693-L706 HydrophobicContact CG1-CD1 4.28Å; V693-L706 PolarHBondContact N-O 2.95Å; V693-L706 VanDerWaalsContact N-O 3.14Å; V693-L706 PolarHBondContact O-N 3.34Å; V695-L706 HydrophobicContact CG2-CD1 3.93Å; L706-F725 HydrophobicContact CD1-CZ 3.97Å; L706-W737 HydrophobicContact CB-CH2 3.68Å; L706-W737 HydrophobicContact CB-CZ2 4.33Å; L706-W737 HydrophobicContact CB-CZ3 3.81Å; L706-W737 HydrophobicContact CD1-CD2 4.1Å; L706-W737 HydrophobicContact CD1-CE3 3.88Å; L706-W737 HydrophobicContact CD1-CH2 4.39Å; L706-W737 HydrophobicContact CD1-CZ3 4.02Å; L706-W737 HydrophobicContact CD2-CZ3 4.47Å; L706-W737 HydrophobicContact CG-CZ3 4.32Å
707	H	93.1	Very high	91.3	Very high	68 Å²	68	46 Å²	46	32%	0.315	24%	0.237	S	C	.	.			trans	-128.2	68.5	-168.1	-58.3	106.1	0	0	0	112.1	Y458 F460 N692 Q705	Y458-H707 PolarHBondContact O-N 3.5Å; F460-H707 AromaticContact CD2-CE1 3.72Å; F460-H707 AromaticContact CD2-ND1 3.34Å; F460-H707 VanDerWaalsContact CD2-ND1 3.34Å; F460-H707 WeakPolarHBondContact CD2-ND1 3.38Å; F460-H707 AromaticContact CE2-CE1 4Å; F460-H707 AromaticContact CE2-ND1 3.38Å; F460-H707 WeakPolarHBondContact CE2-ND1 3.44Å; N692-H707 PolarHBondContact OD1-CD2 3.03Å; N692-H707 PolarHBondContact OD1-NE2 3.43Å; Q705-H707 PolarHBondContact NE2-NE2 2.92Å
708	L	92.5	Very high	91.7	Very high	44 Å²	44	45.6 Å²	45.6	23%	0.23	24%	0.235	C	C	.	.			trans	-124.3	11.3	171	-66.6	-179.7	0	0	0	114.2	Y458 L733 N735 W737 S744	Y458-L708 HydrophobicContact CD1-CD2 4.17Å; Y458-L708 HydrophobicContact CD2-CD1 3.59Å; Y458-L708 HydrophobicContact CD2-CD2 4.01Å; Y458-L708 HydrophobicContact CD2-CG 3.63Å; Y458-L708 HydrophobicContact CE2-CD1 3.82Å; Y458-L708 HydrophobicContact CE2-CG 4.37Å; Y458-L708 HydrophobicContact CG-CD1 4.07Å; Y458-L708 HydrophobicContact CG-CD2 3.64Å; Y458-L708 HydrophobicContact CG-CG 3.8Å; L708-L733 WeakPolarHBondContact O-CD1 3.34Å; L708-N735 PolarHBondContact O-ND2 2.97Å; L708-N735 VanDerWaalsContact O-ND2 3.08Å; L708-W737 HydrophobicContact CB-CH2 3.54Å; L708-W737 HydrophobicContact CB-CZ2 4.03Å; L708-W737 HydrophobicContact CB-CZ3 4.4Å; L708-W737 HydrophobicContact CD1-CH2 3.69Å; L708-W737 HydrophobicContact CD1-CZ2 4.5Å; L708-W737 HydrophobicContact CD1-CZ3 3.7Å; L708-W737 HydrophobicContact CG-CH2 3.67Å; L708-W737 HydrophobicContact CG-CZ3 4.07Å; L708-S744 VanDerWaalsContact CD1-CB 3.49Å; L708-S744 WeakPolarHBondContact CD1-OG 3.26Å
709	H	93.6	Very high	92.4	Very high	11 Å²	11	43.2 Å²	43.2	5%	0.051	22%	0.224	C	C	.	.			trans	-109.8	144	169.4	-76	-72.7	0	0	0	110.6	S691 V713 S727 G729 D731 L733 N735	S691-H709 VanDerWaalsContact CB-O 3.26Å; S691-H709 WeakPolarHBondContact CB-O 3.49Å; S691-H709 WeakPolarHBondContact O-CB 3.4Å; S691-H709 PolarHBondContact OG-O 3.06Å; H709-V713 HydrophobicContact CB-CG2 4.4Å; H709-S727 PolarHBondContact NE2-OG 3.01Å; H709-G729 PolarHBondContact CE1-N 2.99Å; H709-D731 WeakPolarHBondContact CA-OD2 3.11Å; H709-D731 WeakPolarHBondContact CB-OD2 3.33Å; H709-D731 IonicContact CE1-OD1 2.64Å; H709-D731 IonicContact CG-OD2 2.69Å; H709-D731 IonicContact ND1-OD1 2.71Å; H709-D731 PolarHBondContact ND1-OD1 3.02Å; H709-D731 IonicContact ND1-OD2 3.67Å; H709-D731 PolarHBondContact ND1-OD2 2.85Å; H709-L733 PolarHBondContact CE1-O 3.45Å; H709-N735 PolarHBondContact CD2-ND2 3.5Å; H709-N735 PolarHBondContact CE1-ND2 3.41Å; H709-N735 PolarHBondContact ND1-ND2 2.91Å; H709-N735 PolarHBondContact NE2-ND2 2.87Å
710	E	92.3	Very high	93.1	Very high	161 Å²	161	43.9 Å²	43.9	75%	0.752	22%	0.216	S	C	*	.	S	Bend	trans	-96.5	-6.3	176.3	-62.4	178	165.5	0	0	111.6	D731	E710-D731 HydrophobicContact CB-CB 4.07Å; E710-D731 PolarHBondContact N-OD2 3.23Å
711	S	95.2	Very high	93.5	Very high	38 Å²	38	40.9 Å²	40.9	27%	0.266	21%	0.209	S	C	.	.	S	Bend	trans	-155	179.8	-179.3	-158.2	0	0	0	0	111.7	S691	S691-S711 WeakPolarHBondContact CA-O 3.35Å; S691-S711 WeakPolarHBondContact CB-O 3.25Å
712	C	95.2	Very high	94.1	Very high	17 Å²	17	36.7 Å²	36.7	12%	0.115	18%	0.182	C	C	.	.			trans	-49.9	137.4	-171	-44.8	0	0	0	0	113.9	F673 E689 L714 G729 K730	F673-C712 HydrophobicContact CD2-CB 3.95Å; F673-C712 HydrophobicContact CE2-CB 3.77Å; E689-C712 WeakPolarHBondContact O-CA 3.48Å; E689-C712 PolarHBondContact O-SG 3.32Å; C712-L714 HydrophobicContact CB-CD2 4.23Å; C712-L714 PolarHBondContact O-N 3.4Å; C712-G729 WeakPolarHBondContact O-CA 3.49Å; C712-K730 HydrophobicContact CB-CB 4.41Å; C712-K730 PolarHBondContact O-N 3.13Å
713	V	96.9	Very high	94.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	98.3	178.3	-172.4	0	0	0	0	110.2	S674 M688 S691 V693 H709 T728	S674-V713 PolarHBondContact OG-O 3.09Å; S674-V713 VanDerWaalsContact OG-O 3.09Å; M688-V713 PolarHBondContact O-N 2.94Å; S691-V713 WeakPolarHBondContact O-CG2 3.38Å; V693-V713 HydrophobicContact CG2-CG1 4.06Å; V693-V713 HydrophobicContact CG2-CG2 3.94Å; H709-V713 HydrophobicContact CB-CG2 4.4Å; V713-T728 CarbonylContact C-O 3.51Å
714	L	96.2	Very high	94.6	Very high	39 Å²	39	36.2 Å²	36.2	20%	0.204	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-31.3	-168.1	-58.1	175.2	0	0	0	113.3	F673 C712 T728 K730 L755	F673-L714 HydrophobicContact CD2-CD2 4.5Å; C712-L714 HydrophobicContact CB-CD2 4.23Å; C712-L714 PolarHBondContact O-N 3.4Å; L714-T728 PolarHBondContact N-O 3.32Å; L714-K730 HydrophobicContact CD1-CB 3.89Å; L714-K730 HydrophobicContact CD1-CG 4.48Å; L714-K730 HydrophobicContact CD2-CB 4.5Å; L714-K730 HydrophobicContact CG-CB 4.24Å; L714-L755 HydrophobicContact CD1-CD2 4Å; L714-L755 HydrophobicContact CD1-CG 4.31Å
715	S	96.4	Very high	94.7	Very high	21 Å²	21	34.6 Å²	34.6	15%	0.147	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	152.6	179.9	-147.3	0	0	0	0	111.9	S727 T728 C757	S715-S727 CarbonylContact O-C 3.55Å; S715-S727 WeakPolarHBondContact O-CA 3.44Å; S715-T728 WeakPolarHBondContact CB-OG1 3.26Å; S715-T728 PolarHBondContact N-O 2.88Å; S715-T728 PolarHBondContact N-OG1 3.5Å; S715-T728 PolarHBondContact O-N 3.5Å; S715-C757 PolarHBondContact OG-N 2.94Å; S715-C757 PolarHBondContact OG-SG 3.27Å
716	L	96.5	Very high	94.9	Very high	12 Å²	12	33.4 Å²	33.4	6%	0.063	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	136	177	-166.8	150.1	0	0	0	108.8	A685 V693 F718 F725 V726	A685-L716 HydrophobicContact CB-CD1 3.69Å; A685-L716 HydrophobicContact CB-CD2 3.88Å; A685-L716 HydrophobicContact CB-CG 4.45Å; V693-L716 HydrophobicContact CG1-CD1 3.9Å; L716-F718 HydrophobicContact CD2-CD2 4.09Å; L716-F718 HydrophobicContact CD2-CE2 4.03Å; L716-F725 HydrophobicContact CD1-CD2 4.25Å; L716-F725 HydrophobicContact CD1-CE2 4.19Å; L716-F725 HydrophobicContact CD2-CD2 4.23Å; L716-F725 HydrophobicContact CG-CD2 4.18Å; L716-V726 WeakPolarHBondContact CA-O 3.39Å
717	K	97.2	Very high	95.1	Very high	38 Å²	38	33.3 Å²	33.3	17%	0.165	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	129.2	174.2	179.8	64.3	-170.4	-63.5	0	110.7	Y720 F725 V726 D758 I759	K717-Y720 PolarHBondContact NZ-OH 2.74Å; K717-F725 WeakPolarHBondContact O-CA 3.41Å; K717-F725 WeakPolarHBondContact O-CB 3.33Å; K717-V726 HydrophobicContact CB-CG2 4.31Å; K717-V726 PolarHBondContact N-O 3.34Å; K717-V726 PolarHBondContact O-N 3.48Å; K717-D758 IonicContact NZ-OD1 3.16Å; K717-D758 PolarHBondContact NZ-OD1 2.89Å; K717-I759 HydrophobicContact CB-CD1 4.34Å; K717-I759 HydrophobicContact CB-CG1 4.3Å; K717-I759 HydrophobicContact CG-CB 4.11Å; K717-I759 HydrophobicContact CG-CD1 4Å; K717-I759 HydrophobicContact CG-CG1 3.76Å; K717-I759 PolarHBondContact NZ-O 2.97Å
718	F	96.9	Very high	95.2	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.018	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	145.1	168.4	-83.5	-93.6	0	0	0	111.7	G676 C678 P679 A685 L716 F725 T739	G676-F718 VanDerWaalsContact O-CE2 3.27Å; G676-F718 WeakPolarHBondContact O-CE2 3.43Å; C678-F718 HydrophobicContact CB-CD1 4.06Å; C678-F718 HydrophobicContact CB-CE1 3.74Å; C678-F718 HydrophobicContact CB-CZ 4.02Å; P679-F718 VanDerWaalsContact CD-CB 3.46Å; P679-F718 HydrophobicContact CG-CB 4.07Å; A685-F718 HydrophobicContact CB-CE2 3.64Å; A685-F718 HydrophobicContact CB-CZ 3.78Å; L716-F718 HydrophobicContact CD2-CD2 4.09Å; L716-F718 HydrophobicContact CD2-CE2 4.03Å; F718-F725 HydrophobicContact CB-CB 4.36Å; F718-F725 HydrophobicContact CD1-CB 3.71Å; F718-F725 HydrophobicContact CD1-CD1 4.33Å; F718-F725 HydrophobicContact CD1-CG 4.39Å; F718-F725 HydrophobicContact CD2-CB 4.2Å; F718-F725 HydrophobicContact CE1-CB 3.95Å; F718-F725 AromaticContact CE1-CD1 3.73Å; F718-F725 HydrophobicContact CE1-CD1 3.73Å; F718-F725 HydrophobicContact CE1-CG 4.12Å; F718-F725 HydrophobicContact CE2-CB 4.4Å; F718-F725 HydrophobicContact CG-CB 3.84Å; F718-F725 HydrophobicContact CZ-CB 4.29Å; F718-F725 AromaticContact CZ-CD1 3.94Å; F718-F725 HydrophobicContact CZ-CD1 3.94Å; F718-F725 HydrophobicContact CZ-CG 4.2Å; F718-T739 HydrophobicContact CE1-CG2 3.93Å
719	A	96	Very high	95.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.			trans	-67.4	146.7	162.2	0	0	0	0	0	109.8	P679 C721 G722 W724 I759 D763	P679-A719 WeakPolarHBondContact CG-O 3.37Å; A719-C721 PolarHBondContact O-N 2.96Å; A719-G722 WeakPolarHBondContact O-CA 3.37Å; A719-G722 PolarHBondContact O-N 3.43Å; A719-W724 HydrophobicContact CB-CD2 3.73Å; A719-W724 HydrophobicContact CB-CE3 4.41Å; A719-W724 HydrophobicContact CB-CG 3.99Å; A719-W724 HydrophobicContact CB-CH2 4.41Å; A719-W724 HydrophobicContact CB-CZ2 3.73Å; A719-W724 VanDerWaalsContact CB-O 3.28Å; A719-W724 WeakPolarHBondContact CB-O 3.46Å; A719-W724 PolarHBondContact N-O 2.86Å; A719-I759 HydrophobicContact CB-CD1 4.47Å; A719-D763 WeakPolarHBondContact CA-OD1 3.43Å; A719-D763 WeakPolarHBondContact CB-OD1 3.33Å
720	Y	92.9	Very high	95.4	Very high	112 Å²	112	32.7 Å²	32.7	44%	0.439	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-25	-176.8	-71.1	-96.7	0	0	0	112.5	K717 G722 I759 S760 D763	K717-Y720 PolarHBondContact NZ-OH 2.74Å; Y720-G722 PolarHBondContact O-N 3Å; Y720-I759 WeakPolarHBondContact CE2-O 3.21Å; Y720-S760 WeakPolarHBondContact CD2-O 3.35Å; Y720-S760 WeakPolarHBondContact CE2-O 3.39Å; Y720-D763 WeakPolarHBondContact CD2-OD1 3.43Å; Y720-D763 PolarHBondContact N-OD1 3.49Å; Y720-D763 PolarHBondContact N-OD2 3.28Å
721	C	92.3	Very high	95.5	Very high	45 Å²	45	25.8 Å²	25.8	30%	0.304	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-4.8	169	67.7	0	0	0	0	115.2	A719 K723 D763	A719-C721 PolarHBondContact O-N 2.96Å; C721-K723 PolarHBondContact O-N 3.17Å; C721-D763 WeakPolarHBondContact CB-OD2 3.26Å; C721-D763 PolarHBondContact N-OD2 3.1Å; C721-D763 PolarHBondContact SG-OD2 3.44Å
722	G	92.9	Very high	95.5	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.01	12%	0.124	C	C	.	.	S	Bend	trans	69.1	-20.6	178.8	0	0	0	0	0	116.5	C678 A719 Y720 W724 T739	C678-G722 PolarHBondContact SG-O 2.9Å; A719-G722 WeakPolarHBondContact O-CA 3.37Å; A719-G722 PolarHBondContact O-N 3.43Å; Y720-G722 PolarHBondContact O-N 3Å; G722-W724 PolarHBondContact O-N 3.47Å; G722-T739 WeakPolarHBondContact O-CB 3.19Å; G722-T739 PolarHBondContact O-OG1 3.13Å
723	K	93.1	Very high	95.5	Very high	89 Å²	89	25.5 Å²	25.5	39%	0.387	12%	0.122	S	C	.	.	S	Bend	trans	-63.3	-23.5	-174.3	-71	173.3	176.1	173.6	0	115.1	P481 I483 C721 R738 T739	P481-K723 PolarHBondContact O-NZ 3.27Å; I483-K723 HydrophobicContact CD1-CB 3.83Å; I483-K723 HydrophobicContact CD1-CD 4.3Å; C721-K723 PolarHBondContact O-N 3.17Å; K723-R738 PolarHBondContact O-NH1 3.17Å; K723-T739 VanDerWaalsContact C-OG1 3.28Å; K723-T739 PolarHBondContact O-N 3.02Å; K723-T739 PolarHBondContact O-OG1 3.31Å
724	W	95.3	Very high	95.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	162.4	-179.4	64.1	-79.8	0	0	0	111.4	P484 A719 G722 V726 W737 T739 I745 I759 D763 I766 V780 Y782	P484-W724 HydrophobicContact CG-CD2 3.76Å; P484-W724 HydrophobicContact CG-CE3 4.09Å; P484-W724 HydrophobicContact CG-CG 4.31Å; P484-W724 HydrophobicContact CG-CH2 4.1Å; P484-W724 HydrophobicContact CG-CZ2 3.74Å; P484-W724 HydrophobicContact CG-CZ3 4.23Å; A719-W724 HydrophobicContact CB-CD2 3.73Å; A719-W724 HydrophobicContact CB-CE3 4.41Å; A719-W724 HydrophobicContact CB-CG 3.99Å; A719-W724 HydrophobicContact CB-CH2 4.41Å; A719-W724 HydrophobicContact CB-CZ2 3.73Å; A719-W724 VanDerWaalsContact CB-O 3.28Å; A719-W724 WeakPolarHBondContact CB-O 3.46Å; A719-W724 PolarHBondContact N-O 2.86Å; G722-W724 PolarHBondContact O-N 3.47Å; W724-V726 HydrophobicContact CE3-CG1 4.2Å; W724-V726 HydrophobicContact CZ3-CG1 3.62Å; W724-W737 CarbonylContact C-O 3.57Å; W724-W737 WeakPolarHBondContact CA-O 3.48Å; W724-W737 VanDerWaalsContact CB-O 3.24Å; W724-W737 WeakPolarHBondContact CB-O 3.46Å; W724-T739 WeakPolarHBondContact CA-OG1 3.39Å; W724-T739 PolarHBondContact N-OG1 2.91Å; W724-I745 HydrophobicContact CB-CD1 3.55Å; W724-I745 HydrophobicContact CG-CD1 4.34Å; W724-I759 HydrophobicContact CH2-CD1 4.13Å; W724-I759 HydrophobicContact CZ3-CD1 4.17Å; W724-D763 HydrophobicContact CZ2-CB 4.3Å; W724-I766 HydrophobicContact CH2-CD1 3.94Å; W724-I766 HydrophobicContact CH2-CG1 4.17Å; W724-I766 HydrophobicContact CZ3-CD1 4.03Å; W724-V780 HydrophobicContact CH2-CG1 4.21Å; W724-V780 HydrophobicContact CH2-CG2 4.19Å; W724-V780 HydrophobicContact CZ2-CG1 4.12Å; W724-Y782 VanDerWaalsContact CZ2-OH 3.29Å; W724-Y782 WeakPolarHBondContact CZ2-OH 3.42Å; W724-Y782 PolarHBondContact NE1-OH 3.1Å
725	F	96.9	Very high	95.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	165.2	175.2	65.5	-88.9	0	0	0	110.8	A685 V693 V695 L706 L716 K717 F718 A736 W737	A685-F725 HydrophobicContact CB-CE2 4.26Å; A685-F725 HydrophobicContact CB-CZ 4.31Å; V693-F725 HydrophobicContact CG1-CE2 4.14Å; V693-F725 HydrophobicContact CG1-CZ 4.43Å; V695-F725 HydrophobicContact CG2-CE1 4.2Å; V695-F725 HydrophobicContact CG2-CZ 3.85Å; L706-F725 HydrophobicContact CD1-CZ 3.97Å; L716-F725 HydrophobicContact CD1-CD2 4.25Å; L716-F725 HydrophobicContact CD1-CE2 4.19Å; L716-F725 HydrophobicContact CD2-CD2 4.23Å; L716-F725 HydrophobicContact CG-CD2 4.18Å; K717-F725 WeakPolarHBondContact O-CA 3.41Å; K717-F725 WeakPolarHBondContact O-CB 3.33Å; F718-F725 HydrophobicContact CB-CB 4.36Å; F718-F725 HydrophobicContact CD1-CB 3.71Å; F718-F725 HydrophobicContact CD1-CD1 4.33Å; F718-F725 HydrophobicContact CD1-CG 4.39Å; F718-F725 HydrophobicContact CD2-CB 4.2Å; F718-F725 HydrophobicContact CE1-CB 3.95Å; F718-F725 AromaticContact CE1-CD1 3.73Å; F718-F725 HydrophobicContact CE1-CD1 3.73Å; F718-F725 HydrophobicContact CE1-CG 4.12Å; F718-F725 HydrophobicContact CE2-CB 4.4Å; F718-F725 HydrophobicContact CG-CB 3.84Å; F718-F725 HydrophobicContact CZ-CB 4.29Å; F718-F725 AromaticContact CZ-CD1 3.94Å; F718-F725 HydrophobicContact CZ-CD1 3.94Å; F718-F725 HydrophobicContact CZ-CG 4.2Å; F725-A736 WeakPolarHBondContact O-CA 3.36Å; F725-W737 HydrophobicContact CD1-CB 3.97Å; F725-W737 HydrophobicContact CD2-CB 4.04Å; F725-W737 AromaticContact CD2-CD1 3.71Å; F725-W737 HydrophobicContact CD2-CG 4.18Å; F725-W737 HydrophobicContact CE1-CB 3.61Å; F725-W737 HydrophobicContact CE1-CG 4.4Å; F725-W737 HydrophobicContact CE2-CB 3.67Å; F725-W737 AromaticContact CE2-CD1 3.35Å; F725-W737 AromaticContact CE2-CG 3.62Å; F725-W737 HydrophobicContact CE2-CG 3.62Å; F725-W737 HydrophobicContact CG-CB 4.17Å; F725-W737 HydrophobicContact CZ-CB 3.45Å; F725-W737 VanDerWaalsContact CZ-CB 3.45Å; F725-W737 AromaticContact CZ-CD1 3.98Å; F725-W737 AromaticContact CZ-CG 3.76Å; F725-W737 HydrophobicContact CZ-CG 3.76Å; F725-W737 PolarHBondContact N-O 2.9Å; F725-W737 PolarHBondContact O-N 2.8Å
726	V	97.4	Very high	95.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	148.6	170.7	-56.2	0	0	0	0	111	L716 K717 W724 L734 N735 A736 C757 I759 I766	L716-V726 WeakPolarHBondContact CA-O 3.39Å; K717-V726 HydrophobicContact CB-CG2 4.31Å; K717-V726 PolarHBondContact N-O 3.34Å; K717-V726 PolarHBondContact O-N 3.48Å; W724-V726 HydrophobicContact CE3-CG1 4.2Å; W724-V726 HydrophobicContact CZ3-CG1 3.62Å; V726-L734 HydrophobicContact CB-CD1 3.84Å; V726-L734 HydrophobicContact CG1-CD1 4.18Å; V726-L734 HydrophobicContact CG2-CD1 4.22Å; V726-N735 CarbonylContact C-O 3.52Å; V726-N735 VanDerWaalsContact CA-O 3.26Å; V726-N735 WeakPolarHBondContact CA-O 3.34Å; V726-A736 HydrophobicContact CG1-CB 4.29Å; V726-C757 HydrophobicContact CG2-CB 4.29Å; V726-I759 HydrophobicContact CG1-CD1 4.25Å; V726-I759 HydrophobicContact CG2-CD1 4.11Å; V726-I759 HydrophobicContact CG2-CG1 4.48Å; V726-I766 HydrophobicContact CG1-CD1 4.13Å
727	S	97.1	Very high	95.4	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	147.5	162.9	67.7	0	0	0	0	110.4	H709 S715 N735 W737	H709-S727 PolarHBondContact NE2-OG 3.01Å; S715-S727 CarbonylContact O-C 3.55Å; S715-S727 WeakPolarHBondContact O-CA 3.44Å; S727-N735 PolarHBondContact N-O 2.92Å; S727-N735 PolarHBondContact O-N 3.36Å; S727-W737 PolarHBondContact OG-NE1 2.61Å
728	T	96.8	Very high	95.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.7	179.6	74	0	0	0	0	111.2	V713 L714 S715 L733 L734 V754 C757 T768	V713-T728 CarbonylContact C-O 3.51Å; L714-T728 PolarHBondContact N-O 3.32Å; S715-T728 WeakPolarHBondContact CB-OG1 3.26Å; S715-T728 PolarHBondContact N-O 2.88Å; S715-T728 PolarHBondContact N-OG1 3.5Å; S715-T728 PolarHBondContact O-N 3.5Å; T728-L733 WeakPolarHBondContact CA-O 3.31Å; T728-L734 HydrophobicContact CG2-CD1 3.81Å; T728-V754 VanDerWaalsContact CB-O 3.32Å; T728-V754 WeakPolarHBondContact CB-O 3.23Å; T728-V754 HydrophobicContact CG2-CB 4.41Å; T728-V754 HydrophobicContact CG2-CG1 3.67Å; T728-V754 PolarHBondContact OG1-O 2.75Å; T728-C757 HydrophobicContact CG2-CB 3.77Å; T728-T768 HydrophobicContact CG2-CG2 4.48Å
729	G	94.4	Very high	95.2	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	157.6	-172.2	0	0	0	0	0	114.5	H709 C712 D731 N732 L733 V754	H709-G729 PolarHBondContact CE1-N 2.99Å; C712-G729 WeakPolarHBondContact O-CA 3.49Å; G729-D731 VanDerWaalsContact CA-OD1 3.26Å; G729-D731 WeakPolarHBondContact CA-OD1 3.28Å; G729-D731 PolarHBondContact O-N 2.68Å; G729-N732 PolarHBondContact O-N 3.18Å; G729-L733 PolarHBondContact N-O 2.75Å; G729-V754 PolarHBondContact O-N 2.8Å
730	K	94.8	Very high	95	Very high	110 Å²	110	23 Å²	23	48%	0.478	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-18.4	168.6	-169.7	176.9	177.5	-177.7	0	112.8	C712 L714 N732 S753	C712-K730 HydrophobicContact CB-CB 4.41Å; C712-K730 PolarHBondContact O-N 3.13Å; L714-K730 HydrophobicContact CD1-CB 3.89Å; L714-K730 HydrophobicContact CD1-CG 4.48Å; L714-K730 HydrophobicContact CD2-CB 4.5Å; L714-K730 HydrophobicContact CG-CB 4.24Å; K730-N732 PolarHBondContact O-N 3Å; K730-N732 PolarHBondContact O-OD1 3.46Å; K730-S753 WeakPolarHBondContact O-CB 3.33Å; K730-S753 PolarHBondContact O-OG 3.21Å
731	D	93.9	Very high	94.8	Very high	15 Å²	15	18.8 Å²	18.8	8%	0.08	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	5.6	173	58.1	11.6	0	0	0	115.2	H709 E710 G729 L733	H709-D731 WeakPolarHBondContact CA-OD2 3.11Å; H709-D731 WeakPolarHBondContact CB-OD2 3.33Å; H709-D731 IonicContact CE1-OD1 2.64Å; H709-D731 IonicContact CG-OD2 2.69Å; H709-D731 IonicContact ND1-OD1 2.71Å; H709-D731 PolarHBondContact ND1-OD1 3.02Å; H709-D731 IonicContact ND1-OD2 3.67Å; H709-D731 PolarHBondContact ND1-OD2 2.85Å; E710-D731 HydrophobicContact CB-CB 4.07Å; E710-D731 PolarHBondContact N-OD2 3.23Å; G729-D731 VanDerWaalsContact CA-OD1 3.26Å; G729-D731 WeakPolarHBondContact CA-OD1 3.28Å; G729-D731 PolarHBondContact O-N 2.68Å; D731-L733 VanDerWaalsContact C-N 3.31Å; D731-L733 PolarHBondContact O-N 2.93Å; D731-L733 WeakPolarHBondContact OD1-CB 3.27Å; D731-L733 PolarHBondContact OD1-N 3.46Å
732	N	95.6	Very high	94.8	Very high	38 Å²	38	16.6 Å²	16.6	20%	0.203	8%	0.077	C	C	.	.	S	Bend	trans	72.6	15.5	-178.7	-34.9	-22.2	0	0	0	114.1	G729 K730 E750 S752 S753	G729-N732 PolarHBondContact O-N 3.18Å; K730-N732 PolarHBondContact O-N 3Å; K730-N732 PolarHBondContact O-OD1 3.46Å; N732-E750 VanDerWaalsContact CB-O 3.26Å; N732-E750 WeakPolarHBondContact CB-O 3.39Å; N732-E750 PolarHBondContact O-N 3.23Å; N732-S752 VanDerWaalsContact CG-CA 3.45Å; N732-S752 WeakPolarHBondContact OD1-CA 3.35Å; N732-S753 WeakPolarHBondContact OD1-CA 3.46Å; N732-S753 PolarHBondContact OD1-N 2.99Å
733	L	95.6	Very high	94.8	Very high	11 Å²	11	16.6 Å²	16.6	6%	0.058	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	135.5	178.7	-59.4	178.4	0	0	0	112.4	L708 H709 T728 G729 D731 Q747 K749	L708-L733 WeakPolarHBondContact O-CD1 3.34Å; H709-L733 PolarHBondContact CE1-O 3.45Å; T728-L733 WeakPolarHBondContact CA-O 3.31Å; G729-L733 PolarHBondContact N-O 2.75Å; D731-L733 VanDerWaalsContact C-N 3.31Å; D731-L733 PolarHBondContact O-N 2.93Å; D731-L733 WeakPolarHBondContact OD1-CB 3.27Å; D731-L733 PolarHBondContact OD1-N 3.46Å; L733-Q747 HydrophobicContact CD2-CG 4.07Å; L733-K749 HydrophobicContact CD2-CB 3.95Å; L733-K749 HydrophobicContact CD2-CD 3.93Å; L733-K749 HydrophobicContact CD2-CG 3.97Å
734	L	96.7	Very high	94.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	107.2	156.9	169.1	67.3	0	0	0	107	V726 T728 F746 Q747 S748 I766 T768 Y778	V726-L734 HydrophobicContact CB-CD1 3.84Å; V726-L734 HydrophobicContact CG1-CD1 4.18Å; V726-L734 HydrophobicContact CG2-CD1 4.22Å; T728-L734 HydrophobicContact CG2-CD1 3.81Å; L734-F746 HydrophobicContact CD2-CE2 4.44Å; L734-Q747 WeakPolarHBondContact O-CA 3.41Å; L734-S748 PolarHBondContact N-O 2.86Å; L734-S748 PolarHBondContact O-N 3.31Å; L734-I766 HydrophobicContact CD2-CG2 4.49Å; L734-T768 HydrophobicContact CD1-CG2 4.16Å; L734-T768 HydrophobicContact CD2-CG2 4.06Å; L734-Y778 HydrophobicContact CD2-CD2 4.19Å; L734-Y778 HydrophobicContact CD2-CE2 3.95Å
735	N	96.4	Very high	94.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	132.7	177.3	-77	-44.7	0	0	0	109.7	L708 H709 V726 S727 W737 Q747	L708-N735 PolarHBondContact O-ND2 2.97Å; L708-N735 VanDerWaalsContact O-ND2 3.08Å; H709-N735 PolarHBondContact CD2-ND2 3.5Å; H709-N735 PolarHBondContact CE1-ND2 3.41Å; H709-N735 PolarHBondContact ND1-ND2 2.91Å; H709-N735 PolarHBondContact NE2-ND2 2.87Å; V726-N735 CarbonylContact C-O 3.52Å; V726-N735 VanDerWaalsContact CA-O 3.26Å; V726-N735 WeakPolarHBondContact CA-O 3.34Å; S727-N735 PolarHBondContact N-O 2.92Å; S727-N735 PolarHBondContact O-N 3.36Å; N735-W737 HydrophobicContact CB-CZ2 3.95Å; N735-Q747 WeakPolarHBondContact OD1-CG 3.47Å; N735-Q747 PolarHBondContact OD1-NE2 3.43Å
736	A	96.4	Very high	94.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	134.7	172.5	0	0	0	0	0	111.1	F725 V726 I745 F746	F725-A736 WeakPolarHBondContact O-CA 3.36Å; V726-A736 HydrophobicContact CG1-CB 4.29Å; A736-I745 HydrophobicContact CB-CB 4.33Å; A736-I745 PolarHBondContact O-N 3.41Å; A736-F746 HydrophobicContact CB-CD1 3.63Å; A736-F746 HydrophobicContact CB-CD2 3.91Å; A736-F746 HydrophobicContact CB-CE1 3.4Å; A736-F746 HydrophobicContact CB-CE2 3.68Å; A736-F746 HydrophobicContact CB-CG 3.87Å; A736-F746 HydrophobicContact CB-CZ 3.41Å; A736-F746 VanDerWaalsContact CB-CZ 3.41Å; A736-F746 PolarHBondContact N-O 2.86Å
737	W	95.6	Very high	94.4	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	138.4	-164.2	-56.4	99.6	0	0	0	111.8	Y458 L706 L708 W724 F725 S727 N735 G742 A743 I745	Y458-W737 HydrophobicContact CD2-CZ3 4.03Å; Y458-W737 HydrophobicContact CE2-CZ3 4.14Å; L706-W737 HydrophobicContact CB-CH2 3.68Å; L706-W737 HydrophobicContact CB-CZ2 4.33Å; L706-W737 HydrophobicContact CB-CZ3 3.81Å; L706-W737 HydrophobicContact CD1-CD2 4.1Å; L706-W737 HydrophobicContact CD1-CE3 3.88Å; L706-W737 HydrophobicContact CD1-CH2 4.39Å; L706-W737 HydrophobicContact CD1-CZ3 4.02Å; L706-W737 HydrophobicContact CD2-CZ3 4.47Å; L706-W737 HydrophobicContact CG-CZ3 4.32Å; L708-W737 HydrophobicContact CB-CH2 3.54Å; L708-W737 HydrophobicContact CB-CZ2 4.03Å; L708-W737 HydrophobicContact CB-CZ3 4.4Å; L708-W737 HydrophobicContact CD1-CH2 3.69Å; L708-W737 HydrophobicContact CD1-CZ2 4.5Å; L708-W737 HydrophobicContact CD1-CZ3 3.7Å; L708-W737 HydrophobicContact CG-CH2 3.67Å; L708-W737 HydrophobicContact CG-CZ3 4.07Å; W724-W737 CarbonylContact C-O 3.57Å; W724-W737 WeakPolarHBondContact CA-O 3.48Å; W724-W737 VanDerWaalsContact CB-O 3.24Å; W724-W737 WeakPolarHBondContact CB-O 3.46Å; F725-W737 HydrophobicContact CD1-CB 3.97Å; F725-W737 HydrophobicContact CD2-CB 4.04Å; F725-W737 AromaticContact CD2-CD1 3.71Å; F725-W737 HydrophobicContact CD2-CG 4.18Å; F725-W737 HydrophobicContact CE1-CB 3.61Å; F725-W737 HydrophobicContact CE1-CG 4.4Å; F725-W737 HydrophobicContact CE2-CB 3.67Å; F725-W737 AromaticContact CE2-CD1 3.35Å; F725-W737 AromaticContact CE2-CG 3.62Å; F725-W737 HydrophobicContact CE2-CG 3.62Å; F725-W737 HydrophobicContact CG-CB 4.17Å; F725-W737 HydrophobicContact CZ-CB 3.45Å; F725-W737 VanDerWaalsContact CZ-CB 3.45Å; F725-W737 AromaticContact CZ-CD1 3.98Å; F725-W737 AromaticContact CZ-CG 3.76Å; F725-W737 HydrophobicContact CZ-CG 3.76Å; F725-W737 PolarHBondContact N-O 2.9Å; F725-W737 PolarHBondContact O-N 2.8Å; S727-W737 PolarHBondContact OG-NE1 2.61Å; N735-W737 HydrophobicContact CB-CZ2 3.95Å; W737-G742 VanDerWaalsContact CE3-O 3.28Å; W737-G742 WeakPolarHBondContact CZ3-O 3.46Å; W737-A743 CarbonylContact C-O 3.6Å; W737-A743 WeakPolarHBondContact CA-O 3.31Å; W737-I745 VanDerWaalsContact C-CD1 3.5Å
738	R	95.1	Very high	94.3	Very high	30 Å²	30	22.3 Å²	22.3	11%	0.113	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	123.9	172.7	-173.7	75.5	176.1	79.7	12.4	110.6	D476 A477 K723 Y741 G742 A743 I745	D476-R738 PolarHBondContact O-NE 2.67Å; D476-R738 IonicContact OD2-CZ 2.91Å; D476-R738 IonicContact OD2-NE 3.22Å; D476-R738 IonicContact OD2-NH2 2.62Å; D476-R738 PolarHBondContact OD2-NH2 3.07Å; A477-R738 WeakPolarHBondContact O-CB 3.24Å; A477-R738 WeakPolarHBondContact O-CD 3.48Å; A477-R738 VanDerWaalsContact O-CG 3.3Å; A477-R738 WeakPolarHBondContact O-CG 3.41Å; K723-R738 PolarHBondContact O-NH1 3.17Å; R738-Y741 HydrophobicContact CB-CE2 3.96Å; R738-Y741 HydrophobicContact CG-CD2 4.49Å; R738-Y741 HydrophobicContact CG-CE2 3.53Å; R738-Y741 WeakPolarHBondContact CG-OH 3.48Å; R738-G742 WeakPolarHBondContact O-CA 3.43Å; R738-G742 PolarHBondContact O-N 2.8Å; R738-A743 HydrophobicContact CB-CB 3.92Å; R738-A743 PolarHBondContact N-O 3.33Å; R738-I745 HydrophobicContact CB-CD1 4.19Å; R738-I745 HydrophobicContact CB-CG1 4.22Å
739	T	93.6	Very high	94.2	Very high	10 Å²	10	28.7 Å²	28.7	6%	0.061	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	137.3	174.3	-46.7	0	0	0	0	110.7	F718 G722 K723 W724	F718-T739 HydrophobicContact CE1-CG2 3.93Å; G722-T739 WeakPolarHBondContact O-CB 3.19Å; G722-T739 PolarHBondContact O-OG1 3.13Å; K723-T739 VanDerWaalsContact C-OG1 3.28Å; K723-T739 PolarHBondContact O-N 3.02Å; K723-T739 PolarHBondContact O-OG1 3.31Å; W724-T739 WeakPolarHBondContact CA-OG1 3.39Å; W724-T739 PolarHBondContact N-OG1 2.91Å
740	P	91.1	Very high	94.2	Very high	22 Å²	22	29.3 Å²	29.3	14%	0.143	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	cis	-94.8	-23.7	-5.4	36.1	-35.1	0	0	0	114.2	W683 V695 Y704 G742	W683-P740 HydrophobicContact CD2-CB 3.4Å; W683-P740 VanDerWaalsContact CD2-CB 3.4Å; W683-P740 HydrophobicContact CD2-CG 4.22Å; W683-P740 VanDerWaalsContact CE2-CB 3.41Å; W683-P740 HydrophobicContact CE3-CB 3.75Å; W683-P740 HydrophobicContact CG-CB 3.85Å; W683-P740 HydrophobicContact CH2-CB 4.06Å; W683-P740 HydrophobicContact CH2-CG 4.1Å; W683-P740 HydrophobicContact CZ2-CB 3.75Å; W683-P740 HydrophobicContact CZ2-CG 3.63Å; W683-P740 HydrophobicContact CZ3-CB 4.06Å; V695-P740 HydrophobicContact CG1-CB 4.42Å; Y704-P740 HydrophobicContact CD2-CB 4.23Å; Y704-P740 HydrophobicContact CE2-CB 3.94Å; Y704-P740 HydrophobicContact CE2-CG 3.89Å; P740-G742 PolarHBondContact O-N 3.49Å; P740-G742 VanDerWaalsContact O-N 3.11Å
741	Y	90.1	Very high	94.1	Very high	23 Å²	23	27.9 Å²	27.9	9%	0.09	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	4.7	-168.4	45.6	-107	0	0	0	115.3	S459 F473 P474 A477 R738 A743	S459-Y741 PolarHBondContact OG-O 3.16Å; F473-Y741 AromaticContact CD1-CD2 3.86Å; F473-Y741 HydrophobicContact CD1-CD2 3.86Å; F473-Y741 HydrophobicContact CD1-CE2 4.35Å; F473-Y741 HydrophobicContact CE1-CD2 4.2Å; P474-Y741 HydrophobicContact CG-CE1 3.84Å; P474-Y741 HydrophobicContact CG-CE2 4.43Å; P474-Y741 WeakPolarHBondContact CG-OH 3.44Å; A477-Y741 WeakPolarHBondContact CA-OH 3.35Å; A477-Y741 HydrophobicContact CB-CE2 3.63Å; R738-Y741 HydrophobicContact CB-CE2 3.96Å; R738-Y741 HydrophobicContact CG-CD2 4.49Å; R738-Y741 HydrophobicContact CG-CE2 3.53Å; R738-Y741 WeakPolarHBondContact CG-OH 3.48Å; Y741-A743 HydrophobicContact CD2-CB 4.05Å; Y741-A743 HydrophobicContact CE2-CB 3.9Å; Y741-A743 PolarHBondContact O-N 3.39Å
742	G	91.6	Very high	94.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	45.5	171.7	0	0	0	0	0	114.7	Y458 W737 R738 P740	Y458-G742 WeakPolarHBondContact CE2-O 3.49Å; W737-G742 VanDerWaalsContact CE3-O 3.28Å; W737-G742 WeakPolarHBondContact CZ3-O 3.46Å; R738-G742 WeakPolarHBondContact O-CA 3.43Å; R738-G742 PolarHBondContact O-N 2.8Å; P740-G742 PolarHBondContact O-N 3.49Å; P740-G742 VanDerWaalsContact O-N 3.11Å
743	A	92.8	Very high	94.1	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	134.3	164.6	0	0	0	0	0	109.2	F473 A477 L478 W737 R738 Y741 I745	F473-A743 HydrophobicContact CD1-CB 3.75Å; F473-A743 HydrophobicContact CD2-CB 4.48Å; F473-A743 HydrophobicContact CE1-CB 3.7Å; F473-A743 HydrophobicContact CE2-CB 4.45Å; F473-A743 HydrophobicContact CG-CB 4.15Å; F473-A743 HydrophobicContact CZ-CB 4.07Å; A477-A743 HydrophobicContact CB-CB 3.88Å; L478-A743 HydrophobicContact CD2-CB 3.85Å; W737-A743 CarbonylContact C-O 3.6Å; W737-A743 WeakPolarHBondContact CA-O 3.31Å; R738-A743 HydrophobicContact CB-CB 3.92Å; R738-A743 PolarHBondContact N-O 3.33Å; Y741-A743 HydrophobicContact CD2-CB 4.05Å; Y741-A743 HydrophobicContact CE2-CB 3.9Å; Y741-A743 PolarHBondContact O-N 3.39Å; A743-I745 PolarHBondContact O-N 3.22Å
744	S	94.1	Very high	94.1	Very high	29 Å²	29	27.5 Å²	27.5	20%	0.203	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	109.7	-177.4	-174.3	0	0	0	0	110.8	Y458 L478 L708	Y458-S744 PolarHBondContact OH-N 3.07Å; L478-S744 WeakPolarHBondContact CD2-O 3.37Å; L708-S744 VanDerWaalsContact CD1-CB 3.49Å; L708-S744 WeakPolarHBondContact CD1-OG 3.26Å
745	I	93.5	Very high	94.1	Very high	24 Å²	24	30 Å²	30	12%	0.123	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-52.5	-176.5	-58.4	168.6	0	0	0	109.8	I483 P484 W724 A736 W737 R738 A743	I483-I745 HydrophobicContact CG2-CD1 3.99Å; I483-I745 HydrophobicContact CG2-CG1 4.21Å; I483-I745 HydrophobicContact CG2-CG2 4.01Å; P484-I745 HydrophobicContact CB-CG2 4.27Å; P484-I745 WeakPolarHBondContact O-CG2 3.29Å; W724-I745 HydrophobicContact CB-CD1 3.55Å; W724-I745 HydrophobicContact CG-CD1 4.34Å; A736-I745 HydrophobicContact CB-CB 4.33Å; A736-I745 PolarHBondContact O-N 3.41Å; W737-I745 VanDerWaalsContact C-CD1 3.5Å; R738-I745 HydrophobicContact CB-CD1 4.19Å; R738-I745 HydrophobicContact CB-CG1 4.22Å; A743-I745 PolarHBondContact O-N 3.22Å
746	F	94	Very high	94.1	Very high	22 Å²	22	30.3 Å²	30.3	10%	0.096	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	161.9	171.2	66.6	-101.1	0	0	0	110.6	P484 A487 L734 A736 I766	P484-F746 HydrophobicContact CB-CD1 4.1Å; P484-F746 HydrophobicContact CB-CE1 3.83Å; P484-F746 HydrophobicContact CG-CE1 4.28Å; A487-F746 HydrophobicContact CB-CD2 4.15Å; A487-F746 HydrophobicContact CB-CE1 4.17Å; A487-F746 HydrophobicContact CB-CE2 3.56Å; A487-F746 HydrophobicContact CB-CZ 3.57Å; L734-F746 HydrophobicContact CD2-CE2 4.44Å; A736-F746 HydrophobicContact CB-CD1 3.63Å; A736-F746 HydrophobicContact CB-CD2 3.91Å; A736-F746 HydrophobicContact CB-CE1 3.4Å; A736-F746 HydrophobicContact CB-CE2 3.68Å; A736-F746 HydrophobicContact CB-CG 3.87Å; A736-F746 HydrophobicContact CB-CZ 3.41Å; A736-F746 VanDerWaalsContact CB-CZ 3.41Å; A736-F746 PolarHBondContact N-O 2.86Å; F746-I766 HydrophobicContact CZ-CD1 3.78Å
747	Q	94.1	Very high	94.1	Very high	106 Å²	106	30.9 Å²	30.9	50%	0.495	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.3	172.5	177.5	174.7	91.1	0	0	108.4	L733 L734 N735	L733-Q747 HydrophobicContact CD2-CG 4.07Å; L734-Q747 WeakPolarHBondContact O-CA 3.41Å; N735-Q747 WeakPolarHBondContact OD1-CG 3.47Å; N735-Q747 PolarHBondContact OD1-NE2 3.43Å
748	S	94.8	Very high	94.2	Very high	28 Å²	28	31.1 Å²	31.1	20%	0.196	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133.6	169.6	-164	0	0	0	0	108.6	L734 Y778	L734-S748 PolarHBondContact N-O 2.86Å; L734-S748 PolarHBondContact O-N 3.31Å; S748-Y778 PolarHBondContact OG-OH 3Å
749	K	94.3	Very high	94.2	Very high	134 Å²	134	29.8 Å²	29.8	58%	0.583	16%	0.164	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105	112.6	175.2	-173.2	156.2	-169.7	152.9	0	109	L733	L733-K749 HydrophobicContact CD2-CB 3.95Å; L733-K749 HydrophobicContact CD2-CD 3.93Å; L733-K749 HydrophobicContact CD2-CG 3.97Å
750	E	94.1	Very high	94.3	Very high	14 Å²	14	29.3 Å²	29.3	7%	0.065	16%	0.161	C	C	.	.			trans	-78.3	170.1	168.9	-68	-157.4	-122.3	0	0	110.3	N732 S752 V754 T768 T776 Y778	N732-E750 VanDerWaalsContact CB-O 3.26Å; N732-E750 WeakPolarHBondContact CB-O 3.39Å; N732-E750 PolarHBondContact O-N 3.23Å; E750-S752 VanDerWaalsContact C-N 3.31Å; E750-S752 PolarHBondContact O-N 3.47Å; E750-V754 HydrophobicContact CB-CG2 3.82Å; E750-V754 HydrophobicContact CG-CG2 3.94Å; E750-V754 WeakPolarHBondContact OE1-CG2 3.33Å; E750-T768 VanDerWaalsContact OE1-CB 3.28Å; E750-T768 WeakPolarHBondContact OE1-CB 3.37Å; E750-T768 PolarHBondContact OE1-OG1 2.93Å; E750-T776 PolarHBondContact OE2-OG1 3Å; E750-Y778 WeakPolarHBondContact CG-OH 3.36Å
751	S	92.2	Very high	94.3	Very high	79 Å²	79	30.1 Å²	30.1	55%	0.552	17%	0.17	S	C	*	.	S	Bend	trans	-78.4	-12.4	-179.5	45.8	0	0	0	0	114.1	D772 K774	S751-D772 WeakPolarHBondContact CB-OD2 3.37Å; S751-D772 PolarHBondContact OG-OD2 3.17Å; S751-K774 PolarHBondContact OG-NZ 3.32Å
752	S	95.3	Very high	94.4	Very high	26 Å²	26	32 Å²	32	18%	0.182	18%	0.181	C	C	.	.	S	Bend	trans	-159.6	166.7	-175.9	-173.8	0	0	0	0	111.1	N732 E750 S770 D772	N732-S752 VanDerWaalsContact CG-CA 3.45Å; N732-S752 WeakPolarHBondContact OD1-CA 3.35Å; E750-S752 VanDerWaalsContact C-N 3.31Å; E750-S752 PolarHBondContact O-N 3.47Å; S752-S770 PolarHBondContact O-OG 2.88Å; S752-D772 WeakPolarHBondContact CB-OD1 3.31Å; S752-D772 WeakPolarHBondContact CB-OD2 3.4Å; S752-D772 PolarHBondContact OG-OD1 3.05Å
753	S	95.2	Very high	94.6	Very high	30 Å²	30	32.6 Å²	32.6	21%	0.21	18%	0.184	C	C	.	.			trans	-52.5	135.6	-169.1	-56.8	0	0	0	0	112.5	K730 N732 S770 G771	K730-S753 WeakPolarHBondContact O-CB 3.33Å; K730-S753 PolarHBondContact O-OG 3.21Å; N732-S753 WeakPolarHBondContact OD1-CA 3.46Å; N732-S753 PolarHBondContact OD1-N 2.99Å; S753-S770 CarbonylContact O-C 3.44Å; S753-S770 WeakPolarHBondContact O-CA 3.34Å; S753-G771 PolarHBondContact O-N 3.2Å
754	V	96.3	Very high	94.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	103.6	-174.3	-173.3	0	0	0	0	109.5	T728 G729 E750 T768 G769	T728-V754 VanDerWaalsContact CB-O 3.32Å; T728-V754 WeakPolarHBondContact CB-O 3.23Å; T728-V754 HydrophobicContact CG2-CB 4.41Å; T728-V754 HydrophobicContact CG2-CG1 3.67Å; T728-V754 PolarHBondContact OG1-O 2.75Å; G729-V754 PolarHBondContact O-N 2.8Å; E750-V754 HydrophobicContact CB-CG2 3.82Å; E750-V754 HydrophobicContact CG-CG2 3.94Å; E750-V754 WeakPolarHBondContact OE1-CG2 3.33Å; V754-T768 HydrophobicContact CG1-CG2 3.92Å; V754-G769 CarbonylContact C-O 3.6Å
755	L	96	Very high	94.6	Very high	52 Å²	52	38.9 Å²	38.9	27%	0.272	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	-32.6	-163.9	-71.6	149	0	0	0	114	V498 L714 G769	V498-L755 HydrophobicContact CG1-CD1 3.3Å; L714-L755 HydrophobicContact CD1-CD2 4Å; L714-L755 HydrophobicContact CD1-CG 4.31Å; L755-G769 PolarHBondContact N-O 2.93Å
756	S	96.2	Very high	94.8	Very high	8 Å²	8	37.8 Å²	37.8	6%	0.056	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	151.4	-175	56.2	0	0	0	0	111	V499 C500 T768 G769	V499-S756 PolarHBondContact O-OG 2.98Å; C500-S756 WeakPolarHBondContact O-CB 3.41Å; S756-T768 CarbonylContact O-C 3.57Å; S756-T768 WeakPolarHBondContact O-CA 3.47Å; S756-G769 PolarHBondContact N-O 3.04Å; S756-G769 PolarHBondContact O-N 3.43Å
757	C	96.8	Very high	94.9	Very high	11 Å²	11	36.8 Å²	36.8	7%	0.074	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	153.8	172.1	65.2	0	0	0	0	112.2	S715 V726 T728 V767	S715-C757 PolarHBondContact OG-N 2.94Å; S715-C757 PolarHBondContact OG-SG 3.27Å; V726-C757 HydrophobicContact CG2-CB 4.29Å; T728-C757 HydrophobicContact CG2-CB 3.77Å; C757-V767 CarbonylContact C-O 3.57Å; C757-V767 VanDerWaalsContact CA-O 3.24Å; C757-V767 WeakPolarHBondContact CA-O 3.39Å
758	D	97	Very high	95.1	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.032	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	156.1	164	-157.6	10.9	0	0	0	110	V502 T503 I504 K717 I766 V767	V502-D758 HydrophobicContact CG2-CB 4.23Å; T503-D758 WeakPolarHBondContact CA-OD2 3.46Å; T503-D758 WeakPolarHBondContact CB-OD2 3.5Å; T503-D758 PolarHBondContact OG1-OD2 2.97Å; I504-D758 PolarHBondContact N-OD2 3.21Å; K717-D758 IonicContact NZ-OD1 3.16Å; K717-D758 PolarHBondContact NZ-OD1 2.89Å; D758-I766 WeakPolarHBondContact O-CA 3.32Å; D758-V767 PolarHBondContact N-O 3.21Å; D758-V767 PolarHBondContact O-N 3.18Å
759	I	96.3	Very high	95.2	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	144	179.4	-58.3	-178.6	0	0	0	107.5	K717 A719 Y720 W724 V726 Y765 I766	K717-I759 HydrophobicContact CB-CD1 4.34Å; K717-I759 HydrophobicContact CB-CG1 4.3Å; K717-I759 HydrophobicContact CG-CB 4.11Å; K717-I759 HydrophobicContact CG-CD1 4Å; K717-I759 HydrophobicContact CG-CG1 3.76Å; K717-I759 PolarHBondContact NZ-O 2.97Å; A719-I759 HydrophobicContact CB-CD1 4.47Å; Y720-I759 WeakPolarHBondContact CE2-O 3.21Å; W724-I759 HydrophobicContact CH2-CD1 4.13Å; W724-I759 HydrophobicContact CZ3-CD1 4.17Å; V726-I759 HydrophobicContact CG1-CD1 4.25Å; V726-I759 HydrophobicContact CG2-CD1 4.11Å; V726-I759 HydrophobicContact CG2-CG1 4.48Å; I759-Y765 CarbonylContact C-O 3.37Å; I759-Y765 WeakPolarHBondContact CA-O 3.48Å; I759-I766 HydrophobicContact CG1-CG1 4.27Å
760	S	94.7	Very high	95.2	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.136	C	C	.	.			trans	-69.2	152	175.6	59.6	0	0	0	0	113.2	Y720 D762 D763 K764 Y765	Y720-S760 WeakPolarHBondContact CD2-O 3.35Å; Y720-S760 WeakPolarHBondContact CE2-O 3.39Å; S760-D762 WeakPolarHBondContact CB-OD1 3.31Å; S760-D762 PolarHBondContact O-N 3.47Å; S760-D762 PolarHBondContact OG-OD1 2.9Å; S760-D763 PolarHBondContact O-N 3.34Å; S760-K764 PolarHBondContact OG-N 3.43Å; S760-K764 VanDerWaalsContact OG-N 3.14Å; S760-Y765 PolarHBondContact N-O 2.93Å; S760-Y765 PolarHBondContact OG-N 2.89Å
761	A	91.4	Very high	95.2	Very high	40 Å²	40	24.4 Å²	24.4	33%	0.331	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-9.2	178.7	0	0	0	0	0	114.8	N506	N506-A761 HydrophobicContact CB-CB 4.28Å
762	D	92.2	Very high	95.3	Very high	61 Å²	61	23.9 Å²	23.9	33%	0.326	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	10	175.1	74	-22.7	0	0	0	113.3	S760 K764	S760-D762 WeakPolarHBondContact CB-OD1 3.31Å; S760-D762 PolarHBondContact O-N 3.47Å; S760-D762 PolarHBondContact OG-OD1 2.9Å; D762-K764 PolarHBondContact O-N 3.4Å; D762-K764 PolarHBondContact OD1-N 3.33Å; D762-K764 WeakPolarHBondContact OD2-CG 3.36Å; D762-K764 IonicContact OD2-NZ 2.69Å; D762-K764 PolarHBondContact OD2-NZ 2.96Å
763	D	94.6	Very high	95.3	Very high	13 Å²	13	26.6 Å²	26.6	7%	0.07	14%	0.144	C	C	.	.	S	Bend	trans	53.5	18.7	-178.4	-63.5	-30.1	0	0	0	115.7	A719 Y720 C721 W724 S760 Y782	A719-D763 WeakPolarHBondContact CA-OD1 3.43Å; A719-D763 WeakPolarHBondContact CB-OD1 3.33Å; Y720-D763 WeakPolarHBondContact CD2-OD1 3.43Å; Y720-D763 PolarHBondContact N-OD1 3.49Å; Y720-D763 PolarHBondContact N-OD2 3.28Å; C721-D763 WeakPolarHBondContact CB-OD2 3.26Å; C721-D763 PolarHBondContact N-OD2 3.1Å; C721-D763 PolarHBondContact SG-OD2 3.44Å; W724-D763 HydrophobicContact CZ2-CB 4.3Å; S760-D763 PolarHBondContact O-N 3.34Å; D763-Y782 VanDerWaalsContact CB-OH 3.3Å; D763-Y782 WeakPolarHBondContact CB-OH 3.31Å; D763-Y782 WeakPolarHBondContact O-CE2 3.34Å; D763-Y782 PolarHBondContact O-OH 2.85Å
764	K	93.4	Very high	95.2	Very high	106 Å²	106	26.9 Å²	26.9	46%	0.461	14%	0.141	S	C	.	.	S	Bend	trans	-89.2	-19.7	178.8	-65.9	-158.5	-158.2	82.6	0	115.2	S760 D762 V780	S760-K764 PolarHBondContact OG-N 3.43Å; S760-K764 VanDerWaalsContact OG-N 3.14Å; D762-K764 PolarHBondContact O-N 3.4Å; D762-K764 PolarHBondContact OD1-N 3.33Å; D762-K764 WeakPolarHBondContact OD2-CG 3.36Å; D762-K764 IonicContact OD2-NZ 2.69Å; D762-K764 PolarHBondContact OD2-NZ 2.96Å; K764-V780 PolarHBondContact O-N 3.41Å
765	Y	95.3	Very high	95.2	Very high	56 Å²	56	26.9 Å²	26.9	22%	0.22	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	139.3	-177.2	-59.9	-76	0	0	0	111.8	I490 T508 I759 S760 Y778 E779	I490-Y765 HydrophobicContact CD1-CD1 4.12Å; I490-Y765 HydrophobicContact CD1-CE1 3.79Å; T508-Y765 HydrophobicContact CG2-CD2 4.07Å; I759-Y765 CarbonylContact C-O 3.37Å; I759-Y765 WeakPolarHBondContact CA-O 3.48Å; S760-Y765 PolarHBondContact N-O 2.93Å; S760-Y765 PolarHBondContact OG-N 2.89Å; Y765-Y778 VanDerWaalsContact CA-O 3.28Å; Y765-Y778 WeakPolarHBondContact CA-O 3.38Å; Y765-E779 HydrophobicContact CD1-CB 4.39Å; Y765-E779 HydrophobicContact CE1-CB 4.25Å; Y765-E779 HydrophobicContact CE1-CG 4.2Å
766	I	96.9	Very high	95.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.6	167.8	-56.1	159.2	0	0	0	107	W724 V726 L734 F746 D758 I759 T768 Y778 V780	W724-I766 HydrophobicContact CH2-CD1 3.94Å; W724-I766 HydrophobicContact CH2-CG1 4.17Å; W724-I766 HydrophobicContact CZ3-CD1 4.03Å; V726-I766 HydrophobicContact CG1-CD1 4.13Å; L734-I766 HydrophobicContact CD2-CG2 4.49Å; F746-I766 HydrophobicContact CZ-CD1 3.78Å; D758-I766 WeakPolarHBondContact O-CA 3.32Å; I759-I766 HydrophobicContact CG1-CG1 4.27Å; I766-T768 HydrophobicContact CG2-CG2 4.32Å; I766-Y778 PolarHBondContact N-O 2.96Å; I766-Y778 PolarHBondContact O-N 3.28Å; I766-V780 HydrophobicContact CD1-CG2 3.73Å; I766-V780 HydrophobicContact CG1-CG2 3.69Å
767	V	96.6	Very high	95.1	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.9	170	-174.9	0	0	0	0	108.1	V502 I504 V511 C757 D758 T776 V777	V502-V767 HydrophobicContact CB-CG1 3.93Å; V502-V767 HydrophobicContact CG1-CG1 4Å; V502-V767 HydrophobicContact CG2-CB 4.44Å; V502-V767 HydrophobicContact CG2-CG1 4.22Å; I504-V767 HydrophobicContact CB-CG2 4.37Å; I504-V767 HydrophobicContact CD1-CG2 4.14Å; V511-V767 HydrophobicContact CG1-CG1 3.76Å; V511-V767 HydrophobicContact CG1-CG2 4.16Å; V511-V767 HydrophobicContact CG2-CG2 3.88Å; C757-V767 CarbonylContact C-O 3.57Å; C757-V767 VanDerWaalsContact CA-O 3.24Å; C757-V767 WeakPolarHBondContact CA-O 3.39Å; D758-V767 PolarHBondContact N-O 3.21Å; D758-V767 PolarHBondContact O-N 3.18Å; V767-T776 WeakPolarHBondContact CA-O 3.43Å; V767-V777 HydrophobicContact CG2-CG1 4.48Å; V767-V777 HydrophobicContact CG2-CG2 4.43Å
768	T	97.3	Very high	95.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	146	172.6	57.3	0	0	0	0	111.3	T728 L734 E750 V754 S756 I766 A775 T776 Y778	T728-T768 HydrophobicContact CG2-CG2 4.48Å; L734-T768 HydrophobicContact CD1-CG2 4.16Å; L734-T768 HydrophobicContact CD2-CG2 4.06Å; E750-T768 VanDerWaalsContact OE1-CB 3.28Å; E750-T768 WeakPolarHBondContact OE1-CB 3.37Å; E750-T768 PolarHBondContact OE1-OG1 2.93Å; V754-T768 HydrophobicContact CG1-CG2 3.92Å; S756-T768 CarbonylContact O-C 3.57Å; S756-T768 WeakPolarHBondContact O-CA 3.47Å; I766-T768 HydrophobicContact CG2-CG2 4.32Å; T768-A775 CarbonylContact O-C 3.56Å; T768-A775 WeakPolarHBondContact O-CA 3.33Å; T768-A775 WeakPolarHBondContact O-CB 3.29Å; T768-T776 PolarHBondContact N-O 3.44Å; T768-T776 PolarHBondContact O-N 3.28Å; T768-T776 WeakPolarHBondContact OG1-CB 3.44Å; T768-Y778 HydrophobicContact CG2-CE2 4.22Å
769	G	96.6	Very high	95	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128.9	170	0	0	0	0	0	110.8	V499 V754 L755 S756	V499-G769 CarbonylContact O-C 3.54Å; V754-G769 CarbonylContact C-O 3.6Å; L755-G769 PolarHBondContact N-O 2.93Å; S756-G769 PolarHBondContact N-O 3.04Å; S756-G769 PolarHBondContact O-N 3.43Å
770	S	95.6	Very high	94.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	151.1	-171.8	-178.1	0	0	0	0	113	S752 S753 D772 K773 K774	S752-S770 PolarHBondContact O-OG 2.88Å; S753-S770 CarbonylContact O-C 3.44Å; S753-S770 WeakPolarHBondContact O-CA 3.34Å; S770-D772 PolarHBondContact O-N 3.5Å; S770-D772 PolarHBondContact OG-N 3.15Å; S770-K773 PolarHBondContact O-N 2.98Å; S770-K774 PolarHBondContact N-O 3.43Å
771	G	93.5	Very high	94.9	Very high	23 Å²	23	28 Å²	28	24%	0.237	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-25.2	169	0	0	0	0	0	113.6	S753 K773	S753-G771 PolarHBondContact O-N 3.2Å; G771-K773 PolarHBondContact O-N 3.23Å
772	D	94.1	Very high	94.9	Very high	68 Å²	68	30.6 Å²	30.6	36%	0.364	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	27.1	173.5	-82	-8.1	0	0	0	114.2	S751 S752 S770 K774	S751-D772 WeakPolarHBondContact CB-OD2 3.37Å; S751-D772 PolarHBondContact OG-OD2 3.17Å; S752-D772 WeakPolarHBondContact CB-OD1 3.31Å; S752-D772 WeakPolarHBondContact CB-OD2 3.4Å; S752-D772 PolarHBondContact OG-OD1 3.05Å; S770-D772 PolarHBondContact O-N 3.5Å; S770-D772 PolarHBondContact OG-N 3.15Å; D772-K774 HydrophobicContact CB-CD 3.78Å; D772-K774 HydrophobicContact CB-CG 4.05Å; D772-K774 PolarHBondContact O-N 3.15Å; D772-K774 VanDerWaalsContact O-N 3.08Å; D772-K774 IonicContact OD2-NZ 3.59Å; D772-K774 PolarHBondContact OD2-NZ 3.17Å
773	K	94.8	Very high	95	Very high	83 Å²	83	29.1 Å²	29.1	36%	0.361	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	30.7	174	-65.5	171.8	152	-106	0	113.5	H495 G496 E497 V498 S770 G771	H495-K773 PolarHBondContact N-O 3.47Å; G496-K773 PolarHBondContact N-O 3.43Å; G496-K773 WeakPolarHBondContact O-CD 3.3Å; G496-K773 PolarHBondContact O-NZ 2.83Å; E497-K773 CarbonylContact O-C 3.53Å; E497-K773 VanDerWaalsContact O-CA 3.27Å; E497-K773 WeakPolarHBondContact O-CA 3.43Å; E497-K773 IonicContact OE1-NZ 3.41Å; E497-K773 PolarHBondContact OE1-NZ 2.83Å; E497-K773 IonicContact OE2-NZ 2.88Å; E497-K773 PolarHBondContact OE2-NZ 3.37Å; V498-K773 HydrophobicContact CG2-CG 4.18Å; S770-K773 PolarHBondContact O-N 2.98Å; G771-K773 PolarHBondContact O-N 3.23Å
774	K	94.6	Very high	95	Very high	36 Å²	36	29.9 Å²	29.9	16%	0.157	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	161	-172.9	73	-168.5	-175.6	-154.6	0	111.2	T492 L493 V499 S751 S770 D772	T492-K774 HydrophobicContact CG2-CB 4.35Å; T492-K774 HydrophobicContact CG2-CD 4.05Å; L493-K774 CarbonylContact O-C 3.58Å; L493-K774 VanDerWaalsContact O-CA 3.3Å; L493-K774 WeakPolarHBondContact O-CA 3.07Å; V499-K774 WeakPolarHBondContact CG2-O 3.41Å; S751-K774 PolarHBondContact OG-NZ 3.32Å; S770-K774 PolarHBondContact N-O 3.43Å; D772-K774 HydrophobicContact CB-CD 3.78Å; D772-K774 HydrophobicContact CB-CG 4.05Å; D772-K774 PolarHBondContact O-N 3.15Å; D772-K774 VanDerWaalsContact O-N 3.08Å; D772-K774 IonicContact OD2-NZ 3.59Å; D772-K774 PolarHBondContact OD2-NZ 3.17Å
775	A	95.6	Very high	95.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	145.9	162.1	0	0	0	0	0	110.6	L493 V499 V502 T513 T768	L493-A775 HydrophobicContact CB-CB 4.22Å; L493-A775 HydrophobicContact CD1-CB 4.38Å; L493-A775 PolarHBondContact N-O 2.89Å; L493-A775 PolarHBondContact O-N 3.31Å; V499-A775 HydrophobicContact CG1-CB 4.35Å; V502-A775 HydrophobicContact CG1-CB 4.29Å; T513-A775 HydrophobicContact CG2-CB 3.58Å; T768-A775 CarbonylContact O-C 3.56Å; T768-A775 WeakPolarHBondContact O-CA 3.33Å; T768-A775 WeakPolarHBondContact O-CB 3.29Å
776	T	95	Very high	95.1	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.1	179.6	-53.4	0	0	0	0	109	Q489 E750 V767 T768 Y778	Q489-T776 HydrophobicContact CG-CG2 3.62Å; E750-T776 PolarHBondContact OE2-OG1 3Å; V767-T776 WeakPolarHBondContact CA-O 3.43Å; T768-T776 PolarHBondContact N-O 3.44Å; T768-T776 PolarHBondContact O-N 3.28Å; T768-T776 WeakPolarHBondContact OG1-CB 3.44Å; T776-Y778 HydrophobicContact CG2-CD2 4.02Å; T776-Y778 HydrophobicContact CG2-CE1 4.38Å; T776-Y778 HydrophobicContact CG2-CE2 3.43Å; T776-Y778 VanDerWaalsContact CG2-CE2 3.43Å
777	V	95.2	Very high	95	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.5	175.9	-172.9	0	0	0	0	108.8	I490 N491 L493 I524 V767	I490-V777 HydrophobicContact CD1-CG1 4.13Å; I490-V777 HydrophobicContact CG1-CB 4.32Å; I490-V777 HydrophobicContact CG1-CG1 4.1Å; I490-V777 VanDerWaalsContact CG1-O 3.32Å; I490-V777 WeakPolarHBondContact CG1-O 3.19Å; I490-V777 PolarHBondContact N-O 3.5Å; N491-V777 HydrophobicContact CB-CB 4.09Å; N491-V777 HydrophobicContact CB-CG2 4.2Å; N491-V777 PolarHBondContact N-O 2.85Å; N491-V777 PolarHBondContact O-N 3.11Å; L493-V777 HydrophobicContact CD1-CG2 3.78Å; L493-V777 HydrophobicContact CG-CG2 4.14Å; I524-V777 HydrophobicContact CG2-CG2 4.26Å; V767-V777 HydrophobicContact CG2-CG1 4.48Å; V767-V777 HydrophobicContact CG2-CG2 4.43Å
778	Y	95.4	Very high	94.9	Very high	4 Å²	4	27 Å²	27	2%	0.016	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	140.3	176	-61.2	-97.1	0	0	0	110.7	A487 R488 Q489 L734 S748 E750 Y765 I766 T768 T776	A487-Y778 HydrophobicContact CB-CD1 4.05Å; A487-Y778 HydrophobicContact CB-CG 4.39Å; R488-Y778 CarbonylContact O-C 3.59Å; R488-Y778 VanDerWaalsContact O-CA 3.29Å; R488-Y778 WeakPolarHBondContact O-CA 3.49Å; Q489-Y778 HydrophobicContact CB-CD1 4.03Å; Q489-Y778 HydrophobicContact CB-CE1 3.95Å; L734-Y778 HydrophobicContact CD2-CD2 4.19Å; L734-Y778 HydrophobicContact CD2-CE2 3.95Å; S748-Y778 PolarHBondContact OG-OH 3Å; E750-Y778 WeakPolarHBondContact CG-OH 3.36Å; Y765-Y778 VanDerWaalsContact CA-O 3.28Å; Y765-Y778 WeakPolarHBondContact CA-O 3.38Å; I766-Y778 PolarHBondContact N-O 2.96Å; I766-Y778 PolarHBondContact O-N 3.28Å; T768-Y778 HydrophobicContact CG2-CE2 4.22Å; T776-Y778 HydrophobicContact CG2-CD2 4.02Å; T776-Y778 HydrophobicContact CG2-CE1 4.38Å; T776-Y778 HydrophobicContact CG2-CE2 3.43Å; T776-Y778 VanDerWaalsContact CG2-CE2 3.43Å
779	E	95.1	Very high	94.7	Very high	48 Å²	48	28.9 Å²	28.9	22%	0.224	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130.3	167.1	-176	-173.8	-160.5	0	0	109	A487 R488 I490 Y765 I781	A487-E779 CarbonylContact C-O 3.44Å; A487-E779 WeakPolarHBondContact CA-O 3.48Å; R488-E779 IonicContact CZ-OE2 3.32Å; R488-E779 PolarHBondContact N-O 3.49Å; R488-E779 IonicContact NE-OE2 3.97Å; R488-E779 PolarHBondContact NE-OE2 3.3Å; R488-E779 IonicContact NH2-OE1 3.92Å; R488-E779 IonicContact NH2-OE2 2.91Å; R488-E779 PolarHBondContact NH2-OE2 3.26Å; R488-E779 PolarHBondContact O-N 2.96Å; I490-E779 HydrophobicContact CD1-CB 4.27Å; I490-E779 HydrophobicContact CG1-CB 4.44Å; I490-E779 HydrophobicContact CG2-CB 3.93Å; Y765-E779 HydrophobicContact CD1-CB 4.39Å; Y765-E779 HydrophobicContact CE1-CB 4.25Å; Y765-E779 HydrophobicContact CE1-CG 4.2Å; E779-I781 HydrophobicContact CG-CD1 3.88Å
780	V	95.3	Very high	94.6	Very high	8 Å²	8	31.2 Å²	31.2	5%	0.048	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	113.6	-176.5	-174.2	0	0	0	0	109	P484 W724 K764 I766 Y782	P484-V780 HydrophobicContact CB-CG1 3.66Å; P484-V780 HydrophobicContact CG-CG1 3.53Å; W724-V780 HydrophobicContact CH2-CG1 4.21Å; W724-V780 HydrophobicContact CH2-CG2 4.19Å; W724-V780 HydrophobicContact CZ2-CG1 4.12Å; K764-V780 PolarHBondContact O-N 3.41Å; I766-V780 HydrophobicContact CD1-CG2 3.73Å; I766-V780 HydrophobicContact CG1-CG2 3.69Å; V780-Y782 HydrophobicContact CB-CE2 4.07Å; V780-Y782 HydrophobicContact CG1-CD2 4.31Å; V780-Y782 HydrophobicContact CG1-CE1 4.31Å; V780-Y782 HydrophobicContact CG1-CE2 3.63Å
781	I	93.8	Very high	94.5	Very high	39 Å²	39	33.8 Å²	33.8	20%	0.2	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	108.9	-177.4	-51.4	-57.1	0	0	0	109.3	R485 H486 R488 E779	R485-I781 PolarHBondContact N-O 2.89Å; H486-I781 PolarHBondContact N-O 2.92Å; H486-I781 PolarHBondContact O-N 3.4Å; R488-I781 HydrophobicContact CB-CG1 4.34Å; E779-I781 HydrophobicContact CG-CD1 3.88Å
782	Y	91.6	Very high	94.6	Very high	95 Å²	95	34.7 Å²	34.7	37%	0.373	16%	0.159	S	C	.	.			trans	-84	0	172.1	-64.2	-82	0	0	0	112.2	P484 R485 W724 D763 V780	P484-Y782 HydrophobicContact CG-CE1 3.85Å; R485-Y782 VanDerWaalsContact NE-C 3.3Å; R485-Y782 PolarHBondContact NE-O 3.13Å; R485-Y782 PolarHBondContact NE-OXT 3.28Å; R485-Y782 PolarHBondContact NH2-O 3.03Å; R485-Y782 PolarHBondContact NH2-OXT 2.88Å; W724-Y782 VanDerWaalsContact CZ2-OH 3.29Å; W724-Y782 WeakPolarHBondContact CZ2-OH 3.42Å; W724-Y782 PolarHBondContact NE1-OH 3.1Å; D763-Y782 VanDerWaalsContact CB-OH 3.3Å; D763-Y782 WeakPolarHBondContact CB-OH 3.31Å; D763-Y782 WeakPolarHBondContact O-CE2 3.34Å; D763-Y782 PolarHBondContact O-OH 2.85Å; V780-Y782 HydrophobicContact CB-CE2 4.07Å; V780-Y782 HydrophobicContact CG1-CD2 4.31Å; V780-Y782 HydrophobicContact CG1-CE1 4.31Å; V780-Y782 HydrophobicContact CG1-CE2 3.63Å

Retrieved 782 of 782 residues in 419.4 ms (Link to these results)

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