A0A087Y0C7_POEFO Loading...

Transducin-like enhancer protein 4

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 A0A087Y0C7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 774 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.9	Very low	37.4	Very low	240 Å²	240	158.9 Å²	158.9	100%	1.182	83%	0.83	S	S	*	*				0	97.5	0	-173	174	-173.6	0	0	106.7
2	Y	29.8	Very low	37.8	Very low	228 Å²	228	156.3 Å²	156.3	89%	0.894	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-87.6	141	-174	-77.4	-87.2	0	0	0	111.2
3	P	43.7	Very low	37.5	Very low	115 Å²	115	157.8 Å²	157.8	75%	0.747	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-73.6	145	169.7	31.6	-33.6	0	0	0	110.7
4	P	45.3	Very low	37.2	Very low	119 Å²	119	159.9 Å²	159.9	77%	0.773	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-79.1	137.2	-179	31.4	-34.3	0	0	0	112	R6	P4-R6 PolarHBondContact O-N 3.22Å
5	A	34.1	Very low	37.4	Very low	94 Å²	94	158.2 Å²	158.2	78%	0.777	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-67.2	126.9	168.4	0	0	0	0	0	110.3
6	R	37.8	Very low	37.9	Very low	240 Å²	240	152.3 Å²	152.3	91%	0.906	82%	0.823	S	S	*	*			trans	-84.8	113.2	171.3	-77	-177.8	171.4	176.8	-2.9	109.5	P4	P4-R6 PolarHBondContact O-N 3.22Å
7	H	37	Very low	38	Very low	176 Å²	176	152.6 Å²	152.6	82%	0.815	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-65.3	132.8	160.8	-74	-91.3	0	0	0	109.8
8	P	39.9	Very low	38.4	Very low	121 Å²	121	150.2 Å²	150.2	79%	0.786	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-65.1	147.9	157	-15.7	31.2	0	0	0	109.9
9	V	38.9	Very low	38.7	Very low	130 Å²	130	152 Å²	152	79%	0.788	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-81.9	127.6	175.6	176.1	0	0	0	0	109.3
10	E	32	Very low	39.1	Very low	190 Å²	190	154 Å²	154	89%	0.888	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-84	131	174.9	-161.5	167.2	-139	0	0	110.4
11	V	36.7	Very low	39.7	Very low	95 Å²	95	152.4 Å²	152.4	58%	0.576	80%	0.8	S	S	*	*			trans	-117.1	129.3	-179.9	178.7	0	0	0	0	107.9	H13	V11-H13 PolarHBondContact O-CD2 3.34Å; V11-H13 PolarHBondContact O-N 2.76Å
12	P	42	Very low	41.1	Very low	128 Å²	128	144 Å²	144	83%	0.831	76%	0.762	S	S	*	*			trans	-73	118.5	-168.9	27.7	-35	0	0	0	112.2
13	H	34.3	Very low	43	Very low	175 Å²	175	139.2 Å²	139.2	81%	0.81	76%	0.756	S	S	*	*			trans	-104.2	143.6	173.5	-81.6	-80.8	0	0	0	112.4	V11	V11-H13 PolarHBondContact O-CD2 3.34Å; V11-H13 PolarHBondContact O-N 2.76Å
14	Q	33.3	Very low	44.4	Very low	187 Å²	187	138.1 Å²	138.1	87%	0.874	75%	0.748	S	S	*	*			trans	-74.8	152.7	-176.1	-70.7	180	-14	0	0	113	G16	Q14-G16 PolarHBondContact O-N 2.82Å
15	P	40.8	Very low	45.9	Very low	135 Å²	135	137.3 Å²	137.3	88%	0.877	73%	0.733	S	S	*	*	S	Bend	trans	-75.6	119.5	177.7	30.6	-33.8	0	0	0	111.2
16	G	44.5	Very low	47.9	Very low	63 Å²	63	135.1 Å²	135.1	65%	0.649	71%	0.712	S	S	*	*			trans	169.1	29.4	177.3	0	0	0	0	0	120.8	Q14	Q14-G16 PolarHBondContact O-N 2.82Å
17	Q	40.9	Very low	49.7	Very low	159 Å²	159	127.4 Å²	127.4	74%	0.743	69%	0.694	S	S	*	*			trans	-143.2	137.8	164.5	-80	-57.8	-65.4	0	0	112.2	F19	Q17-F19 PolarHBondContact O-N 3.1Å
18	P	44.7	Very low	52	Low	109 Å²	109	122.8 Å²	122.8	71%	0.708	68%	0.675	S	S	*	*			trans	-81.1	94	173.7	32.7	-31.9	0	0	0	110.2	K20	P18-K20 PolarHBondContact O-N 2.85Å
19	F	43.6	Very low	54.1	Low	184 Å²	184	124.3 Å²	124.3	81%	0.807	67%	0.665	S	S	*	*			trans	-64.1	92.6	173.6	-85.1	-87.7	0	0	0	111.3	Q17 F21	Q17-F19 PolarHBondContact O-N 3.1Å; F19-F21 PolarHBondContact O-N 2.73Å
20	K	46.4	Very low	56.3	Low	192 Å²	192	123.8 Å²	123.8	84%	0.835	66%	0.657	S	S	*	*			trans	-72	82.5	159.7	-72.9	-174.7	177	-178.9	0	108.6	P18 T22	P18-K20 PolarHBondContact O-N 2.85Å; K20-T22 PolarHBondContact O-N 3.14Å; K20-T22 VanDerWaalsContact O-N 3.1Å
21	F	52.8	Low	59	Low	121 Å²	121	120.6 Å²	120.6	53%	0.531	64%	0.64	S	S	.	*			trans	-50.4	118.1	159	-110.2	-81.8	0	0	0	107.7	F19 E25	F19-F21 PolarHBondContact O-N 2.73Å; F21-E25 HydrophobicContact CD1-CB 4.02Å; F21-E25 HydrophobicContact CE1-CB 4.23Å
22	T	64.6	Low	61.5	Low	63 Å²	63	122.6 Å²	122.6	39%	0.387	64%	0.643	S	S	.	*			trans	-74.1	142.3	175.6	66.3	0	0	0	0	108.5	K20 T24 E25 S26	K20-T22 PolarHBondContact O-N 3.14Å; K20-T22 VanDerWaalsContact O-N 3.1Å; T22-T24 VanDerWaalsContact CB-OG1 3.28Å; T22-T24 WeakPolarHBondContact CB-OG1 3.35Å; T22-T24 PolarHBondContact O-N 3.02Å; T22-T24 PolarHBondContact OG1-OG1 3.19Å; T22-E25 VanDerWaalsContact CB-OE2 3.29Å; T22-E25 WeakPolarHBondContact CB-OE2 3.44Å; T22-E25 WeakPolarHBondContact CG2-OE2 3.18Å; T22-E25 PolarHBondContact N-OE2 2.76Å; T22-E25 PolarHBondContact O-N 2.63Å; T22-E25 VanDerWaalsContact OG1-CD 3.31Å; T22-E25 WeakPolarHBondContact OG1-CG 3.29Å; T22-E25 PolarHBondContact OG1-N 3.24Å; T22-E25 PolarHBondContact OG1-OE2 2.79Å; T22-S26 PolarHBondContact O-N 2.88Å
23	V	69.1	Low	63.7	Low	127 Å²	127	122 Å²	122	77%	0.77	63%	0.63	S	S	*	*	H	α-helix	trans	-57.4	-27.8	179.9	-179.2	0	0	0	0	111.1	C27	V23-C27 VanDerWaalsContact O-CB 3.23Å; V23-C27 WeakPolarHBondContact O-CB 3.33Å; V23-C27 PolarHBondContact O-N 2.89Å
24	T	73.9	Confident	66.3	Low	93 Å²	93	119.9 Å²	119.9	57%	0.571	62%	0.618	S	S	*	*	H	α-helix	trans	-57.1	-55.1	167.6	24.6	0	0	0	0	113.5	T22 S26 C27 D28	T22-T24 VanDerWaalsContact CB-OG1 3.28Å; T22-T24 WeakPolarHBondContact CB-OG1 3.35Å; T22-T24 PolarHBondContact O-N 3.02Å; T22-T24 PolarHBondContact OG1-OG1 3.19Å; T24-S26 VanDerWaalsContact C-N 3.31Å; T24-S26 PolarHBondContact O-N 2.97Å; T24-C27 WeakPolarHBondContact O-CB 3.5Å; T24-C27 PolarHBondContact O-N 3.49Å; T24-C27 VanDerWaalsContact O-N 3.08Å; T24-D28 PolarHBondContact O-N 3.39Å
25	E	77.1	Confident	69	Low	102 Å²	102	116.9 Å²	116.9	48%	0.477	60%	0.604	S	S	.	*	H	α-helix	trans	-60.9	-39.1	179.4	-70.4	159	117.5	0	0	112	F21 T22 R29	F21-E25 HydrophobicContact CD1-CB 4.02Å; F21-E25 HydrophobicContact CE1-CB 4.23Å; T22-E25 VanDerWaalsContact CB-OE2 3.29Å; T22-E25 WeakPolarHBondContact CB-OE2 3.44Å; T22-E25 WeakPolarHBondContact CG2-OE2 3.18Å; T22-E25 PolarHBondContact N-OE2 2.76Å; T22-E25 PolarHBondContact O-N 2.63Å; T22-E25 VanDerWaalsContact OG1-CD 3.31Å; T22-E25 WeakPolarHBondContact OG1-CG 3.29Å; T22-E25 PolarHBondContact OG1-N 3.24Å; T22-E25 PolarHBondContact OG1-OE2 2.79Å; E25-R29 VanDerWaalsContact O-CB 3.31Å; E25-R29 WeakPolarHBondContact O-CB 3.46Å; E25-R29 PolarHBondContact O-N 2.89Å
26	S	76.6	Confident	71.4	Confident	48 Å²	48	116.5 Å²	116.5	34%	0.336	59%	0.589	S	S	.	*	H	α-helix	trans	-64.6	-40.2	174.2	-54	0	0	0	0	112.2	T22 T24 I30	T22-S26 PolarHBondContact O-N 2.88Å; T24-S26 VanDerWaalsContact C-N 3.31Å; T24-S26 PolarHBondContact O-N 2.97Å; S26-I30 WeakPolarHBondContact O-CD1 3.39Å; S26-I30 VanDerWaalsContact O-CG1 3.27Å; S26-I30 WeakPolarHBondContact O-CG1 3.5Å; S26-I30 PolarHBondContact O-N 3.36Å
27	C	75.4	Confident	73.6	Confident	77 Å²	77	119 Å²	119	52%	0.52	59%	0.587	S	S	.	*	H	α-helix	trans	-69.3	-43.7	179.8	-167.2	0	0	0	0	112.1	V23 T24 I30 K31	V23-C27 VanDerWaalsContact O-CB 3.23Å; V23-C27 WeakPolarHBondContact O-CB 3.33Å; V23-C27 PolarHBondContact O-N 2.89Å; T24-C27 WeakPolarHBondContact O-CB 3.5Å; T24-C27 PolarHBondContact O-N 3.49Å; T24-C27 VanDerWaalsContact O-N 3.08Å; C27-I30 PolarHBondContact O-N 2.93Å; C27-K31 WeakPolarHBondContact O-CB 3.39Å; C27-K31 PolarHBondContact O-N 2.85Å; C27-K31 VanDerWaalsContact O-N 3.08Å
28	D	84.5	Confident	75.7	Confident	79 Å²	79	117 Å²	117	42%	0.422	58%	0.577	S	S	.	*	H	α-helix	trans	-68.6	-34.8	176.4	-73.5	-46.8	0	0	0	111.7	T24 K31 E32	T24-D28 PolarHBondContact O-N 3.39Å; D28-K31 VanDerWaalsContact O-CB 3.24Å; D28-K31 WeakPolarHBondContact O-CB 3.32Å; D28-K31 PolarHBondContact O-N 2.95Å; D28-K31 VanDerWaalsContact O-N 3.13Å; D28-K31 IonicContact OD1-NZ 2.64Å; D28-K31 PolarHBondContact OD1-NZ 3.27Å; D28-K31 VanDerWaalsContact OD1-NZ 3.17Å; D28-E32 PolarHBondContact O-N 2.83Å
29	R	83.6	Confident	78	Confident	153 Å²	153	114.6 Å²	114.6	58%	0.577	57%	0.567	S	S	*	*	H	α-helix	trans	-63.8	-42.1	172.2	-165.2	176.8	-172.1	-177.3	3.4	112.7	E25 K31 E32 E33	E25-R29 VanDerWaalsContact O-CB 3.31Å; E25-R29 WeakPolarHBondContact O-CB 3.46Å; E25-R29 PolarHBondContact O-N 2.89Å; R29-K31 PolarHBondContact O-N 2.88Å; R29-E32 PolarHBondContact O-N 2.87Å; R29-E33 WeakPolarHBondContact O-CG 3.36Å; R29-E33 PolarHBondContact O-N 3Å
30	I	85.8	Confident	80.2	Confident	119 Å²	119	110.6 Å²	110.6	61%	0.61	55%	0.551	S	S	*	*	H	α-helix	trans	-60.9	-33	173.3	-71.9	164.7	0	0	0	111.3	S26 C27 F34	S26-I30 WeakPolarHBondContact O-CD1 3.39Å; S26-I30 VanDerWaalsContact O-CG1 3.27Å; S26-I30 WeakPolarHBondContact O-CG1 3.5Å; S26-I30 PolarHBondContact O-N 3.36Å; C27-I30 PolarHBondContact O-N 2.93Å; I30-F34 VanDerWaalsContact O-CB 3.31Å; I30-F34 WeakPolarHBondContact O-CB 3.19Å; I30-F34 PolarHBondContact O-N 3.41Å
31	K	87.8	Confident	82.2	Confident	124 Å²	124	109 Å²	109	54%	0.539	54%	0.541	S	S	.	.	H	α-helix	trans	-73.8	-37.6	179.5	-159.9	-176.5	-173	-178.8	0	112.1	C27 D28 R29 Q35	C27-K31 WeakPolarHBondContact O-CB 3.39Å; C27-K31 PolarHBondContact O-N 2.85Å; C27-K31 VanDerWaalsContact O-N 3.08Å; D28-K31 VanDerWaalsContact O-CB 3.24Å; D28-K31 WeakPolarHBondContact O-CB 3.32Å; D28-K31 PolarHBondContact O-N 2.95Å; D28-K31 VanDerWaalsContact O-N 3.13Å; D28-K31 IonicContact OD1-NZ 2.64Å; D28-K31 PolarHBondContact OD1-NZ 3.27Å; D28-K31 VanDerWaalsContact OD1-NZ 3.17Å; R29-K31 PolarHBondContact O-N 2.88Å; K31-Q35 WeakPolarHBondContact O-CB 3.39Å; K31-Q35 WeakPolarHBondContact O-CG 3.36Å; K31-Q35 PolarHBondContact O-N 2.86Å
32	E	90.1	Very high	84.1	Confident	137 Å²	137	108.8 Å²	108.8	64%	0.64	54%	0.541	S	S	*	.	H	α-helix	trans	-65.7	-47.6	170.2	-70.7	-174.3	144.5	0	0	111.5	D28 R29 F34 Q35 F36	D28-E32 PolarHBondContact O-N 2.83Å; R29-E32 PolarHBondContact O-N 2.87Å; E32-F34 VanDerWaalsContact C-N 3.32Å; E32-F34 PolarHBondContact O-N 2.83Å; E32-Q35 PolarHBondContact O-N 3.37Å; E32-F36 WeakPolarHBondContact O-CB 3.46Å; E32-F36 PolarHBondContact O-N 2.78Å
33	E	86.9	Confident	85.5	Confident	116 Å²	116	109.2 Å²	109.2	54%	0.542	55%	0.547	S	S	.	.	H	α-helix	trans	-57.1	-43.4	174.1	-70.5	-71.1	165	0	0	111.6	R29 F36 L37	R29-E33 WeakPolarHBondContact O-CG 3.36Å; R29-E33 PolarHBondContact O-N 3Å; E33-F36 PolarHBondContact O-N 3.04Å; E33-L37 WeakPolarHBondContact O-CB 3.28Å; E33-L37 PolarHBondContact O-N 2.64Å
34	F	89.7	Confident	86.6	Confident	129 Å²	129	107.9 Å²	107.9	57%	0.566	54%	0.535	S	S	*	.	H	α-helix	trans	-64.6	-42.2	175.9	-176.9	-92.3	0	0	0	112.5	I30 E32 L37 Q38	I30-F34 VanDerWaalsContact O-CB 3.31Å; I30-F34 WeakPolarHBondContact O-CB 3.19Å; I30-F34 PolarHBondContact O-N 3.41Å; E32-F34 VanDerWaalsContact C-N 3.32Å; E32-F34 PolarHBondContact O-N 2.83Å; F34-L37 PolarHBondContact O-N 3.33Å; F34-Q38 VanDerWaalsContact O-CB 3.26Å; F34-Q38 WeakPolarHBondContact O-CB 3.42Å; F34-Q38 PolarHBondContact O-N 2.79Å
35	Q	89.4	Confident	87.5	Confident	125 Å²	125	107.6 Å²	107.6	58%	0.584	53%	0.525	S	S	*	.	H	α-helix	trans	-66.3	-38.6	175.5	-77.5	-175.6	-9.8	0	0	112.2	K31 E32 Q38 A39	K31-Q35 WeakPolarHBondContact O-CB 3.39Å; K31-Q35 WeakPolarHBondContact O-CG 3.36Å; K31-Q35 PolarHBondContact O-N 2.86Å; E32-Q35 PolarHBondContact O-N 3.37Å; Q35-Q38 PolarHBondContact O-N 2.96Å; Q35-A39 WeakPolarHBondContact O-CB 3.44Å; Q35-A39 PolarHBondContact O-N 2.97Å
36	F	92.2	Very high	88.2	Confident	127 Å²	127	107.3 Å²	107.3	56%	0.557	53%	0.527	S	S	*	.	H	α-helix	trans	-63.1	-47.2	174.1	-179.3	-100.8	0	0	0	111.2	E32 E33 Q38 A39 Q40	E32-F36 WeakPolarHBondContact O-CB 3.46Å; E32-F36 PolarHBondContact O-N 2.78Å; E33-F36 PolarHBondContact O-N 3.04Å; F36-Q38 VanDerWaalsContact C-N 3.33Å; F36-Q38 PolarHBondContact O-N 2.87Å; F36-A39 PolarHBondContact O-N 2.53Å; F36-Q40 HydrophobicContact CD1-CG 4.16Å; F36-Q40 HydrophobicContact CE1-CG 3.84Å; F36-Q40 HydrophobicContact CZ-CG 4.07Å; F36-Q40 VanDerWaalsContact CZ-NE2 3.27Å; F36-Q40 WeakPolarHBondContact O-CG 3.32Å; F36-Q40 PolarHBondContact O-N 2.8Å
37	L	89.5	Confident	89	Confident	116 Å²	116	110.3 Å²	110.3	61%	0.607	54%	0.535	S	S	*	.	H	α-helix	trans	-63.8	-37.4	176.4	-172.7	63.2	0	0	0	112.1	E33 F34 Q40 Y41	E33-L37 WeakPolarHBondContact O-CB 3.28Å; E33-L37 PolarHBondContact O-N 2.64Å; F34-L37 PolarHBondContact O-N 3.33Å; L37-Q40 PolarHBondContact O-N 3.33Å; L37-Y41 WeakPolarHBondContact O-CB 3.15Å; L37-Y41 PolarHBondContact O-N 3.16Å
38	Q	86.7	Confident	89.4	Confident	115 Å²	115	110.1 Å²	110.1	54%	0.537	53%	0.534	S	S	.	.	H	α-helix	trans	-66.2	-37.5	174.7	-169.7	172.2	25.2	0	0	111.9	F34 Q35 F36 H42	F34-Q38 VanDerWaalsContact O-CB 3.26Å; F34-Q38 WeakPolarHBondContact O-CB 3.42Å; F34-Q38 PolarHBondContact O-N 2.79Å; Q35-Q38 PolarHBondContact O-N 2.96Å; F36-Q38 VanDerWaalsContact C-N 3.33Å; F36-Q38 PolarHBondContact O-N 2.87Å; Q38-H42 WeakPolarHBondContact O-CB 3.23Å; Q38-H42 PolarHBondContact O-N 2.88Å
39	A	91.6	Very high	89.8	Confident	60 Å²	60	111 Å²	111	50%	0.496	54%	0.536	S	S	.	.	H	α-helix	trans	-68.8	-42.9	173.5	0	0	0	0	0	112.2	Q35 F36 H42 S43	Q35-A39 WeakPolarHBondContact O-CB 3.44Å; Q35-A39 PolarHBondContact O-N 2.97Å; F36-A39 PolarHBondContact O-N 2.53Å; A39-H42 PolarHBondContact O-N 2.91Å; A39-S43 WeakPolarHBondContact O-CB 3.48Å; A39-S43 PolarHBondContact O-N 3.28Å
40	Q	90.1	Very high	90.3	Very high	99 Å²	99	109.1 Å²	109.1	46%	0.463	53%	0.532	S	S	.	.	H	α-helix	trans	-57.5	-48.5	173	-73.2	-69.8	-18.4	0	0	111.3	F36 L37 H42 S43 L44	F36-Q40 HydrophobicContact CD1-CG 4.16Å; F36-Q40 HydrophobicContact CE1-CG 3.84Å; F36-Q40 HydrophobicContact CZ-CG 4.07Å; F36-Q40 VanDerWaalsContact CZ-NE2 3.27Å; F36-Q40 WeakPolarHBondContact O-CG 3.32Å; F36-Q40 PolarHBondContact O-N 2.8Å; L37-Q40 PolarHBondContact O-N 3.33Å; Q40-H42 VanDerWaalsContact C-N 3.32Å; Q40-H42 PolarHBondContact O-N 2.79Å; Q40-S43 PolarHBondContact O-N 2.55Å; Q40-L44 WeakPolarHBondContact O-CB 3.28Å; Q40-L44 PolarHBondContact O-N 2.9Å
41	Y	88.9	Confident	90.5	Very high	160 Å²	160	108 Å²	108	63%	0.627	53%	0.527	S	S	*	.	H	α-helix	trans	-59.2	-40.7	176	176.4	-103	0	0	0	112.5	L37 K45	L37-Y41 WeakPolarHBondContact O-CB 3.15Å; L37-Y41 PolarHBondContact O-N 3.16Å; Y41-K45 WeakPolarHBondContact O-CB 3.45Å; Y41-K45 PolarHBondContact O-N 3.09Å
42	H	92.6	Very high	90.5	Very high	115 Å²	115	104.8 Å²	104.8	53%	0.532	52%	0.523	S	S	.	.	H	α-helix	trans	-69.7	-38.5	178.2	-154.3	58	0	0	0	112.4	Q38 A39 Q40 K45 L46	Q38-H42 WeakPolarHBondContact O-CB 3.23Å; Q38-H42 PolarHBondContact O-N 2.88Å; A39-H42 PolarHBondContact O-N 2.91Å; Q40-H42 VanDerWaalsContact C-N 3.32Å; Q40-H42 PolarHBondContact O-N 2.79Å; H42-K45 PolarHBondContact O-N 2.86Å; H42-L46 WeakPolarHBondContact O-CG 3.32Å; H42-L46 PolarHBondContact O-N 2.64Å; H42-L46 VanDerWaalsContact O-N 3.12Å
43	S	93.3	Very high	90.5	Very high	72 Å²	72	101.3 Å²	101.3	50%	0.503	51%	0.514	S	S	.	.	H	α-helix	trans	-62	-48.8	173.1	-169.7	0	0	0	0	111.6	A39 Q40 K45 L46 E47	A39-S43 WeakPolarHBondContact O-CB 3.48Å; A39-S43 PolarHBondContact O-N 3.28Å; Q40-S43 PolarHBondContact O-N 2.55Å; S43-K45 VanDerWaalsContact C-N 3.32Å; S43-K45 PolarHBondContact O-N 3.04Å; S43-L46 PolarHBondContact O-N 3.38Å; S43-E47 PolarHBondContact O-N 2.95Å
44	L	91.9	Very high	90.7	Very high	99 Å²	99	100 Å²	100	52%	0.518	51%	0.508	S	S	.	.	H	α-helix	trans	-63.9	-36.7	178.6	-173.2	64.8	0	0	0	111.9	Q40 E47 C48	Q40-L44 WeakPolarHBondContact O-CB 3.28Å; Q40-L44 PolarHBondContact O-N 2.9Å; L44-E47 PolarHBondContact O-N 3.38Å; L44-C48 PolarHBondContact O-N 2.85Å; L44-C48 PolarHBondContact O-SG 2.99Å; L44-C48 VanDerWaalsContact O-SG 3.36Å
45	K	92.8	Very high	90.7	Very high	87 Å²	87	100.7 Å²	100.7	38%	0.378	51%	0.51	S	S	.	.	H	α-helix	trans	-61.2	-44.5	173.2	-177.9	175.3	-177.3	-77.5	0	112	Y41 H42 S43 E47 C48 E49	Y41-K45 WeakPolarHBondContact O-CB 3.45Å; Y41-K45 PolarHBondContact O-N 3.09Å; H42-K45 PolarHBondContact O-N 2.86Å; S43-K45 VanDerWaalsContact C-N 3.32Å; S43-K45 PolarHBondContact O-N 3.04Å; K45-E47 VanDerWaalsContact C-N 3.32Å; K45-C48 PolarHBondContact O-N 2.95Å; K45-E49 WeakPolarHBondContact CE-OE1 3.46Å; K45-E49 IonicContact NZ-OE1 3.42Å; K45-E49 PolarHBondContact NZ-OE1 3.19Å; K45-E49 IonicContact NZ-OE2 3.52Å; K45-E49 WeakPolarHBondContact O-CG 3.42Å; K45-E49 PolarHBondContact O-N 2.85Å
46	L	93.6	Very high	90.8	Very high	96 Å²	96	98.2 Å²	98.2	50%	0.503	50%	0.504	S	S	.	.	H	α-helix	trans	-64.8	-36.1	176.7	-72.1	165.6	0	0	0	111.8	H42 S43 E49 K50	H42-L46 WeakPolarHBondContact O-CG 3.32Å; H42-L46 PolarHBondContact O-N 2.64Å; H42-L46 VanDerWaalsContact O-N 3.12Å; S43-L46 PolarHBondContact O-N 3.38Å; L46-E49 PolarHBondContact O-N 2.83Å; L46-K50 WeakPolarHBondContact O-CB 3.31Å; L46-K50 PolarHBondContact O-N 2.93Å
47	E	92.1	Very high	90.7	Very high	111 Å²	111	97.8 Å²	97.8	52%	0.519	50%	0.504	S	S	.	.	H	α-helix	trans	-66.9	-41.3	173.7	-171.7	166	-151.4	0	0	112.1	S43 L44 K45 K50 L51	S43-E47 PolarHBondContact O-N 2.95Å; L44-E47 PolarHBondContact O-N 3.38Å; K45-E47 VanDerWaalsContact C-N 3.32Å; E47-K50 PolarHBondContact O-N 2.56Å; E47-L51 HydrophobicContact CG-CD1 4.26Å; E47-L51 WeakPolarHBondContact O-CB 3.22Å; E47-L51 WeakPolarHBondContact O-CG 3.31Å; E47-L51 PolarHBondContact O-N 3.36Å
48	C	84.4	Confident	90.7	Very high	74 Å²	74	98.7 Å²	98.7	50%	0.5	51%	0.506	S	S	.	.	H	α-helix	trans	-63.1	-41.1	171.9	-69.3	0	0	0	0	112.8	L44 K45 L51 A52	L44-C48 PolarHBondContact O-N 2.85Å; L44-C48 PolarHBondContact O-SG 2.99Å; L44-C48 VanDerWaalsContact O-SG 3.36Å; K45-C48 PolarHBondContact O-N 2.95Å; C48-L51 PolarHBondContact O-N 3.21Å; C48-A52 WeakPolarHBondContact O-CB 3.29Å; C48-A52 PolarHBondContact O-N 2.89Å
49	E	92.1	Very high	90.6	Very high	98 Å²	98	98.9 Å²	98.9	46%	0.458	51%	0.507	S	S	.	.	H	α-helix	trans	-65.1	-39.3	175.5	-75.4	175.6	173.9	0	0	111.6	K45 L46 A52 S53	K45-E49 WeakPolarHBondContact CE-OE1 3.46Å; K45-E49 IonicContact NZ-OE1 3.42Å; K45-E49 PolarHBondContact NZ-OE1 3.19Å; K45-E49 IonicContact NZ-OE2 3.52Å; K45-E49 WeakPolarHBondContact O-CG 3.42Å; K45-E49 PolarHBondContact O-N 2.85Å; L46-E49 PolarHBondContact O-N 2.83Å; E49-A52 PolarHBondContact O-N 2.6Å; E49-S53 PolarHBondContact O-N 3.1Å
50	K	95.3	Very high	90.6	Very high	112 Å²	112	104.6 Å²	104.6	49%	0.487	52%	0.516	S	S	.	.	H	α-helix	trans	-62.2	-50.3	172.2	-170.5	-152.7	169.9	-123.5	0	111.8	L46 E47 A52 S53 E54	L46-K50 WeakPolarHBondContact O-CB 3.31Å; L46-K50 PolarHBondContact O-N 2.93Å; E47-K50 PolarHBondContact O-N 2.56Å; K50-A52 PolarHBondContact O-N 2.93Å; K50-S53 PolarHBondContact O-N 3.18Å; K50-S53 VanDerWaalsContact O-N 3.11Å; K50-S53 PolarHBondContact O-OG 3.27Å; K50-E54 IonicContact NZ-OE1 2.75Å; K50-E54 PolarHBondContact NZ-OE1 2.88Å; K50-E54 IonicContact NZ-OE2 2.78Å; K50-E54 PolarHBondContact NZ-OE2 2.86Å; K50-E54 WeakPolarHBondContact O-CB 3.37Å; K50-E54 PolarHBondContact O-N 3Å
51	L	89.1	Confident	90.7	Very high	97 Å²	97	104.9 Å²	104.9	51%	0.508	52%	0.517	S	S	.	.	H	α-helix	trans	-62.4	-33.2	179.6	-73.1	169.7	0	0	0	111.8	E47 C48 K55	E47-L51 HydrophobicContact CG-CD1 4.26Å; E47-L51 WeakPolarHBondContact O-CB 3.22Å; E47-L51 WeakPolarHBondContact O-CG 3.31Å; E47-L51 PolarHBondContact O-N 3.36Å; C48-L51 PolarHBondContact O-N 3.21Å; L51-K55 VanDerWaalsContact O-CB 3.27Å; L51-K55 WeakPolarHBondContact O-CB 3.3Å; L51-K55 PolarHBondContact O-N 2.81Å
52	A	88.1	Confident	90.9	Very high	55 Å²	55	104.7 Å²	104.7	46%	0.455	52%	0.517	S	S	.	.	H	α-helix	trans	-64.9	-45	171.9	0	0	0	0	0	112.1	C48 E49 K50 K55 T56	C48-A52 WeakPolarHBondContact O-CB 3.29Å; C48-A52 PolarHBondContact O-N 2.89Å; E49-A52 PolarHBondContact O-N 2.6Å; K50-A52 PolarHBondContact O-N 2.93Å; A52-K55 PolarHBondContact O-N 2.91Å; A52-T56 WeakPolarHBondContact O-CG2 3.38Å; A52-T56 PolarHBondContact O-N 3.06Å; A52-T56 VanDerWaalsContact O-N 3.13Å
53	S	89.4	Confident	90.8	Very high	64 Å²	64	102.4 Å²	102.4	45%	0.448	51%	0.511	S	S	.	.	H	α-helix	trans	-64.6	-45.6	176	60	0	0	0	0	112.1	E49 K50 K55 T56 E57	E49-S53 PolarHBondContact O-N 3.1Å; K50-S53 PolarHBondContact O-N 3.18Å; K50-S53 VanDerWaalsContact O-N 3.11Å; K50-S53 PolarHBondContact O-OG 3.27Å; S53-K55 VanDerWaalsContact C-N 3.3Å; S53-K55 PolarHBondContact O-N 3.25Å; S53-T56 PolarHBondContact O-N 3.22Å; S53-T56 PolarHBondContact O-OG1 2.89Å; S53-E57 PolarHBondContact O-N 3.2Å
54	E	92.9	Very high	90.7	Very high	90 Å²	90	104 Å²	104	42%	0.421	51%	0.511	S	S	.	.	H	α-helix	trans	-61.5	-37.6	-179.8	-160.6	159.9	-134.5	0	0	111	K50 E57 M58	K50-E54 IonicContact NZ-OE1 2.75Å; K50-E54 PolarHBondContact NZ-OE1 2.88Å; K50-E54 IonicContact NZ-OE2 2.78Å; K50-E54 PolarHBondContact NZ-OE2 2.86Å; K50-E54 WeakPolarHBondContact O-CB 3.37Å; K50-E54 PolarHBondContact O-N 3Å; E54-E57 PolarHBondContact O-N 3.01Å; E54-M58 WeakPolarHBondContact O-CB 3.45Å; E54-M58 PolarHBondContact O-N 3.37Å
55	K	89.1	Confident	90.6	Very high	142 Å²	142	106.7 Å²	106.7	62%	0.617	52%	0.516	S	S	*	.	H	α-helix	trans	-61.1	-46.9	168.9	179.8	-178.8	176.7	-178.9	0	112.6	L51 A52 S53 E57 M58 Q59	L51-K55 VanDerWaalsContact O-CB 3.27Å; L51-K55 WeakPolarHBondContact O-CB 3.3Å; L51-K55 PolarHBondContact O-N 2.81Å; A52-K55 PolarHBondContact O-N 2.91Å; S53-K55 VanDerWaalsContact C-N 3.3Å; S53-K55 PolarHBondContact O-N 3.25Å; K55-E57 VanDerWaalsContact C-N 3.3Å; K55-E57 PolarHBondContact O-N 3.38Å; K55-M58 PolarHBondContact O-N 3.22Å; K55-Q59 WeakPolarHBondContact O-CB 3.27Å; K55-Q59 PolarHBondContact O-N 3.08Å
56	T	90.4	Very high	90.5	Very high	74 Å²	74	109.2 Å²	109.2	45%	0.454	52%	0.524	S	S	.	.	H	α-helix	trans	-67.7	-29.8	-179.6	62.5	0	0	0	0	113.2	A52 S53 R60	A52-T56 WeakPolarHBondContact O-CG2 3.38Å; A52-T56 PolarHBondContact O-N 3.06Å; A52-T56 VanDerWaalsContact O-N 3.13Å; S53-T56 PolarHBondContact O-N 3.22Å; S53-T56 PolarHBondContact O-OG1 2.89Å; T56-R60 PolarHBondContact O-N 3.08Å
57	E	91.8	Very high	90.2	Very high	118 Å²	118	111 Å²	111	55%	0.551	53%	0.529	S	S	*	.	H	α-helix	trans	-76.9	-41.9	176.2	-174.3	150.9	-147.3	0	0	111.7	S53 E54 K55 Q59 R60 H61	S53-E57 PolarHBondContact O-N 3.2Å; E54-E57 PolarHBondContact O-N 3.01Å; K55-E57 VanDerWaalsContact C-N 3.3Å; K55-E57 PolarHBondContact O-N 3.38Å; E57-Q59 VanDerWaalsContact C-N 3.28Å; E57-Q59 PolarHBondContact O-N 2.88Å; E57-R60 WeakPolarHBondContact O-CB 3.46Å; E57-R60 PolarHBondContact O-N 3.01Å; E57-H61 PolarHBondContact O-N 3.36Å; E57-H61 PolarHBondContact O-ND1 2.95Å; E57-H61 VanDerWaalsContact O-ND1 3.08Å
58	M	88.2	Confident	90	Very high	134 Å²	134	110.7 Å²	110.7	66%	0.66	53%	0.529	S	S	*	.	H	α-helix	trans	-62.2	-35.9	170.5	-175.8	156.9	53.7	0	0	112.1	E54 K55 H61 Y62	E54-M58 WeakPolarHBondContact O-CB 3.45Å; E54-M58 PolarHBondContact O-N 3.37Å; K55-M58 PolarHBondContact O-N 3.22Å; M58-H61 PolarHBondContact O-N 3.07Å; M58-Y62 WeakPolarHBondContact O-CB 3.29Å; M58-Y62 PolarHBondContact O-N 2.89Å
59	Q	85.7	Confident	90	Very high	119 Å²	119	109.3 Å²	109.3	56%	0.556	52%	0.52	S	S	*	.	H	α-helix	trans	-67.6	-35.8	173.7	-170.7	170.1	-5.6	0	0	112.5	K55 E57 Y62 V63	K55-Q59 WeakPolarHBondContact O-CB 3.27Å; K55-Q59 PolarHBondContact O-N 3.08Å; E57-Q59 VanDerWaalsContact C-N 3.28Å; E57-Q59 PolarHBondContact O-N 2.88Å; Q59-Y62 PolarHBondContact O-N 2.8Å; Q59-V63 WeakPolarHBondContact O-CG2 3.23Å; Q59-V63 PolarHBondContact O-N 3.17Å
60	R	91.5	Very high	89.8	Confident	181 Å²	181	111.1 Å²	111.1	68%	0.683	52%	0.524	S	S	*	.	H	α-helix	trans	-62.6	-47.3	169.4	-85	-167	177	88.9	-0.7	112.1	T56 E57 Y62 V63 M64	T56-R60 PolarHBondContact O-N 3.08Å; E57-R60 WeakPolarHBondContact O-CB 3.46Å; E57-R60 PolarHBondContact O-N 3.01Å; R60-Y62 VanDerWaalsContact C-N 3.29Å; R60-Y62 PolarHBondContact O-N 2.74Å; R60-V63 PolarHBondContact O-N 3.32Å; R60-M64 WeakPolarHBondContact O-CB 3.43Å; R60-M64 PolarHBondContact O-N 3.04Å
61	H	91.7	Very high	89.5	Confident	104 Å²	104	107.6 Å²	107.6	48%	0.481	52%	0.519	S	S	.	.	H	α-helix	trans	-61.4	-38.5	178.2	-71.8	122.2	0	0	0	112.1	E57 M58 Y65	E57-H61 PolarHBondContact O-N 3.36Å; E57-H61 PolarHBondContact O-ND1 2.95Å; E57-H61 VanDerWaalsContact O-ND1 3.08Å; M58-H61 PolarHBondContact O-N 3.07Å; H61-Y65 VanDerWaalsContact O-CB 3.29Å; H61-Y65 WeakPolarHBondContact O-CB 3.3Å; H61-Y65 PolarHBondContact O-N 2.93Å
62	Y	92.1	Very high	89.3	Confident	157 Å²	157	108.5 Å²	108.5	62%	0.616	52%	0.524	S	S	*	.	H	α-helix	trans	-62.3	-48.8	174	-178.9	-94.2	0	0	0	112.4	M58 Q59 R60 Y65 Y66	M58-Y62 WeakPolarHBondContact O-CB 3.29Å; M58-Y62 PolarHBondContact O-N 2.89Å; Q59-Y62 PolarHBondContact O-N 2.8Å; R60-Y62 VanDerWaalsContact C-N 3.29Å; R60-Y62 PolarHBondContact O-N 2.74Å; Y62-Y65 PolarHBondContact O-N 2.71Å; Y62-Y66 WeakPolarHBondContact O-CB 3.12Å; Y62-Y66 PolarHBondContact O-N 3.37Å
63	V	90.7	Very high	89.2	Confident	67 Å²	67	109.3 Å²	109.3	41%	0.406	52%	0.521	S	S	.	.	H	α-helix	trans	-61.9	-46.5	177.5	172.1	0	0	0	0	111.2	Q59 R60 Y65 Y66 E67	Q59-V63 WeakPolarHBondContact O-CG2 3.23Å; Q59-V63 PolarHBondContact O-N 3.17Å; R60-V63 PolarHBondContact O-N 3.32Å; V63-Y65 VanDerWaalsContact C-N 3.33Å; V63-Y65 PolarHBondContact O-N 2.9Å; V63-Y66 WeakPolarHBondContact O-CB 3.4Å; V63-Y66 PolarHBondContact O-N 3.01Å; V63-Y66 VanDerWaalsContact O-N 3.16Å; V63-E67 HydrophobicContact CG1-CG 4.34Å; V63-E67 WeakPolarHBondContact O-CG 3.42Å; V63-E67 PolarHBondContact O-N 3Å
64	M	92.5	Very high	89.1	Confident	106 Å²	106	109.5 Å²	109.5	52%	0.522	52%	0.516	S	S	.	.	H	α-helix	trans	-59.9	-41.7	177.1	-176.5	-171.8	74.6	0	0	112.2	R60 M68	R60-M64 WeakPolarHBondContact O-CB 3.43Å; R60-M64 PolarHBondContact O-N 3.04Å; M64-M68 VanDerWaalsContact O-CB 3.22Å; M64-M68 WeakPolarHBondContact O-CB 3.33Å; M64-M68 PolarHBondContact O-N 2.81Å
65	Y	90.3	Very high	88.8	Confident	155 Å²	155	108.7 Å²	108.7	61%	0.608	51%	0.513	S	S	*	.	H	α-helix	trans	-66	-40.4	175.5	-178.4	-92.6	0	0	0	111.8	H61 Y62 V63 S69	H61-Y65 VanDerWaalsContact O-CB 3.29Å; H61-Y65 WeakPolarHBondContact O-CB 3.3Å; H61-Y65 PolarHBondContact O-N 2.93Å; Y62-Y65 PolarHBondContact O-N 2.71Å; V63-Y65 VanDerWaalsContact C-N 3.33Å; V63-Y65 PolarHBondContact O-N 2.9Å; Y65-S69 VanDerWaalsContact O-CB 3.24Å; Y65-S69 WeakPolarHBondContact O-CB 3.42Å; Y65-S69 PolarHBondContact O-N 3.45Å; Y65-S69 PolarHBondContact O-OG 3.03Å
66	Y	90.7	Very high	88.6	Confident	140 Å²	140	107.6 Å²	107.6	55%	0.549	51%	0.511	S	S	.	.	H	α-helix	trans	-64	-49	176.6	-171.3	-90.1	0	0	0	111.7	Y62 V63 M68 S69 Y70	Y62-Y66 WeakPolarHBondContact O-CB 3.12Å; Y62-Y66 PolarHBondContact O-N 3.37Å; V63-Y66 WeakPolarHBondContact O-CB 3.4Å; V63-Y66 PolarHBondContact O-N 3.01Å; V63-Y66 VanDerWaalsContact O-N 3.16Å; Y66-M68 PolarHBondContact O-N 3.33Å; Y66-S69 PolarHBondContact O-N 2.82Å; Y66-S69 PolarHBondContact O-OG 3.38Å; Y66-Y70 WeakPolarHBondContact O-CB 3.18Å; Y66-Y70 PolarHBondContact O-N 3.2Å
67	E	86.3	Confident	88.4	Confident	132 Å²	132	109.5 Å²	109.5	62%	0.617	51%	0.514	S	S	*	.	H	α-helix	trans	-61.5	-44.3	177	-70.8	-179.7	154.9	0	0	112	V63 G71	V63-E67 HydrophobicContact CG1-CG 4.34Å; V63-E67 WeakPolarHBondContact O-CG 3.42Å; V63-E67 PolarHBondContact O-N 3Å; E67-G71 PolarHBondContact O-N 2.88Å
68	M	88.7	Confident	88.3	Confident	105 Å²	105	108.8 Å²	108.8	52%	0.517	51%	0.51	S	S	.	.	H	α-helix	trans	-67.7	-44.3	179.1	-176.3	172.8	62.7	0	0	112.3	M64 Y66 G71 L72	M64-M68 VanDerWaalsContact O-CB 3.22Å; M64-M68 WeakPolarHBondContact O-CB 3.33Å; M64-M68 PolarHBondContact O-N 2.81Å; Y66-M68 PolarHBondContact O-N 3.33Å; M68-G71 PolarHBondContact O-N 3.28Å; M68-L72 HydrophobicContact CG-CD1 4.04Å; M68-L72 WeakPolarHBondContact O-CB 3.41Å; M68-L72 VanDerWaalsContact O-CG 3.28Å; M68-L72 WeakPolarHBondContact O-CG 3.42Å; M68-L72 PolarHBondContact O-N 2.87Å
69	S	84.4	Confident	88.1	Confident	45 Å²	45	106.9 Å²	106.9	32%	0.315	50%	0.499	S	S	.	.	H	α-helix	trans	-68.8	-39.1	178.6	57.5	0	0	0	0	112.2	Y65 Y66 N73	Y65-S69 VanDerWaalsContact O-CB 3.24Å; Y65-S69 WeakPolarHBondContact O-CB 3.42Å; Y65-S69 PolarHBondContact O-N 3.45Å; Y65-S69 PolarHBondContact O-OG 3.03Å; Y66-S69 PolarHBondContact O-N 2.82Å; Y66-S69 PolarHBondContact O-OG 3.38Å; S69-N73 VanDerWaalsContact O-CB 3.22Å; S69-N73 WeakPolarHBondContact O-CB 3.32Å; S69-N73 PolarHBondContact O-N 2.88Å
70	Y	86.9	Confident	87.9	Confident	136 Å²	136	104 Å²	104	53%	0.533	50%	0.496	S	S	.	.	H	α-helix	trans	-64.5	-42.8	173.1	-174.1	-108.2	0	0	0	111.9	Y66 N73 I74	Y66-Y70 WeakPolarHBondContact O-CB 3.18Å; Y66-Y70 PolarHBondContact O-N 3.2Å; Y70-N73 PolarHBondContact O-N 3.06Å; Y70-I74 HydrophobicContact CD1-CD1 3.84Å; Y70-I74 HydrophobicContact CE1-CD1 3.36Å; Y70-I74 HydrophobicContact CE1-CG1 4.42Å; Y70-I74 HydrophobicContact CE2-CD1 4.35Å; Y70-I74 WeakPolarHBondContact O-CG1 3.25Å; Y70-I74 PolarHBondContact O-N 3.15Å
71	G	88.3	Confident	87.5	Confident	38 Å²	38	98.2 Å²	98.2	39%	0.392	48%	0.477	S	S	.	.	H	α-helix	trans	-61.8	-46.5	174.8	0	0	0	0	0	113.2	E67 M68 I74 E75	E67-G71 PolarHBondContact O-N 2.88Å; M68-G71 PolarHBondContact O-N 3.28Å; G71-I74 PolarHBondContact O-N 3.03Å; G71-E75 PolarHBondContact O-N 2.83Å
72	L	86.3	Confident	87.3	Confident	116 Å²	116	97.7 Å²	97.7	61%	0.607	48%	0.476	S	S	*	.	H	α-helix	trans	-63.2	-40.2	174.8	-73.8	169.4	0	0	0	112.1	M68 E75 M76	M68-L72 HydrophobicContact CG-CD1 4.04Å; M68-L72 WeakPolarHBondContact O-CB 3.41Å; M68-L72 VanDerWaalsContact O-CG 3.28Å; M68-L72 WeakPolarHBondContact O-CG 3.42Å; M68-L72 PolarHBondContact O-N 2.87Å; L72-E75 PolarHBondContact O-N 3.33Å; L72-M76 WeakPolarHBondContact O-CB 3.22Å; L72-M76 PolarHBondContact O-N 2.85Å
73	N	84.9	Confident	86.9	Confident	73 Å²	73	94 Å²	94	39%	0.39	47%	0.47	S	S	.	.	H	α-helix	trans	-65.7	-42.1	177.8	-171	22.9	0	0	0	111.8	S69 Y70 M76 H77	S69-N73 VanDerWaalsContact O-CB 3.22Å; S69-N73 WeakPolarHBondContact O-CB 3.32Å; S69-N73 PolarHBondContact O-N 2.88Å; Y70-N73 PolarHBondContact O-N 3.06Å; N73-M76 PolarHBondContact O-N 3.46Å; N73-M76 WeakPolarHBondContact OD1-CE 3.34Å; N73-H77 PolarHBondContact O-N 3.17Å; N73-H77 PolarHBondContact O-ND1 3.22Å; N73-H77 PolarHBondContact OD1-CE1 2.97Å; N73-H77 PolarHBondContact OD1-ND1 3.49Å
74	I	87.8	Confident	86.6	Confident	67 Å²	67	97.4 Å²	97.4	34%	0.344	48%	0.479	S	S	.	.	H	α-helix	trans	-59.8	-46.5	172.2	-79.3	175.1	0	0	0	111	Y70 G71 H77 K78	Y70-I74 HydrophobicContact CD1-CD1 3.84Å; Y70-I74 HydrophobicContact CE1-CD1 3.36Å; Y70-I74 HydrophobicContact CE1-CG1 4.42Å; Y70-I74 HydrophobicContact CE2-CD1 4.35Å; Y70-I74 WeakPolarHBondContact O-CG1 3.25Å; Y70-I74 PolarHBondContact O-N 3.15Å; G71-I74 PolarHBondContact O-N 3.03Å; I74-H77 PolarHBondContact O-N 2.79Å; I74-K78 WeakPolarHBondContact O-CG 3.49Å; I74-K78 PolarHBondContact O-N 2.83Å
75	E	86.1	Confident	86.4	Confident	74 Å²	74	99.9 Å²	99.9	35%	0.346	48%	0.483	S	S	.	.	H	α-helix	trans	-67.1	-41.8	-179	-166.2	54.7	-133.9	0	0	111.5	G71 L72 H77 K78 Q79	G71-E75 PolarHBondContact O-N 2.83Å; L72-E75 PolarHBondContact O-N 3.33Å; E75-H77 VanDerWaalsContact C-N 3.29Å; E75-H77 PolarHBondContact O-N 3.41Å; E75-K78 WeakPolarHBondContact O-CB 3.27Å; E75-K78 PolarHBondContact O-N 3.02Å; E75-K78 VanDerWaalsContact O-N 3.1Å; E75-K78 WeakPolarHBondContact OE2-CD 3.32Å; E75-K78 WeakPolarHBondContact OE2-CE 3.36Å; E75-K78 IonicContact OE2-NZ 3.76Å; E75-K78 PolarHBondContact OE2-NZ 2.83Å; E75-Q79 WeakPolarHBondContact O-CG 3.48Å; E75-Q79 PolarHBondContact O-N 2.88Å; E75-Q79 PolarHBondContact OE1-NE2 2.71Å
76	M	86.3	Confident	86	Confident	118 Å²	118	97.4 Å²	97.4	58%	0.581	48%	0.48	S	S	*	.	H	α-helix	trans	-54.7	-43.5	171.7	-176	-173	72.1	0	0	111.8	L72 N73 Q79 A80	L72-M76 WeakPolarHBondContact O-CB 3.22Å; L72-M76 PolarHBondContact O-N 2.85Å; N73-M76 PolarHBondContact O-N 3.46Å; N73-M76 WeakPolarHBondContact OD1-CE 3.34Å; M76-Q79 PolarHBondContact O-N 3.44Å; M76-A80 WeakPolarHBondContact O-CB 3.49Å; M76-A80 PolarHBondContact O-N 3Å
77	H	86.1	Confident	85.6	Confident	114 Å²	114	93 Å²	93	53%	0.528	47%	0.465	S	S	.	.	H	α-helix	trans	-65.9	-37.8	176.5	-80.5	81	0	0	0	112.9	N73 I74 E75 A80 E81	N73-H77 PolarHBondContact O-N 3.17Å; N73-H77 PolarHBondContact O-ND1 3.22Å; N73-H77 PolarHBondContact OD1-CE1 2.97Å; N73-H77 PolarHBondContact OD1-ND1 3.49Å; I74-H77 PolarHBondContact O-N 2.79Å; E75-H77 VanDerWaalsContact C-N 3.29Å; E75-H77 PolarHBondContact O-N 3.41Å; H77-A80 PolarHBondContact O-N 3.22Å; H77-E81 PolarHBondContact O-N 3.01Å
78	K	88.1	Confident	85.5	Confident	104 Å²	104	89 Å²	89	45%	0.452	46%	0.455	S	S	.	.	H	α-helix	trans	-61.9	-48.3	171.8	-65.8	179.7	-150.2	153.2	0	111.2	I74 E75 A80 E81 I82	I74-K78 WeakPolarHBondContact O-CG 3.49Å; I74-K78 PolarHBondContact O-N 2.83Å; E75-K78 WeakPolarHBondContact O-CB 3.27Å; E75-K78 PolarHBondContact O-N 3.02Å; E75-K78 VanDerWaalsContact O-N 3.1Å; E75-K78 WeakPolarHBondContact OE2-CD 3.32Å; E75-K78 WeakPolarHBondContact OE2-CE 3.36Å; E75-K78 IonicContact OE2-NZ 3.76Å; E75-K78 PolarHBondContact OE2-NZ 2.83Å; K78-A80 VanDerWaalsContact C-N 3.33Å; K78-A80 PolarHBondContact O-N 2.88Å; K78-E81 PolarHBondContact O-N 2.93Å; K78-I82 VanDerWaalsContact O-CG1 3.26Å; K78-I82 WeakPolarHBondContact O-CG1 3.49Å; K78-I82 PolarHBondContact O-N 2.65Å
79	Q	84.5	Confident	85.2	Confident	93 Å²	93	88.5 Å²	88.5	44%	0.435	45%	0.453	S	S	.	.	H	α-helix	trans	-62.3	-40.4	179.8	-62	-55.5	-36.2	0	0	111.4	E75 M76 I82 V83	E75-Q79 WeakPolarHBondContact O-CG 3.48Å; E75-Q79 PolarHBondContact O-N 2.88Å; E75-Q79 PolarHBondContact OE1-NE2 2.71Å; M76-Q79 PolarHBondContact O-N 3.44Å; Q79-I82 PolarHBondContact O-N 2.79Å; Q79-V83 WeakPolarHBondContact O-CB 3.48Å; Q79-V83 VanDerWaalsContact O-CG2 3.31Å; Q79-V83 WeakPolarHBondContact O-CG2 3.47Å; Q79-V83 PolarHBondContact O-N 2.9Å
80	A	82.3	Confident	84.9	Confident	59 Å²	59	88.1 Å²	88.1	49%	0.488	45%	0.45	S	S	.	.	H	α-helix	trans	-61.5	-44.1	174.6	0	0	0	0	0	112.8	M76 H77 K78 V83 K84	M76-A80 WeakPolarHBondContact O-CB 3.49Å; M76-A80 PolarHBondContact O-N 3Å; H77-A80 PolarHBondContact O-N 3.22Å; K78-A80 VanDerWaalsContact C-N 3.33Å; K78-A80 PolarHBondContact O-N 2.88Å; A80-V83 PolarHBondContact O-N 2.78Å; A80-K84 VanDerWaalsContact O-CB 3.27Å; A80-K84 WeakPolarHBondContact O-CB 3.4Å; A80-K84 PolarHBondContact O-N 2.98Å
81	E	83.8	Confident	84.5	Confident	60 Å²	60	84.6 Å²	84.6	28%	0.28	45%	0.449	S	S	.	.	H	α-helix	trans	-69.6	-34	176.7	178.9	63.4	-170.6	0	0	112.2	H77 K78 K84 R85	H77-E81 PolarHBondContact O-N 3.01Å; K78-E81 PolarHBondContact O-N 2.93Å; E81-K84 PolarHBondContact O-N 2.7Å; E81-K84 WeakPolarHBondContact OE2-CD 3.35Å; E81-K84 IonicContact OE2-NZ 2.59Å; E81-K84 PolarHBondContact OE2-NZ 2.86Å; E81-R85 WeakPolarHBondContact O-CB 3.47Å; E81-R85 VanDerWaalsContact O-CG 3.3Å; E81-R85 WeakPolarHBondContact O-CG 3.3Å; E81-R85 PolarHBondContact O-N 3.19Å; E81-R85 IonicContact OE1-CZ 3.69Å; E81-R85 IonicContact OE1-NE 3.89Å; E81-R85 PolarHBondContact OE1-NE 2.88Å; E81-R85 IonicContact OE1-NH2 2.69Å; E81-R85 PolarHBondContact OE1-NH2 3.03Å
82	I	85.7	Confident	84.1	Confident	93 Å²	93	89.3 Å²	89.3	48%	0.477	46%	0.461	S	S	.	.	H	α-helix	trans	-62.8	-49.4	170.7	-70	163.8	0	0	0	110.4	K78 Q79 K84 R85 L86	K78-I82 VanDerWaalsContact O-CG1 3.26Å; K78-I82 WeakPolarHBondContact O-CG1 3.49Å; K78-I82 PolarHBondContact O-N 2.65Å; Q79-I82 PolarHBondContact O-N 2.79Å; I82-K84 VanDerWaalsContact C-N 3.29Å; I82-K84 PolarHBondContact O-N 2.91Å; I82-R85 PolarHBondContact O-N 2.79Å; I82-L86 WeakPolarHBondContact O-CB 3.38Å; I82-L86 PolarHBondContact O-N 2.87Å
83	V	83.5	Confident	83.6	Confident	80 Å²	80	87.4 Å²	87.4	49%	0.485	45%	0.454	S	S	.	.	H	α-helix	trans	-61.1	-38.2	177.6	168.1	0	0	0	0	111.5	Q79 A80 N87	Q79-V83 WeakPolarHBondContact O-CB 3.48Å; Q79-V83 VanDerWaalsContact O-CG2 3.31Å; Q79-V83 WeakPolarHBondContact O-CG2 3.47Å; Q79-V83 PolarHBondContact O-N 2.9Å; A80-V83 PolarHBondContact O-N 2.78Å; V83-N87 WeakPolarHBondContact O-CB 3.37Å; V83-N87 PolarHBondContact O-N 2.83Å; V83-N87 PolarHBondContact O-ND2 2.98Å
84	K	85.8	Confident	83.2	Confident	137 Å²	137	85.4 Å²	85.4	60%	0.596	44%	0.443	S	S	*	.	H	α-helix	trans	-65.7	-44.3	175.4	177.4	174.6	154.1	-142.4	0	112.2	A80 E81 I82 N87 A88	A80-K84 VanDerWaalsContact O-CB 3.27Å; A80-K84 WeakPolarHBondContact O-CB 3.4Å; A80-K84 PolarHBondContact O-N 2.98Å; E81-K84 PolarHBondContact O-N 2.7Å; E81-K84 WeakPolarHBondContact OE2-CD 3.35Å; E81-K84 IonicContact OE2-NZ 2.59Å; E81-K84 PolarHBondContact OE2-NZ 2.86Å; I82-K84 VanDerWaalsContact C-N 3.29Å; I82-K84 PolarHBondContact O-N 2.91Å; K84-N87 PolarHBondContact O-N 3.43Å; K84-A88 PolarHBondContact O-N 2.63Å
85	R	87.5	Confident	82.6	Confident	158 Å²	158	86.4 Å²	86.4	60%	0.596	45%	0.454	S	S	*	.	H	α-helix	trans	-65.5	-42.5	174.4	-72	174.3	-169.7	-161.1	3.5	112.1	E81 I82 N87 A88 I89	E81-R85 WeakPolarHBondContact O-CB 3.47Å; E81-R85 VanDerWaalsContact O-CG 3.3Å; E81-R85 WeakPolarHBondContact O-CG 3.3Å; E81-R85 PolarHBondContact O-N 3.19Å; E81-R85 IonicContact OE1-CZ 3.69Å; E81-R85 IonicContact OE1-NE 3.89Å; E81-R85 PolarHBondContact OE1-NE 2.88Å; E81-R85 IonicContact OE1-NH2 2.69Å; E81-R85 PolarHBondContact OE1-NH2 3.03Å; I82-R85 PolarHBondContact O-N 2.79Å; R85-N87 PolarHBondContact O-N 3.16Å; R85-A88 PolarHBondContact O-N 2.91Å; R85-I89 WeakPolarHBondContact O-CG1 3.13Å; R85-I89 PolarHBondContact O-N 3.39Å
86	L	83.1	Confident	82.1	Confident	104 Å²	104	91.8 Å²	91.8	55%	0.545	48%	0.476	S	S	.	.	H	α-helix	trans	-61.6	-43.9	176.1	-170.6	68.2	0	0	0	111	I82 A88 I89 C90	I82-L86 WeakPolarHBondContact O-CB 3.38Å; I82-L86 PolarHBondContact O-N 2.87Å; L86-A88 PolarHBondContact O-N 3.39Å; L86-I89 PolarHBondContact O-N 3.38Å; L86-C90 PolarHBondContact O-N 2.97Å; L86-C90 PolarHBondContact O-SG 3.45Å
87	N	81.9	Confident	81.4	Confident	47 Å²	47	89.4 Å²	89.4	25%	0.251	47%	0.466	S	S	.	.	H	α-helix	trans	-59.8	-42.4	173.1	-91.2	-87.6	0	0	0	112.7	V83 K84 R85 C90 A91 K113	V83-N87 WeakPolarHBondContact O-CB 3.37Å; V83-N87 PolarHBondContact O-N 2.83Å; V83-N87 PolarHBondContact O-ND2 2.98Å; K84-N87 PolarHBondContact O-N 3.43Å; R85-N87 PolarHBondContact O-N 3.16Å; N87-C90 PolarHBondContact O-N 3.18Å; N87-A91 WeakPolarHBondContact O-CB 3.31Å; N87-A91 PolarHBondContact O-N 3.31Å; N87-K113 WeakPolarHBondContact OD1-CE 3.4Å; N87-K113 PolarHBondContact OD1-NZ 2.88Å
88	A	82.8	Confident	80.8	Confident	47 Å²	47	87.1 Å²	87.1	39%	0.388	46%	0.462	S	S	.	.	H	α-helix	trans	-63.5	-41.1	176.8	0	0	0	0	0	112.1	K84 R85 L86 A91 Q92	K84-A88 PolarHBondContact O-N 2.63Å; R85-A88 PolarHBondContact O-N 2.91Å; L86-A88 PolarHBondContact O-N 3.39Å; A88-A91 PolarHBondContact O-N 2.94Å; A88-Q92 VanDerWaalsContact O-CG 3.3Å; A88-Q92 WeakPolarHBondContact O-CG 3.35Å; A88-Q92 PolarHBondContact O-N 3.13Å
89	I	83.4	Confident	79.8	Confident	96 Å²	96	89.3 Å²	89.3	49%	0.492	47%	0.474	S	S	.	.	H	α-helix	trans	-65	-47	175	-66.6	164.2	0	0	0	110.5	R85 L86 A91 Q92 V93	R85-I89 WeakPolarHBondContact O-CG1 3.13Å; R85-I89 PolarHBondContact O-N 3.39Å; L86-I89 PolarHBondContact O-N 3.38Å; I89-A91 VanDerWaalsContact C-N 3.33Å; I89-A91 PolarHBondContact O-N 3.32Å; I89-Q92 PolarHBondContact O-N 2.8Å; I89-Q92 VanDerWaalsContact O-N 3.11Å; I89-V93 HydrophobicContact CG2-CG2 4.34Å; I89-V93 WeakPolarHBondContact O-CG2 3.25Å; I89-V93 PolarHBondContact O-N 2.88Å
90	C	77.4	Confident	79.2	Confident	37 Å²	37	92.4 Å²	92.4	25%	0.25	49%	0.489	C	S	.	.	H	α-helix	trans	-57.9	-44.5	175.4	-68.9	0	0	0	0	111.8	L86 N87 Q92 V93 I94	L86-C90 PolarHBondContact O-N 2.97Å; L86-C90 PolarHBondContact O-SG 3.45Å; N87-C90 PolarHBondContact O-N 3.18Å; C90-Q92 VanDerWaalsContact C-N 3.28Å; C90-Q92 PolarHBondContact O-N 2.86Å; C90-V93 PolarHBondContact O-N 2.86Å; C90-I94 WeakPolarHBondContact O-CB 3.31Å; C90-I94 WeakPolarHBondContact O-CD1 3.3Å; C90-I94 WeakPolarHBondContact O-CG1 3.33Å; C90-I94 PolarHBondContact O-N 3.5Å
91	A	78.4	Confident	78.4	Confident	62 Å²	62	93.9 Å²	93.9	51%	0.512	49%	0.486	S	S	.	.	H	α-helix	trans	-63.3	-30.8	176.4	0	0	0	0	0	113.3	N87 A88 I89 P95	N87-A91 WeakPolarHBondContact O-CB 3.31Å; N87-A91 PolarHBondContact O-N 3.31Å; A88-A91 PolarHBondContact O-N 2.94Å; I89-A91 VanDerWaalsContact C-N 3.33Å; I89-A91 PolarHBondContact O-N 3.32Å; A91-P95 VanDerWaalsContact O-CD 3.29Å; A91-P95 WeakPolarHBondContact O-CD 3.5Å
92	Q	79.9	Confident	77.9	Confident	137 Å²	137	94 Å²	94	64%	0.64	49%	0.486	S	S	*	.	H	α-helix	trans	-79.1	-27.8	174.2	-72.5	172.1	8.4	0	0	113.4	A88 I89 C90 F96	A88-Q92 VanDerWaalsContact O-CG 3.3Å; A88-Q92 WeakPolarHBondContact O-CG 3.35Å; A88-Q92 PolarHBondContact O-N 3.13Å; I89-Q92 PolarHBondContact O-N 2.8Å; I89-Q92 VanDerWaalsContact O-N 3.11Å; C90-Q92 VanDerWaalsContact C-N 3.28Å; C90-Q92 PolarHBondContact O-N 2.86Å; Q92-F96 VanDerWaalsContact O-CD2 3.23Å; Q92-F96 WeakPolarHBondContact O-CD2 3.35Å; Q92-F96 VanDerWaalsContact O-CE2 3.25Å; Q92-F96 WeakPolarHBondContact O-CE2 3.26Å
93	V	77.4	Confident	77.3	Confident	76 Å²	76	96.8 Å²	96.8	46%	0.461	50%	0.497	S	S	.	.	H	α-helix	trans	-85.4	-31.9	179	172.8	0	0	0	0	112.4	I89 C90 P95 F96 L97	I89-V93 HydrophobicContact CG2-CG2 4.34Å; I89-V93 WeakPolarHBondContact O-CG2 3.25Å; I89-V93 PolarHBondContact O-N 2.88Å; C90-V93 PolarHBondContact O-N 2.86Å; V93-P95 VanDerWaalsContact C-CD 3.48Å; V93-P95 VanDerWaalsContact C-N 3.33Å; V93-F96 PolarHBondContact O-N 2.88Å; V93-L97 HydrophobicContact CG1-CD1 4.31Å
94	I	75.2	Confident	76.9	Confident	30 Å²	30	99.1 Å²	99.1	15%	0.154	50%	0.503	C	S	.	.	G	3₁₀ helix	trans	-47.6	-42.8	178.7	-86.2	163.8	0	0	0	114.1	C90 F96 L97 Q102 V105 V106	C90-I94 WeakPolarHBondContact O-CB 3.31Å; C90-I94 WeakPolarHBondContact O-CD1 3.3Å; C90-I94 WeakPolarHBondContact O-CG1 3.33Å; C90-I94 PolarHBondContact O-N 3.5Å; I94-F96 VanDerWaalsContact C-N 3.26Å; I94-F96 PolarHBondContact O-N 3.06Å; I94-L97 PolarHBondContact O-N 2.92Å; I94-Q102 HydrophobicContact CG2-CG 3.84Å; I94-Q102 PolarHBondContact O-NE2 3.18Å; I94-V105 HydrophobicContact CD1-CG1 4.36Å; I94-V105 HydrophobicContact CG1-CG1 4.03Å; I94-V106 HydrophobicContact CD1-CG2 3.83Å; I94-V106 HydrophobicContact CG1-CG2 4.42Å; I94-V106 HydrophobicContact CG2-CG2 4.43Å
95	P	75.1	Confident	76.3	Confident	88 Å²	88	94.9 Å²	94.9	57%	0.571	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-69.4	-11.3	177.5	-22.8	35.4	0	0	0	116.2	A91 V93	A91-P95 VanDerWaalsContact O-CD 3.29Å; A91-P95 WeakPolarHBondContact O-CD 3.5Å; V93-P95 VanDerWaalsContact C-CD 3.48Å; V93-P95 VanDerWaalsContact C-N 3.33Å
96	F	75.4	Confident	75.9	Confident	187 Å²	187	90.3 Å²	90.3	82%	0.82	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-99	0.1	-179.7	-63.4	-83.4	0	0	0	113.4	Q92 V93 I94	Q92-F96 VanDerWaalsContact O-CD2 3.23Å; Q92-F96 WeakPolarHBondContact O-CD2 3.35Å; Q92-F96 VanDerWaalsContact O-CE2 3.25Å; Q92-F96 WeakPolarHBondContact O-CE2 3.26Å; V93-F96 PolarHBondContact O-N 2.88Å; I94-F96 VanDerWaalsContact C-N 3.26Å; I94-F96 PolarHBondContact O-N 3.06Å
97	L	71.2	Confident	75.6	Confident	68 Å²	68	90.9 Å²	90.9	36%	0.356	48%	0.478	S	S	.	.	S	Bend	trans	-94.8	155.9	178.3	-77.4	157.7	0	0	0	111.5	V93 I94 H101 V105	V93-L97 HydrophobicContact CG1-CD1 4.31Å; I94-L97 PolarHBondContact O-N 2.92Å; L97-H101 HydrophobicContact CD2-CB 4.5Å; L97-V105 HydrophobicContact CD1-CG2 4.23Å
98	S	73.8	Confident	75.2	Confident	66 Å²	66	90.9 Å²	90.9	46%	0.462	48%	0.484	S	S	.	.			trans	-67.3	147.4	172.7	64.3	0	0	0	0	111.1	E100 H101 Q102	S98-E100 PolarHBondContact O-N 2.73Å; S98-H101 PolarHBondContact O-N 3.25Å; S98-H101 PolarHBondContact OG-ND1 3.35Å; S98-Q102 PolarHBondContact O-N 2.71Å
99	Q	67.9	Low	74.9	Confident	150 Å²	150	90.3 Å²	90.3	70%	0.701	48%	0.476	S	S	*	.	H	α-helix	trans	-56.1	-31.7	-166.6	-161.5	172.5	12.1	0	0	114.4	Q102	Q99-Q102 WeakPolarHBondContact O-CB 3.31Å
100	E	71.2	Confident	74.7	Confident	158 Å²	158	90.7 Å²	90.7	74%	0.738	48%	0.476	S	S	*	.	H	α-helix	trans	-67.3	-51.4	174.8	-175.6	174.2	-159.2	0	0	112.3	S98 Q102 Q104	S98-E100 PolarHBondContact O-N 2.73Å; E100-Q102 PolarHBondContact O-N 2.7Å; E100-Q104 PolarHBondContact O-N 3.39Å
101	H	67	Low	74.7	Confident	91 Å²	91	95.4 Å²	95.4	42%	0.421	49%	0.488	S	S	.	.	H	α-helix	trans	-65	-30.2	174.2	-63.8	115.1	0	0	0	112.1	L97 S98 Q103 Q104 V105	L97-H101 HydrophobicContact CD2-CB 4.5Å; S98-H101 PolarHBondContact O-N 3.25Å; S98-H101 PolarHBondContact OG-ND1 3.35Å; H101-Q103 PolarHBondContact O-N 2.52Å; H101-Q104 PolarHBondContact O-N 2.95Å; H101-V105 WeakPolarHBondContact O-CB 3.39Å; H101-V105 WeakPolarHBondContact O-CG2 3.49Å; H101-V105 PolarHBondContact O-N 2.89Å
102	Q	71.8	Confident	74.2	Confident	63 Å²	63	95.7 Å²	95.7	29%	0.294	49%	0.491	S	S	.	.	H	α-helix	trans	-59.6	-45.5	-178.8	-161.8	180	12.5	0	0	111.8	I94 S98 Q99 E100 V106	I94-Q102 HydrophobicContact CG2-CG 3.84Å; I94-Q102 PolarHBondContact O-NE2 3.18Å; S98-Q102 PolarHBondContact O-N 2.71Å; Q99-Q102 WeakPolarHBondContact O-CB 3.31Å; E100-Q102 PolarHBondContact O-N 2.7Å; Q102-V106 VanDerWaalsContact O-CG2 3.3Å; Q102-V106 WeakPolarHBondContact O-CG2 3.31Å; Q102-V106 PolarHBondContact O-N 2.61Å
103	Q	73.8	Confident	73.8	Confident	151 Å²	151	95.2 Å²	95.2	71%	0.706	49%	0.486	S	S	*	.	H	α-helix	trans	-69.3	-37.9	175.7	-73.3	-179.2	-39.3	0	0	112.2	H101 V106 Q107	H101-Q103 PolarHBondContact O-N 2.52Å; Q103-V106 PolarHBondContact O-N 3.48Å; Q103-Q107 WeakPolarHBondContact O-CB 3.24Å; Q103-Q107 PolarHBondContact O-N 3.14Å
104	Q	75.4	Confident	73.4	Confident	128 Å²	128	98 Å²	98	60%	0.598	49%	0.494	S	S	*	.	H	α-helix	trans	-63.9	-41.4	177.2	-163	-179.8	31	0	0	112.2	E100 H101 A108	E100-Q104 PolarHBondContact O-N 3.39Å; H101-Q104 PolarHBondContact O-N 2.95Å; Q104-A108 WeakPolarHBondContact O-CB 3.13Å; Q104-A108 PolarHBondContact O-N 3.16Å
105	V	73.2	Confident	73	Confident	49 Å²	49	99.8 Å²	99.8	30%	0.297	51%	0.506	S	S	.	.	H	α-helix	trans	-69.3	-44	176.9	169.9	0	0	0	0	111.5	I94 L97 H101 Q107 A108 V109	I94-V105 HydrophobicContact CD1-CG1 4.36Å; I94-V105 HydrophobicContact CG1-CG1 4.03Å; L97-V105 HydrophobicContact CD1-CG2 4.23Å; H101-V105 WeakPolarHBondContact O-CB 3.39Å; H101-V105 WeakPolarHBondContact O-CG2 3.49Å; H101-V105 PolarHBondContact O-N 2.89Å; V105-Q107 PolarHBondContact O-N 3.17Å; V105-A108 PolarHBondContact O-N 2.9Å; V105-V109 HydrophobicContact CG1-CG2 4.41Å; V105-V109 WeakPolarHBondContact O-CG2 3.38Å; V105-V109 PolarHBondContact O-N 3.2Å
106	V	78.4	Confident	72.5	Confident	62 Å²	62	99 Å²	99	38%	0.376	50%	0.5	S	S	.	.	H	α-helix	trans	-58.5	-48.7	175.2	168.7	0	0	0	0	110.6	I94 Q102 Q103 A108 V109 E110	I94-V106 HydrophobicContact CD1-CG2 3.83Å; I94-V106 HydrophobicContact CG1-CG2 4.42Å; I94-V106 HydrophobicContact CG2-CG2 4.43Å; Q102-V106 VanDerWaalsContact O-CG2 3.3Å; Q102-V106 WeakPolarHBondContact O-CG2 3.31Å; Q102-V106 PolarHBondContact O-N 2.61Å; Q103-V106 PolarHBondContact O-N 3.48Å; V106-A108 VanDerWaalsContact C-N 3.3Å; V106-A108 PolarHBondContact O-N 2.82Å; V106-V109 PolarHBondContact O-N 3.22Å; V106-E110 WeakPolarHBondContact O-CB 3.45Å; V106-E110 PolarHBondContact O-N 2.98Å
107	Q	77	Confident	71.5	Confident	116 Å²	116	96.7 Å²	96.7	54%	0.542	49%	0.494	S	S	.	.	H	α-helix	trans	-65	-32.2	178.9	-161.3	-164.7	63.7	0	0	112.6	Q103 V105 R111	Q103-Q107 WeakPolarHBondContact O-CB 3.24Å; Q103-Q107 PolarHBondContact O-N 3.14Å; V105-Q107 PolarHBondContact O-N 3.17Å; Q107-R111 VanDerWaalsContact O-CB 3.29Å; Q107-R111 WeakPolarHBondContact O-CB 3.38Å; Q107-R111 PolarHBondContact O-N 2.8Å
108	A	73.5	Confident	71.2	Confident	47 Å²	47	96.7 Å²	96.7	39%	0.388	50%	0.503	S	S	.	.	H	α-helix	trans	-69.3	-43.1	173.7	0	0	0	0	0	112.6	Q104 V105 V106 E110 R111 A112	Q104-A108 WeakPolarHBondContact O-CB 3.13Å; Q104-A108 PolarHBondContact O-N 3.16Å; V105-A108 PolarHBondContact O-N 2.9Å; V106-A108 VanDerWaalsContact C-N 3.3Å; V106-A108 PolarHBondContact O-N 2.82Å; A108-E110 VanDerWaalsContact C-N 3.35Å; A108-R111 PolarHBondContact O-N 2.86Å; A108-A112 WeakPolarHBondContact O-CB 3.42Å; A108-A112 PolarHBondContact O-N 2.98Å
109	V	77.2	Confident	70.9	Confident	35 Å²	35	98.1 Å²	98.1	21%	0.212	50%	0.503	C	S	.	.	H	α-helix	trans	-65.1	-38.3	175.7	169.4	0	0	0	0	111.4	V105 V106 A112 K113	V105-V109 HydrophobicContact CG1-CG2 4.41Å; V105-V109 WeakPolarHBondContact O-CG2 3.38Å; V105-V109 PolarHBondContact O-N 3.2Å; V106-V109 PolarHBondContact O-N 3.22Å; V109-A112 PolarHBondContact O-N 2.95Å; V109-K113 WeakPolarHBondContact O-CG 3.19Å; V109-K113 PolarHBondContact O-N 2.93Å; V109-K113 VanDerWaalsContact O-N 3.17Å
110	E	78.9	Confident	70.8	Confident	104 Å²	104	94.7 Å²	94.7	49%	0.486	49%	0.489	S	S	.	.	H	α-helix	trans	-68.7	-43.7	177.6	-164	131.4	-112.7	0	0	111.8	V106 A108 A112 K113 Q114	V106-E110 WeakPolarHBondContact O-CB 3.45Å; V106-E110 PolarHBondContact O-N 2.98Å; A108-E110 VanDerWaalsContact C-N 3.35Å; E110-A112 VanDerWaalsContact C-N 3.31Å; E110-A112 PolarHBondContact O-N 2.74Å; E110-K113 WeakPolarHBondContact O-CB 3.46Å; E110-K113 PolarHBondContact O-N 2.94Å; E110-K113 VanDerWaalsContact O-N 3.12Å; E110-Q114 WeakPolarHBondContact O-CG 3.4Å; E110-Q114 PolarHBondContact O-N 2.85Å
111	R	76.1	Confident	70.4	Confident	135 Å²	135	91.5 Å²	91.5	51%	0.509	48%	0.477	S	S	.	.	H	α-helix	trans	-59.9	-40.3	171.5	-168.3	-176.4	-62.1	105.7	-0.1	111.9	Q107 A108 K113 Q114	Q107-R111 VanDerWaalsContact O-CB 3.29Å; Q107-R111 WeakPolarHBondContact O-CB 3.38Å; Q107-R111 PolarHBondContact O-N 2.8Å; A108-R111 PolarHBondContact O-N 2.86Å; R111-K113 VanDerWaalsContact C-N 3.25Å; R111-K113 PolarHBondContact O-N 2.87Å; R111-Q114 PolarHBondContact O-N 2.99Å
112	A	68.8	Low	70.7	Confident	69 Å²	69	91.6 Å²	91.6	57%	0.57	48%	0.483	S	S	*	.	H	α-helix	trans	-67.2	-21.1	176.8	0	0	0	0	0	114	A108 V109 E110	A108-A112 WeakPolarHBondContact O-CB 3.42Å; A108-A112 PolarHBondContact O-N 2.98Å; V109-A112 PolarHBondContact O-N 2.95Å; E110-A112 VanDerWaalsContact C-N 3.31Å; E110-A112 PolarHBondContact O-N 2.74Å
113	K	71.7	Confident	70.5	Confident	126 Å²	126	93.2 Å²	93.2	55%	0.548	49%	0.494	S	S	.	.	H	α-helix	trans	-80.8	-15.1	171	-71.2	168.2	-178.5	172.1	0	113.6	N87 V109 E110 R111	N87-K113 WeakPolarHBondContact OD1-CE 3.4Å; N87-K113 PolarHBondContact OD1-NZ 2.88Å; V109-K113 WeakPolarHBondContact O-CG 3.19Å; V109-K113 PolarHBondContact O-N 2.93Å; V109-K113 VanDerWaalsContact O-N 3.17Å; E110-K113 WeakPolarHBondContact O-CB 3.46Å; E110-K113 PolarHBondContact O-N 2.94Å; E110-K113 VanDerWaalsContact O-N 3.12Å; R111-K113 VanDerWaalsContact C-N 3.25Å; R111-K113 PolarHBondContact O-N 2.87Å
114	Q	68.5	Low	70.3	Confident	134 Å²	134	90.3 Å²	90.3	63%	0.626	48%	0.482	S	S	*	.	S	Bend	trans	-107	7.7	-171.7	-67.9	174	-1.4	0	0	113.1	E110 R111 T116	E110-Q114 WeakPolarHBondContact O-CG 3.4Å; E110-Q114 PolarHBondContact O-N 2.85Å; R111-Q114 PolarHBondContact O-N 2.99Å; Q114-T116 PolarHBondContact O-N 3.16Å; Q114-T116 VanDerWaalsContact O-N 3.1Å
115	V	66.9	Low	69.5	Low	68 Å²	68	93.3 Å²	93.3	41%	0.412	49%	0.488	S	S	.	.			trans	-53.1	116.4	-179.8	176.9	0	0	0	0	110.5	E119 L120	V115-E119 HydrophobicContact CG1-CB 4.18Å; V115-L120 HydrophobicContact CG1-CB 4.36Å
116	T	64.4	Low	69.1	Low	71 Å²	71	96 Å²	96	44%	0.436	50%	0.497	S	S	.	.			trans	-83.7	160.2	-176.4	65.4	0	0	0	0	111.8	Q114 A118 E119 L120	Q114-T116 PolarHBondContact O-N 3.16Å; Q114-T116 VanDerWaalsContact O-N 3.1Å; T116-A118 PolarHBondContact O-N 3.42Å; T116-A118 VanDerWaalsContact O-N 3.1Å; T116-E119 WeakPolarHBondContact CB-OE2 3.24Å; T116-E119 WeakPolarHBondContact CG2-OE2 3.41Å; T116-E119 PolarHBondContact N-OE2 2.88Å; T116-E119 PolarHBondContact O-N 2.94Å; T116-E119 VanDerWaalsContact O-N 3.11Å; T116-E119 PolarHBondContact OG1-OE2 3.36Å; T116-L120 WeakPolarHBondContact O-CB 3.46Å; T116-L120 PolarHBondContact O-N 2.9Å
117	M	54.3	Low	68.4	Low	140 Å²	140	100 Å²	100	69%	0.69	51%	0.512	S	S	*	.	H	α-helix	trans	-59.2	-23.2	176.6	-162.9	64	156.4	0	0	113	L120 N121	M117-L120 HydrophobicContact SD-CD2 4.42Å; M117-N121 PolarHBondContact O-N 3.43Å; M117-N121 PolarHBondContact O-ND2 2.71Å
118	A	65.9	Low	67.6	Low	67 Å²	67	101 Å²	101	55%	0.554	52%	0.517	S	S	*	.	H	α-helix	trans	-72.1	-48.8	174	0	0	0	0	0	111.6	T116 L120 N121 V122	T116-A118 PolarHBondContact O-N 3.42Å; T116-A118 VanDerWaalsContact O-N 3.1Å; A118-L120 VanDerWaalsContact C-N 3.34Å; A118-L120 PolarHBondContact O-N 2.91Å; A118-N121 PolarHBondContact O-N 3.28Å; A118-V122 WeakPolarHBondContact O-CG2 3.48Å; A118-V122 PolarHBondContact O-N 3.01Å; A118-V122 VanDerWaalsContact O-N 3.12Å
119	E	67.2	Low	66.9	Low	97 Å²	97	102.8 Å²	102.8	45%	0.453	52%	0.519	S	S	.	.	H	α-helix	trans	-65.1	-38.1	177.6	-66.3	160.4	117.3	0	0	111.6	V115 T116 N121 V122 L123	V115-E119 HydrophobicContact CG1-CB 4.18Å; T116-E119 WeakPolarHBondContact CB-OE2 3.24Å; T116-E119 WeakPolarHBondContact CG2-OE2 3.41Å; T116-E119 PolarHBondContact N-OE2 2.88Å; T116-E119 PolarHBondContact O-N 2.94Å; T116-E119 VanDerWaalsContact O-N 3.11Å; T116-E119 PolarHBondContact OG1-OE2 3.36Å; E119-N121 PolarHBondContact O-N 3.43Å; E119-V122 PolarHBondContact O-N 3.42Å; E119-L123 WeakPolarHBondContact O-CG 3.45Å; E119-L123 PolarHBondContact O-N 3.17Å
120	L	65.1	Low	65.8	Low	78 Å²	78	106.7 Å²	106.7	41%	0.408	54%	0.535	S	S	.	.	H	α-helix	trans	-64.1	-38.9	176.6	-169.6	142.4	0	0	0	112.1	V115 T116 M117 A118 L123 I124	V115-L120 HydrophobicContact CG1-CB 4.36Å; T116-L120 WeakPolarHBondContact O-CB 3.46Å; T116-L120 PolarHBondContact O-N 2.9Å; M117-L120 HydrophobicContact SD-CD2 4.42Å; A118-L120 VanDerWaalsContact C-N 3.34Å; A118-L120 PolarHBondContact O-N 2.91Å; L120-L123 PolarHBondContact O-N 2.92Å; L120-I124 HydrophobicContact CD2-CD1 3.66Å; L120-I124 WeakPolarHBondContact O-CG1 3.45Å; L120-I124 PolarHBondContact O-N 3.26Å
121	N	64.1	Low	64.5	Low	90 Å²	90	104.5 Å²	104.5	48%	0.481	54%	0.535	S	S	.	.	H	α-helix	trans	-65.5	-38.7	171.8	-82.4	-54.2	0	0	0	112.5	M117 A118 E119 I124 W125	M117-N121 PolarHBondContact O-N 3.43Å; M117-N121 PolarHBondContact O-ND2 2.71Å; A118-N121 PolarHBondContact O-N 3.28Å; E119-N121 PolarHBondContact O-N 3.43Å; N121-I124 PolarHBondContact O-N 2.82Å; N121-W125 WeakPolarHBondContact O-CB 3.34Å; N121-W125 PolarHBondContact O-N 2.69Å
122	V	71.9	Confident	63	Low	93 Å²	93	104.6 Å²	104.6	56%	0.564	54%	0.541	S	S	*	.	H	α-helix	trans	-64.1	-42.8	174.9	172.3	0	0	0	0	111.2	A118 E119 W125 Q126	A118-V122 WeakPolarHBondContact O-CG2 3.48Å; A118-V122 PolarHBondContact O-N 3.01Å; A118-V122 VanDerWaalsContact O-N 3.12Å; E119-V122 PolarHBondContact O-N 3.42Å; V122-W125 PolarHBondContact O-N 2.77Å; V122-Q126 WeakPolarHBondContact O-CB 3.44Å; V122-Q126 PolarHBondContact O-N 3.38Å
123	L	68.1	Low	61.7	Low	97 Å²	97	109.5 Å²	109.5	51%	0.508	55%	0.552	S	S	.	*	H	α-helix	trans	-62.5	-42.1	176.5	-74.3	167.1	0	0	0	112.3	E119 L120 Q126 Q127	E119-L123 WeakPolarHBondContact O-CG 3.45Å; E119-L123 PolarHBondContact O-N 3.17Å; L120-L123 PolarHBondContact O-N 2.92Å; L123-Q126 PolarHBondContact O-N 3.42Å; L123-Q127 WeakPolarHBondContact O-CB 3.3Å; L123-Q127 PolarHBondContact O-N 2.82Å
124	I	68.8	Low	60.3	Low	91 Å²	91	110.6 Å²	110.6	47%	0.467	56%	0.563	S	S	.	*	H	α-helix	trans	-61.5	-45.9	173.5	-71	169.5	0	0	0	110.7	L120 N121 Q126 Q127 Q128	L120-I124 HydrophobicContact CD2-CD1 3.66Å; L120-I124 WeakPolarHBondContact O-CG1 3.45Å; L120-I124 PolarHBondContact O-N 3.26Å; N121-I124 PolarHBondContact O-N 2.82Å; I124-Q126 VanDerWaalsContact C-N 3.32Å; I124-Q126 PolarHBondContact O-N 3.26Å; I124-Q127 PolarHBondContact O-N 2.96Å; I124-Q128 WeakPolarHBondContact O-CB 3.35Å; I124-Q128 PolarHBondContact O-N 3.49Å
125	W	59.3	Low	58.8	Low	191 Å²	191	108 Å²	108	72%	0.723	56%	0.56	S	S	*	*	H	α-helix	trans	-64.2	-37.5	179.9	-147.3	84.6	0	0	0	112.3	N121 V122 L129	N121-W125 WeakPolarHBondContact O-CB 3.34Å; N121-W125 PolarHBondContact O-N 2.69Å; V122-W125 PolarHBondContact O-N 2.77Å; W125-L129 HydrophobicContact CE3-CD1 3.76Å; W125-L129 HydrophobicContact CH2-CD1 4.39Å; W125-L129 HydrophobicContact CZ3-CD1 3.49Å; W125-L129 VanDerWaalsContact CZ3-CD1 3.49Å; W125-L129 HydrophobicContact CZ3-CG 4.37Å; W125-L129 PolarHBondContact O-N 2.99Å
126	Q	65.8	Low	57.1	Low	105 Å²	105	112.4 Å²	112.4	49%	0.491	58%	0.575	S	S	.	*	H	α-helix	trans	-69.5	-42.2	174.9	-169	164.6	25.6	0	0	111.9	V122 L123 I124 Q128 L129 Q130	V122-Q126 WeakPolarHBondContact O-CB 3.44Å; V122-Q126 PolarHBondContact O-N 3.38Å; L123-Q126 PolarHBondContact O-N 3.42Å; I124-Q126 VanDerWaalsContact C-N 3.32Å; I124-Q126 PolarHBondContact O-N 3.26Å; Q126-Q128 VanDerWaalsContact C-N 3.3Å; Q126-Q128 PolarHBondContact O-N 2.83Å; Q126-L129 WeakPolarHBondContact O-CB 3.41Å; Q126-L129 PolarHBondContact O-N 2.92Å; Q126-L129 VanDerWaalsContact O-N 3.11Å; Q126-Q130 PolarHBondContact O-N 3.22Å; Q126-Q130 PolarHBondContact O-OE1 2.9Å; Q126-Q130 VanDerWaalsContact O-OE1 3.06Å
127	Q	63.2	Low	55.4	Low	147 Å²	147	112.7 Å²	112.7	69%	0.687	59%	0.592	S	S	*	*	H	α-helix	trans	-64.1	-35.6	176	-167.7	167.8	16.6	0	0	112.2	L123 I124 L129 Q130 A131	L123-Q127 WeakPolarHBondContact O-CB 3.3Å; L123-Q127 PolarHBondContact O-N 2.82Å; I124-Q127 PolarHBondContact O-N 2.96Å; Q127-L129 VanDerWaalsContact C-N 3.33Å; Q127-L129 PolarHBondContact O-N 2.87Å; Q127-Q130 PolarHBondContact O-N 2.99Å; Q127-A131 PolarHBondContact O-N 2.81Å
128	Q	60.8	Low	54.2	Low	137 Å²	137	114.6 Å²	114.6	64%	0.64	60%	0.599	S	S	*	*	H	α-helix	trans	-61.9	-37.6	172.2	-162.7	76.9	2	0	0	112.2	I124 Q126	I124-Q128 WeakPolarHBondContact O-CB 3.35Å; I124-Q128 PolarHBondContact O-N 3.49Å; Q126-Q128 VanDerWaalsContact C-N 3.3Å; Q126-Q128 PolarHBondContact O-N 2.83Å
129	L	58.2	Low	52.3	Low	84 Å²	84	115.8 Å²	115.8	44%	0.44	61%	0.609	S	S	.	*	H	α-helix	trans	-70.6	-44.8	174.1	-89.4	169.2	0	0	0	112.7	W125 Q126 Q127 A131 Q132 H133	W125-L129 HydrophobicContact CE3-CD1 3.76Å; W125-L129 HydrophobicContact CH2-CD1 4.39Å; W125-L129 HydrophobicContact CZ3-CD1 3.49Å; W125-L129 VanDerWaalsContact CZ3-CD1 3.49Å; W125-L129 HydrophobicContact CZ3-CG 4.37Å; W125-L129 PolarHBondContact O-N 2.99Å; Q126-L129 WeakPolarHBondContact O-CB 3.41Å; Q126-L129 PolarHBondContact O-N 2.92Å; Q126-L129 VanDerWaalsContact O-N 3.11Å; Q127-L129 VanDerWaalsContact C-N 3.33Å; Q127-L129 PolarHBondContact O-N 2.87Å; L129-A131 PolarHBondContact O-N 3.38Å; L129-Q132 PolarHBondContact O-N 3.43Å; L129-Q132 VanDerWaalsContact O-N 3.08Å; L129-H133 PolarHBondContact O-N 2.81Å
130	Q	54.7	Low	50.8	Low	116 Å²	116	118.6 Å²	118.6	54%	0.542	63%	0.625	S	S	.	*	H	α-helix	trans	-55.8	-38.4	174.3	-114.6	81.1	16.4	0	0	111.6	Q126 Q127 Q132 H133 L134	Q126-Q130 PolarHBondContact O-N 3.22Å; Q126-Q130 PolarHBondContact O-OE1 2.9Å; Q126-Q130 VanDerWaalsContact O-OE1 3.06Å; Q127-Q130 PolarHBondContact O-N 2.99Å; Q130-Q132 VanDerWaalsContact C-N 3.32Å; Q130-Q132 PolarHBondContact O-N 2.91Å; Q130-H133 PolarHBondContact O-N 2.9Å; Q130-L134 PolarHBondContact O-N 3.32Å
131	A	51	Low	49.1	Very low	58 Å²	58	120.6 Å²	120.6	48%	0.479	64%	0.643	S	S	.	*	H	α-helix	trans	-64.5	-30.7	177.6	0	0	0	0	0	113.7	Q127 L129	Q127-A131 PolarHBondContact O-N 2.81Å; L129-A131 PolarHBondContact O-N 3.38Å
132	Q	45.6	Very low	47.6	Very low	137 Å²	137	122.3 Å²	122.3	64%	0.64	66%	0.657	S	S	*	*	H	α-helix	trans	-71.8	-38.8	175.6	-70.6	-164.2	-11	0	0	112.3	L129 Q130 L134 S135	L129-Q132 PolarHBondContact O-N 3.43Å; L129-Q132 VanDerWaalsContact O-N 3.08Å; Q130-Q132 VanDerWaalsContact C-N 3.32Å; Q130-Q132 PolarHBondContact O-N 2.91Å; Q132-L134 VanDerWaalsContact C-N 3.25Å; Q132-L134 PolarHBondContact O-N 2.89Å; Q132-S135 WeakPolarHBondContact O-CB 3.01Å; Q132-S135 PolarHBondContact O-N 3.39Å; Q132-S135 PolarHBondContact O-OG 2.93Å
133	H	40.9	Very low	45.8	Very low	172 Å²	172	122.9 Å²	122.9	80%	0.796	66%	0.662	S	S	*	*	H	α-helix	trans	-65.7	-25.9	177.3	-100.4	-81.9	0	0	0	113.9	L129 Q130 S135	L129-H133 PolarHBondContact O-N 2.81Å; Q130-H133 PolarHBondContact O-N 2.9Å; H133-S135 VanDerWaalsContact C-N 3.26Å; H133-S135 PolarHBondContact O-N 2.93Å
134	L	42.3	Very low	43.7	Very low	150 Å²	150	125.4 Å²	125.4	79%	0.785	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-8	176.1	-75.4	163.1	0	0	0	114.2	Q130 Q132	Q130-L134 PolarHBondContact O-N 3.32Å; Q132-L134 VanDerWaalsContact C-N 3.25Å; Q132-L134 PolarHBondContact O-N 2.89Å
135	S	35.7	Very low	41.8	Very low	80 Å²	80	126.7 Å²	126.7	56%	0.559	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-15.6	-178.4	68.3	0	0	0	0	115	Q132 H133	Q132-S135 WeakPolarHBondContact O-CB 3.01Å; Q132-S135 PolarHBondContact O-N 3.39Å; Q132-S135 PolarHBondContact O-OG 2.93Å; H133-S135 VanDerWaalsContact C-N 3.26Å; H133-S135 PolarHBondContact O-N 2.93Å
136	H	33	Very low	40.5	Very low	160 Å²	160	123.4 Å²	123.4	74%	0.741	69%	0.691	S	S	*	*			trans	-111.5	65.6	-174.3	-76.4	72	0	0	0	111.9	H138	H136-H138 PolarHBondContact O-N 3.48Å
137	G	26.9	Very low	38.7	Very low	76 Å²	76	127.1 Å²	127.1	78%	0.784	71%	0.708	S	S	*	*			trans	-76.8	104.4	176.1	0	0	0	0	0	112.9
138	H	30.1	Very low	37.4	Very low	180 Å²	180	125.7 Å²	125.7	83%	0.833	71%	0.711	S	S	*	*			trans	-120.4	120.2	164.9	-90.2	-62.3	0	0	0	111.8	H136	H136-H138 PolarHBondContact O-N 3.48Å
139	A	26.1	Very low	35.7	Very low	92 Å²	92	124 Å²	124	76%	0.76	72%	0.72	S	S	*	*			trans	41.6	112.2	159	0	0	0	0	0	119.7
140	I	35.6	Very low	34.1	Very low	157 Å²	157	123.4 Å²	123.4	81%	0.805	74%	0.735	S	S	*	*			trans	-72.5	135.7	160.7	-62.3	167.2	0	0	0	109.7	V142	I140-V142 HydrophobicContact CG2-CG2 3.96Å
141	P	30.3	Very low	33	Very low	119 Å²	119	126.8 Å²	126.8	77%	0.773	76%	0.756	S	S	*	*			trans	-123.4	143	130.2	-1.5	22.6	0	0	0	113.3
142	V	31.9	Very low	31.9	Very low	127 Å²	127	133 Å²	133	77%	0.77	78%	0.775	S	S	*	*			trans	-93	133.6	172.9	166.8	0	0	0	0	108.3	I140	I140-V142 HydrophobicContact CG2-CG2 3.96Å
143	P	33.6	Very low	32.1	Very low	105 Å²	105	131.7 Å²	131.7	68%	0.682	78%	0.778	S	S	*	*				-156.9	153.7	102.4	38.8	-18.7	0	0	0	119.5
144	L	24.2	Very low	32.3	Very low	150 Å²	150	128.6 Å²	128.6	79%	0.785	77%	0.773	S	S	*	*			trans	62.6	121.9	140.3	-66.5	167.3	0	0	0	123
145	T	27.8	Very low	31.6	Very low	118 Å²	118	129.3 Å²	129.3	72%	0.724	78%	0.777	S	S	*	*			trans	21.8	153	133.1	59.5	0	0	0	0	122.9
146	P	33.9	Very low	32.3	Very low	121 Å²	121	130.7 Å²	130.7	79%	0.786	78%	0.784	S	S	*	*			cis	-137.4	-164	-16.2	39.3	-18.3	0	0	0	114.5
147	H	26.8	Very low	32.7	Very low	183 Å²	183	129 Å²	129	85%	0.847	79%	0.787	S	S	*	*			trans	-57.1	150.4	168.5	-74.1	-72.5	0	0	0	113.9
148	P	35.7	Very low	32.6	Very low	117 Å²	117	129.2 Å²	129.2	76%	0.76	79%	0.79	S	S	*	*				-131.6	150.6	76	14.8	8.9	0	0	0	113.9
149	A	25	Very low	32.4	Very low	101 Å²	101	125 Å²	125	84%	0.835	79%	0.785	S	S	*	*				61.7	115.7	74.3	0	0	0	0	0	115.2
150	G	25.3	Very low	32.4	Very low	72 Å²	72	125.9 Å²	125.9	74%	0.742	79%	0.787	S	S	*	*			trans	177	76.1	-179.6	0	0	0	0	0	119.1
151	L	30.4	Very low	32.2	Very low	188 Å²	188	124.7 Å²	124.7	98%	0.984	79%	0.786	S	S	*	*			trans	63.2	168.5	145.6	-66.4	168.1	0	0	0	122
152	Q	28.4	Very low	32.2	Very low	188 Å²	188	123.1 Å²	123.1	88%	0.879	78%	0.784	S	S	*	*			trans	-97	171.7	-166.4	-101.7	-179	-24.8	0	0	114.1
153	P	50.2	Low	32.1	Very low	110 Å²	110	122.8 Å²	122.8	71%	0.714	79%	0.787	S	S	*	*			trans	-89.2	-173.9	-170.5	41.6	-40.2	0	0	0	112.8
154	P	44.4	Very low	31.9	Very low	106 Å²	106	125.3 Å²	125.3	69%	0.688	79%	0.794	S	S	*	*				-157.2	160.4	88.1	41.1	-21.4	0	0	0	119.3
155	L	29.3	Very low	32.3	Very low	166 Å²	166	125.5 Å²	125.5	87%	0.869	80%	0.795	S	S	*	*			trans	67.6	155.3	143.3	-70.9	164.4	0	0	0	123
156	P	48.7	Very low	32.4	Very low	108 Å²	108	123.8 Å²	123.8	70%	0.701	79%	0.793	S	S	*	*			trans	-102.3	-177.9	180	44.1	-37.8	0	0	0	112.9
157	P	41.4	Very low	32.1	Very low	125 Å²	125	125.2 Å²	125.2	81%	0.812	79%	0.793	S	S	*	*				-158	159.3	93.1	40.6	-21.7	0	0	0	118.6
158	G	26.1	Very low	32.2	Very low	81 Å²	81	121.4 Å²	121.4	84%	0.835	79%	0.787	S	S	*	*			trans	70.3	171.4	149.2	0	0	0	0	0	119.2
159	A	26.4	Very low	31.7	Very low	90 Å²	90	120.5 Å²	120.5	74%	0.744	78%	0.783	S	S	*	*			cis	-165.1	162.3	-17.3	0	0	0	0	0	110.1
160	S	25.7	Very low	31.8	Very low	112 Å²	112	120.1 Å²	120.1	78%	0.783	78%	0.78	S	S	*	*			trans	68.1	153.4	161.7	-57.8	0	0	0	0	117
161	T	30.2	Very low	32.1	Very low	131 Å²	131	123.6 Å²	123.6	80%	0.804	78%	0.781	S	S	*	*			cis	-156.1	170.9	-8.1	7.2	0	0	0	0	110.6
162	A	30.1	Very low	31.8	Very low	86 Å²	86	119.3 Å²	119.3	71%	0.711	77%	0.766	S	S	*	*			trans	-12.6	145.8	161.7	0	0	0	0	0	118.3
163	S	29.7	Very low	31.8	Very low	120 Å²	120	118 Å²	118	84%	0.839	76%	0.76	S	S	*	*				-161.3	169.1	77.4	-71.7	0	0	0	0	116.9
164	L	30.2	Very low	30.7	Very low	159 Å²	159	120.9 Å²	120.9	83%	0.832	76%	0.764	S	S	*	*			trans	-77.1	176.1	-168.4	-62.6	158	0	0	0	115.8
165	L	32.8	Very low	29.8	Very low	154 Å²	154	124.2 Å²	124.2	81%	0.806	78%	0.775	S	S	*	*			trans	104.3	114.5	150.8	-55.7	-175.1	0	0	0	119
166	A	29.2	Very low	30	Very low	82 Å²	82	122 Å²	122	68%	0.678	77%	0.77	S	S	*	*				34.9	145.4	102	0	0	0	0	0	119
167	L	29.3	Very low	28.9	Very low	151 Å²	151	125.2 Å²	125.2	79%	0.791	78%	0.781	S	S	*	*			cis	-167.4	161	10.4	-120.2	166.3	0	0	0	109.7
168	S	27.5	Very low	28.1	Very low	102 Å²	102	129.1 Å²	129.1	71%	0.713	79%	0.785	S	S	*	*			trans	61.7	-178.4	153.1	-69.6	0	0	0	0	119
169	S	26	Very low	28.2	Very low	99 Å²	99	131.3 Å²	131.3	69%	0.692	78%	0.778	S	S	*	*				-172.1	149.3	-58.3	64.5	0	0	0	0	110.4
170	A	27.3	Very low	28	Very low	92 Å²	92	135.2 Å²	135.2	76%	0.76	78%	0.781	S	S	*	*			trans	66	174	164.2	0	0	0	0	0	115.1
171	L	30	Very low	28.1	Very low	146 Å²	146	139.7 Å²	139.7	76%	0.764	78%	0.78	S	S	*	*			cis	-162.7	148.2	-4.5	-140.1	165.5	0	0	0	108.4
172	S	25.4	Very low	27.8	Very low	97 Å²	97	143.1 Å²	143.1	68%	0.678	78%	0.784	S	S	*	*			trans	58.5	167.4	153.4	56.8	0	0	0	0	119.3
173	H	28.5	Very low	27.7	Very low	162 Å²	162	147.5 Å²	147.5	75%	0.75	79%	0.789	S	S	*	*			cis	-157.2	167	-37.1	-119.7	-82.7	0	0	0	106.6
174	Q	26	Very low	27.5	Very low	170 Å²	170	150.1 Å²	150.1	79%	0.794	79%	0.788	S	S	*	*			trans	25.4	126.3	151.8	-71.9	174.4	-36.7	0	0	121.1
175	L	25.6	Very low	27.3	Very low	175 Å²	175	150.4 Å²	150.4	92%	0.916	79%	0.785	S	S	*	*			trans	-128.8	153.9	142.3	-78.6	177.6	0	0	0	110.9
176	P	34.3	Very low	26.8	Very low	119 Å²	119	151 Å²	151	77%	0.773	79%	0.789	S	S	*	*			trans	-109.2	172.3	-162.6	41.2	-35.1	0	0	0	115.3
177	L	26.5	Very low	26.6	Very low	176 Å²	176	153.1 Å²	153.1	92%	0.921	79%	0.789	S	S	*	*			trans	-69.8	138.1	166.5	-67.3	162.1	0	0	0	112
178	K	24.2	Very low	26.6	Very low	207 Å²	207	151.5 Å²	151.5	90%	0.9	79%	0.79	S	S	*	*			trans	-154.7	146	130.3	-155.7	168.6	177.8	-176.3	0	113.1
179	D	26.6	Very low	26.5	Very low	128 Å²	128	153.9 Å²	153.9	68%	0.684	79%	0.79	S	S	*	*			trans	-91.7	148.5	177.9	171.6	38.4	0	0	0	111.9
180	E	24	Very low	26.6	Very low	172 Å²	172	157 Å²	157	80%	0.804	79%	0.793	S	S	*	*			trans	-159.3	150.2	165.9	-107.8	-84	60.4	0	0	111.2
181	R	27.2	Very low	26.6	Very low	205 Å²	205	158.8 Å²	158.8	77%	0.774	80%	0.795	S	S	*	*			trans	-103.1	154.1	-162.5	-61	156.7	164	169.6	-9.3	113.6
182	K	23.8	Very low	26.4	Very low	204 Å²	204	162.3 Å²	162.3	89%	0.887	80%	0.798	S	S	*	*				177.3	150	110.9	-96.7	161.4	-176	173.6	0	114.6
183	H	27.5	Very low	26.5	Very low	177 Å²	177	163.5 Å²	163.5	82%	0.819	80%	0.797	S	S	*	*			trans	-98.2	145.5	162.4	-77.3	-102.4	0	0	0	110.8
184	H	26.7	Very low	26.4	Very low	175 Å²	175	165.3 Å²	165.3	81%	0.81	80%	0.798	S	S	*	*			trans	-153.3	119.4	133.9	-99.5	45.9	0	0	0	104.2
185	E	24.4	Very low	26.4	Very low	166 Å²	166	162.5 Å²	162.5	78%	0.776	79%	0.788	S	S	*	*				57.3	114.8	78.7	-69.7	-149.2	141.7	0	0	114.3
186	N	23.6	Very low	26.6	Very low	166 Å²	166	159 Å²	159	89%	0.888	78%	0.778	S	S	*	*				-152.2	166.2	111.8	-138	-30.6	0	0	0	112.3
187	N	24.5	Very low	26.3	Very low	127 Å²	127	159 Å²	159	68%	0.679	78%	0.775	S	S	*	*			trans	-118	158.9	-166.3	-174.9	26.2	0	0	0	111.9
188	S	28.2	Very low	26.4	Very low	116 Å²	116	159 Å²	159	81%	0.811	77%	0.768	S	S	*	*			trans	-175.9	161.4	156.5	22.2	0	0	0	0	112.4
189	E	26.9	Very low	26.5	Very low	153 Å²	153	154.1 Å²	154.1	72%	0.715	76%	0.76	S	S	*	*			trans	-123	170.2	-155.2	-57.8	164.3	94.4	0	0	115.2
190	H	27.8	Very low	26.6	Very low	163 Å²	163	153.3 Å²	153.3	76%	0.755	76%	0.764	S	S	*	*			trans	50.8	113.4	145.3	-76.8	-50	0	0	0	122.1
191	T	27.4	Very low	26.7	Very low	131 Å²	131	149.8 Å²	149.8	80%	0.804	76%	0.758	S	S	*	*				-173	125.4	120.4	21	0	0	0	0	107.6
192	R	26	Very low	26.7	Very low	219 Å²	219	146.4 Å²	146.4	83%	0.826	76%	0.761	S	S	*	*				78.4	139.8	71.9	-81.8	-162.6	-177.9	-179.5	3.6	114.9
193	D	26	Very low	27.1	Very low	122 Å²	122	142 Å²	142	65%	0.652	76%	0.755	S	S	*	*			trans	68.8	127.4	165.7	-70	-67.4	0	0	0	116.1
194	R	26.3	Very low	27.7	Very low	201 Å²	201	139.5 Å²	139.5	76%	0.758	76%	0.755	S	S	*	*				84.9	140.5	52.2	174.1	-167.4	160.2	-151.6	-10.4	110.5
195	D	27.2	Very low	27.8	Very low	111 Å²	111	136.9 Å²	136.9	59%	0.594	76%	0.756	S	S	*	*			cis	-125.8	148.8	14.6	-104.9	-47.9	0	0	0	109.4
196	S	28.6	Very low	27.9	Very low	100 Å²	100	133.6 Å²	133.6	70%	0.699	76%	0.757	S	S	*	*				81.7	146.2	68.8	-161.5	0	0	0	0	116.6
197	V	29	Very low	28.1	Very low	120 Å²	120	130 Å²	130	73%	0.727	75%	0.745	S	S	*	*			trans	100.2	120.3	164	-178.8	0	0	0	0	116.3
198	K	27.8	Very low	28.1	Very low	177 Å²	177	133.7 Å²	133.7	77%	0.77	76%	0.756	S	S	*	*			cis	-166.5	152.8	-4.5	-120.5	-179.5	-163.7	169.4	0	111.8
199	S	27.6	Very low	28.2	Very low	104 Å²	104	139.6 Å²	139.6	73%	0.727	76%	0.76	S	S	*	*			trans	46.5	150.9	145.6	61	0	0	0	0	122.1
200	S	27.5	Very low	28.2	Very low	110 Å²	110	137.4 Å²	137.4	77%	0.769	77%	0.768	S	S	*	*			cis	-170.8	176.3	-10.7	51.3	0	0	0	0	106.5
201	S	27.7	Very low	28.1	Very low	98 Å²	98	133.1 Å²	133.1	69%	0.685	77%	0.768	S	S	*	*			cis	-155.9	141.3	21	55.6	0	0	0	0	111
202	V	25.8	Very low	28	Very low	135 Å²	135	134.1 Å²	134.1	82%	0.818	76%	0.763	S	S	*	*				68.5	113.1	104.5	-175.6	0	0	0	0	117.3
203	S	33.6	Very low	28.1	Very low	111 Å²	111	131 Å²	131	78%	0.776	76%	0.756	S	S	*	*			trans	-91.7	165	156	-41.4	0	0	0	0	110.5
204	P	39.6	Very low	28.2	Very low	125 Å²	125	133.2 Å²	133.2	81%	0.812	76%	0.762	S	S	*	*				-154.8	162	106.4	38.2	-19.6	0	0	0	119.4
205	S	27.9	Very low	28.1	Very low	120 Å²	120	133.9 Å²	133.9	84%	0.839	77%	0.765	S	S	*	*			trans	-44.5	153.2	167.1	-40.3	0	0	0	0	121.1
206	A	27.3	Very low	28	Very low	97 Å²	97	133.9 Å²	133.9	80%	0.802	77%	0.773	S	S	*	*			trans	-173.1	119	139.3	0	0	0	0	0	109.5
207	S	27.3	Very low	27.8	Very low	90 Å²	90	134.6 Å²	134.6	63%	0.629	78%	0.778	S	S	*	*				87.6	118.4	70.6	-179.6	0	0	0	0	115.2
208	F	24.5	Very low	27.7	Very low	205 Å²	205	133.1 Å²	133.1	90%	0.899	77%	0.773	S	S	*	*				-172.1	-179.5	116.2	-95.7	-62.1	0	0	0	112.4
209	R	30.2	Very low	27.5	Very low	240 Å²	240	132.1 Å²	132.1	91%	0.906	78%	0.776	S	S	*	*			trans	-147	169.9	-152.3	-91.5	-174.2	171	-169.1	-0.5	116.4
210	A	26.5	Very low	27.3	Very low	107 Å²	107	137 Å²	137	88%	0.884	79%	0.785	S	S	*	*			trans	79.8	145.2	162.7	0	0	0	0	0	117.1
211	G	27.3	Very low	27.1	Very low	73 Å²	73	136.5 Å²	136.5	75%	0.753	78%	0.782	S	S	*	*			cis	-168.6	-175.8	-2.3	0	0	0	0	0	110.7
212	E	24.4	Very low	26.9	Very low	151 Å²	151	137.5 Å²	137.5	71%	0.706	79%	0.788	S	S	*	*			cis	-144	-95.4	0.9	-126.3	-70.4	113.2	0	0	112.5
213	K	29	Very low	26.8	Very low	154 Å²	154	139.7 Å²	139.7	67%	0.67	79%	0.79	S	S	*	*			trans	-154.8	153.3	-170.1	-60	177.6	-169.2	93.3	0	115.2
214	H	26.3	Very low	26.5	Very low	169 Å²	169	140.4 Å²	140.4	78%	0.782	79%	0.794	S	S	*	*				-167.6	112.3	120.2	-118.2	-96.9	0	0	0	116
215	R	25.8	Very low	25.8	Very low	215 Å²	215	144 Å²	144	81%	0.811	80%	0.797	S	S	*	*			trans	40.4	101.6	147.9	-71.2	-172.4	175.2	169.3	-0.3	124
216	S	24	Very low	25.8	Very low	110 Å²	110	147.8 Å²	147.8	77%	0.769	80%	0.799	S	S	*	*				77.2	132.6	110.6	68.9	0	0	0	0	125
217	S	25.2	Very low	25.8	Very low	116 Å²	116	152.7 Å²	152.7	81%	0.811	81%	0.805	S	S	*	*			trans	76.9	134.7	153.7	-136.3	0	0	0	0	118.2
218	S	26.1	Very low	25.6	Very low	88 Å²	88	155.9 Å²	155.9	62%	0.615	81%	0.807	S	S	*	*			cis	-163.1	150.4	-19.4	43.8	0	0	0	0	110.2
219	D	23.5	Very low	25.7	Very low	156 Å²	156	152.9 Å²	152.9	83%	0.834	81%	0.806	S	S	*	*				175.3	164.7	114.5	-84.4	-10.8	0	0	0	111.5
220	F	23.6	Very low	25.5	Very low	206 Å²	206	146.8 Å²	146.8	90%	0.904	79%	0.792	S	S	*	*			trans	-96.5	142.8	-160.4	-111.7	-101.4	0	0	0	114.8
221	S	22.9	Very low	25.6	Very low	101 Å²	101	148.2 Å²	148.2	71%	0.706	79%	0.785	S	S	*	*			trans	-88.2	149.3	160.9	57.9	0	0	0	0	111.7
222	S	23.7	Very low	25.8	Very low	118 Å²	118	152.4 Å²	152.4	83%	0.825	78%	0.782	S	S	*	*			trans	-169	145	133.8	53.4	0	0	0	0	114.1
223	E	24.3	Very low	25.9	Very low	182 Å²	182	152.7 Å²	152.7	85%	0.85	78%	0.783	S	S	*	*			trans	-74.6	168.7	152.9	-57.2	169.2	78	0	0	110.2
224	S	27.2	Very low	25.7	Very low	125 Å²	125	151.6 Å²	151.6	87%	0.874	78%	0.784	S	S	*	*				-174.7	157.4	124.3	-86.7	0	0	0	0	113.9
225	K	25.2	Very low	25.7	Very low	200 Å²	200	149.2 Å²	149.2	87%	0.87	78%	0.782	S	S	*	*			trans	-91	151.1	174.9	-74.7	169.2	178.1	163	0	112.1
226	K	28.3	Very low	25.7	Very low	201 Å²	201	144.1 Å²	144.1	87%	0.874	78%	0.779	S	S	*	*			trans	9.8	130.8	149.1	-56.9	179.4	178.2	-176.4	0	118.1
227	Q	25.8	Very low	25.7	Very low	200 Å²	200	143.9 Å²	143.9	94%	0.935	78%	0.777	S	S	*	*				-154.2	158.3	104.9	-163.6	143.5	-35.4	0	0	112.5
228	K	24.9	Very low	25.8	Very low	156 Å²	156	148 Å²	148	68%	0.678	78%	0.775	S	S	*	*			trans	-90.9	144.1	-166.6	167	-166	179	-178	0	113.8	D230	K228-D230 WeakPolarHBondContact CE-OD2 3.3Å; K228-D230 IonicContact NZ-OD2 2.75Å; K228-D230 PolarHBondContact NZ-OD2 2.9Å; K228-D230 VanDerWaalsContact NZ-OD2 3.13Å
229	T	24.8	Very low	25.9	Very low	142 Å²	142	152.7 Å²	152.7	87%	0.871	78%	0.78	S	S	*	*			trans	-145.5	143.7	141.4	-37	0	0	0	0	109.5
230	D	27.6	Very low	26	Very low	113 Å²	113	154 Å²	154	60%	0.604	78%	0.779	S	S	*	*			trans	-103.1	151.4	173.3	-59.5	-69.6	0	0	0	110.3	K228	K228-D230 WeakPolarHBondContact CE-OD2 3.3Å; K228-D230 IonicContact NZ-OD2 2.75Å; K228-D230 PolarHBondContact NZ-OD2 2.9Å; K228-D230 VanDerWaalsContact NZ-OD2 3.13Å
231	D	28.3	Very low	26.3	Very low	137 Å²	137	149.2 Å²	149.2	73%	0.733	77%	0.771	S	S	*	*				-169.4	142.8	116.2	-124.7	-23.1	0	0	0	115.2
232	K	30.3	Very low	26.7	Very low	160 Å²	160	156.5 Å²	156.5	70%	0.696	78%	0.783	S	S	*	*			trans	42.7	120.2	151.1	-77.1	167.9	-171.6	171.8	0	125.7
233	E	26.4	Very low	27.1	Very low	157 Å²	157	154 Å²	154	73%	0.734	78%	0.776	S	S	*	*				110.5	140.4	113.6	-88.9	-174.2	117.9	0	0	123.7
234	L	25.8	Very low	27.5	Very low	132 Å²	132	155.1 Å²	155.1	69%	0.691	78%	0.778	S	S	*	*			trans	60.6	88.1	150.2	-65.8	165.9	0	0	0	120.4
235	T	26.3	Very low	27.7	Very low	119 Å²	119	157 Å²	157	73%	0.73	77%	0.77	S	S	*	*				24.2	118.1	122.1	57.8	0	0	0	0	119.1
236	S	25	Very low	28.3	Very low	108 Å²	108	152 Å²	152	76%	0.755	76%	0.76	S	S	*	*				170.7	125.7	100.8	51.6	0	0	0	0	116.4
237	S	24.1	Very low	28.8	Very low	105 Å²	105	148.6 Å²	148.6	73%	0.734	75%	0.752	S	S	*	*			trans	74.4	138	135.8	89	0	0	0	0	123.2
238	R	27.4	Very low	29.1	Very low	201 Å²	201	145.3 Å²	145.3	76%	0.758	74%	0.741	S	S	*	*				98.5	112.9	119.2	-174.9	173.7	-85.5	-152	-3.2	122
239	Y	28.6	Very low	29.5	Very low	187 Å²	187	143.5 Å²	143.5	73%	0.733	74%	0.738	S	S	*	*			trans	66.5	157.6	153	-73.4	-40.9	0	0	0	119
240	K	25.8	Very low	30.1	Very low	185 Å²	185	143.8 Å²	143.8	80%	0.804	73%	0.734	S	S	*	*			cis	-137.7	149.2	1.9	-106.2	136.6	176.2	-176.1	0	107.1
241	S	30.7	Very low	30.4	Very low	104 Å²	104	144.4 Å²	144.4	73%	0.727	74%	0.741	S	S	*	*			cis	84.7	99.7	41.3	-172.2	0	0	0	0	116.5
242	R	30.6	Very low	30.7	Very low	254 Å²	254	143.4 Å²	143.4	96%	0.958	74%	0.74	S	S	*	*			trans	-179.5	141.2	149.5	-114.4	178.2	169.1	174.3	-4.5	110.4
243	G	31.5	Very low	30.7	Very low	66 Å²	66	142.3 Å²	142.3	68%	0.68	74%	0.742	S	S	*	*			cis	147.1	121.2	-23.5	0	0	0	0	0	116.1
244	K	33.3	Very low	31	Very low	205 Å²	205	140.9 Å²	140.9	89%	0.891	74%	0.744	S	S	*	*			trans	76.4	153.6	165.5	-62.5	-173.6	174.5	-177.5	0	116.4
245	K	30.7	Very low	31.4	Very low	164 Å²	164	140 Å²	140	71%	0.713	75%	0.749	S	S	*	*			cis	-159.2	178.7	5.1	-139.5	-165.7	169.1	-150	0	113.1
246	S	38.5	Very low	31.8	Very low	95 Å²	95	140.8 Å²	140.8	66%	0.664	75%	0.748	S	S	*	*			trans	77.5	120.9	169.7	-1.4	0	0	0	0	114
247	D	38.1	Very low	32	Very low	130 Å²	130	144.5 Å²	144.5	70%	0.695	75%	0.754	S	S	*	*			cis	71.7	135.1	29.5	-31.4	-48.9	0	0	0	111.4
248	D	33.3	Very low	32.2	Very low	131 Å²	131	146.2 Å²	146.2	70%	0.701	76%	0.755	S	S	*	*			cis	-164.6	169.4	21	-164.2	13.9	0	0	0	114.7
249	N	33	Very low	33.5	Very low	118 Å²	118	141.5 Å²	141.5	63%	0.631	75%	0.75	S	S	*	*			trans	73	129.9	169.4	-60.1	-79.3	0	0	0	118.8
250	L	36.2	Very low	33.5	Very low	149 Å²	149	139.3 Å²	139.3	78%	0.78	76%	0.756	S	S	*	*			cis	80.9	135	48.6	-68.6	161.6	0	0	0	112.2
251	V	33.8	Very low	33.9	Very low	125 Å²	125	135.8 Å²	135.8	76%	0.758	76%	0.755	S	S	*	*			cis	-149.1	175.8	39.9	169.3	0	0	0	0	112.4
252	V	35.8	Very low	34.8	Very low	117 Å²	117	136.2 Å²	136.2	71%	0.709	76%	0.755	S	S	*	*			trans	-42.2	165.3	179.6	-49.3	0	0	0	0	117.4
253	D	30.3	Very low	34.7	Very low	136 Å²	136	136 Å²	136	73%	0.727	75%	0.754	S	S	*	*				-157.8	155.4	55.5	-132.7	-25.6	0	0	0	117.9
254	V	32.5	Very low	34.5	Very low	128 Å²	128	136.7 Å²	136.7	78%	0.776	76%	0.761	S	S	*	*			trans	-144.9	121.4	170.9	175.6	0	0	0	0	108.8
255	S	34	Very low	34.1	Very low	114 Å²	114	132.7 Å²	132.7	80%	0.797	76%	0.759	S	S	*	*			trans	-100.6	118.6	175.7	-50.6	0	0	0	0	111.5
256	N	34.5	Very low	34.5	Very low	135 Å²	135	130.5 Å²	130.5	72%	0.722	76%	0.762	S	S	*	*			trans	-75.4	161.4	160.6	-88.2	10.9	0	0	0	110.7
257	E	29.5	Very low	34	Very low	186 Å²	186	129.9 Å²	129.9	87%	0.869	76%	0.763	S	S	*	*				-170	137.4	122.6	-94.9	-74.8	76.1	0	0	108.2
258	D	28.5	Very low	33.5	Very low	141 Å²	141	132.1 Å²	132.1	75%	0.754	77%	0.769	S	S	*	*			trans	-102.8	-147.5	-178.1	-93.6	-61.2	0	0	0	110.8
259	P	54.2	Low	33.3	Very low	101 Å²	101	130.3 Å²	130.3	66%	0.656	77%	0.766	S	S	*	*				-123.6	177	-93	39.6	-25.6	0	0	0	113.2
260	T	28.2	Very low	34.3	Very low	141 Å²	141	130.1 Å²	130.1	87%	0.865	77%	0.771	S	S	*	*				-179.4	163.5	127.4	25.5	0	0	0	0	114.8
261	S	34	Very low	34	Very low	112 Å²	112	133.9 Å²	133.9	78%	0.783	78%	0.775	S	S	*	*			trans	-152.8	170.6	172.5	-81.6	0	0	0	0	106.1
262	P	49.5	Very low	33.7	Very low	112 Å²	112	136.1 Å²	136.1	73%	0.727	78%	0.777	S	S	*	*			cis	-153.8	-174.8	30.3	44.1	-22.5	0	0	0	119.1
263	R	29.1	Very low	33.4	Very low	250 Å²	250	138.3 Å²	138.3	94%	0.943	79%	0.785	S	S	*	*			trans	69.8	128.3	147.3	-89.2	-180	167.4	-174.3	-3.7	121.1
264	G	27.1	Very low	33.3	Very low	80 Å²	80	134.8 Å²	134.8	83%	0.825	78%	0.781	S	S	*	*			trans	165.7	90.4	159	0	0	0	0	0	115
265	S	26.5	Very low	33.4	Very low	121 Å²	121	136.4 Å²	136.4	85%	0.846	78%	0.784	S	S	*	*			trans	-88.9	174.5	171.1	-36.5	0	0	0	0	111
266	P	39.1	Very low	33.1	Very low	118 Å²	118	136.3 Å²	136.3	77%	0.766	78%	0.775	S	S	*	*			cis	-143	-172.4	3.8	43.4	-24.1	0	0	0	117.1
267	A	26	Very low	32.8	Very low	83 Å²	83	138.1 Å²	138.1	69%	0.686	78%	0.776	S	S	*	*			trans	86.2	122.8	142.2	0	0	0	0	0	124
268	H	27.9	Very low	32.7	Very low	177 Å²	177	134.9 Å²	134.9	82%	0.819	77%	0.774	S	S	*	*			trans	49.3	101.7	137.2	-75	-73.8	0	0	0	124.2
269	S	30.6	Very low	32.6	Very low	92 Å²	92	139 Å²	139	64%	0.643	78%	0.779	S	S	*	*				34.3	158.2	105.9	69.6	0	0	0	0	122.6
270	P	53.1	Low	31.3	Very low	115 Å²	115	141 Å²	141	75%	0.747	78%	0.784	S	S	*	*			cis	-139.3	-149.1	-35.7	40.9	-21.1	0	0	0	111.9
271	R	29.4	Very low	31.3	Very low	227 Å²	227	141.7 Å²	141.7	86%	0.857	78%	0.781	S	S	*	*			trans	75.1	158.1	-177	-83.4	-176.1	161.2	127.6	-5	114.7
272	E	28.4	Very low	31	Very low	173 Å²	173	145 Å²	145	81%	0.808	78%	0.781	S	S	*	*			cis	-136	-175.7	7.7	-148.5	159.9	164.6	0	0	113.5
273	N	28.8	Very low	30.1	Very low	163 Å²	163	147.8 Å²	147.8	87%	0.872	78%	0.782	S	S	*	*			trans	-126.6	138.9	-171.6	-172.1	22.3	0	0	0	110.4
274	G	29.2	Very low	29.9	Very low	62 Å²	62	142.6 Å²	142.6	64%	0.639	77%	0.773	S	S	*	*			trans	134.6	128.7	156.1	0	0	0	0	0	120.6
275	L	34.5	Very low	30.1	Very low	162 Å²	162	142.7 Å²	142.7	85%	0.848	77%	0.766	S	S	*	*			trans	80.6	99	130.9	-60.5	175	0	0	0	123
276	D	27.7	Very low	31.4	Very low	111 Å²	111	142.3 Å²	142.3	59%	0.594	76%	0.761	S	S	*	*				78.9	120.4	113.5	-97.5	-8.3	0	0	0	125.4
277	K	28.7	Very low	30.9	Very low	174 Å²	174	144.8 Å²	144.8	76%	0.757	77%	0.767	S	S	*	*			trans	67.5	108.6	132.2	-68.2	163.1	-172.7	148.8	0	123.1
278	S	25.7	Very low	31.2	Very low	117 Å²	117	146 Å²	146	82%	0.818	77%	0.77	S	S	*	*				179.4	135.3	118.9	47.9	0	0	0	0	109.2
279	R	26.9	Very low	32.3	Very low	228 Å²	228	143.2 Å²	143.2	86%	0.86	77%	0.768	S	S	*	*				55.1	120.2	57.2	-84.6	-168.2	178.1	-169.6	1.4	112.5
280	L	27.1	Very low	32.5	Very low	144 Å²	144	143.5 Å²	143.5	75%	0.754	77%	0.769	S	S	*	*			cis	-144.5	167.6	16.6	-77.5	121.3	0	0	0	110.2
281	L	27.8	Very low	31.5	Very low	154 Å²	154	143 Å²	143	81%	0.806	77%	0.769	S	S	*	*				-170.8	161.5	80.2	-89.5	168.6	0	0	0	114.8
282	K	27.2	Very low	31.5	Very low	181 Å²	181	140.4 Å²	140.4	79%	0.787	77%	0.77	S	S	*	*			trans	-18.6	138.9	175.5	-67.5	174.6	-179.2	178.3	0	119.1
283	K	30.6	Very low	31.4	Very low	172 Å²	172	136.1 Å²	136.1	75%	0.748	77%	0.765	S	S	*	*				81.1	124.9	50.6	-178.7	-178.7	166.6	172.2	0	111.1
284	D	24.9	Very low	31.5	Very low	141 Å²	141	133.8 Å²	133.8	75%	0.754	76%	0.761	S	S	*	*				-138.3	176.6	69.8	-103.5	-65.8	0	0	0	118.3
285	A	32.9	Very low	31.7	Very low	82 Å²	82	135.7 Å²	135.7	68%	0.678	76%	0.764	S	S	*	*			trans	-126.3	-171.3	-172.4	0	0	0	0	0	112
286	P	52	Low	31.5	Very low	113 Å²	113	133.3 Å²	133.3	73%	0.734	76%	0.761	S	S	*	*				-156	155.5	66.8	38.4	-15.3	0	0	0	120.8
287	L	29.6	Very low	31.7	Very low	170 Å²	170	133.6 Å²	133.6	89%	0.89	77%	0.772	S	S	*	*			trans	75.1	160.8	143	-68.6	167.2	0	0	0	123.9
288	S	33.3	Very low	32.1	Very low	108 Å²	108	131.5 Å²	131.5	76%	0.755	77%	0.774	S	S	*	*			trans	-141.4	178.3	-173.8	-44.5	0	0	0	0	110.2
289	P	51	Low	33	Very low	119 Å²	119	131.7 Å²	131.7	77%	0.773	77%	0.772	S	S	*	*				-163	166.2	101.9	43.5	-23.6	0	0	0	120.4
290	S	33	Very low	33.4	Very low	97 Å²	97	125.9 Å²	125.9	68%	0.678	77%	0.767	S	S	*	*			trans	44.3	109.9	139.4	68.4	0	0	0	0	125.9
291	S	32.2	Very low	33.8	Very low	106 Å²	106	124 Å²	124	74%	0.741	77%	0.766	S	S	*	*				32.8	152.3	117.3	65.8	0	0	0	0	125.8
292	I	30.6	Very low	33.7	Very low	171 Å²	171	126.6 Å²	126.6	88%	0.877	77%	0.77	S	S	*	*			trans	121.4	152.8	156.2	-63.9	166.3	0	0	0	113.5
293	A	26.1	Very low	33.9	Very low	84 Å²	84	122.7 Å²	122.7	69%	0.694	77%	0.766	S	S	*	*			trans	-119.3	162.9	-164.3	0	0	0	0	0	114.7
294	S	31.3	Very low	33.9	Very low	114 Å²	114	124.9 Å²	124.9	80%	0.797	78%	0.776	S	S	*	*			trans	168.1	149.9	133.3	-77	0	0	0	0	116.8
295	S	31.8	Very low	34	Very low	101 Å²	101	126.3 Å²	126.3	71%	0.706	78%	0.778	S	S	*	*			trans	62.2	114.4	138	64.1	0	0	0	0	125.6
296	S	31.4	Very low	33.9	Very low	112 Å²	112	130.9 Å²	130.9	78%	0.783	79%	0.789	S	S	*	*				95.4	155.1	113.2	77.5	0	0	0	0	125
297	S	32.5	Very low	32.6	Very low	117 Å²	117	132 Å²	132	82%	0.818	79%	0.788	S	S	*	*			trans	105.6	157.3	152	77.8	0	0	0	0	120.7
298	T	35.8	Very low	32.7	Very low	131 Å²	131	131.1 Å²	131.1	80%	0.804	78%	0.784	S	S	*	*			trans	-142.3	167.6	-161	56.2	0	0	0	0	113.9
299	P	45	Very low	32.5	Very low	120 Å²	120	132 Å²	132	78%	0.779	78%	0.78	S	S	*	*				-141.9	163.5	127.9	35.2	-19.6	0	0	0	112.7
300	S	34.3	Very low	31.3	Very low	107 Å²	107	134 Å²	134	75%	0.748	78%	0.78	S	S	*	*			cis	91.2	133.3	9.5	-158.5	0	0	0	0	117.2
301	S	37.5	Very low	31.2	Very low	105 Å²	105	137.7 Å²	137.7	73%	0.734	78%	0.783	S	S	*	*			cis	-174.3	146.1	-18.1	-88.3	0	0	0	0	110.4
302	K	25.6	Very low	31	Very low	207 Å²	207	137.1 Å²	137.1	90%	0.9	78%	0.779	S	S	*	*			trans	169.4	164	160.2	-98.9	171.7	-178	177.3	0	111.8
303	S	31.1	Very low	30.9	Very low	99 Å²	99	135.9 Å²	135.9	69%	0.692	78%	0.78	S	S	*	*			cis	177	126	-48	56.8	0	0	0	0	112.2
304	K	29.7	Very low	31.3	Very low	219 Å²	219	137.9 Å²	137.9	95%	0.952	78%	0.784	S	S	*	*			trans	-174.4	163.7	146.5	-113.6	178.7	-179.6	-175.9	0	113.1
305	E	27.3	Very low	31.8	Very low	171 Å²	171	138.1 Å²	138.1	80%	0.799	78%	0.783	S	S	*	*			trans	-119.3	164.7	-163.6	-52.4	163.6	111.1	0	0	113.9
306	I	30.1	Very low	31.7	Very low	177 Å²	177	138.6 Å²	138.6	91%	0.908	78%	0.781	S	S	*	*			trans	-151.4	157.7	141.3	-100.8	161.3	0	0	0	107.2
307	N	25.4	Very low	31.7	Very low	136 Å²	136	138 Å²	138	73%	0.727	78%	0.777	S	S	*	*			trans	-136.7	-176.9	-154.1	-150.3	-34.2	0	0	0	113.8
308	L	31.6	Very low	31.5	Very low	152 Å²	152	142 Å²	142	80%	0.796	78%	0.779	S	S	*	*			trans	97.9	111.1	179.1	-55.1	169.1	0	0	0	114.2
309	N	29.4	Very low	31.4	Very low	127 Å²	127	141.3 Å²	141.3	68%	0.679	78%	0.78	S	S	*	*				84.5	126.3	56.5	-161.9	49.6	0	0	0	110.5
310	E	25.8	Very low	30.5	Very low	162 Å²	162	141.3 Å²	141.3	76%	0.757	78%	0.783	S	S	*	*			cis	-138.8	172.9	42.3	-89.1	-160.6	116.1	0	0	118.8
311	K	30.3	Very low	30.4	Very low	173 Å²	173	142.7 Å²	142.7	75%	0.752	79%	0.787	S	S	*	*			trans	-38.9	174.1	161.6	-75.1	171.8	-178	167.7	0	118.2
312	S	29.2	Very low	31.1	Very low	94 Å²	94	142.5 Å²	142.5	66%	0.657	78%	0.784	S	S	*	*			cis	169.4	131.9	-35.8	62.3	0	0	0	0	110.5
313	T	28.9	Very low	31.4	Very low	145 Å²	145	139 Å²	139	89%	0.89	78%	0.78	S	S	*	*			trans	-166.1	135.1	151.9	24.9	0	0	0	0	112.4
314	T	33.9	Very low	31.5	Very low	127 Å²	127	139.5 Å²	139.5	78%	0.779	78%	0.783	S	S	*	*			trans	-132.4	160.9	159.3	59.2	0	0	0	0	108.2
315	P	42.1	Very low	31.4	Very low	119 Å²	119	141.3 Å²	141.3	77%	0.773	78%	0.784	S	S	*	*				-127.5	151.2	93.4	3.3	20	0	0	0	112.7
316	V	29.1	Very low	31.6	Very low	110 Å²	110	138.4 Å²	138.4	67%	0.667	78%	0.783	S	S	*	*				65.4	125.5	71.5	-177.4	0	0	0	0	111.3
317	S	31.7	Very low	31.3	Very low	101 Å²	101	139.3 Å²	139.3	71%	0.706	78%	0.783	S	S	*	*			cis	-141.7	134.7	34.5	-34.3	0	0	0	0	112.5
318	K	27.5	Very low	31.7	Very low	199 Å²	199	137.1 Å²	137.1	87%	0.865	78%	0.784	S	S	*	*				85.1	139.3	86.4	-70.6	-172.6	175.2	-177.6	0	116.4
319	S	34.5	Very low	32.3	Very low	118 Å²	118	136 Å²	136	83%	0.825	79%	0.785	S	S	*	*			trans	-122.5	162.9	176	52.8	0	0	0	0	111.1
320	S	26.5	Very low	32.5	Very low	119 Å²	119	136.2 Å²	136.2	83%	0.832	79%	0.791	S	S	*	*			trans	-171.8	151.4	153.1	47.2	0	0	0	0	114.7
321	T	31	Very low	33.3	Very low	136 Å²	136	133.8 Å²	133.8	83%	0.834	79%	0.79	S	S	*	*			trans	-137.2	179.5	166.9	1.4	0	0	0	0	105.8
322	P	53.8	Low	33	Very low	102 Å²	102	130.2 Å²	130.2	66%	0.662	79%	0.786	S	S	*	*			cis	-137.7	-152.1	-9.9	36.8	-14.1	0	0	0	113.7
323	T	30.4	Very low	33.1	Very low	133 Å²	133	131 Å²	131	82%	0.816	79%	0.792	S	S	*	*			trans	87.6	168.7	150.4	31.2	0	0	0	0	121.4
324	S	32.8	Very low	33	Very low	110 Å²	110	129.9 Å²	129.9	77%	0.769	79%	0.785	S	S	*	*			trans	-143.6	163.3	-142.7	55.4	0	0	0	0	115.4
325	R	29.2	Very low	32.6	Very low	257 Å²	257	129.2 Å²	129.2	97%	0.97	79%	0.786	S	S	*	*			trans	-166.3	-177.9	148.8	-116.3	176.3	-179.5	-158.8	-2.9	113.4
326	S	30.2	Very low	32.1	Very low	110 Å²	110	130 Å²	130	77%	0.769	79%	0.788	S	S	*	*			trans	-143.5	149.1	-167.1	176.4	0	0	0	0	111.7
327	E	24.8	Very low	32.7	Very low	196 Å²	196	130.7 Å²	130.7	92%	0.916	80%	0.795	S	S	*	*			trans	-168.7	171.3	151.5	-114.8	163.9	-160.1	0	0	112.3
328	A	32.8	Very low	32.6	Very low	90 Å²	90	129.3 Å²	129.3	74%	0.744	80%	0.797	S	S	*	*			trans	-135.5	167.2	-174.8	0	0	0	0	0	112.1
329	P	45.6	Very low	32.7	Very low	128 Å²	128	128.5 Å²	128.5	83%	0.831	80%	0.801	S	S	*	*				-152	-172.5	106.9	38.9	-19.7	0	0	0	117
330	T	31.8	Very low	32.5	Very low	131 Å²	131	133.6 Å²	133.6	80%	0.804	80%	0.802	S	S	*	*			trans	-85.2	176.6	-177.2	33.3	0	0	0	0	113.8
331	P	43	Very low	32.8	Very low	112 Å²	112	134 Å²	134	73%	0.727	80%	0.802	S	S	*	*			cis	-154.9	-177.1	38	44.5	-20.9	0	0	0	122.3
332	S	25.6	Very low	32.7	Very low	97 Å²	97	131.5 Å²	131.5	68%	0.678	80%	0.795	S	S	*	*			trans	79.5	102	148.2	56.9	0	0	0	0	124.4
333	S	29.7	Very low	32.3	Very low	110 Å²	110	132.5 Å²	132.5	77%	0.769	80%	0.801	S	S	*	*			trans	68.1	169	133.8	61.6	0	0	0	0	119.9
334	T	26.4	Very low	32	Very low	123 Å²	123	132 Å²	132	76%	0.755	80%	0.803	S	S	*	*			cis	-155.5	163.7	11.9	-29.4	0	0	0	0	113.7
335	S	27	Very low	31.8	Very low	112 Å²	112	136.3 Å²	136.3	78%	0.783	81%	0.808	S	S	*	*			trans	88.1	139.2	150.6	78.6	0	0	0	0	122.6
336	T	31	Very low	32.5	Very low	135 Å²	135	129.2 Å²	129.2	83%	0.828	80%	0.796	S	S	*	*			trans	-150.4	165.9	166.2	64.3	0	0	0	0	107.2
337	P	42.5	Very low	32.3	Very low	125 Å²	125	130.1 Å²	130.1	81%	0.812	80%	0.797	S	S	*	*				-160.4	164.2	83.6	41.3	-20.6	0	0	0	119.1
338	G	28.4	Very low	32.4	Very low	72 Å²	72	124.5 Å²	124.5	74%	0.742	79%	0.791	S	S	*	*			trans	81.7	157.9	142.8	0	0	0	0	0	119.9
339	L	29	Very low	32.3	Very low	182 Å²	182	125.1 Å²	125.1	95%	0.953	80%	0.796	S	S	*	*			cis	-153.7	169.9	-9.9	-112.5	176.1	0	0	0	111.5
340	R	30.3	Very low	31.3	Very low	226 Å²	226	127.3 Å²	127.3	85%	0.853	80%	0.796	S	S	*	*			trans	-94	164.4	-177.7	-123.8	179.5	-167.8	171.6	3.5	111.5
341	P	33.2	Very low	31	Very low	127 Å²	127	127.6 Å²	127.6	83%	0.825	79%	0.791	S	S	*	*				-149.6	171.7	97.4	38.9	-21.6	0	0	0	117.2
342	A	28.7	Very low	30.3	Very low	84 Å²	84	129.4 Å²	129.4	69%	0.694	79%	0.794	S	S	*	*			trans	-136.6	-160.7	161.1	0	0	0	0	0	105.5
343	P	46.5	Very low	30.2	Very low	122 Å²	122	129.9 Å²	129.9	79%	0.792	79%	0.793	S	S	*	*			cis	-138.7	-176.1	-8.4	44	-27.2	0	0	0	114.9
344	S	24.6	Very low	29.9	Very low	122 Å²	122	133.7 Å²	133.7	85%	0.853	80%	0.796	S	S	*	*			trans	-164.5	145.7	142.2	54.9	0	0	0	0	113
345	K	27.4	Very low	29.8	Very low	201 Å²	201	135 Å²	135	87%	0.874	80%	0.795	S	S	*	*			trans	-135.6	-171.4	176.9	-123	-169	177	-176.1	0	107.6
346	P	44.5	Very low	29.7	Very low	109 Å²	109	136.5 Å²	136.5	71%	0.708	79%	0.794	S	S	*	*			cis	-112	-141.1	12.2	21.2	6.2	0	0	0	111.1
347	T	26.1	Very low	29.5	Very low	129 Å²	129	136.8 Å²	136.8	79%	0.791	79%	0.79	S	S	*	*			cis	-160.1	146.7	7.1	-36	0	0	0	0	112
348	G	27	Very low	28.7	Very low	78 Å²	78	138.7 Å²	138.7	80%	0.804	79%	0.788	S	S	*	*			trans	80.8	124.9	154.6	0	0	0	0	0	117.4
349	A	29.3	Very low	28.5	Very low	102 Å²	102	144.6 Å²	144.6	84%	0.843	80%	0.796	S	S	*	*			cis	-142.8	176.3	-2.1	0	0	0	0	0	111.6
350	E	25.5	Very low	28.2	Very low	175 Å²	175	140.8 Å²	140.8	82%	0.818	78%	0.781	S	S	*	*			trans	-81.5	148.6	-172.3	-70.7	-168.3	144	0	0	112.9
351	L	26.1	Very low	28	Very low	137 Å²	137	136 Å²	136	72%	0.717	78%	0.782	S	S	*	*			cis	86.8	112.8	42.2	-75.7	175.6	0	0	0	115.8
352	L	26.9	Very low	27.5	Very low	150 Å²	150	133.8 Å²	133.8	79%	0.785	78%	0.782	S	S	*	*			trans	61.9	167.8	142.8	-62.6	172	0	0	0	119
353	V	24	Very low	27.3	Very low	107 Å²	107	137.7 Å²	137.7	65%	0.648	79%	0.79	S	S	*	*			cis	-141.4	153.5	-14.5	-148.8	0	0	0	0	107.3
354	F	23.4	Very low	26.2	Very low	190 Å²	190	143.4 Å²	143.4	83%	0.833	80%	0.796	S	S	*	*				167.1	176.7	117	-105.3	-73.6	0	0	0	114.1
355	M	24.3	Very low	26.2	Very low	150 Å²	150	143.5 Å²	143.5	74%	0.739	79%	0.792	S	S	*	*			trans	-115.1	174.9	-168.5	-50.1	-174.6	-52.4	0	0	112.8
356	L	25.9	Very low	26.7	Very low	144 Å²	144	139.1 Å²	139.1	75%	0.754	78%	0.784	S	S	*	*			trans	106.7	125.5	153.5	-58.6	-178.6	0	0	0	118.3
357	N	26.3	Very low	25.8	Very low	141 Å²	141	141.7 Å²	141.7	75%	0.754	79%	0.791	S	S	*	*			trans	67.8	165.6	137.9	-72.6	32.8	0	0	0	122.6
358	E	25.9	Very low	25.7	Very low	165 Å²	165	139.4 Å²	139.4	77%	0.771	79%	0.785	S	S	*	*			trans	-59.7	161	-176.8	-54.2	158	97.4	0	0	114.4
359	E	23.1	Very low	25.7	Very low	195 Å²	195	142.3 Å²	142.3	91%	0.911	79%	0.787	S	S	*	*			trans	-148.6	162	131.6	-96.7	-114.8	118.7	0	0	109.7
360	T	22.7	Very low	25.8	Very low	103 Å²	103	143 Å²	143	63%	0.632	78%	0.783	S	S	*	*			trans	-135.1	150.4	-172.4	71.5	0	0	0	0	112.8
361	S	26.1	Very low	25.6	Very low	124 Å²	124	140.6 Å²	140.6	87%	0.867	78%	0.784	S	S	*	*			trans	72.3	133.5	156.9	-49.1	0	0	0	0	118.6
362	G	23.9	Very low	25.4	Very low	81 Å²	81	139.9 Å²	139.9	84%	0.835	79%	0.79	S	S	*	*			trans	-168.7	42.6	-176.2	0	0	0	0	0	116.8
363	L	24.2	Very low	25.3	Very low	166 Å²	166	143.7 Å²	143.7	87%	0.869	80%	0.796	S	S	*	*			trans	-24	129.9	179	-76.1	154.8	0	0	0	119.6
364	R	24.1	Very low	25.8	Very low	242 Å²	242	144.5 Å²	144.5	91%	0.913	80%	0.803	S	S	*	*			trans	-163.3	145.7	130.5	-114.8	176.2	-176.5	-172.5	1.1	114.5
365	T	23.8	Very low	25.9	Very low	124 Å²	124	138.6 Å²	138.6	76%	0.761	80%	0.796	S	S	*	*			trans	-147.6	-178	174.8	52.4	0	0	0	0	107.2
366	P	38.7	Very low	26.9	Very low	109 Å²	109	136.9 Å²	136.9	71%	0.708	80%	0.796	S	S	*	*			cis	-137.2	170.8	1.8	39	-20.2	0	0	0	116.9
367	L	24.6	Very low	26.9	Very low	164 Å²	164	140.3 Å²	140.3	86%	0.859	81%	0.805	S	S	*	*				-177.8	155.9	120.5	-125.2	67.2	0	0	0	114.9
368	A	24.8	Very low	26.7	Very low	80 Å²	80	137 Å²	137	66%	0.661	81%	0.805	S	S	*	*			trans	10.6	132.9	165.2	0	0	0	0	0	122.2
369	V	26.9	Very low	26.7	Very low	140 Å²	140	138.2 Å²	138.2	85%	0.848	81%	0.813	S	S	*	*			cis	71.1	130.8	48.2	177	0	0	0	0	111.8
370	P	30.6	Very low	27.2	Very low	116 Å²	116	134.8 Å²	134.8	75%	0.753	81%	0.805	S	S	*	*			cis	-132.2	169.4	31.6	31.8	-10.3	0	0	0	119.1
371	C	21.1	Very low	27.6	Very low	124 Å²	124	135.5 Å²	135.5	84%	0.838	81%	0.812	S	S	*	*			trans	-98.1	168.7	163.4	-58.6	0	0	0	0	111.4
372	S	22.1	Very low	27.7	Very low	122 Å²	122	137.9 Å²	137.9	85%	0.853	81%	0.808	S	S	*	*			trans	-150	126.9	160.5	-73.6	0	0	0	0	112.4
373	Y	25.8	Very low	28.1	Very low	231 Å²	231	140 Å²	140	91%	0.906	81%	0.808	S	S	*	*			trans	-112.4	149.8	159.6	-103	-81.1	0	0	0	106.4
374	P	32.8	Very low	28.1	Very low	124 Å²	124	135.4 Å²	135.4	81%	0.805	80%	0.8	S	S	*	*				-154	178.8	97.3	40.4	-22.3	0	0	0	115.7
375	G	27.1	Very low	28.3	Very low	66 Å²	66	131.7 Å²	131.7	68%	0.68	80%	0.795	S	S	*	*			trans	-135.3	-159.1	149	0	0	0	0	0	108.1
376	P	44.3	Very low	28.6	Very low	114 Å²	114	133.3 Å²	133.3	74%	0.74	80%	0.799	S	S	*	*			cis	-124.9	-178.9	-14.9	39.8	-24.9	0	0	0	112.9
377	F	25.5	Very low	28	Very low	215 Å²	215	131.7 Å²	131.7	94%	0.943	80%	0.802	S	S	*	*			trans	59.1	129.6	171.3	-76.6	-84.2	0	0	0	118.8
378	G	23.4	Very low	28	Very low	73 Å²	73	132.2 Å²	132.2	75%	0.753	80%	0.8	S	S	*	*			trans	150	103.3	159	0	0	0	0	0	117.9
379	M	26.1	Very low	28.2	Very low	189 Å²	189	135.9 Å²	135.9	93%	0.931	81%	0.807	S	S	*	*			trans	31.2	132.6	150.2	-68.2	174	62.1	0	0	123.5
380	V	32.8	Very low	28.2	Very low	124 Å²	124	135.6 Å²	135.6	75%	0.752	81%	0.812	S	S	*	*			trans	-65.8	138.3	164.7	167.6	0	0	0	0	111.5
381	P	30.4	Very low	27.9	Very low	118 Å²	118	133.8 Å²	133.8	77%	0.766	82%	0.815	S	S	*	*				-143.5	159.5	100.4	36.7	-20.2	0	0	0	116.8
382	H	29.3	Very low	28.3	Very low	173 Å²	173	132.9 Å²	132.9	80%	0.801	82%	0.816	S	S	*	*			trans	-66.6	163.3	170.9	-66	-93	0	0	0	112.8
383	P	31.9	Very low	28.4	Very low	127 Å²	127	133 Å²	133	83%	0.825	82%	0.817	S	S	*	*				-141.1	153.2	108.8	38.4	-27.7	0	0	0	115.9
384	G	24.5	Very low	28.5	Very low	68 Å²	68	126.1 Å²	126.1	70%	0.701	81%	0.807	S	S	*	*				101.7	74.9	113.6	0	0	0	0	0	121.8
385	M	28.5	Very low	28.2	Very low	165 Å²	165	125.1 Å²	125.1	81%	0.813	81%	0.81	S	S	*	*				69.3	118.5	116.5	-145.7	71.7	78.8	0	0	122.6
386	N	28.6	Very low	28.1	Very low	158 Å²	158	132.6 Å²	132.6	85%	0.845	82%	0.819	S	S	*	*			trans	68.1	147.8	150.7	-64.7	-3.5	0	0	0	122.1
387	G	26.9	Very low	27.3	Very low	74 Å²	74	133.3 Å²	133.3	76%	0.763	83%	0.826	S	S	*	*			trans	169.6	18.4	173.4	0	0	0	0	0	121.4
388	E	24.2	Very low	27.4	Very low	175 Å²	175	126.7 Å²	126.7	82%	0.818	82%	0.819	S	S	*	*			trans	45.9	113.1	162.1	-62	-168.4	113.3	0	0	123.5
389	L	29.1	Very low	27.8	Very low	157 Å²	157	130.2 Å²	130.2	82%	0.822	82%	0.82	S	S	*	*				41.1	124.9	122	-64.4	167.1	0	0	0	122.5
390	S	26.6	Very low	27.9	Very low	134 Å²	134	130.7 Å²	130.7	94%	0.937	82%	0.819	S	S	*	*				-174.6	156.1	123.4	-88	0	0	0	0	114.6
391	G	25.4	Very low	27.6	Very low	79 Å²	79	131.7 Å²	131.7	81%	0.814	82%	0.821	S	S	*	*			trans	117.3	37.5	133.4	0	0	0	0	0	121.9
392	A	28.3	Very low	27.7	Very low	104 Å²	104	134.6 Å²	134.6	86%	0.86	83%	0.828	S	S	*	*			trans	-20.5	151.6	166	0	0	0	0	0	120.8
393	S	24.6	Very low	27.5	Very low	125 Å²	125	131.4 Å²	131.4	87%	0.874	83%	0.825	S	S	*	*				163.9	136.2	116.1	-168.2	0	0	0	0	113.7
394	A	27.5	Very low	28.5	Very low	86 Å²	86	130.5 Å²	130.5	71%	0.711	82%	0.819	S	S	*	*			trans	-91.9	170.2	-174.7	0	0	0	0	0	114.9
395	A	26.5	Very low	28.7	Very low	104 Å²	104	136.4 Å²	136.4	86%	0.86	83%	0.829	S	S	*	*			trans	-143.9	145.5	152.2	0	0	0	0	0	110.2
396	Y	26.7	Very low	28.7	Very low	223 Å²	223	136.9 Å²	136.9	88%	0.875	83%	0.831	S	S	*	*			trans	-131.9	137.6	-171.6	-112.2	-87.6	0	0	0	111.5
397	S	26.3	Very low	28.6	Very low	128 Å²	128	134.1 Å²	134.1	90%	0.895	82%	0.824	S	S	*	*			trans	-175.2	153.5	157.4	-83.4	0	0	0	0	109.4
398	G	28	Very low	28.8	Very low	76 Å²	76	135.1 Å²	135.1	78%	0.784	83%	0.825	S	S	*	*			cis	170.9	124.5	-3.3	0	0	0	0	0	109.3
399	L	31.2	Very low	28.9	Very low	147 Å²	147	133.1 Å²	133.1	77%	0.77	82%	0.824	S	S	*	*			trans	-81.3	157.6	-170.6	-73.9	161.7	0	0	0	114.1
400	H	28.5	Very low	28.8	Very low	199 Å²	199	130.3 Å²	130.3	92%	0.921	82%	0.823	S	S	*	*			trans	-145.5	139.9	146.7	-92.2	-74	0	0	0	112.4
401	N	27.1	Very low	29	Very low	146 Å²	146	129 Å²	129	78%	0.781	82%	0.821	S	S	*	*			trans	-92.5	164.8	179.5	-82.4	-10.9	0	0	0	112.7
402	I	31.6	Very low	29.1	Very low	178 Å²	178	130.3 Å²	130.3	91%	0.913	82%	0.824	S	S	*	*			trans	-162.6	150.7	130.1	-99.4	149.8	0	0	0	110.7
403	S	25.4	Very low	29.2	Very low	107 Å²	107	130.1 Å²	130.1	75%	0.748	82%	0.823	S	S	*	*			trans	-163.6	176.2	-177.9	-161.2	0	0	0	0	106.8
404	P	53.6	Low	29.3	Very low	108 Å²	108	131.2 Å²	131.2	70%	0.701	82%	0.824	S	S	*	*			cis	-129.9	-171.6	-6.6	43.6	-28.5	0	0	0	113.5
405	Q	27.3	Very low	29.4	Very low	192 Å²	192	131.9 Å²	131.9	90%	0.897	83%	0.829	S	S	*	*				-165.5	171.1	124.9	-112.9	-179.5	-14.3	0	0	114.9
406	M	29.4	Very low	29.4	Very low	175 Å²	175	131.4 Å²	131.4	86%	0.862	83%	0.825	S	S	*	*			trans	-91.4	178.1	-170	-49.7	158.9	64.3	0	0	111.1
407	S	27.4	Very low	29.3	Very low	99 Å²	99	132.5 Å²	132.5	69%	0.692	83%	0.83	S	S	*	*			cis	-155.9	166.9	7.2	-156.2	0	0	0	0	110.8
408	A	29.2	Very low	29.2	Very low	95 Å²	95	130.2 Å²	130.2	79%	0.785	83%	0.826	S	S	*	*			trans	-118.6	139.4	171.1	0	0	0	0	0	111.1
409	V	26.9	Very low	29.2	Very low	134 Å²	134	138 Å²	138	81%	0.812	83%	0.832	S	S	*	*			trans	-147.4	138.7	176.1	-149.5	0	0	0	0	112.4
410	A	28	Very low	28.9	Very low	97 Å²	97	136.3 Å²	136.3	80%	0.802	83%	0.828	S	S	*	*			trans	55.4	117.1	157.3	0	0	0	0	0	120.2
411	A	29.7	Very low	28.8	Very low	108 Å²	108	136 Å²	136	89%	0.893	83%	0.827	S	S	*	*			trans	-91.8	141.8	150.7	0	0	0	0	0	110
412	A	27.2	Very low	28.9	Very low	105 Å²	105	135.2 Å²	135.2	87%	0.868	83%	0.827	S	S	*	*			trans	-151.2	140.8	165.8	0	0	0	0	0	109.2
413	A	30.4	Very low	28.9	Very low	101 Å²	101	133.6 Å²	133.6	84%	0.835	83%	0.825	S	S	*	*			trans	-114.7	134	-175.6	0	0	0	0	0	111.8
414	V	26.8	Very low	28.9	Very low	147 Å²	147	131.6 Å²	131.6	89%	0.891	82%	0.821	S	S	*	*			trans	-142	138	163.9	-176	0	0	0	0	107.8
415	A	29.3	Very low	27.6	Very low	101 Å²	101	136 Å²	136	84%	0.835	83%	0.83	S	S	*	*			trans	-107.9	133.6	176.9	0	0	0	0	0	111
416	A	26.4	Very low	27.7	Very low	94 Å²	94	133.2 Å²	133.2	78%	0.777	82%	0.821	S	S	*	*			trans	-153.8	143	168.6	0	0	0	0	0	113.1
417	Y	24.9	Very low	28	Very low	246 Å²	246	129 Å²	129	97%	0.965	81%	0.807	S	S	*	*			trans	-48.1	145.3	176.2	-59	-99.2	0	0	0	115.9
418	G	25.1	Very low	28.1	Very low	80 Å²	80	132.3 Å²	132.3	83%	0.825	81%	0.811	S	S	*	*			trans	-159.7	122.8	170.2	0	0	0	0	0	113.2
419	R	26.9	Very low	28.1	Very low	239 Å²	239	135.6 Å²	135.6	90%	0.902	81%	0.809	S	S	*	*			trans	-83.9	143.7	-170.7	-133.8	-175.5	-179.4	174.9	-1.9	113.1
420	T	25.6	Very low	28.5	Very low	111 Å²	111	137.6 Å²	137.6	68%	0.681	81%	0.81	S	S	*	*			trans	0	136.7	149.9	56.1	0	0	0	0	120
421	Q	26.3	Very low	28.7	Very low	194 Å²	194	140.4 Å²	140.4	91%	0.907	81%	0.81	S	S	*	*			trans	-129.6	163.5	141.4	-72.6	-163.1	-2.3	0	0	110.9
422	V	29.1	Very low	28.8	Very low	128 Å²	128	146.5 Å²	146.5	78%	0.776	81%	0.809	S	S	*	*			trans	-142.6	164.7	-171.3	-177.1	0	0	0	0	108.2
423	V	31.8	Very low	28.9	Very low	145 Å²	145	147.6 Å²	147.6	88%	0.879	81%	0.805	S	S	*	*			trans	84.2	130	178.6	-168.5	0	0	0	0	113
424	G	25.7	Very low	29.1	Very low	64 Å²	64	148.6 Å²	148.6	66%	0.66	80%	0.803	S	S	*	*			cis	-170.5	-168.9	0.2	0	0	0	0	0	115.3
425	F	26	Very low	29.2	Very low	202 Å²	202	144.9 Å²	144.9	89%	0.886	80%	0.795	S	S	*	*			trans	-65.8	168.9	171.3	-79	-121.6	0	0	0	110.4
426	D	28.6	Very low	29.5	Very low	133 Å²	133	148.1 Å²	148.1	71%	0.711	80%	0.797	S	S	*	*			cis	-149.1	-151.4	26.8	-149.7	8.7	0	0	0	112.6
427	P	37.2	Very low	29.8	Very low	86 Å²	86	149 Å²	149	56%	0.558	80%	0.795	S	S	*	*				-132.1	-154.7	-127.7	44.9	-23.1	0	0	0	116
428	H	28.5	Very low	30.5	Very low	168 Å²	168	143.5 Å²	143.5	78%	0.778	79%	0.789	S	S	*	*			trans	96.1	168.6	166.3	-69.8	-53.3	0	0	0	119.8
429	H	30	Very low	30.8	Very low	164 Å²	164	146.4 Å²	146.4	76%	0.759	79%	0.786	S	S	*	*			trans	-120.2	-163.1	-150	-87.2	-19.1	0	0	0	112.7
430	H	34.3	Very low	31.6	Very low	177 Å²	177	143 Å²	143	82%	0.819	79%	0.785	S	S	*	*			trans	82.1	143.5	173.2	-38	-74	0	0	0	113
431	I	33.9	Very low	31.9	Very low	156 Å²	156	143.5 Å²	143.5	80%	0.8	79%	0.793	S	S	*	*			cis	-129	156	10.5	-72.1	175.2	0	0	0	111.1
432	R	31.5	Very low	32.3	Very low	235 Å²	235	137.7 Å²	137.7	89%	0.887	79%	0.785	S	S	*	*			trans	-94.7	132.1	172.3	-176.4	-172.7	-166.3	176.2	5.9	110.6
433	V	28.8	Very low	32.6	Very low	129 Å²	129	138.5 Å²	138.5	78%	0.782	78%	0.784	S	S	*	*			trans	-115.9	135.6	171.6	-178.3	0	0	0	0	109.3
434	P	34.2	Very low	32.7	Very low	121 Å²	121	137.8 Å²	137.8	79%	0.786	78%	0.782	S	S	*	*			trans	-98.4	148	-173.3	36.5	-33.6	0	0	0	114.2
435	G	29.8	Very low	33.5	Very low	70 Å²	70	138.8 Å²	138.8	72%	0.722	79%	0.792	S	S	*	*			trans	108.5	89.3	156	0	0	0	0	0	117
436	L	34.2	Very low	34.4	Very low	169 Å²	169	131.8 Å²	131.8	89%	0.885	78%	0.777	S	S	*	*			trans	-166.9	159.3	139.2	-122.3	76.1	0	0	0	107.4
437	P	34.1	Very low	36.3	Very low	111 Å²	111	135 Å²	135	72%	0.721	78%	0.784	S	S	*	*			trans	-81.4	142	-173.6	32.5	-32.5	0	0	0	112.2	N439	P437-N439 PolarHBondContact O-N 3.26Å
438	P	38.5	Very low	38.2	Very low	132 Å²	132	136.4 Å²	136.4	86%	0.857	79%	0.793	S	S	*	*			trans	-81.8	107.2	174.7	31.9	-31.4	0	0	0	110.3
439	N	31.8	Very low	41.1	Very low	140 Å²	140	131 Å²	131	75%	0.749	78%	0.778	S	S	*	*			trans	-143.8	119.7	162.8	-151.9	-6.2	0	0	0	111.3	P437	P437-N439 PolarHBondContact O-N 3.26Å
440	L	43	Very low	44.2	Very low	168 Å²	168	125.7 Å²	125.7	88%	0.88	75%	0.752	S	S	*	*			trans	41.8	92.1	165.4	-68.1	164.8	0	0	0	118.8
441	S	33.3	Very low	47.1	Very low	121 Å²	121	117.4 Å²	117.4	85%	0.846	71%	0.714	S	S	*	*			trans	-138.8	128.1	136.1	62.3	0	0	0	0	110.1
442	G	33.6	Very low	50	Low	72 Å²	72	112.1 Å²	112.1	74%	0.742	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-80.6	128.8	-176.7	0	0	0	0	0	111.5	P444	G442-P444 VanDerWaalsContact O-CD 3.26Å; G442-P444 WeakPolarHBondContact O-CD 3.29Å
443	I	35.5	Very low	53.1	Low	146 Å²	146	103.1 Å²	103.1	75%	0.749	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-69.6	117.1	173	-58.4	174.5	0	0	0	108.6	G445 G446	I443-G445 PolarHBondContact O-N 3.15Å; I443-G445 VanDerWaalsContact O-N 3.16Å; I443-G446 PolarHBondContact O-N 3.3Å
444	P	33.5	Very low	56.2	Low	129 Å²	129	97.6 Å²	97.6	84%	0.838	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	118	177	-18.5	32.8	0	0	0	109.9	G442	G442-P444 VanDerWaalsContact O-CD 3.26Å; G442-P444 WeakPolarHBondContact O-CD 3.29Å
445	G	43.9	Very low	58.8	Low	85 Å²	85	93.9 Å²	93.9	88%	0.876	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	102.4	1	-177.5	0	0	0	0	0	115.7	I443	I443-G445 PolarHBondContact O-N 3.15Å; I443-G445 VanDerWaalsContact O-N 3.16Å
446	G	45.3	Very low	61.4	Low	55 Å²	55	94.1 Å²	94.1	57%	0.567	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-62.8	140.8	164.7	0	0	0	0	0	111.6	I443	I443-G446 PolarHBondContact O-N 3.3Å
447	K	66.9	Low	63.7	Low	201 Å²	201	91 Å²	91	87%	0.874	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-59.8	145.6	166	-71.6	-174.2	177.7	-176	0	109.2
448	P	77.4	Confident	66	Low	115 Å²	115	88.1 Å²	88.1	75%	0.747	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-58.2	143.4	175.6	25.5	-34.3	0	0	0	110.7
449	A	89.6	Confident	68.3	Low	54 Å²	54	86.9 Å²	86.9	45%	0.446	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-65.2	138	170.8	0	0	0	0	0	109.5	F452 P462	A449-F452 HydrophobicContact CB-CE1 4.07Å; A449-F452 HydrophobicContact CB-CZ 3.82Å; A449-F452 WeakPolarHBondContact O-CE2 3.43Å; A449-F452 VanDerWaalsContact O-CZ 3.28Å; A449-F452 WeakPolarHBondContact O-CZ 3.21Å; A449-P462 HydrophobicContact CB-CB 3.74Å
450	Y	94.2	Very high	71.1	Confident	54 Å²	54	85.2 Å²	85.2	21%	0.212	54%	0.538	C	S	.	.			trans	-124.3	-1	-174.9	64.8	-96.4	0	0	0	113.2	F465 L698 H699 L700 W729 G734 S736	Y450-F465 HydrophobicContact CE1-CE2 4.38Å; Y450-F465 HydrophobicContact CE2-CZ 4.08Å; Y450-F465 AromaticContact CZ-CE2 3.9Å; Y450-F465 AromaticContact CZ-CZ 3.86Å; Y450-F465 WeakPolarHBondContact OH-CE2 3.49Å; Y450-L698 CarbonylContact O-C 3.44Å; Y450-L698 WeakPolarHBondContact O-CA 3.4Å; Y450-H699 PolarHBondContact O-N 2.89Å; Y450-L700 HydrophobicContact CD1-CD2 4.17Å; Y450-L700 HydrophobicContact CD2-CD1 3.6Å; Y450-L700 HydrophobicContact CD2-CD2 4.03Å; Y450-L700 HydrophobicContact CD2-CG 3.65Å; Y450-L700 HydrophobicContact CE2-CD1 3.81Å; Y450-L700 HydrophobicContact CE2-CG 4.37Å; Y450-L700 HydrophobicContact CG-CD1 4.07Å; Y450-L700 HydrophobicContact CG-CD2 3.66Å; Y450-L700 HydrophobicContact CG-CG 3.82Å; Y450-W729 HydrophobicContact CD2-CZ3 4.09Å; Y450-W729 HydrophobicContact CE2-CZ3 4.19Å; Y450-G734 WeakPolarHBondContact CE2-O 3.46Å; Y450-S736 PolarHBondContact OH-N 2.95Å
451	S	95.9	Very high	73.5	Confident	3 Å²	3	82.1 Å²	82.1	2%	0.021	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	126.5	175.1	171.7	0	0	0	0	108.7	P462 V463 L698 Y733	S451-P462 WeakPolarHBondContact O-CA 3.33Å; S451-V463 PolarHBondContact O-N 3.21Å; S451-V463 WeakPolarHBondContact OG-CG2 3.43Å; S451-L698 WeakPolarHBondContact OG-CD2 3.24Å; S451-Y733 PolarHBondContact OG-O 2.81Å
452	F	96.1	Very high	76.4	Confident	44 Å²	44	79.6 Å²	79.6	19%	0.193	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.6	-177.1	-59.4	-89.7	0	0	0	109.7	A449 M460 Q461 P462 Y696 Q697 H699	A449-F452 HydrophobicContact CB-CE1 4.07Å; A449-F452 HydrophobicContact CB-CZ 3.82Å; A449-F452 WeakPolarHBondContact O-CE2 3.43Å; A449-F452 VanDerWaalsContact O-CZ 3.28Å; A449-F452 WeakPolarHBondContact O-CZ 3.21Å; F452-M460 HydrophobicContact CB-CB 4.49Å; F452-Q461 CarbonylContact C-O 3.56Å; F452-Q461 VanDerWaalsContact CA-O 3.29Å; F452-Q461 WeakPolarHBondContact CA-O 3.19Å; F452-P462 HydrophobicContact CD1-CB 4.24Å; F452-P462 HydrophobicContact CE1-CB 4.15Å; F452-Y696 CarbonylContact O-C 3.6Å; F452-Y696 VanDerWaalsContact O-CA 3.27Å; F452-Y696 WeakPolarHBondContact O-CA 3.45Å; F452-Q697 PolarHBondContact N-O 3.45Å; F452-Q697 PolarHBondContact O-N 3.48Å; F452-H699 AromaticContact CD2-CE1 3.79Å; F452-H699 AromaticContact CD2-ND1 3.58Å; F452-H699 AromaticContact CE2-CE1 3.88Å; F452-H699 AromaticContact CE2-ND1 3.32Å; F452-H699 VanDerWaalsContact CE2-ND1 3.32Å; F452-H699 WeakPolarHBondContact CE2-ND1 3.47Å
453	H	95.6	Very high	79.2	Confident	46 Å²	46	77.3 Å²	77.3	21%	0.213	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	129.7	162.3	-177.9	-95.8	0	0	0	108.1	S455 M460 Q461 V463 Y696	H453-S455 PolarHBondContact CE1-OG 2.82Å; H453-S455 PolarHBondContact ND1-OG 3.42Å; H453-M460 CarbonylContact O-C 3.52Å; H453-M460 WeakPolarHBondContact O-CA 3.41Å; H453-Q461 PolarHBondContact N-O 3.1Å; H453-Q461 PolarHBondContact O-N 2.89Å; H453-V463 HydrophobicContact CB-CG2 4.19Å; H453-Y696 HydrophobicContact CB-CD1 4.1Å; H453-Y696 HydrophobicContact CB-CE1 3.92Å; H453-Y696 AromaticContact CD2-CE1 3.57Å; H453-Y696 AromaticContact CD2-CZ 3.82Å
454	V	93.8	Very high	81.9	Confident	14 Å²	14	76 Å²	76	9%	0.085	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	108.7	171.6	-164.1	0	0	0	0	107.3	Q459 M460 K695 Q697	V454-Q459 WeakPolarHBondContact CA-O 3.42Å; V454-M460 HydrophobicContact CG1-CG 4.2Å; V454-M460 HydrophobicContact CG2-CG 4.06Å; V454-K695 HydrophobicContact CB-CG 3.79Å; V454-K695 HydrophobicContact CG2-CG 4.15Å; V454-K695 PolarHBondContact N-O 3.27Å; V454-K695 PolarHBondContact O-N 3.07Å; V454-Q697 HydrophobicContact CG2-CB 4.16Å
455	S	88.2	Confident	84.8	Confident	42 Å²	42	73.4 Å²	73.4	29%	0.294	45%	0.448	S	S	.	.			trans	-72.6	164.3	177.6	-68.2	0	0	0	0	111.5	H453 D457 G458 Q459	H453-S455 PolarHBondContact CE1-OG 2.82Å; H453-S455 PolarHBondContact ND1-OG 3.42Å; S455-D457 WeakPolarHBondContact CB-OD1 3.44Å; S455-D457 PolarHBondContact O-N 2.96Å; S455-G458 PolarHBondContact O-N 2.9Å; S455-Q459 PolarHBondContact N-O 2.72Å
456	A	84.6	Confident	87.1	Confident	76 Å²	76	71.5 Å²	71.5	63%	0.628	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-17.5	-179.1	0	0	0	0	0	115.3	P693	A456-P693 HydrophobicContact CB-CB 3.69Å; A456-P693 HydrophobicContact CB-CG 3.51Å
457	D	82.7	Confident	89.1	Confident	103 Å²	103	75.2 Å²	75.2	55%	0.551	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	2.7	174.7	67.3	-16.5	0	0	0	113.4	S455 Q459	S455-D457 WeakPolarHBondContact CB-OD1 3.44Å; S455-D457 PolarHBondContact O-N 2.96Å; D457-Q459 VanDerWaalsContact C-N 3.34Å; D457-Q459 WeakPolarHBondContact OD1-CB 3.36Å; D457-Q459 PolarHBondContact OD1-N 2.86Å; D457-Q459 WeakPolarHBondContact OD2-CG 3.45Å; D457-Q459 PolarHBondContact OD2-NE2 3.44Å
458	G	82.4	Confident	90.2	Very high	51 Å²	51	69 Å²	69	53%	0.526	41%	0.411	S	S	.	.	S	Bend	trans	82.2	1.9	-177.3	0	0	0	0	0	114.7	S455 M460	S455-G458 PolarHBondContact O-N 2.9Å; G458-M460 PolarHBondContact O-N 3.4Å
459	Q	87.5	Confident	90.7	Very high	105 Å²	105	63.6 Å²	63.6	49%	0.491	38%	0.375	S	S	.	.			trans	-70.3	122	176.2	-73.3	-169.9	61.2	0	0	111.4	V454 S455 D457	V454-Q459 WeakPolarHBondContact CA-O 3.42Å; S455-Q459 PolarHBondContact N-O 2.72Å; D457-Q459 VanDerWaalsContact C-N 3.34Å; D457-Q459 WeakPolarHBondContact OD1-CB 3.36Å; D457-Q459 PolarHBondContact OD1-N 2.86Å; D457-Q459 WeakPolarHBondContact OD2-CG 3.45Å; D457-Q459 PolarHBondContact OD2-NE2 3.44Å
460	M	90.7	Very high	90.7	Very high	105 Å²	105	65 Å²	65	52%	0.517	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	124.4	171.5	-59.2	-167.6	-72.2	0	0	110.3	F452 H453 V454 G458	F452-M460 HydrophobicContact CB-CB 4.49Å; H453-M460 CarbonylContact O-C 3.52Å; H453-M460 WeakPolarHBondContact O-CA 3.41Å; V454-M460 HydrophobicContact CG1-CG 4.2Å; V454-M460 HydrophobicContact CG2-CG 4.06Å; G458-M460 PolarHBondContact O-N 3.4Å
461	Q	92.3	Very high	90.4	Very high	104 Å²	104	69 Å²	69	49%	0.486	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	137.1	176.3	-66.4	-63.5	-20.3	0	0	110.7	F452 H453 V463	F452-Q461 CarbonylContact C-O 3.56Å; F452-Q461 VanDerWaalsContact CA-O 3.29Å; F452-Q461 WeakPolarHBondContact CA-O 3.19Å; H453-Q461 PolarHBondContact N-O 3.1Å; H453-Q461 PolarHBondContact O-N 2.89Å; Q461-V463 PolarHBondContact O-N 2.82Å
462	P	94.4	Very high	90.2	Very high	68 Å²	68	70.1 Å²	70.1	44%	0.442	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	134.2	-178.8	28.3	-35	0	0	0	110.7	A449 S451 F452 P464	A449-P462 HydrophobicContact CB-CB 3.74Å; S451-P462 WeakPolarHBondContact O-CA 3.33Å; F452-P462 HydrophobicContact CD1-CB 4.24Å; F452-P462 HydrophobicContact CE1-CB 4.15Å; P462-P464 WeakPolarHBondContact O-CD 3.3Å
463	V	93.8	Very high	89.9	Confident	24 Å²	24	73.4 Å²	73.4	15%	0.145	44%	0.436	C	S	.	.			trans	-74.5	125.1	-171.1	-171.4	0	0	0	0	111.9	S451 H453 Q461 F465 Y696	S451-V463 PolarHBondContact O-N 3.21Å; S451-V463 WeakPolarHBondContact OG-CG2 3.43Å; H453-V463 HydrophobicContact CB-CG2 4.19Å; Q461-V463 PolarHBondContact O-N 2.82Å; V463-F465 HydrophobicContact CB-CD1 4.34Å; V463-F465 HydrophobicContact CB-CE1 4.17Å; V463-F465 HydrophobicContact CG1-CD1 4.26Å; V463-F465 HydrophobicContact CG1-CE1 4.49Å; V463-F465 PolarHBondContact O-N 3.02Å; V463-F465 VanDerWaalsContact O-N 3.14Å; V463-Y696 HydrophobicContact CG1-CE1 4.31Å; V463-Y696 HydrophobicContact CG2-CD1 3.66Å; V463-Y696 HydrophobicContact CG2-CE1 3.73Å
464	P	92.3	Very high	89.6	Confident	118 Å²	118	72.7 Å²	72.7	77%	0.766	44%	0.441	S	S	*	.			trans	-74	101.9	167.4	30.3	-32.4	0	0	0	109.5	P462	P462-P464 WeakPolarHBondContact O-CD 3.3Å
465	F	94.4	Very high	89.7	Confident	74 Å²	74	72.3 Å²	72.3	33%	0.325	44%	0.439	S	S	.	.			trans	-65.1	133.8	-178.3	-62.4	-43.8	0	0	0	112.5	Y450 V463 A469 Y733 A735	Y450-F465 HydrophobicContact CE1-CE2 4.38Å; Y450-F465 HydrophobicContact CE2-CZ 4.08Å; Y450-F465 AromaticContact CZ-CE2 3.9Å; Y450-F465 AromaticContact CZ-CZ 3.86Å; Y450-F465 WeakPolarHBondContact OH-CE2 3.49Å; V463-F465 HydrophobicContact CB-CD1 4.34Å; V463-F465 HydrophobicContact CB-CE1 4.17Å; V463-F465 HydrophobicContact CG1-CD1 4.26Å; V463-F465 HydrophobicContact CG1-CE1 4.49Å; V463-F465 PolarHBondContact O-N 3.02Å; V463-F465 VanDerWaalsContact O-N 3.14Å; F465-A469 HydrophobicContact CB-CB 3.78Å; F465-A469 HydrophobicContact CG-CB 4.36Å; F465-Y733 AromaticContact CD1-CD2 3.81Å; F465-Y733 HydrophobicContact CD1-CD2 3.81Å; F465-Y733 HydrophobicContact CD1-CE2 4.28Å; F465-Y733 HydrophobicContact CE1-CD2 4.11Å; F465-A735 HydrophobicContact CD1-CB 3.78Å; F465-A735 HydrophobicContact CD2-CB 4.31Å; F465-A735 HydrophobicContact CE1-CB 3.69Å; F465-A735 HydrophobicContact CE2-CB 4.22Å; F465-A735 HydrophobicContact CG-CB 4.11Å; F465-A735 HydrophobicContact CZ-CB 3.92Å
466	P	91.6	Very high	90.1	Very high	46 Å²	46	70.4 Å²	70.4	30%	0.299	43%	0.425	S	S	.	.			trans	-72.1	164.9	173.2	32.7	-38.2	0	0	0	112	D468 A469 Y733	P466-D468 WeakPolarHBondContact CB-OD1 3.28Å; P466-D468 WeakPolarHBondContact CG-OD1 3.39Å; P466-D468 PolarHBondContact O-N 2.78Å; P466-D468 VanDerWaalsContact O-N 3.14Å; P466-A469 HydrophobicContact CG-CB 4.24Å; P466-A469 WeakPolarHBondContact O-CB 3.49Å; P466-A469 PolarHBondContact O-N 2.93Å; P466-Y733 HydrophobicContact CG-CE1 3.86Å; P466-Y733 HydrophobicContact CG-CE2 4.38Å; P466-Y733 VanDerWaalsContact CG-OH 3.32Å; P466-Y733 WeakPolarHBondContact CG-OH 3.31Å
467	P	86.9	Confident	90.5	Very high	133 Å²	133	74.8 Å²	74.8	86%	0.864	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.5	-177.9	-25.9	35.9	0	0	0	115.4	A469	P467-A469 VanDerWaalsContact C-N 3.33Å
468	D	89.8	Confident	91	Very high	70 Å²	70	74.2 Å²	74.2	37%	0.374	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	5.1	178.7	74.3	-63.7	0	0	0	114	P466 L470 I471 R730	P466-D468 WeakPolarHBondContact CB-OD1 3.28Å; P466-D468 WeakPolarHBondContact CG-OD1 3.39Å; P466-D468 PolarHBondContact O-N 2.78Å; P466-D468 VanDerWaalsContact O-N 3.14Å; D468-L470 VanDerWaalsContact C-N 3.32Å; D468-L470 PolarHBondContact O-N 2.94Å; D468-I471 WeakPolarHBondContact CA-O 3.5Å; D468-R730 PolarHBondContact O-NE 3.17Å; D468-R730 IonicContact OD2-CZ 3.41Å; D468-R730 IonicContact OD2-NE 3.23Å; D468-R730 IonicContact OD2-NH2 3.92Å; D468-R730 PolarHBondContact OD2-NH2 3.1Å
469	A	88.4	Confident	91.7	Very high	1 Å²	1	72.8 Å²	72.8	1%	0.008	40%	0.402	C	S	.	.	S	Bend	trans	-65.1	-33.5	-174.6	0	0	0	0	0	114	F465 P466 P467 R730 Y733 A735	F465-A469 HydrophobicContact CB-CB 3.78Å; F465-A469 HydrophobicContact CG-CB 4.36Å; P466-A469 HydrophobicContact CG-CB 4.24Å; P466-A469 WeakPolarHBondContact O-CB 3.49Å; P466-A469 PolarHBondContact O-N 2.93Å; P467-A469 VanDerWaalsContact C-N 3.33Å; A469-R730 WeakPolarHBondContact O-CB 3.39Å; A469-R730 WeakPolarHBondContact O-CD 3.26Å; A469-R730 VanDerWaalsContact O-CG 3.24Å; A469-R730 WeakPolarHBondContact O-CG 3.49Å; A469-Y733 WeakPolarHBondContact CA-OH 3.17Å; A469-Y733 HydrophobicContact CB-CE2 3.68Å; A469-A735 HydrophobicContact CB-CB 3.9Å
470	L	88.5	Confident	92.1	Very high	84 Å²	84	74.1 Å²	74.1	44%	0.44	40%	0.403	S	S	.	.	S	Bend	trans	-119.3	-15.7	-174.8	-60.4	179.6	0	0	0	113.4	D468 A735 S736	D468-L470 VanDerWaalsContact C-N 3.32Å; D468-L470 PolarHBondContact O-N 2.94Å; L470-A735 HydrophobicContact CD2-CB 3.84Å; L470-S736 WeakPolarHBondContact CD2-O 3.06Å
471	I	89.8	Confident	92.3	Very high	139 Å²	139	74.1 Å²	74.1	71%	0.713	40%	0.402	S	S	*	.	S	Bend	trans	-140.3	122.1	-175.8	-59.3	174.4	0	0	0	108.2	D468	D468-I471 WeakPolarHBondContact CA-O 3.5Å
472	G	90.1	Very high	92.3	Very high	25 Å²	25	72.1 Å²	72.1	26%	0.258	39%	0.394	S	S	.	.	S	Bend	trans	-179.7	166.9	177.8	0	0	0	0	0	113.3	G474 I475	G472-G474 PolarHBondContact O-N 3.45Å; G472-G474 VanDerWaalsContact O-N 3.16Å; G472-I475 WeakPolarHBondContact O-CB 3.36Å; G472-I475 PolarHBondContact O-N 3.33Å
473	P	90.2	Very high	92.2	Very high	114 Å²	114	69.3 Å²	69.3	74%	0.74	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	115	-179.7	26.4	-33.7	0	0	0	110.9	K715	P473-K715 PolarHBondContact O-NZ 3.39Å
474	G	90.1	Very high	92.2	Very high	31 Å²	31	70.9 Å²	70.9	32%	0.32	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	19.2	-173.5	0	0	0	0	0	114.4	G472	G472-G474 PolarHBondContact O-N 3.45Å; G472-G474 VanDerWaalsContact O-N 3.16Å
475	I	95.6	Very high	92.3	Very high	6 Å²	6	65.4 Å²	65.4	3%	0.031	35%	0.349	C	S	.	.			trans	-103.1	125.1	165.5	-52.8	-52.5	0	0	0	107.6	G472 K715 I737	G472-I475 WeakPolarHBondContact O-CB 3.36Å; G472-I475 PolarHBondContact O-N 3.33Å; I475-K715 HydrophobicContact CD1-CB 3.78Å; I475-K715 HydrophobicContact CD1-CD 4.17Å; I475-I737 HydrophobicContact CG2-CD1 4Å; I475-I737 HydrophobicContact CG2-CG1 4.22Å; I475-I737 HydrophobicContact CG2-CG2 4.01Å
476	P	95.8	Very high	92.3	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.006	36%	0.36	C	S	.	.			trans	-60.4	147.1	177.6	-25.9	35.3	0	0	0	112.8	W716 I737 F738 V772 Y774	P476-W716 HydrophobicContact CG-CD2 3.76Å; P476-W716 HydrophobicContact CG-CE3 4.11Å; P476-W716 HydrophobicContact CG-CG 4.3Å; P476-W716 HydrophobicContact CG-CH2 4.12Å; P476-W716 HydrophobicContact CG-CZ2 3.76Å; P476-W716 HydrophobicContact CG-CZ3 4.26Å; P476-I737 HydrophobicContact CB-CG2 4.24Å; P476-I737 WeakPolarHBondContact O-CG2 3.26Å; P476-F738 HydrophobicContact CB-CD1 4.11Å; P476-F738 HydrophobicContact CB-CE1 3.82Å; P476-F738 HydrophobicContact CG-CE1 4.27Å; P476-V772 HydrophobicContact CB-CG1 3.65Å; P476-V772 HydrophobicContact CG-CG1 3.53Å; P476-Y774 HydrophobicContact CG-CD1 4.47Å; P476-Y774 HydrophobicContact CG-CE1 3.83Å
477	R	93	Very high	92.5	Very high	168 Å²	168	63.6 Å²	63.6	63%	0.634	35%	0.347	S	S	*	.	S	Bend	trans	-93.2	-34.3	167.9	-71.2	-173.9	-74.2	153.1	-1.8	112.6	I773 Y774	R477-I773 PolarHBondContact N-O 3.02Å; R477-Y774 VanDerWaalsContact NE-C 3.31Å; R477-Y774 PolarHBondContact NE-O 3.23Å; R477-Y774 PolarHBondContact NE-OXT 3.06Å; R477-Y774 PolarHBondContact NH2-O 2.92Å; R477-Y774 PolarHBondContact NH2-OXT 2.85Å
478	H	94.1	Very high	92.8	Very high	92 Å²	92	59.3 Å²	59.3	43%	0.426	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	167.7	169.3	62.9	-73.5	0	0	0	111.2	I773	H478-I773 PolarHBondContact N-O 3.06Å; H478-I773 PolarHBondContact O-N 2.88Å
479	A	96.3	Very high	93.1	Very high	20 Å²	20	59.1 Å²	59.1	17%	0.165	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.9	169.5	0	0	0	0	0	110.4	F738 Y770 E771	A479-F738 HydrophobicContact CB-CD2 4.15Å; A479-F738 HydrophobicContact CB-CE1 4.15Å; A479-F738 HydrophobicContact CB-CE2 3.54Å; A479-F738 HydrophobicContact CB-CZ 3.55Å; A479-Y770 HydrophobicContact CB-CD1 4.08Å; A479-Y770 HydrophobicContact CB-CG 4.39Å; A479-E771 CarbonylContact C-O 3.54Å; A479-E771 WeakPolarHBondContact CA-O 3.34Å
480	R	95.6	Very high	93.6	Very high	133 Å²	133	60.5 Å²	60.5	50%	0.502	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	116.7	179.4	177.3	171.1	78.4	159.5	2.1	110	I482 Y770 E771 I773	R480-I482 HydrophobicContact CG-CG2 4.3Å; R480-I482 PolarHBondContact O-N 2.97Å; R480-Y770 CarbonylContact O-C 3.5Å; R480-Y770 VanDerWaalsContact O-CA 3.28Å; R480-Y770 WeakPolarHBondContact O-CA 3.38Å; R480-E771 IonicContact CZ-OE2 2.71Å; R480-E771 PolarHBondContact N-O 3.22Å; R480-E771 IonicContact NE-OE2 3.17Å; R480-E771 PolarHBondContact NE-OE2 2.67Å; R480-E771 IonicContact NH2-OE1 3.8Å; R480-E771 IonicContact NH2-OE2 3.37Å; R480-E771 PolarHBondContact NH2-OE2 2.93Å; R480-E771 PolarHBondContact O-N 3.46Å; R480-I773 HydrophobicContact CB-CG1 4.36Å
481	Q	94.7	Very high	94	Very high	106 Å²	106	56.5 Å²	56.5	50%	0.495	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	125.8	170.2	179.7	175.1	7.2	0	0	109.9	T484 T768 Y770	Q481-T484 PolarHBondContact NE2-OG1 2.81Å; Q481-T768 HydrophobicContact CB-CG2 4.48Å; Q481-T768 HydrophobicContact CG-CG2 3.65Å; Q481-Y770 HydrophobicContact CB-CD1 4.05Å; Q481-Y770 HydrophobicContact CB-CE1 4.02Å
482	I	93.1	Very high	94.4	Very high	61 Å²	61	51.2 Å²	51.2	31%	0.313	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-43.4	-179.8	52.9	163.3	0	0	0	112.8	R480 Y757 V769 E771	R480-I482 HydrophobicContact CG-CG2 4.3Å; R480-I482 PolarHBondContact O-N 2.97Å; I482-Y757 HydrophobicContact CD1-CD1 4.04Å; I482-Y757 HydrophobicContact CD1-CE1 3.71Å; I482-V769 HydrophobicContact CD1-CG1 4.14Å; I482-V769 HydrophobicContact CG1-CB 4.33Å; I482-V769 HydrophobicContact CG1-CG1 4.11Å; I482-V769 WeakPolarHBondContact CG1-O 3.46Å; I482-V769 PolarHBondContact N-O 2.85Å; I482-E771 HydrophobicContact CD1-CB 4.3Å; I482-E771 HydrophobicContact CG1-CB 4.48Å; I482-E771 HydrophobicContact CG2-CB 3.93Å
483	N	92.3	Very high	94.7	Very high	10 Å²	10	50.3 Å²	50.3	5%	0.053	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	152.5	-179	-65	41.7	0	0	0	110.8	L485 V769	N483-L485 HydrophobicContact CB-CD2 4.39Å; N483-V769 HydrophobicContact CB-CB 4.1Å; N483-V769 HydrophobicContact CB-CG2 4.21Å; N483-V769 PolarHBondContact N-O 3.44Å; N483-V769 PolarHBondContact O-N 2.98Å
484	T	94.3	Very high	95.1	Very high	57 Å²	57	45 Å²	45	35%	0.35	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	123.2	169	-54.4	0	0	0	0	108.1	Q481 K766	Q481-T484 PolarHBondContact NE2-OG1 2.81Å; T484-K766 HydrophobicContact CG2-CB 4.38Å; T484-K766 HydrophobicContact CG2-CD 4.06Å
485	L	94.3	Very high	95.4	Very high	2 Å²	2	44 Å²	44	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	100.7	-171.8	-52.9	177.7	0	0	0	109	N483 H487 V503 T505 W514 K766 A767 V769	N483-L485 HydrophobicContact CB-CD2 4.39Å; L485-H487 PolarHBondContact O-N 2.59Å; L485-V503 HydrophobicContact CD1-CB 3.97Å; L485-V503 HydrophobicContact CD1-CG1 3.71Å; L485-T505 HydrophobicContact CD1-CG2 4.37Å; L485-W514 HydrophobicContact CB-CD2 3.92Å; L485-W514 HydrophobicContact CB-CE3 4.21Å; L485-W514 HydrophobicContact CB-CG 4.31Å; L485-W514 HydrophobicContact CB-CZ2 4.26Å; L485-W514 HydrophobicContact CB-CZ3 4.5Å; L485-W514 HydrophobicContact CD1-CB 4.08Å; L485-W514 HydrophobicContact CD1-CD2 4.34Å; L485-W514 HydrophobicContact CD1-CG 3.84Å; L485-W514 HydrophobicContact CD2-CB 3.99Å; L485-W514 HydrophobicContact CD2-CD2 4.01Å; L485-W514 HydrophobicContact CD2-CE3 4Å; L485-W514 HydrophobicContact CD2-CG 4.01Å; L485-W514 HydrophobicContact CG-CD2 4.31Å; L485-W514 HydrophobicContact CG-CG 4.27Å; L485-K766 CarbonylContact O-C 3.53Å; L485-K766 VanDerWaalsContact O-CA 3.3Å; L485-K766 WeakPolarHBondContact O-CA 3.3Å; L485-A767 HydrophobicContact CB-CB 4.21Å; L485-A767 HydrophobicContact CD1-CB 4.39Å; L485-A767 PolarHBondContact N-O 2.7Å; L485-A767 PolarHBondContact O-N 3.48Å; L485-V769 HydrophobicContact CD1-CG2 3.74Å; L485-V769 HydrophobicContact CG-CG2 4.1Å
486	S	94.9	Very high	95.4	Very high	81 Å²	81	44.3 Å²	44.3	57%	0.566	23%	0.23	S	C	*	.			trans	-76.7	79.1	-173.2	-59.9	0	0	0	0	112.3	G488 W514	S486-G488 VanDerWaalsContact C-N 3.29Å; S486-G488 PolarHBondContact O-N 2.78Å; S486-W514 WeakPolarHBondContact O-CH2 3.4Å
487	H	94.9	Very high	95.3	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.009	23%	0.234	C	C	.	.			trans	-61.3	-34.1	-179.2	-169.1	94.7	0	0	0	113.1	L485 E489 V491 T505 K512 W514 K765	L485-H487 PolarHBondContact O-N 2.59Å; H487-E489 PolarHBondContact CD2-O 2.93Å; H487-E489 PolarHBondContact O-N 3Å; H487-V491 HydrophobicContact CB-CG2 3.55Å; H487-T505 PolarHBondContact CE1-O 3.43Å; H487-T505 PolarHBondContact ND1-O 3.04Å; H487-T505 PolarHBondContact ND1-OG1 3.38Å; H487-K512 PolarHBondContact O-NZ 3.39Å; H487-W514 HydrophobicContact CB-CZ2 4.41Å; H487-K765 PolarHBondContact N-O 3.27Å
488	G	93.9	Very high	95.2	Very high	42 Å²	42	40.7 Å²	40.7	43%	0.433	22%	0.224	S	C	.	.	S	Bend	trans	85.5	-14.6	-180	0	0	0	0	0	114.3	S486 K765	S486-G488 VanDerWaalsContact C-N 3.29Å; S486-G488 PolarHBondContact O-N 2.78Å; G488-K765 PolarHBondContact N-O 3.48Å; G488-K765 WeakPolarHBondContact O-CD 3.39Å; G488-K765 PolarHBondContact O-NZ 2.83Å
489	E	96.3	Very high	95	Very high	66 Å²	66	41.2 Å²	41.2	31%	0.308	24%	0.236	S	C	.	.	S	Bend	trans	-128.8	160	167.6	-68.8	-57.5	151.3	0	0	110.5	H487 V491 K508 K765	H487-E489 PolarHBondContact CD2-O 2.93Å; H487-E489 PolarHBondContact O-N 3Å; E489-V491 PolarHBondContact O-N 3.02Å; E489-K508 HydrophobicContact CB-CB 4Å; E489-K508 HydrophobicContact CG-CB 3.96Å; E489-K765 CarbonylContact O-C 3.56Å; E489-K765 VanDerWaalsContact O-CA 3.24Å; E489-K765 WeakPolarHBondContact O-CA 3.38Å; E489-K765 IonicContact OE1-NZ 2.87Å; E489-K765 PolarHBondContact OE1-NZ 2.83Å; E489-K765 IonicContact OE2-NZ 2.68Å; E489-K765 PolarHBondContact OE2-NZ 2.88Å
490	V	97.1	Very high	94.8	Very high	31 Å²	31	42 Å²	42	19%	0.188	24%	0.239	C	C	.	.			trans	-57.3	128.3	-175.3	178.4	0	0	0	0	110.2	C492 G507 Y536 L747 K765	V490-C492 PolarHBondContact O-N 2.69Å; V490-G507 VanDerWaalsContact O-CA 3.26Å; V490-G507 WeakPolarHBondContact O-CA 3.33Å; V490-Y536 HydrophobicContact CB-CE1 3.95Å; V490-L747 HydrophobicContact CG1-CD1 3.18Å; V490-K765 HydrophobicContact CG2-CG 4.12Å
491	V	97.9	Very high	94.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.238	C	C	.	.			trans	-94	88.6	-173.6	-174.4	0	0	0	0	110.5	H487 E489 A493 V494 T505 G506 S748 G761 S762 K766 A767	H487-V491 HydrophobicContact CB-CG2 3.55Å; E489-V491 PolarHBondContact O-N 3.02Å; V491-A493 WeakPolarHBondContact CG1-O 3.41Å; V491-V494 HydrophobicContact CG1-CG1 3.59Å; V491-T505 HydrophobicContact CG1-CG2 4.31Å; V491-G506 WeakPolarHBondContact CA-O 3.48Å; V491-S748 PolarHBondContact O-OG 3.25Å; V491-G761 CarbonylContact O-C 3.51Å; V491-G761 WeakPolarHBondContact O-CA 3.45Å; V491-S762 PolarHBondContact N-O 2.96Å; V491-K766 WeakPolarHBondContact CG2-O 3.4Å; V491-A767 HydrophobicContact CG1-CB 4.37Å
492	C	97.3	Very high	94.5	Very high	28 Å²	28	38.8 Å²	38.8	19%	0.189	22%	0.224	C	C	.	.			trans	-80.5	-16.7	-179.2	-65.1	0	0	0	0	113.5	V490 G506 I537 S748	V490-C492 PolarHBondContact O-N 2.69Å; C492-G506 PolarHBondContact N-O 3.44Å; C492-G506 VanDerWaalsContact N-O 3.15Å; C492-I537 VanDerWaalsContact CB-O 3.26Å; C492-I537 WeakPolarHBondContact CB-O 3.5Å; C492-S748 WeakPolarHBondContact O-CB 3.46Å
493	A	97.6	Very high	94.6	Very high	5 Å²	5	35.9 Å²	35.9	4%	0.041	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	142	175.2	0	0	0	0	0	112.1	V491 T505 G506 I537	V491-A493 WeakPolarHBondContact CG1-O 3.41Å; A493-T505 CarbonylContact O-C 3.49Å; A493-G506 PolarHBondContact N-O 3.14Å; A493-G506 PolarHBondContact O-N 3.16Å; A493-I537 HydrophobicContact CB-CG2 4.38Å
494	V	97.8	Very high	94.8	Very high	3 Å²	3	36 Å²	36	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	147	169.3	-66.5	0	0	0	0	110.5	V491 Y504 T505 D750 V759 A767	V491-V494 HydrophobicContact CG1-CG1 3.59Å; V494-Y504 CarbonylContact C-O 3.6Å; V494-Y504 VanDerWaalsContact CA-O 3.31Å; V494-Y504 WeakPolarHBondContact CA-O 3.39Å; V494-T505 HydrophobicContact CG1-CG2 4.35Å; V494-D750 HydrophobicContact CG2-CB 4.17Å; V494-V759 HydrophobicContact CB-CG1 3.93Å; V494-V759 HydrophobicContact CG1-CG1 3.94Å; V494-V759 HydrophobicContact CG2-CB 4.44Å; V494-V759 HydrophobicContact CG2-CG1 4.24Å; V494-A767 HydrophobicContact CG1-CB 4.29Å
495	T	97.1	Very high	94.9	Very high	10 Å²	10	33.2 Å²	33.2	6%	0.061	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	158.8	160.1	-166.5	0	0	0	0	112	Y504 L542 L549 D750	T495-Y504 HydrophobicContact CG2-CD2 4.34Å; T495-Y504 HydrophobicContact CG2-CG 4.39Å; T495-Y504 PolarHBondContact N-O 2.88Å; T495-Y504 PolarHBondContact O-N 3.25Å; T495-L542 HydrophobicContact CG2-CD1 4.39Å; T495-L542 HydrophobicContact CG2-CG 4.2Å; T495-L549 HydrophobicContact CG2-CD1 4.13Å; T495-D750 WeakPolarHBondContact CA-OD2 3.29Å; T495-D750 WeakPolarHBondContact CB-OD2 3.43Å; T495-D750 PolarHBondContact OG1-OD2 3.29Å
496	I	95.4	Very high	95.1	Very high	13 Å²	13	33.1 Å²	33.1	7%	0.067	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	142.2	-174.3	-166.9	162.6	0	0	0	112.2	T500 V503 I516 D750 V759	I496-T500 HydrophobicContact CD1-CG2 3.47Å; I496-T500 VanDerWaalsContact CD1-CG2 3.47Å; I496-T500 HydrophobicContact CG1-CG2 3.86Å; I496-V503 HydrophobicContact CD1-CG2 4.01Å; I496-V503 HydrophobicContact CG1-CG2 4.04Å; I496-I516 HydrophobicContact CD1-CD1 3.99Å; I496-D750 PolarHBondContact N-OD2 2.88Å; I496-V759 HydrophobicContact CB-CG2 4.36Å; I496-V759 HydrophobicContact CD1-CG2 3.85Å
497	S	93.9	Very high	95.1	Very high	11 Å²	11	29.3 Å²	29.3	8%	0.077	16%	0.164	C	C	.	.			trans	-70.3	153.1	-176.9	72	0	0	0	0	113.4	P499 T500 R501 H502	S497-P499 CarbonylContact C-O 3.59Å; S497-P499 VanDerWaalsContact C-O 3.29Å; S497-P499 CarbonylContact O-C 3.58Å; S497-P499 VanDerWaalsContact O-O 3.11Å; S497-P499 PolarHBondContact OG-O 3.37Å; S497-T500 VanDerWaalsContact O-CA 3.31Å; S497-T500 WeakPolarHBondContact O-CA 3.3Å; S497-T500 PolarHBondContact O-N 2.7Å; S497-R501 PolarHBondContact OG-N 3.31Å; S497-H502 PolarHBondContact N-O 2.9Å; S497-H502 PolarHBondContact OG-N 2.89Å; S497-H502 PolarHBondContact OG-O 2.92Å
498	N	90.4	Very high	95.1	Very high	81 Å²	81	31.8 Å²	31.8	43%	0.433	18%	0.175	S	C	.	.	S	Bend	trans	-113.4	119	163.7	-177.7	8.2	0	0	0	108.5	I753	N498-I753 HydrophobicContact CB-CG2 4.34Å
499	P	90.4	Very high	95	Very high	103 Å²	103	29.9 Å²	29.9	67%	0.669	16%	0.155	S	C	*	.	S	Bend	cis	-67.3	162.4	-5.6	30.9	-36.9	0	0	0	112.5	S497 R501	S497-P499 CarbonylContact C-O 3.59Å; S497-P499 VanDerWaalsContact C-O 3.29Å; S497-P499 CarbonylContact O-C 3.58Å; S497-P499 VanDerWaalsContact O-O 3.11Å; S497-P499 PolarHBondContact OG-O 3.37Å; P499-R501 PolarHBondContact O-N 3.25Å
500	T	91.1	Very high	94.9	Very high	38 Å²	38	27.2 Å²	27.2	23%	0.233	14%	0.144	C	C	.	.	S	Bend	trans	-69.1	95.3	-170.3	-25.8	0	0	0	0	112.3	I496 S497 D754 Y757	I496-T500 HydrophobicContact CD1-CG2 3.47Å; I496-T500 VanDerWaalsContact CD1-CG2 3.47Å; I496-T500 HydrophobicContact CG1-CG2 3.86Å; S497-T500 VanDerWaalsContact O-CA 3.31Å; S497-T500 WeakPolarHBondContact O-CA 3.3Å; S497-T500 PolarHBondContact O-N 2.7Å; T500-D754 PolarHBondContact OG1-OD1 3.04Å; T500-Y757 HydrophobicContact CG2-CD2 3.64Å; T500-Y757 HydrophobicContact CG2-CE2 4.13Å; T500-Y757 HydrophobicContact CG2-CG 4.31Å
501	R	90.9	Very high	94.9	Very high	127 Å²	127	25.8 Å²	25.8	48%	0.479	14%	0.135	S	C	.	.			trans	-143.8	-44	-177.7	178.7	177.8	173.2	-164.9	-6.2	113.5	S497 P499 D515 I516	S497-R501 PolarHBondContact OG-N 3.31Å; P499-R501 PolarHBondContact O-N 3.25Å; R501-D515 WeakPolarHBondContact CG-OD1 3.46Å; R501-D515 IonicContact CZ-OD2 3.22Å; R501-D515 VanDerWaalsContact CZ-OD2 3.22Å; R501-D515 IonicContact NE-OD1 3.67Å; R501-D515 IonicContact NE-OD2 2.85Å; R501-D515 PolarHBondContact NE-OD2 2.79Å; R501-D515 IonicContact NH2-OD2 2.73Å; R501-D515 PolarHBondContact NH2-OD2 2.96Å; R501-I516 WeakPolarHBondContact O-CG1 3.26Å; R501-I516 PolarHBondContact O-N 2.96Å
502	H	92.8	Very high	94.8	Very high	43 Å²	43	27.6 Å²	27.6	20%	0.199	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.2	-178.3	-60.3	118.3	0	0	0	111.1	S497 Y504 V513 W514 D515	S497-H502 PolarHBondContact N-O 2.9Å; S497-H502 PolarHBondContact OG-N 2.89Å; S497-H502 PolarHBondContact OG-O 2.92Å; H502-Y504 HydrophobicContact CB-CE2 3.79Å; H502-V513 HydrophobicContact CB-CG1 4.1Å; H502-W514 CarbonylContact C-O 3.55Å; H502-W514 VanDerWaalsContact CA-O 3.23Å; H502-W514 WeakPolarHBondContact CA-O 3.42Å; H502-D515 IonicContact NE2-OD2 3.74Å
503	V	95.6	Very high	94.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	139	167.9	174.7	0	0	0	0	108.5	L485 I496 T505 V513 W514 I516 V759 V769	L485-V503 HydrophobicContact CD1-CB 3.97Å; L485-V503 HydrophobicContact CD1-CG1 3.71Å; I496-V503 HydrophobicContact CD1-CG2 4.01Å; I496-V503 HydrophobicContact CG1-CG2 4.04Å; V503-T505 HydrophobicContact CG1-CG2 4.13Å; V503-V513 CarbonylContact O-C 3.39Å; V503-V513 WeakPolarHBondContact O-CA 3.5Å; V503-W514 PolarHBondContact N-O 3.47Å; V503-W514 PolarHBondContact O-N 2.83Å; V503-I516 HydrophobicContact CB-CG2 4.24Å; V503-I516 HydrophobicContact CG2-CD1 3.93Å; V503-I516 HydrophobicContact CG2-CG1 4.18Å; V503-I516 HydrophobicContact CG2-CG2 3.63Å; V503-V759 HydrophobicContact CG1-CG1 3.75Å; V503-V759 HydrophobicContact CG1-CG2 4.18Å; V503-V759 HydrophobicContact CG2-CG2 3.89Å; V503-V769 HydrophobicContact CG2-CG2 4.46Å
504	Y	96.6	Very high	94.5	Very high	12 Å²	12	26.6 Å²	26.6	5%	0.047	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.4	177.9	-61.1	-99.9	0	0	0	107.7	V494 T495 H502 V511 V513 L528 L542 L549 L563	V494-Y504 CarbonylContact C-O 3.6Å; V494-Y504 VanDerWaalsContact CA-O 3.31Å; V494-Y504 WeakPolarHBondContact CA-O 3.39Å; T495-Y504 HydrophobicContact CG2-CD2 4.34Å; T495-Y504 HydrophobicContact CG2-CG 4.39Å; T495-Y504 PolarHBondContact N-O 2.88Å; T495-Y504 PolarHBondContact O-N 3.25Å; H502-Y504 HydrophobicContact CB-CE2 3.79Å; Y504-V511 HydrophobicContact CD1-CG1 4.35Å; Y504-V513 HydrophobicContact CD1-CB 4.48Å; Y504-V513 HydrophobicContact CD1-CG1 4.2Å; Y504-V513 HydrophobicContact CD1-CG2 3.79Å; Y504-V513 HydrophobicContact CE1-CB 4.37Å; Y504-V513 HydrophobicContact CE1-CG1 3.78Å; Y504-V513 HydrophobicContact CE1-CG2 3.73Å; Y504-L528 HydrophobicContact CD1-CD1 4.37Å; Y504-L542 HydrophobicContact CD2-CD1 4.05Å; Y504-L542 HydrophobicContact CE2-CD1 3.79Å; Y504-L542 HydrophobicContact CE2-CD2 4.19Å; Y504-L542 HydrophobicContact CE2-CG 4.45Å; Y504-L549 HydrophobicContact CD1-CD1 4.31Å; Y504-L549 HydrophobicContact CD1-CD2 3.86Å; Y504-L549 HydrophobicContact CE1-CD2 4.33Å; Y504-L549 HydrophobicContact CG-CD1 4.45Å; Y504-L563 HydrophobicContact CE1-CD1 3.96Å; Y504-L563 HydrophobicContact CE1-CD2 4.26Å; Y504-L563 WeakPolarHBondContact OH-CD1 3.24Å
505	T	97.6	Very high	94.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	114.3	178.7	59.1	0	0	0	0	109.1	L485 H487 V491 A493 V494 V503 V511 K512 W514 A767	L485-T505 HydrophobicContact CD1-CG2 4.37Å; H487-T505 PolarHBondContact CE1-O 3.43Å; H487-T505 PolarHBondContact ND1-O 3.04Å; H487-T505 PolarHBondContact ND1-OG1 3.38Å; V491-T505 HydrophobicContact CG1-CG2 4.31Å; A493-T505 CarbonylContact O-C 3.49Å; V494-T505 HydrophobicContact CG1-CG2 4.35Å; V503-T505 HydrophobicContact CG1-CG2 4.13Å; T505-V511 CarbonylContact O-C 3.52Å; T505-V511 VanDerWaalsContact O-CA 3.3Å; T505-V511 WeakPolarHBondContact O-CA 3.47Å; T505-K512 PolarHBondContact N-O 3Å; T505-K512 PolarHBondContact O-N 2.84Å; T505-K512 PolarHBondContact OG1-O 3.47Å; T505-W514 PolarHBondContact OG1-NE1 2.82Å; T505-A767 HydrophobicContact CG2-CB 3.57Å
506	G	97.2	Very high	93.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.5	172.6	0	0	0	0	0	111.1	V491 C492 A493	V491-G506 WeakPolarHBondContact CA-O 3.48Å; C492-G506 PolarHBondContact N-O 3.44Å; C492-G506 VanDerWaalsContact N-O 3.15Å; A493-G506 PolarHBondContact N-O 3.14Å; A493-G506 PolarHBondContact O-N 3.16Å
507	G	95.8	Very high	93.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.155	C	C	.	.			trans	-129.9	-138.6	173.5	0	0	0	0	0	111.3	V490 G509 C510 I537	V490-G507 VanDerWaalsContact O-CA 3.26Å; V490-G507 WeakPolarHBondContact O-CA 3.33Å; G507-G509 PolarHBondContact O-N 3.1Å; G507-C510 PolarHBondContact N-O 3.14Å; G507-C510 VanDerWaalsContact N-O 3.1Å; G507-I537 WeakPolarHBondContact O-CB 3.49Å; G507-I537 PolarHBondContact O-N 3.13Å
508	K	95.4	Very high	92.5	Very high	55 Å²	55	34.8 Å²	34.8	24%	0.239	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-77.6	117.5	179.6	-155.9	172.6	173.5	-92.3	0	110.1	E489 C510 R533 D534 Y536	E489-K508 HydrophobicContact CB-CB 4Å; E489-K508 HydrophobicContact CG-CB 3.96Å; K508-C510 PolarHBondContact O-N 2.79Å; K508-R533 WeakPolarHBondContact CG-O 3.45Å; K508-R533 PolarHBondContact NZ-O 3.12Å; K508-D534 WeakPolarHBondContact CE-O 3.46Å; K508-D534 IonicContact NZ-OD1 2.83Å; K508-D534 PolarHBondContact NZ-OD1 3.45Å; K508-Y536 HydrophobicContact CB-CD1 4.01Å; K508-Y536 HydrophobicContact CB-CE1 3.77Å; K508-Y536 HydrophobicContact CD-CE1 4.28Å; K508-Y536 HydrophobicContact CG-CD1 4.35Å; K508-Y536 HydrophobicContact CG-CE1 4.08Å
509	G	91.6	Very high	91.4	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.01	19%	0.189	C	C	.	.	S	Bend	trans	68.2	-29.5	179.8	0	0	0	0	0	117.4	G507 C530 L531 N532 N535	G507-G509 PolarHBondContact O-N 3.1Å; G509-C530 PolarHBondContact O-N 2.89Å; G509-L531 PolarHBondContact O-N 3.24Å; G509-N532 WeakPolarHBondContact CA-O 3.44Å; G509-N535 PolarHBondContact N-O 2.99Å
510	C	94.5	Very high	90.2	Very high	11 Å²	11	34.1 Å²	34.1	7%	0.074	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	148.9	-169	68.4	0	0	0	0	115.1	G507 K508 Q527 L528 D529	G507-C510 PolarHBondContact N-O 3.14Å; G507-C510 VanDerWaalsContact N-O 3.1Å; K508-C510 PolarHBondContact O-N 2.79Å; C510-Q527 HydrophobicContact CB-CG 3.85Å; C510-L528 CarbonylContact C-O 3.59Å; C510-L528 WeakPolarHBondContact CA-O 3.34Å; C510-L528 VanDerWaalsContact CB-O 3.3Å; C510-L528 WeakPolarHBondContact CB-O 3.23Å; C510-D529 WeakPolarHBondContact CB-OD1 3.26Å
511	V	96.8	Very high	89.4	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	127.9	163.4	-175.6	0	0	0	0	108.6	Y504 T505 L528 I537 L549 V551	Y504-V511 HydrophobicContact CD1-CG1 4.35Å; T505-V511 CarbonylContact O-C 3.52Å; T505-V511 VanDerWaalsContact O-CA 3.3Å; T505-V511 WeakPolarHBondContact O-CA 3.47Å; V511-L528 HydrophobicContact CB-CB 4.08Å; V511-L528 HydrophobicContact CB-CD1 3.71Å; V511-L528 HydrophobicContact CB-CG 4.46Å; V511-L528 HydrophobicContact CG1-CD1 3.87Å; V511-L528 PolarHBondContact N-O 3.26Å; V511-L528 WeakPolarHBondContact O-CB 3.48Å; V511-L528 PolarHBondContact O-N 2.83Å; V511-I537 HydrophobicContact CG2-CD1 3.5Å; V511-I537 HydrophobicContact CG2-CG2 4.28Å; V511-L549 HydrophobicContact CG1-CD2 4.43Å; V511-V551 HydrophobicContact CG2-CG1 3.97Å; V511-V551 HydrophobicContact CG2-CG2 4Å
512	K	95.3	Very high	88.8	Confident	39 Å²	39	35.9 Å²	35.9	17%	0.17	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	135.8	171.3	-70.4	176.9	-177.7	173.4	0	110.1	H487 T505 W514 P524 Q527	H487-K512 PolarHBondContact O-NZ 3.39Å; T505-K512 PolarHBondContact N-O 3Å; T505-K512 PolarHBondContact O-N 2.84Å; T505-K512 PolarHBondContact OG1-O 3.47Å; K512-W514 HydrophobicContact CB-CZ2 3.91Å; K512-W514 HydrophobicContact CD-CZ2 4.09Å; K512-W514 PolarHBondContact O-NE1 3.16Å; K512-P524 HydrophobicContact CB-CB 4.05Å; K512-P524 HydrophobicContact CD-CG 4.36Å; K512-P524 HydrophobicContact CG-CB 4.38Å; K512-Q527 HydrophobicContact CG-CB 4.46Å; K512-Q527 HydrophobicContact CG-CG 4.12Å
513	V	94.7	Very high	88.6	Confident	7 Å²	7	38.1 Å²	38.1	4%	0.042	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	132.9	178.9	-168	0	0	0	0	108.8	H502 V503 Y504 P524 V525 S526 L528	H502-V513 HydrophobicContact CB-CG1 4.1Å; V503-V513 CarbonylContact O-C 3.39Å; V503-V513 WeakPolarHBondContact O-CA 3.5Å; Y504-V513 HydrophobicContact CD1-CB 4.48Å; Y504-V513 HydrophobicContact CD1-CG1 4.2Å; Y504-V513 HydrophobicContact CD1-CG2 3.79Å; Y504-V513 HydrophobicContact CE1-CB 4.37Å; Y504-V513 HydrophobicContact CE1-CG1 3.78Å; Y504-V513 HydrophobicContact CE1-CG2 3.73Å; V513-P524 CarbonylContact O-C 3.44Å; V513-P524 WeakPolarHBondContact O-CA 3.49Å; V513-P524 WeakPolarHBondContact O-CB 3.36Å; V513-V525 HydrophobicContact CB-CG2 4.13Å; V513-V525 HydrophobicContact CG1-CG2 3.97Å; V513-V525 WeakPolarHBondContact O-CG2 3.44Å; V513-V525 PolarHBondContact O-N 3.29Å; V513-S526 PolarHBondContact N-O 2.88Å; V513-L528 HydrophobicContact CG2-CD1 3.63Å; V513-L528 HydrophobicContact CG2-CG 4.22Å
514	W	94.1	Very high	88.4	Confident	4 Å²	4	40.5 Å²	40.5	2%	0.015	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.3	-176.5	-47.6	83.8	0	0	0	109.5	L485 S486 H487 H502 V503 T505 K512 P524	L485-W514 HydrophobicContact CB-CD2 3.92Å; L485-W514 HydrophobicContact CB-CE3 4.21Å; L485-W514 HydrophobicContact CB-CG 4.31Å; L485-W514 HydrophobicContact CB-CZ2 4.26Å; L485-W514 HydrophobicContact CB-CZ3 4.5Å; L485-W514 HydrophobicContact CD1-CB 4.08Å; L485-W514 HydrophobicContact CD1-CD2 4.34Å; L485-W514 HydrophobicContact CD1-CG 3.84Å; L485-W514 HydrophobicContact CD2-CB 3.99Å; L485-W514 HydrophobicContact CD2-CD2 4.01Å; L485-W514 HydrophobicContact CD2-CE3 4Å; L485-W514 HydrophobicContact CD2-CG 4.01Å; L485-W514 HydrophobicContact CG-CD2 4.31Å; L485-W514 HydrophobicContact CG-CG 4.27Å; S486-W514 WeakPolarHBondContact O-CH2 3.4Å; H487-W514 HydrophobicContact CB-CZ2 4.41Å; H502-W514 CarbonylContact C-O 3.55Å; H502-W514 VanDerWaalsContact CA-O 3.23Å; H502-W514 WeakPolarHBondContact CA-O 3.42Å; V503-W514 PolarHBondContact N-O 3.47Å; V503-W514 PolarHBondContact O-N 2.83Å; T505-W514 PolarHBondContact OG1-NE1 2.82Å; K512-W514 HydrophobicContact CB-CZ2 3.91Å; K512-W514 HydrophobicContact CD-CZ2 4.09Å; K512-W514 PolarHBondContact O-NE1 3.16Å; W514-P524 HydrophobicContact CD2-CB 4.25Å; W514-P524 HydrophobicContact CE3-CB 4.17Å; W514-P524 HydrophobicContact CH2-CB 4.25Å; W514-P524 HydrophobicContact CH2-CG 4.35Å; W514-P524 HydrophobicContact CZ2-CB 4.33Å; W514-P524 HydrophobicContact CZ3-CB 4.18Å; W514-P524 HydrophobicContact CZ3-CG 4.4Å
515	D	91.9	Very high	88.1	Confident	13 Å²	13	43.2 Å²	43.2	7%	0.07	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	110.2	171.1	-167.8	-23.5	0	0	0	109.4	R501 H502 S517 V525	R501-D515 WeakPolarHBondContact CG-OD1 3.46Å; R501-D515 IonicContact CZ-OD2 3.22Å; R501-D515 VanDerWaalsContact CZ-OD2 3.22Å; R501-D515 IonicContact NE-OD1 3.67Å; R501-D515 IonicContact NE-OD2 2.85Å; R501-D515 PolarHBondContact NE-OD2 2.79Å; R501-D515 IonicContact NH2-OD2 2.73Å; R501-D515 PolarHBondContact NH2-OD2 2.96Å; H502-D515 IonicContact NE2-OD2 3.74Å; D515-S517 VanDerWaalsContact OD1-CB 3.28Å; D515-S517 WeakPolarHBondContact OD1-CB 3.34Å; D515-S517 PolarHBondContact OD1-N 3.34Å; D515-S517 PolarHBondContact OD1-OG 2.57Å; D515-V525 HydrophobicContact CB-CG1 3.87Å
516	I	89.8	Confident	87.8	Confident	14 Å²	14	44.9 Å²	44.9	7%	0.072	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-4.7	-178.9	58.9	158	0	0	0	113.2	I496 R501 V503 H518 V769	I496-I516 HydrophobicContact CD1-CD1 3.99Å; R501-I516 WeakPolarHBondContact O-CG1 3.26Å; R501-I516 PolarHBondContact O-N 2.96Å; V503-I516 HydrophobicContact CB-CG2 4.24Å; V503-I516 HydrophobicContact CG2-CD1 3.93Å; V503-I516 HydrophobicContact CG2-CG1 4.18Å; V503-I516 HydrophobicContact CG2-CG2 3.63Å; I516-H518 PolarHBondContact O-N 2.75Å; I516-V769 HydrophobicContact CG2-CG2 4.3Å
517	S	85.5	Confident	87.6	Confident	61 Å²	61	49.5 Å²	49.5	43%	0.427	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.1	176	65.5	0	0	0	0	113.5	D515	D515-S517 VanDerWaalsContact OD1-CB 3.28Å; D515-S517 WeakPolarHBondContact OD1-CB 3.34Å; D515-S517 PolarHBondContact OD1-N 3.34Å; D515-S517 PolarHBondContact OD1-OG 2.57Å
518	H	74.8	Confident	87.4	Confident	122 Å²	122	49.5 Å²	49.5	57%	0.565	28%	0.284	S	S	*	.	S	Bend	trans	-119.6	99	179.3	-67.7	73.3	0	0	0	110	I516 G520 N521	I516-H518 PolarHBondContact O-N 2.75Å; H518-G520 PolarHBondContact O-N 2.91Å; H518-N521 HydrophobicContact CB-CB 4.5Å; H518-N521 PolarHBondContact O-N 2.81Å
519	P	67.3	Low	87.3	Confident	101 Å²	101	49.8 Å²	49.8	66%	0.656	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-15.6	-175.2	-28.5	36.3	0	0	0	116.1
520	G	65.4	Low	87	Confident	69 Å²	69	50.3 Å²	50.3	71%	0.711	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-15.5	173.7	0	0	0	0	0	115	H518 K522	H518-G520 PolarHBondContact O-N 2.91Å; G520-K522 PolarHBondContact O-N 3.36Å
521	N	73.6	Confident	86.5	Confident	38 Å²	38	50.7 Å²	50.7	20%	0.203	29%	0.292	C	S	.	.			trans	-78.3	113.9	-174.8	-172.6	12.7	0	0	0	111.7	H518 T523	H518-N521 HydrophobicContact CB-CB 4.5Å; H518-N521 PolarHBondContact O-N 2.81Å; N521-T523 PolarHBondContact ND2-O 2.9Å; N521-T523 PolarHBondContact OD1-N 3.42Å; N521-T523 PolarHBondContact OD1-O 3.32Å; N521-T523 PolarHBondContact OD1-OG1 3.45Å
522	K	79.7	Confident	85.9	Confident	163 Å²	163	55.5 Å²	55.5	71%	0.709	32%	0.318	S	S	*	.			trans	-110.1	8.7	177.7	-63.4	-177.3	-179.3	179.7	0	113.2	G520	G520-K522 PolarHBondContact O-N 3.36Å
523	T	87.6	Confident	85.4	Confident	90 Å²	90	61.7 Å²	61.7	55%	0.552	34%	0.34	S	S	*	.	S	Bend	trans	-117	144	-178.8	43.4	0	0	0	0	111	N521	N521-T523 PolarHBondContact ND2-O 2.9Å; N521-T523 PolarHBondContact OD1-N 3.42Å; N521-T523 PolarHBondContact OD1-O 3.32Å; N521-T523 PolarHBondContact OD1-OG1 3.45Å
524	P	91.6	Very high	85.2	Confident	50 Å²	50	66.3 Å²	66.3	33%	0.325	37%	0.365	S	S	.	.			trans	-68.2	137.4	175.2	30.8	-34.9	0	0	0	109.8	K512 V513 W514 S526	K512-P524 HydrophobicContact CB-CB 4.05Å; K512-P524 HydrophobicContact CD-CG 4.36Å; K512-P524 HydrophobicContact CG-CB 4.38Å; V513-P524 CarbonylContact O-C 3.44Å; V513-P524 WeakPolarHBondContact O-CA 3.49Å; V513-P524 WeakPolarHBondContact O-CB 3.36Å; W514-P524 HydrophobicContact CD2-CB 4.25Å; W514-P524 HydrophobicContact CE3-CB 4.17Å; W514-P524 HydrophobicContact CH2-CB 4.25Å; W514-P524 HydrophobicContact CH2-CG 4.35Å; W514-P524 HydrophobicContact CZ2-CB 4.33Å; W514-P524 HydrophobicContact CZ3-CB 4.18Å; W514-P524 HydrophobicContact CZ3-CG 4.4Å; P524-S526 VanDerWaalsContact C-N 3.32Å
525	V	90.9	Very high	85.2	Confident	70 Å²	70	68.2 Å²	68.2	42%	0.424	38%	0.375	S	S	.	.	S	Bend	trans	-79.3	-18.5	176	-63	0	0	0	0	112.3	V513 D515	V513-V525 HydrophobicContact CB-CG2 4.13Å; V513-V525 HydrophobicContact CG1-CG2 3.97Å; V513-V525 WeakPolarHBondContact O-CG2 3.44Å; V513-V525 PolarHBondContact O-N 3.29Å; D515-V525 HydrophobicContact CB-CG1 3.87Å
526	S	90.4	Very high	85.4	Confident	35 Å²	35	70.4 Å²	70.4	25%	0.245	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	155.8	173.6	-74.1	0	0	0	0	110.6	V513 P524	V513-S526 PolarHBondContact N-O 2.88Å; P524-S526 VanDerWaalsContact C-N 3.32Å
527	Q	92.6	Very high	85.8	Confident	97 Å²	97	69.8 Å²	69.8	45%	0.453	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	136.5	170.7	-176.3	174.3	-53.6	0	0	109.1	C510 K512 D529	C510-Q527 HydrophobicContact CB-CG 3.85Å; K512-Q527 HydrophobicContact CG-CB 4.46Å; K512-Q527 HydrophobicContact CG-CG 4.12Å; Q527-D529 PolarHBondContact NE2-OD1 2.97Å
528	L	92.7	Very high	86.3	Confident	0 Å²	0	71 Å²	71	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	97.6	-177	-56.4	153.3	0	0	0	106	Y504 C510 V511 V513 C530 L549 W561 P568	Y504-L528 HydrophobicContact CD1-CD1 4.37Å; C510-L528 CarbonylContact C-O 3.59Å; C510-L528 WeakPolarHBondContact CA-O 3.34Å; C510-L528 VanDerWaalsContact CB-O 3.3Å; C510-L528 WeakPolarHBondContact CB-O 3.23Å; V511-L528 HydrophobicContact CB-CB 4.08Å; V511-L528 HydrophobicContact CB-CD1 3.71Å; V511-L528 HydrophobicContact CB-CG 4.46Å; V511-L528 HydrophobicContact CG1-CD1 3.87Å; V511-L528 PolarHBondContact N-O 3.26Å; V511-L528 WeakPolarHBondContact O-CB 3.48Å; V511-L528 PolarHBondContact O-N 2.83Å; V513-L528 HydrophobicContact CG2-CD1 3.63Å; V513-L528 HydrophobicContact CG2-CG 4.22Å; L528-C530 PolarHBondContact O-N 3.39Å; L528-C530 PolarHBondContact O-SG 3.28Å; L528-L549 HydrophobicContact CD1-CD2 3.79Å; L528-W561 HydrophobicContact CB-CD2 4.38Å; L528-W561 HydrophobicContact CB-CH2 4.14Å; L528-W561 HydrophobicContact CB-CZ2 3.99Å; L528-W561 HydrophobicContact CB-CZ3 4.4Å; L528-W561 HydrophobicContact CD2-CD2 3.64Å; L528-W561 HydrophobicContact CD2-CE3 3.3Å; L528-W561 HydrophobicContact CD2-CG 4.24Å; L528-W561 HydrophobicContact CD2-CH2 4.22Å; L528-W561 HydrophobicContact CD2-CZ2 4.49Å; L528-W561 HydrophobicContact CD2-CZ3 3.63Å; L528-P568 HydrophobicContact CD2-CB 3.32Å; L528-P568 HydrophobicContact CD2-CG 3.99Å
529	D	91.9	Very high	87.4	Confident	61 Å²	61	65.5 Å²	65.5	33%	0.326	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	98.8	175	-82.8	17.8	0	0	0	107.8	C510 Q527 R533 W561	C510-D529 WeakPolarHBondContact CB-OD1 3.26Å; Q527-D529 PolarHBondContact NE2-OD1 2.97Å; D529-R533 IonicContact OD2-CZ 3.96Å; D529-R533 IonicContact OD2-NE 2.97Å; D529-R533 PolarHBondContact OD2-NE 2.72Å; D529-R533 IonicContact OD2-NH2 2.75Å; D529-R533 PolarHBondContact OD2-NH2 3.34Å; D529-W561 WeakPolarHBondContact O-CZ2 3.32Å
530	C	85.9	Confident	88.8	Confident	12 Å²	12	60.7 Å²	60.7	8%	0.081	32%	0.319	C	S	.	.			trans	-98.7	-41.8	-168	-55	0	0	0	0	113.2	G509 L528 I537 V551 S559 W561	G509-C530 PolarHBondContact O-N 2.89Å; L528-C530 PolarHBondContact O-N 3.39Å; L528-C530 PolarHBondContact O-SG 3.28Å; C530-I537 HydrophobicContact CB-CD1 4.14Å; C530-V551 HydrophobicContact CB-CG1 4.01Å; C530-S559 PolarHBondContact O-OG 2.94Å; C530-W561 HydrophobicContact CB-CZ2 4.46Å; C530-W561 PolarHBondContact SG-NE1 2.75Å
531	L	83.4	Confident	90.3	Very high	18 Å²	18	60.7 Å²	60.7	9%	0.094	30%	0.298	C	S	.	.	S	Bend	trans	-125.1	174.6	-174.1	-59.2	-177.1	0	0	0	109.8	G509 R533 I537 A555	G509-L531 PolarHBondContact O-N 3.24Å; L531-R533 PolarHBondContact O-N 3.19Å; L531-I537 HydrophobicContact CD1-CG1 4.08Å; L531-I537 HydrophobicContact CG-CG1 4.48Å; L531-A555 HydrophobicContact CD1-CB 4.12Å; L531-A555 HydrophobicContact CD2-CB 3.7Å; L531-A555 HydrophobicContact CG-CB 4.43Å
532	N	85	Confident	91.3	Very high	101 Å²	101	60.1 Å²	60.1	54%	0.54	30%	0.295	S	S	.	.			trans	-54.9	143.3	167.9	-175.9	28.8	0	0	0	110.5	G509 D534 N535	G509-N532 WeakPolarHBondContact CA-O 3.44Å; N532-D534 PolarHBondContact O-N 3.42Å; N532-N535 PolarHBondContact O-N 2.92Å
533	R	84.3	Confident	92	Very high	169 Å²	169	53.2 Å²	53.2	64%	0.638	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	4	-174.6	-68.6	-176.8	172.3	-178.7	-1.9	114.6	K508 D529 L531	K508-R533 WeakPolarHBondContact CG-O 3.45Å; K508-R533 PolarHBondContact NZ-O 3.12Å; D529-R533 IonicContact OD2-CZ 3.96Å; D529-R533 IonicContact OD2-NE 2.97Å; D529-R533 PolarHBondContact OD2-NE 2.72Å; D529-R533 IonicContact OD2-NH2 2.75Å; D529-R533 PolarHBondContact OD2-NH2 3.34Å; L531-R533 PolarHBondContact O-N 3.19Å
534	D	90.3	Very high	92	Very high	105 Å²	105	52.8 Å²	52.8	56%	0.561	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-13.3	172.9	-70.6	-52.6	0	0	0	115.4	K508 N532	K508-D534 WeakPolarHBondContact CE-O 3.46Å; K508-D534 IonicContact NZ-OD1 2.83Å; K508-D534 PolarHBondContact NZ-OD1 3.45Å; N532-D534 PolarHBondContact O-N 3.42Å
535	N	94.8	Very high	91.8	Very high	43 Å²	43	54.2 Å²	54.2	23%	0.23	27%	0.269	C	S	.	.	S	Bend	trans	-103.9	136.2	-169.5	-54	27.3	0	0	0	109.7	G509 N532 E554	G509-N535 PolarHBondContact N-O 2.99Å; N532-N535 PolarHBondContact O-N 2.92Å; N535-E554 HydrophobicContact CB-CB 4.08Å; N535-E554 WeakPolarHBondContact CB-O 3.44Å; N535-E554 PolarHBondContact ND2-O 2.82Å
536	Y	96.4	Very high	91.6	Very high	60 Å²	60	52 Å²	52	24%	0.235	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-81.1	141.2	177.8	-70.7	-83.3	0	0	0	112.6	V490 K508 G553 E554	V490-Y536 HydrophobicContact CB-CE1 3.95Å; K508-Y536 HydrophobicContact CB-CD1 4.01Å; K508-Y536 HydrophobicContact CB-CE1 3.77Å; K508-Y536 HydrophobicContact CD-CE1 4.28Å; K508-Y536 HydrophobicContact CG-CD1 4.35Å; K508-Y536 HydrophobicContact CG-CE1 4.08Å; Y536-G553 CarbonylContact O-C 3.59Å; Y536-G553 VanDerWaalsContact O-CA 3.3Å; Y536-G553 WeakPolarHBondContact O-CA 3.11Å; Y536-E554 WeakPolarHBondContact CB-OE2 3.33Å; Y536-E554 WeakPolarHBondContact CD2-OE2 3.44Å; Y536-E554 PolarHBondContact N-OE2 2.9Å; Y536-E554 PolarHBondContact O-N 3.12Å
537	I	97.4	Very high	91.6	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	120.4	167.1	-63.5	178	0	0	0	107.9	C492 A493 G507 V511 C530 L531 V551	C492-I537 VanDerWaalsContact CB-O 3.26Å; C492-I537 WeakPolarHBondContact CB-O 3.5Å; A493-I537 HydrophobicContact CB-CG2 4.38Å; G507-I537 WeakPolarHBondContact O-CB 3.49Å; G507-I537 PolarHBondContact O-N 3.13Å; V511-I537 HydrophobicContact CG2-CD1 3.5Å; V511-I537 HydrophobicContact CG2-CG2 4.28Å; C530-I537 HydrophobicContact CB-CD1 4.14Å; L531-I537 HydrophobicContact CD1-CG1 4.08Å; L531-I537 HydrophobicContact CG-CG1 4.48Å; I537-V551 HydrophobicContact CD1-CG1 3.83Å; I537-V551 HydrophobicContact CG1-CG1 4.14Å; I537-V551 HydrophobicContact CG2-CG1 3.62Å
538	R	97.4	Very high	91.6	Very high	86 Å²	86	53.6 Å²	53.6	33%	0.325	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-24.5	-172.3	-57.9	-63.7	-67.3	-90.1	-13.2	112.5	G552 E554 C581 Y582	R538-G552 PolarHBondContact N-O 3.04Å; R538-E554 WeakPolarHBondContact CD-OE1 3.27Å; R538-E554 HydrophobicContact CG-CG 4.09Å; R538-E554 IonicContact CZ-OE1 2.65Å; R538-E554 IonicContact NE-OE1 3.71Å; R538-E554 IonicContact NH1-OE1 3.12Å; R538-E554 PolarHBondContact NH1-OE1 3.21Å; R538-C581 WeakPolarHBondContact CB-O 3.16Å; R538-Y582 WeakPolarHBondContact CB-O 3.35Å; R538-Y582 HydrophobicContact CG-CD1 4.47Å
539	S	97.1	Very high	91.8	Very high	7 Å²	7	53.6 Å²	53.6	5%	0.049	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	144.3	173.8	-149.6	0	0	0	0	111.8	G552 L584	S539-G552 PolarHBondContact N-O 3.39Å; S539-G552 PolarHBondContact O-N 2.98Å; S539-G552 VanDerWaalsContact O-O 3.06Å; S539-L584 PolarHBondContact OG-N 2.82Å
540	C	96.3	Very high	92	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.007	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	140.5	165.8	58.5	0	0	0	0	109.5	L549 I550 V551	C540-L549 HydrophobicContact CB-CD1 4.27Å; C540-I550 VanDerWaalsContact CA-O 3.3Å; C540-I550 WeakPolarHBondContact CA-O 3.24Å; C540-V551 HydrophobicContact CB-CG2 4.4Å
541	R	96.1	Very high	92.6	Very high	69 Å²	69	50.1 Å²	50.1	26%	0.26	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	129.6	-176.5	-65.2	-65.3	177.9	-130.9	16	110	I550 L584 I586	R541-I550 PolarHBondContact N-O 2.95Å; R541-I550 PolarHBondContact O-N 3.38Å; R541-L584 HydrophobicContact CG-CB 3.76Å; R541-L584 WeakPolarHBondContact CG-O 3.27Å; R541-L584 PolarHBondContact NE-O 2.82Å; R541-I586 HydrophobicContact CB-CD1 4.2Å; R541-I586 HydrophobicContact CB-CG1 3.74Å; R541-I586 HydrophobicContact CG-CG1 4.41Å
542	L	95.1	Very high	93.2	Very high	25 Å²	25	49.2 Å²	49.2	13%	0.131	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	148.2	168.4	-69.3	165.9	0	0	0	109.8	T495 Y504 T548 L549 L563	T495-L542 HydrophobicContact CG2-CD1 4.39Å; T495-L542 HydrophobicContact CG2-CG 4.2Å; Y504-L542 HydrophobicContact CD2-CD1 4.05Å; Y504-L542 HydrophobicContact CE2-CD1 3.79Å; Y504-L542 HydrophobicContact CE2-CD2 4.19Å; Y504-L542 HydrophobicContact CE2-CG 4.45Å; L542-T548 WeakPolarHBondContact CA-O 3.44Å; L542-L549 HydrophobicContact CD2-CB 3.96Å; L542-L549 HydrophobicContact CD2-CD1 3.59Å; L542-L549 HydrophobicContact CD2-CG 4.39Å; L542-L549 HydrophobicContact CG-CD1 3.82Å; L542-L563 HydrophobicContact CD2-CD1 3.51Å
543	L	93.9	Very high	93.7	Very high	19 Å²	19	44.4 Å²	44.4	10%	0.099	21%	0.208	C	C	.	.			trans	-70.6	152.6	160.6	-91.1	63.9	0	0	0	109.6	D545 G546 T548 I550 I586 L607	L543-D545 WeakPolarHBondContact CB-OD1 3.5Å; L543-D545 PolarHBondContact O-N 2.88Å; L543-G546 PolarHBondContact O-N 3.36Å; L543-T548 HydrophobicContact CD1-CG2 4.11Å; L543-T548 HydrophobicContact CD2-CG2 4.4Å; L543-T548 PolarHBondContact N-O 2.81Å; L543-I550 HydrophobicContact CD1-CD1 3.54Å; L543-I550 HydrophobicContact CD1-CG1 4.21Å; L543-I586 HydrophobicContact CD1-CG2 4.22Å; L543-I586 HydrophobicContact CG-CG2 4.3Å; L543-L607 HydrophobicContact CD1-CD1 4.22Å
544	P	89.1	Confident	94.2	Very high	80 Å²	80	39.3 Å²	39.3	52%	0.519	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-18	173	-30.1	35.5	0	0	0	116	G546 S590	P544-G546 VanDerWaalsContact C-N 3.32Å; P544-S590 WeakPolarHBondContact CD-OG 3.43Å; P544-S590 WeakPolarHBondContact CG-OG 3.46Å
545	D	87.1	Confident	94.4	Very high	81 Å²	81	35.1 Å²	35.1	43%	0.433	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-12.1	175.3	76.2	-10.5	0	0	0	114.3	L543 R547 T548	L543-D545 WeakPolarHBondContact CB-OD1 3.5Å; L543-D545 PolarHBondContact O-N 2.88Å; D545-R547 PolarHBondContact O-N 3.27Å; D545-R547 PolarHBondContact OD1-N 3.44Å; D545-T548 PolarHBondContact OD1-N 3.1Å
546	G	87.4	Confident	94.4	Very high	23 Å²	23	35.4 Å²	35.4	24%	0.237	18%	0.177	C	C	.	.	S	Bend	trans	68.4	4.9	-175.9	0	0	0	0	0	115	L543 P544	L543-G546 PolarHBondContact O-N 3.36Å; P544-G546 VanDerWaalsContact C-N 3.32Å
547	R	89.8	Confident	94.3	Very high	155 Å²	155	34.1 Å²	34.1	59%	0.585	18%	0.176	S	C	*	.	S	Bend	trans	-106.1	-20.3	-173.9	-61.1	172.3	-176.1	-160.3	-0.6	113.6	D545 L563 A564	D545-R547 PolarHBondContact O-N 3.27Å; D545-R547 PolarHBondContact OD1-N 3.44Å; R547-L563 WeakPolarHBondContact O-CA 3.38Å; R547-L563 VanDerWaalsContact O-CB 3.29Å; R547-L563 WeakPolarHBondContact O-CB 3.29Å; R547-L563 PolarHBondContact O-N 3.09Å; R547-A564 HydrophobicContact CB-CB 4.3Å; R547-A564 HydrophobicContact CG-CB 4.37Å
548	T	93.5	Very high	94.2	Very high	10 Å²	10	34.3 Å²	34.3	6%	0.061	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.4	177.2	-50.8	0	0	0	0	110.3	L542 L543 D545 I560 W561	L542-T548 WeakPolarHBondContact CA-O 3.44Å; L543-T548 HydrophobicContact CD1-CG2 4.11Å; L543-T548 HydrophobicContact CD2-CG2 4.4Å; L543-T548 PolarHBondContact N-O 2.81Å; D545-T548 PolarHBondContact OD1-N 3.1Å; T548-I560 HydrophobicContact CG2-CG2 3.48Å; T548-I560 VanDerWaalsContact CG2-CG2 3.48Å; T548-W561 WeakPolarHBondContact CA-O 3.36Å
549	L	95.7	Very high	94.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129.7	171.7	-178.9	78.6	0	0	0	109.2	T495 Y504 V511 L528 C540 L542 V551 W561 L563	T495-L549 HydrophobicContact CG2-CD1 4.13Å; Y504-L549 HydrophobicContact CD1-CD1 4.31Å; Y504-L549 HydrophobicContact CD1-CD2 3.86Å; Y504-L549 HydrophobicContact CE1-CD2 4.33Å; Y504-L549 HydrophobicContact CG-CD1 4.45Å; V511-L549 HydrophobicContact CG1-CD2 4.43Å; L528-L549 HydrophobicContact CD1-CD2 3.79Å; C540-L549 HydrophobicContact CB-CD1 4.27Å; L542-L549 HydrophobicContact CD2-CB 3.96Å; L542-L549 HydrophobicContact CD2-CD1 3.59Å; L542-L549 HydrophobicContact CD2-CG 4.39Å; L542-L549 HydrophobicContact CG-CD1 3.82Å; L549-V551 HydrophobicContact CD2-CG2 3.79Å; L549-V551 HydrophobicContact CG-CG2 3.98Å; L549-W561 HydrophobicContact CB-CB 4.31Å; L549-W561 PolarHBondContact N-O 3.11Å; L549-W561 PolarHBondContact O-N 3.45Å; L549-L563 HydrophobicContact CB-CD1 3.94Å; L549-L563 HydrophobicContact CB-CG 4.32Å
550	I	96.9	Very high	94	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	134.3	172.7	-60.6	158.7	0	0	0	108.2	C540 R541 L543 I560 L584 I586 C593 L607	C540-I550 VanDerWaalsContact CA-O 3.3Å; C540-I550 WeakPolarHBondContact CA-O 3.24Å; R541-I550 PolarHBondContact N-O 2.95Å; R541-I550 PolarHBondContact O-N 3.38Å; L543-I550 HydrophobicContact CD1-CD1 3.54Å; L543-I550 HydrophobicContact CD1-CG1 4.21Å; I550-I560 HydrophobicContact CG1-CG1 4.32Å; I550-I560 HydrophobicContact CG1-CG2 4.3Å; I550-L584 HydrophobicContact CG2-CD1 3.98Å; I550-I586 HydrophobicContact CD1-CD1 3.5Å; I550-C593 HydrophobicContact CD1-CB 4.25Å; I550-L607 HydrophobicContact CD1-CD1 3.68Å; I550-L607 HydrophobicContact CD1-CD2 3.53Å; I550-L607 HydrophobicContact CD1-CG 4.26Å; I550-L607 HydrophobicContact CG1-CD2 4.43Å
551	V	97.2	Very high	94	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130.4	-173.4	-177	0	0	0	0	109.5	V511 C530 I537 C540 L549 L558 S559	V511-V551 HydrophobicContact CG2-CG1 3.97Å; V511-V551 HydrophobicContact CG2-CG2 4Å; C530-V551 HydrophobicContact CB-CG1 4.01Å; I537-V551 HydrophobicContact CD1-CG1 3.83Å; I537-V551 HydrophobicContact CG1-CG1 4.14Å; I537-V551 HydrophobicContact CG2-CG1 3.62Å; C540-V551 HydrophobicContact CB-CG2 4.4Å; L549-V551 HydrophobicContact CD2-CG2 3.79Å; L549-V551 HydrophobicContact CG-CG2 3.98Å; V551-L558 CarbonylContact O-C 3.54Å; V551-L558 VanDerWaalsContact O-CA 3.3Å; V551-L558 WeakPolarHBondContact O-CA 3.48Å; V551-S559 PolarHBondContact N-O 2.83Å; V551-S559 PolarHBondContact O-N 2.88Å
552	G	96.3	Very high	93.8	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	152.6	177.1	0	0	0	0	0	111.6	R538 S539	R538-G552 PolarHBondContact N-O 3.04Å; S539-G552 PolarHBondContact N-O 3.39Å; S539-G552 PolarHBondContact O-N 2.98Å; S539-G552 VanDerWaalsContact O-O 3.06Å
553	G	95.7	Very high	93.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.2	-151.2	-177.8	0	0	0	0	0	113.3	Y536 A555 A580 C581	Y536-G553 CarbonylContact O-C 3.59Å; Y536-G553 VanDerWaalsContact O-CA 3.3Å; Y536-G553 WeakPolarHBondContact O-CA 3.11Å; G553-A555 PolarHBondContact O-N 3.14Å; G553-A580 WeakPolarHBondContact O-CA 3.38Å; G553-C581 CarbonylContact C-O 3.59Å; G553-C581 WeakPolarHBondContact CA-O 3.41Å; G553-C581 PolarHBondContact O-N 2.92Å
554	E	95.6	Very high	93	Very high	61 Å²	61	32.3 Å²	32.3	29%	0.285	18%	0.184	S	C	.	.	S	Bend	trans	-75.9	51	-178.4	-70.8	158.3	-173.4	0	0	112.3	N535 Y536 R538	N535-E554 HydrophobicContact CB-CB 4.08Å; N535-E554 WeakPolarHBondContact CB-O 3.44Å; N535-E554 PolarHBondContact ND2-O 2.82Å; Y536-E554 WeakPolarHBondContact CB-OE2 3.33Å; Y536-E554 WeakPolarHBondContact CD2-OE2 3.44Å; Y536-E554 PolarHBondContact N-OE2 2.9Å; Y536-E554 PolarHBondContact O-N 3.12Å; R538-E554 WeakPolarHBondContact CD-OE1 3.27Å; R538-E554 HydrophobicContact CG-CG 4.09Å; R538-E554 IonicContact CZ-OE1 2.65Å; R538-E554 IonicContact NE-OE1 3.71Å; R538-E554 IonicContact NH1-OE1 3.12Å; R538-E554 PolarHBondContact NH1-OE1 3.21Å
555	A	94.8	Very high	92.4	Very high	18 Å²	18	31.1 Å²	31.1	15%	0.149	18%	0.175	C	C	.	.	S	Bend	trans	-148.7	160.3	174.3	0	0	0	0	0	109.9	L531 G553 T557 P579 A580	L531-A555 HydrophobicContact CD1-CB 4.12Å; L531-A555 HydrophobicContact CD2-CB 3.7Å; L531-A555 HydrophobicContact CG-CB 4.43Å; G553-A555 PolarHBondContact O-N 3.14Å; A555-T557 VanDerWaalsContact C-N 3.25Å; A555-T557 PolarHBondContact O-N 2.81Å; A555-P579 CarbonylContact C-O 3.56Å; A555-P579 VanDerWaalsContact CA-O 3.31Å; A555-P579 WeakPolarHBondContact CA-O 3.49Å; A555-P579 PolarHBondContact N-O 2.6Å; A555-A580 WeakPolarHBondContact O-CA 3.33Å
556	S	93.7	Very high	91.7	Very high	49 Å²	49	33.3 Å²	33.3	34%	0.343	19%	0.194	S	C	.	.	S	Bend	trans	-75.9	-9.6	174.9	53.5	0	0	0	0	114.1	S576 A578 P579	S556-S576 WeakPolarHBondContact O-CB 3.25Å; S556-S576 PolarHBondContact O-N 2.86Å; S556-A578 VanDerWaalsContact CA-O 3.24Å; S556-A578 WeakPolarHBondContact CA-O 3.4Å; S556-A578 WeakPolarHBondContact CB-O 3.46Å; S556-P579 PolarHBondContact N-O 2.94Å
557	T	93.8	Very high	91.3	Very high	33 Å²	33	36 Å²	36	20%	0.202	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.5	178.9	50.9	0	0	0	0	112.3	A555 L574 T575	A555-T557 VanDerWaalsContact C-N 3.25Å; A555-T557 PolarHBondContact O-N 2.81Å; T557-L574 WeakPolarHBondContact CA-O 3.32Å; T557-T575 HydrophobicContact CG2-CG2 4.28Å
558	L	96	Very high	91.1	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.016	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	121.9	166.1	-48.9	174.7	0	0	0	109	V551 E573 L574 C581 L584	V551-L558 CarbonylContact O-C 3.54Å; V551-L558 VanDerWaalsContact O-CA 3.3Å; V551-L558 WeakPolarHBondContact O-CA 3.48Å; L558-E573 WeakPolarHBondContact O-CA 3.18Å; L558-L574 HydrophobicContact CB-CB 4.15Å; L558-L574 HydrophobicContact CD1-CB 4.5Å; L558-L574 HydrophobicContact CD1-CD1 4.37Å; L558-L574 PolarHBondContact N-O 3.29Å; L558-L574 PolarHBondContact O-N 2.87Å; L558-C581 HydrophobicContact CD2-CB 3.63Å; L558-L584 HydrophobicContact CD1-CD2 4.18Å; L558-L584 HydrophobicContact CD2-CD2 4.34Å
559	S	95.3	Very high	90.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	124.7	178.7	-39.4	0	0	0	0	110.4	C530 V551	C530-S559 PolarHBondContact O-OG 2.94Å; V551-S559 PolarHBondContact N-O 2.83Å; V551-S559 PolarHBondContact O-N 2.88Å
560	I	95.5	Very high	90.8	Very high	5 Å²	5	41 Å²	41	3%	0.026	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	121.4	168.8	-50.2	-172	0	0	0	108.3	T548 I550 K571 A572 L574 L607	T548-I560 HydrophobicContact CG2-CG2 3.48Å; T548-I560 VanDerWaalsContact CG2-CG2 3.48Å; I550-I560 HydrophobicContact CG1-CG1 4.32Å; I550-I560 HydrophobicContact CG1-CG2 4.3Å; I560-K571 HydrophobicContact CG2-CB 4.43Å; I560-K571 HydrophobicContact CG2-CD 4.3Å; I560-K571 WeakPolarHBondContact O-CB 3.49Å; I560-K571 PolarHBondContact O-N 2.9Å; I560-A572 HydrophobicContact CB-CB 4.18Å; I560-A572 HydrophobicContact CD1-CB 4.12Å; I560-A572 HydrophobicContact CG1-CB 4.33Å; I560-A572 PolarHBondContact N-O 3.19Å; I560-A572 PolarHBondContact O-N 3.41Å; I560-L574 HydrophobicContact CD1-CD1 3.99Å; I560-L574 HydrophobicContact CD1-CD2 4.18Å; I560-L574 HydrophobicContact CD1-CG 4.01Å; I560-L574 HydrophobicContact CG1-CD1 4.41Å; I560-L574 HydrophobicContact CG1-CG 4.32Å; I560-L607 HydrophobicContact CD1-CD2 3.89Å
561	W	94.9	Very high	90.5	Very high	19 Å²	19	46.5 Å²	46.5	7%	0.072	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	134.5	-179.7	-70.9	81.6	0	0	0	111.8	L528 D529 C530 T548 L549 P568 R569 I570	L528-W561 HydrophobicContact CB-CD2 4.38Å; L528-W561 HydrophobicContact CB-CH2 4.14Å; L528-W561 HydrophobicContact CB-CZ2 3.99Å; L528-W561 HydrophobicContact CB-CZ3 4.4Å; L528-W561 HydrophobicContact CD2-CD2 3.64Å; L528-W561 HydrophobicContact CD2-CE3 3.3Å; L528-W561 HydrophobicContact CD2-CG 4.24Å; L528-W561 HydrophobicContact CD2-CH2 4.22Å; L528-W561 HydrophobicContact CD2-CZ2 4.49Å; L528-W561 HydrophobicContact CD2-CZ3 3.63Å; D529-W561 WeakPolarHBondContact O-CZ2 3.32Å; C530-W561 HydrophobicContact CB-CZ2 4.46Å; C530-W561 PolarHBondContact SG-NE1 2.75Å; T548-W561 WeakPolarHBondContact CA-O 3.36Å; L549-W561 HydrophobicContact CB-CB 4.31Å; L549-W561 PolarHBondContact N-O 3.11Å; L549-W561 PolarHBondContact O-N 3.45Å; W561-P568 HydrophobicContact CE3-CB 4.16Å; W561-R569 CarbonylContact C-O 3.22Å; W561-R569 WeakPolarHBondContact CA-O 2.98Å; W561-I570 HydrophobicContact CD2-CG1 3.96Å; W561-I570 HydrophobicContact CE3-CG1 4.11Å; W561-I570 HydrophobicContact CH2-CD1 4.17Å; W561-I570 HydrophobicContact CH2-CG1 3.63Å; W561-I570 HydrophobicContact CZ2-CD1 3.88Å; W561-I570 HydrophobicContact CZ2-CG1 3.44Å; W561-I570 VanDerWaalsContact CZ2-CG1 3.44Å; W561-I570 HydrophobicContact CZ3-CG1 3.95Å
562	D	92.5	Very high	90.3	Very high	49 Å²	49	47 Å²	47	26%	0.262	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	127.7	166.4	-173.5	5.8	0	0	0	110	A564 P568 R569 K571	D562-A564 WeakPolarHBondContact OD1-CB 3.17Å; D562-A564 PolarHBondContact OD1-N 3.43Å; D562-P568 WeakPolarHBondContact O-CA 3.39Å; D562-R569 PolarHBondContact N-O 3.07Å; D562-R569 PolarHBondContact O-N 2.9Å; D562-R569 VanDerWaalsContact O-N 3.1Å; D562-K571 HydrophobicContact CB-CB 4.25Å; D562-K571 HydrophobicContact CB-CD 4.49Å
563	L	89.8	Confident	90.2	Very high	31 Å²	31	51.8 Å²	51.8	16%	0.162	28%	0.283	C	S	.	.			trans	-111.2	-1.5	178.3	-52.4	174.5	0	0	0	112.2	Y504 L542 R547 L549 T565 P568	Y504-L563 HydrophobicContact CE1-CD1 3.96Å; Y504-L563 HydrophobicContact CE1-CD2 4.26Å; Y504-L563 WeakPolarHBondContact OH-CD1 3.24Å; L542-L563 HydrophobicContact CD2-CD1 3.51Å; R547-L563 WeakPolarHBondContact O-CA 3.38Å; R547-L563 VanDerWaalsContact O-CB 3.29Å; R547-L563 WeakPolarHBondContact O-CB 3.29Å; R547-L563 PolarHBondContact O-N 3.09Å; L549-L563 HydrophobicContact CB-CD1 3.94Å; L549-L563 HydrophobicContact CB-CG 4.32Å; L563-T565 PolarHBondContact O-N 2.89Å; L563-P568 HydrophobicContact CD2-CB 4.02Å; L563-P568 HydrophobicContact CD2-CG 4.07Å
564	A	82.9	Confident	90.1	Very high	61 Å²	61	51.9 Å²	51.9	50%	0.504	28%	0.283	S	S	.	.	S	Bend	trans	-69	-18.6	178	0	0	0	0	0	112.7	R547 D562	R547-A564 HydrophobicContact CB-CB 4.3Å; R547-A564 HydrophobicContact CG-CB 4.37Å; D562-A564 WeakPolarHBondContact OD1-CB 3.17Å; D562-A564 PolarHBondContact OD1-N 3.43Å
565	T	76.2	Confident	90	Very high	55 Å²	55	53.5 Å²	53.5	34%	0.337	30%	0.298	S	S	.	.	S	Bend	trans	-99.6	145	171.7	54.9	0	0	0	0	110.9	L563 T567	L563-T565 PolarHBondContact O-N 2.89Å; T565-T567 CarbonylContact O-C 3.52Å; T565-T567 PolarHBondContact O-N 3.32Å; T565-T567 VanDerWaalsContact O-N 3.14Å; T565-T567 PolarHBondContact OG1-O 3.43Å
566	P	72.5	Confident	89.9	Confident	127 Å²	127	53.5 Å²	53.5	83%	0.825	30%	0.296	S	S	*	.	S	Bend	trans	-67.5	-16.2	-173.8	27.6	-36.2	0	0	0	113.7
567	T	78	Confident	89.8	Confident	80 Å²	80	56.1 Å²	56.1	49%	0.491	32%	0.315	S	S	.	.	S	Bend	trans	-104.8	108.7	162	59.3	0	0	0	0	107.7	T565	T565-T567 CarbonylContact O-C 3.52Å; T565-T567 PolarHBondContact O-N 3.32Å; T565-T567 VanDerWaalsContact O-N 3.14Å; T565-T567 PolarHBondContact OG1-O 3.43Å
568	P	87.3	Confident	89.8	Confident	32 Å²	32	54.7 Å²	54.7	21%	0.208	31%	0.306	C	S	.	.			trans	-56.3	147.4	176.7	-29.4	37.5	0	0	0	113.2	L528 W561 D562 L563	L528-P568 HydrophobicContact CD2-CB 3.32Å; L528-P568 HydrophobicContact CD2-CG 3.99Å; W561-P568 HydrophobicContact CE3-CB 4.16Å; D562-P568 WeakPolarHBondContact O-CA 3.39Å; L563-P568 HydrophobicContact CD2-CB 4.02Å; L563-P568 HydrophobicContact CD2-CG 4.07Å
569	R	89.3	Confident	89.6	Confident	162 Å²	162	58.9 Å²	58.9	61%	0.611	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.1	148.4	-179.6	-62.2	-175.6	-177.3	-162.5	-1.5	112.2	W561 D562 K571	W561-R569 CarbonylContact C-O 3.22Å; W561-R569 WeakPolarHBondContact CA-O 2.98Å; D562-R569 PolarHBondContact N-O 3.07Å; D562-R569 PolarHBondContact O-N 2.9Å; D562-R569 VanDerWaalsContact O-N 3.1Å; R569-K571 PolarHBondContact O-N 3.33Å
570	I	92.2	Very high	89.7	Confident	76 Å²	76	59.4 Å²	59.4	39%	0.39	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	124.8	167.1	-58.7	175	0	0	0	107.8	W561 E573	W561-I570 HydrophobicContact CD2-CG1 3.96Å; W561-I570 HydrophobicContact CE3-CG1 4.11Å; W561-I570 HydrophobicContact CH2-CD1 4.17Å; W561-I570 HydrophobicContact CH2-CG1 3.63Å; W561-I570 HydrophobicContact CZ2-CD1 3.88Å; W561-I570 HydrophobicContact CZ2-CG1 3.44Å; W561-I570 VanDerWaalsContact CZ2-CG1 3.44Å; W561-I570 HydrophobicContact CZ3-CG1 3.95Å; I570-E573 HydrophobicContact CG2-CG 3.93Å
571	K	91.4	Very high	89.7	Confident	116 Å²	116	59.3 Å²	59.3	50%	0.504	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-36.6	178.5	179.4	-176.6	176	-174	0	111.2	I560 D562 R569	I560-K571 HydrophobicContact CG2-CB 4.43Å; I560-K571 HydrophobicContact CG2-CD 4.3Å; I560-K571 WeakPolarHBondContact O-CB 3.49Å; I560-K571 PolarHBondContact O-N 2.9Å; D562-K571 HydrophobicContact CB-CB 4.25Å; D562-K571 HydrophobicContact CB-CD 4.49Å; R569-K571 PolarHBondContact O-N 3.33Å
572	A	92.5	Very high	89.8	Confident	10 Å²	10	61.2 Å²	61.2	8%	0.083	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	162.5	-178.7	0	0	0	0	0	110.6	I560 Q610	I560-A572 HydrophobicContact CB-CB 4.18Å; I560-A572 HydrophobicContact CD1-CB 4.12Å; I560-A572 HydrophobicContact CG1-CB 4.33Å; I560-A572 PolarHBondContact N-O 3.19Å; I560-A572 PolarHBondContact O-N 3.41Å; A572-Q610 VanDerWaalsContact CB-CD 3.44Å; A572-Q610 HydrophobicContact CB-CG 3.98Å
573	E	94.2	Very high	90.1	Very high	101 Å²	101	59.4 Å²	59.4	47%	0.472	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	134.2	170.7	-62.8	-173.9	165.2	0	0	109.4	L558 I570	L558-E573 WeakPolarHBondContact O-CA 3.18Å; I570-E573 HydrophobicContact CG2-CG 3.93Å
574	L	94.3	Very high	90.4	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	108.5	179.4	-52.6	176.4	0	0	0	109.2	T557 L558 I560 W605 L607 Q610	T557-L574 WeakPolarHBondContact CA-O 3.32Å; L558-L574 HydrophobicContact CB-CB 4.15Å; L558-L574 HydrophobicContact CD1-CB 4.5Å; L558-L574 HydrophobicContact CD1-CD1 4.37Å; L558-L574 PolarHBondContact N-O 3.29Å; L558-L574 PolarHBondContact O-N 2.87Å; I560-L574 HydrophobicContact CD1-CD1 3.99Å; I560-L574 HydrophobicContact CD1-CD2 4.18Å; I560-L574 HydrophobicContact CD1-CG 4.01Å; I560-L574 HydrophobicContact CG1-CD1 4.41Å; I560-L574 HydrophobicContact CG1-CG 4.32Å; L574-W605 HydrophobicContact CB-CD2 4.02Å; L574-W605 HydrophobicContact CB-CE3 3.83Å; L574-W605 HydrophobicContact CB-CH2 4.08Å; L574-W605 HydrophobicContact CB-CZ2 4.24Å; L574-W605 HydrophobicContact CB-CZ3 3.87Å; L574-W605 HydrophobicContact CD1-CB 3.85Å; L574-W605 HydrophobicContact CD1-CD2 3.84Å; L574-W605 HydrophobicContact CD1-CE3 4Å; L574-W605 HydrophobicContact CD1-CG 3.78Å; L574-W605 HydrophobicContact CD2-CE3 3.93Å; L574-W605 HydrophobicContact CD2-CZ3 4.29Å; L574-W605 HydrophobicContact CG-CD2 4.38Å; L574-W605 HydrophobicContact CG-CE3 4.14Å; L574-L607 HydrophobicContact CD1-CD2 4.46Å; L574-Q610 HydrophobicContact CD2-CB 3.8Å; L574-Q610 HydrophobicContact CD2-CG 4.37Å
575	T	93.8	Very high	91.1	Very high	96 Å²	96	55.4 Å²	55.4	59%	0.589	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	106.1	-175.9	-52.5	0	0	0	0	111.4	T557 W605	T557-T575 HydrophobicContact CG2-CG2 4.28Å; T575-W605 WeakPolarHBondContact O-CH2 3.36Å
576	S	92.2	Very high	92	Very high	17 Å²	17	54 Å²	54	12%	0.119	30%	0.299	C	S	.	.			trans	-78.7	161.4	171.6	-167.9	0	0	0	0	112.1	S556 A578	S556-S576 WeakPolarHBondContact O-CB 3.25Å; S556-S576 PolarHBondContact O-N 2.86Å; S576-A578 PolarHBondContact OG-N 2.79Å
577	S	91.1	Very high	93	Very high	105 Å²	105	48.4 Å²	48.4	73%	0.734	26%	0.263	S	S	*	.	S	Bend	trans	-78.9	-22.4	166	55.1	0	0	0	0	113.1
578	A	93.3	Very high	93.6	Very high	2 Å²	2	49.1 Å²	49.1	2%	0.017	27%	0.269	C	S	.	.	S	Bend	trans	-77.5	145.4	179.7	0	0	0	0	0	111.4	S556 S576 A580 C597	S556-A578 VanDerWaalsContact CA-O 3.24Å; S556-A578 WeakPolarHBondContact CA-O 3.4Å; S556-A578 WeakPolarHBondContact CB-O 3.46Å; S576-A578 PolarHBondContact OG-N 2.79Å; A578-A580 VanDerWaalsContact C-N 3.34Å; A578-A580 PolarHBondContact O-N 3.09Å; A578-C597 HydrophobicContact CB-CB 3.51Å
579	P	93.4	Very high	93.8	Very high	92 Å²	92	51.5 Å²	51.5	60%	0.597	28%	0.279	S	S	*	.	S	Bend	trans	-76.7	-16.6	-173.9	30	-35	0	0	0	114.4	A555 S556 S598	A555-P579 CarbonylContact C-O 3.56Å; A555-P579 VanDerWaalsContact CA-O 3.31Å; A555-P579 WeakPolarHBondContact CA-O 3.49Å; A555-P579 PolarHBondContact N-O 2.6Å; S556-P579 PolarHBondContact N-O 2.94Å; P579-S598 WeakPolarHBondContact CD-OG 3.42Å; P579-S598 WeakPolarHBondContact CG-OG 3.32Å
580	A	95.6	Very high	94	Very high	11 Å²	11	45.4 Å²	45.4	9%	0.091	26%	0.262	C	S	.	.			trans	-150.1	155.8	176.4	0	0	0	0	0	112.8	G553 A555 A578 Y582 C597 S598	G553-A580 WeakPolarHBondContact O-CA 3.38Å; A555-A580 WeakPolarHBondContact O-CA 3.33Å; A578-A580 VanDerWaalsContact C-N 3.34Å; A578-A580 PolarHBondContact O-N 3.09Å; A580-Y582 HydrophobicContact CB-CE1 4.15Å; A580-C597 WeakPolarHBondContact O-CA 3.1Å; A580-S598 PolarHBondContact N-OG 2.88Å; A580-S598 PolarHBondContact O-N 2.86Å; A580-S598 PolarHBondContact O-OG 2.92Å
581	C	96.6	Very high	94	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.014	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.2	167.9	174.6	0	0	0	0	109	R538 G553 L558 S595 C596	R538-C581 WeakPolarHBondContact CB-O 3.16Å; G553-C581 CarbonylContact C-O 3.59Å; G553-C581 WeakPolarHBondContact CA-O 3.41Å; G553-C581 PolarHBondContact O-N 2.92Å; L558-C581 HydrophobicContact CD2-CB 3.63Å; C581-S595 PolarHBondContact SG-OG 3Å; C581-C596 CarbonylContact C-O 3.29Å; C581-C596 WeakPolarHBondContact CA-O 3.32Å
582	Y	97.4	Very high	94.1	Very high	59 Å²	59	43.8 Å²	43.8	23%	0.231	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-35.4	179	-63.6	-32.5	0	0	0	113.2	R538 A580 C596 A623 L640	R538-Y582 WeakPolarHBondContact CB-O 3.35Å; R538-Y582 HydrophobicContact CG-CD1 4.47Å; A580-Y582 HydrophobicContact CB-CE1 4.15Å; Y582-C596 PolarHBondContact N-O 2.85Å; Y582-A623 WeakPolarHBondContact CD2-O 3.45Å; Y582-L640 HydrophobicContact CE2-CD1 4.33Å
583	A	97.4	Very high	94.3	Very high	11 Å²	11	43.3 Å²	43.3	9%	0.091	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	149.8	-178.1	0	0	0	0	0	113.1	C596 S624 I626	A583-C596 HydrophobicContact CB-CB 4.2Å; A583-C596 PolarHBondContact O-N 2.75Å; A583-S624 WeakPolarHBondContact CB-O 3.5Å; A583-I626 HydrophobicContact CB-CG2 3.72Å
584	L	97.7	Very high	94.5	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	139	179.7	-66.3	170.8	0	0	0	111.6	S539 R541 I550 L558 F594	S539-L584 PolarHBondContact OG-N 2.82Å; R541-L584 HydrophobicContact CG-CB 3.76Å; R541-L584 WeakPolarHBondContact CG-O 3.27Å; R541-L584 PolarHBondContact NE-O 2.82Å; I550-L584 HydrophobicContact CG2-CD1 3.98Å; L558-L584 HydrophobicContact CD1-CD2 4.18Å; L558-L584 HydrophobicContact CD2-CD2 4.34Å; L584-F594 WeakPolarHBondContact CA-O 3.27Å
585	A	96.8	Very high	94.6	Very high	8 Å²	8	39 Å²	39	7%	0.066	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144.2	165.7	0	0	0	0	0	110.5	F594 I626 I628	A585-F594 HydrophobicContact CB-CB 4.48Å; A585-F594 PolarHBondContact N-O 2.85Å; A585-F594 PolarHBondContact O-N 3.39Å; A585-I626 HydrophobicContact CB-CD1 4.24Å; A585-I626 HydrophobicContact CB-CG1 3.9Å; A585-I626 HydrophobicContact CB-CG2 4Å; A585-I628 HydrophobicContact CB-CD1 4.28Å; A585-I628 HydrophobicContact CB-CG1 4.17Å
586	I	95.7	Very high	94.8	Very high	26 Å²	26	34.4 Å²	34.4	13%	0.133	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135.3	-178.8	-51.6	-55.5	0	0	0	108.8	R541 L543 I550 C593 L607 I628	R541-I586 HydrophobicContact CB-CD1 4.2Å; R541-I586 HydrophobicContact CB-CG1 3.74Å; R541-I586 HydrophobicContact CG-CG1 4.41Å; L543-I586 HydrophobicContact CD1-CG2 4.22Å; L543-I586 HydrophobicContact CG-CG2 4.3Å; I550-I586 HydrophobicContact CD1-CD1 3.5Å; I586-C593 HydrophobicContact CD1-CB 3.86Å; I586-L607 HydrophobicContact CG2-CD1 4.46Å; I586-I628 VanDerWaalsContact O-CD1 3.25Å; I586-I628 WeakPolarHBondContact O-CD1 3.34Å
587	S	93.6	Very high	95	Very high	10 Å²	10	33.6 Å²	33.6	7%	0.07	20%	0.197	C	C	.	.			trans	-60.5	146.3	178.4	63.2	0	0	0	0	111.7	D589 S590 K591 V592	S587-D589 WeakPolarHBondContact CB-OD1 3.47Å; S587-D589 PolarHBondContact O-N 3.42Å; S587-D589 VanDerWaalsContact O-N 3.09Å; S587-D589 PolarHBondContact OG-OD1 3.06Å; S587-S590 WeakPolarHBondContact O-CA 3.47Å; S587-S590 PolarHBondContact O-N 3.07Å; S587-K591 PolarHBondContact OG-N 2.88Å; S587-V592 PolarHBondContact N-O 2.85Å; S587-V592 PolarHBondContact OG-N 2.94Å; S587-V592 PolarHBondContact OG-O 3.39Å
588	P	90.5	Very high	95.2	Very high	95 Å²	95	29.7 Å²	29.7	62%	0.617	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-25.9	176.9	-27.7	36	0	0	0	114.2	S590	P588-S590 VanDerWaalsContact C-N 3.3Å
589	D	90.4	Very high	95.3	Very high	81 Å²	81	32.5 Å²	32.5	43%	0.433	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	3	176	83.2	-25.1	0	0	0	114.5	S587 K591	S587-D589 WeakPolarHBondContact CB-OD1 3.47Å; S587-D589 PolarHBondContact O-N 3.42Å; S587-D589 VanDerWaalsContact O-N 3.09Å; S587-D589 PolarHBondContact OG-OD1 3.06Å; D589-K591 PolarHBondContact O-N 3.42Å; D589-K591 PolarHBondContact OD1-N 3.22Å; D589-K591 VanDerWaalsContact OD1-N 3.16Å; D589-K591 WeakPolarHBondContact OD2-CG 3.43Å; D589-K591 IonicContact OD2-NZ 2.63Å; D589-K591 PolarHBondContact OD2-NZ 2.85Å
590	S	93.1	Very high	95.4	Very high	35 Å²	35	28.1 Å²	28.1	25%	0.245	16%	0.156	C	C	.	.	S	Bend	trans	62.7	11.1	178.8	-45.6	0	0	0	0	116.4	P544 S587 P588	P544-S590 WeakPolarHBondContact CD-OG 3.43Å; P544-S590 WeakPolarHBondContact CG-OG 3.46Å; S587-S590 WeakPolarHBondContact O-CA 3.47Å; S587-S590 PolarHBondContact O-N 3.07Å; P588-S590 VanDerWaalsContact C-N 3.3Å
591	K	92.8	Very high	95.4	Very high	124 Å²	124	28.9 Å²	28.9	54%	0.539	16%	0.159	S	C	.	.	S	Bend	trans	-93	-25.7	-178	-58	-164.2	-159.5	87	0	114.6	S587 D589 L607	S587-K591 PolarHBondContact OG-N 2.88Å; D589-K591 PolarHBondContact O-N 3.42Å; D589-K591 PolarHBondContact OD1-N 3.22Å; D589-K591 VanDerWaalsContact OD1-N 3.16Å; D589-K591 WeakPolarHBondContact OD2-CG 3.43Å; D589-K591 IonicContact OD2-NZ 2.63Å; D589-K591 PolarHBondContact OD2-NZ 2.85Å; K591-L607 WeakPolarHBondContact O-CB 2.73Å; K591-L607 PolarHBondContact O-N 2.95Å
592	V	94.9	Very high	95.4	Very high	34 Å²	34	28.8 Å²	28.8	21%	0.206	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137.3	-170.4	178.9	0	0	0	0	110.7	S587 F594 V604 W605	S587-V592 PolarHBondContact N-O 2.85Å; S587-V592 PolarHBondContact OG-N 2.94Å; S587-V592 PolarHBondContact OG-O 3.39Å; V592-F594 HydrophobicContact CB-CE2 4.49Å; V592-F594 HydrophobicContact CB-CZ 4.4Å; V592-F594 HydrophobicContact CG1-CD1 4.45Å; V592-F594 HydrophobicContact CG1-CD2 4.48Å; V592-F594 HydrophobicContact CG1-CE1 3.9Å; V592-F594 HydrophobicContact CG1-CE2 3.95Å; V592-F594 HydrophobicContact CG1-CZ 3.62Å; V592-V604 HydrophobicContact CG1-CG1 3.45Å; V592-V604 VanDerWaalsContact CG1-CG1 3.45Å; V592-W605 CarbonylContact C-O 3.59Å; V592-W605 VanDerWaalsContact CA-O 3.29Å; V592-W605 WeakPolarHBondContact CA-O 3.37Å
593	C	96.5	Very high	95.3	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.7	170.6	177	0	0	0	0	110	I550 I586 W605 L607	I550-C593 HydrophobicContact CD1-CB 4.25Å; I586-C593 HydrophobicContact CD1-CB 3.86Å; C593-W605 HydrophobicContact CB-CB 4.33Å; C593-W605 PolarHBondContact N-O 2.82Å; C593-W605 PolarHBondContact O-N 2.77Å; C593-L607 HydrophobicContact CB-CD1 4.07Å; C593-L607 HydrophobicContact CB-CD2 3.67Å; C593-L607 HydrophobicContact CB-CG 3.97Å
594	F	97.3	Very high	95.3	Very high	9 Å²	9	26 Å²	26	4%	0.039	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	126.3	173.9	-54.7	-83.5	0	0	0	109	L584 A585 V592 I602 A603 V604 F616 I626 I628 L635 L649	L584-F594 WeakPolarHBondContact CA-O 3.27Å; A585-F594 HydrophobicContact CB-CB 4.48Å; A585-F594 PolarHBondContact N-O 2.85Å; A585-F594 PolarHBondContact O-N 3.39Å; V592-F594 HydrophobicContact CB-CE2 4.49Å; V592-F594 HydrophobicContact CB-CZ 4.4Å; V592-F594 HydrophobicContact CG1-CD1 4.45Å; V592-F594 HydrophobicContact CG1-CD2 4.48Å; V592-F594 HydrophobicContact CG1-CE1 3.9Å; V592-F594 HydrophobicContact CG1-CE2 3.95Å; V592-F594 HydrophobicContact CG1-CZ 3.62Å; F594-I602 HydrophobicContact CB-CG2 4.44Å; F594-A603 WeakPolarHBondContact CA-O 3.44Å; F594-V604 HydrophobicContact CD1-CB 4.43Å; F594-V604 HydrophobicContact CD1-CG1 4.01Å; F594-V604 HydrophobicContact CD1-CG2 3.98Å; F594-V604 HydrophobicContact CE1-CB 4.49Å; F594-V604 HydrophobicContact CE1-CG1 3.68Å; F594-V604 HydrophobicContact CE1-CG2 4.14Å; F594-F616 HydrophobicContact CD1-CE2 4.35Å; F594-F616 HydrophobicContact CE1-CE2 4.25Å; F594-I626 HydrophobicContact CB-CD1 3.49Å; F594-I626 VanDerWaalsContact CB-CD1 3.49Å; F594-I626 HydrophobicContact CG-CD1 4.45Å; F594-I628 HydrophobicContact CD2-CD1 3.98Å; F594-I628 HydrophobicContact CE2-CD1 3.83Å; F594-L635 HydrophobicContact CB-CD1 4.46Å; F594-L635 HydrophobicContact CB-CD2 4.45Å; F594-L635 HydrophobicContact CD1-CD1 4.3Å; F594-L635 HydrophobicContact CD1-CD2 3.74Å; F594-L635 HydrophobicContact CD2-CD1 4.07Å; F594-L635 HydrophobicContact CE1-CD2 4.22Å; F594-L635 HydrophobicContact CE2-CD1 4.42Å; F594-L635 HydrophobicContact CG-CD1 4.01Å; F594-L635 HydrophobicContact CG-CD2 4.13Å; F594-L649 HydrophobicContact CD1-CD2 4.36Å; F594-L649 HydrophobicContact CE1-CD2 3.38Å; F594-L649 HydrophobicContact CE2-CD2 4.43Å; F594-L649 HydrophobicContact CZ-CD1 4.11Å; F594-L649 HydrophobicContact CZ-CD2 3.43Å; F594-L649 VanDerWaalsContact CZ-CD2 3.43Å; F594-L649 HydrophobicContact CZ-CG 4.4Å
595	S	97.2	Very high	95.3	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.007	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	116	-179.8	161.2	0	0	0	0	110.5	C581 C597 I602 A603	C581-S595 PolarHBondContact SG-OG 3Å; S595-C597 PolarHBondContact O-N 3.3Å; S595-I602 CarbonylContact O-C 3.56Å; S595-I602 WeakPolarHBondContact O-CA 3.39Å; S595-A603 PolarHBondContact N-O 2.97Å; S595-A603 PolarHBondContact O-N 3.36Å
596	C	97.3	Very high	95.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	113.8	168.4	-74.3	0	0	0	0	110.2	C581 Y582 A583 A623 I626	C581-C596 CarbonylContact C-O 3.29Å; C581-C596 WeakPolarHBondContact CA-O 3.32Å; Y582-C596 PolarHBondContact N-O 2.85Å; A583-C596 HydrophobicContact CB-CB 4.2Å; A583-C596 PolarHBondContact O-N 2.75Å; C596-A623 HydrophobicContact CB-CB 3.67Å; C596-A623 WeakPolarHBondContact CB-O 3.49Å; C596-I626 VanDerWaalsContact SG-CB 3.53Å
597	C	96.6	Very high	95.1	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	153.1	-179.3	-69.7	0	0	0	0	112	A578 A580 S595 D599 G600 N601 A623	A578-C597 HydrophobicContact CB-CB 3.51Å; A580-C597 WeakPolarHBondContact O-CA 3.1Å; S595-C597 PolarHBondContact O-N 3.3Å; C597-D599 WeakPolarHBondContact CB-OD1 3.33Å; C597-D599 PolarHBondContact O-N 2.94Å; C597-D599 VanDerWaalsContact O-N 3.14Å; C597-G600 PolarHBondContact O-N 3.43Å; C597-G600 VanDerWaalsContact O-N 3.14Å; C597-N601 VanDerWaalsContact CB-O 3.3Å; C597-N601 WeakPolarHBondContact CB-O 3.39Å; C597-N601 PolarHBondContact N-O 3.26Å; C597-A623 PolarHBondContact O-N 2.79Å; C597-A623 VanDerWaalsContact O-N 3.16Å
598	S	96.2	Very high	95	Very high	23 Å²	23	34.3 Å²	34.3	16%	0.161	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-4.3	-178.4	63.7	0	0	0	0	114.7	P579 A580	P579-S598 WeakPolarHBondContact CD-OG 3.42Å; P579-S598 WeakPolarHBondContact CG-OG 3.32Å; A580-S598 PolarHBondContact N-OG 2.88Å; A580-S598 PolarHBondContact O-N 2.86Å; A580-S598 PolarHBondContact O-OG 2.92Å
599	D	94.9	Very high	95.1	Very high	61 Å²	61	34.6 Å²	34.6	33%	0.326	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	6.9	174.4	65.2	-14.3	0	0	0	112.7	C597 N601	C597-D599 WeakPolarHBondContact CB-OD1 3.33Å; C597-D599 PolarHBondContact O-N 2.94Å; C597-D599 VanDerWaalsContact O-N 3.14Å; D599-N601 VanDerWaalsContact C-N 3.28Å; D599-N601 PolarHBondContact O-N 2.93Å; D599-N601 WeakPolarHBondContact OD1-CB 3.11Å; D599-N601 PolarHBondContact OD1-N 3.34Å; D599-N601 VanDerWaalsContact OD1-N 3.1Å; D599-N601 PolarHBondContact OD2-ND2 3.49Å
600	G	94.4	Very high	95.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	86.2	-10	-177.8	0	0	0	0	0	114.2	C597 H619 D621	C597-G600 PolarHBondContact O-N 3.43Å; C597-G600 VanDerWaalsContact O-N 3.14Å; G600-H619 WeakPolarHBondContact O-CB 3.45Å; G600-D621 WeakPolarHBondContact CA-O 3.43Å
601	N	95.9	Very high	95.4	Very high	27 Å²	27	36.6 Å²	36.6	14%	0.144	19%	0.186	C	C	.	.			trans	-81.5	149.8	-178.7	-65.9	-52	0	0	0	112	C597 D599 Q615 F616 Q617	C597-N601 VanDerWaalsContact CB-O 3.3Å; C597-N601 WeakPolarHBondContact CB-O 3.39Å; C597-N601 PolarHBondContact N-O 3.26Å; D599-N601 VanDerWaalsContact C-N 3.28Å; D599-N601 PolarHBondContact O-N 2.93Å; D599-N601 WeakPolarHBondContact OD1-CB 3.11Å; D599-N601 PolarHBondContact OD1-N 3.34Å; D599-N601 VanDerWaalsContact OD1-N 3.1Å; D599-N601 PolarHBondContact OD2-ND2 3.49Å; N601-Q615 HydrophobicContact CB-CG 3.83Å; N601-Q615 VanDerWaalsContact CB-NE2 3.32Å; N601-F616 WeakPolarHBondContact CA-O 3.16Å; N601-Q617 WeakPolarHBondContact OD1-CG 3.42Å
602	I	97	Very high	95.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	104.9	172.8	-36.8	-62.1	0	0	0	108.2	F594 S595 Q615 F616 A623 I626 L635 T637	F594-I602 HydrophobicContact CB-CG2 4.44Å; S595-I602 CarbonylContact O-C 3.56Å; S595-I602 WeakPolarHBondContact O-CA 3.39Å; I602-Q615 CarbonylContact O-C 3.54Å; I602-Q615 WeakPolarHBondContact O-CA 3.23Å; I602-F616 HydrophobicContact CB-CB 3.99Å; I602-F616 HydrophobicContact CB-CD2 4Å; I602-F616 HydrophobicContact CB-CG 4.48Å; I602-F616 HydrophobicContact CG1-CB 4.1Å; I602-F616 HydrophobicContact CG2-CD2 4.27Å; I602-F616 PolarHBondContact N-O 3.48Å; I602-F616 PolarHBondContact O-N 3.34Å; I602-A623 HydrophobicContact CD1-CB 3.44Å; I602-A623 VanDerWaalsContact CD1-CB 3.44Å; I602-I626 HydrophobicContact CG2-CD1 3.89Å; I602-L635 HydrophobicContact CG2-CD2 4.09Å; I602-T637 HydrophobicContact CD1-CG2 3.73Å; I602-T637 HydrophobicContact CG1-CG2 4.03Å
603	A	96.3	Very high	95.5	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	128	179.4	0	0	0	0	0	110.6	F594 S595 L612	F594-A603 WeakPolarHBondContact CA-O 3.44Å; S595-A603 PolarHBondContact N-O 2.97Å; S595-A603 PolarHBondContact O-N 3.36Å; A603-L612 HydrophobicContact CB-CD1 3.72Å
604	V	96.4	Very high	95.3	Very high	9 Å²	9	41.5 Å²	41.5	6%	0.055	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	112.9	-178.7	-169.6	0	0	0	0	109.3	V592 F594 V613 R614 F616	V592-V604 HydrophobicContact CG1-CG1 3.45Å; V592-V604 VanDerWaalsContact CG1-CG1 3.45Å; F594-V604 HydrophobicContact CD1-CB 4.43Å; F594-V604 HydrophobicContact CD1-CG1 4.01Å; F594-V604 HydrophobicContact CD1-CG2 3.98Å; F594-V604 HydrophobicContact CE1-CB 4.49Å; F594-V604 HydrophobicContact CE1-CG1 3.68Å; F594-V604 HydrophobicContact CE1-CG2 4.14Å; V604-V613 HydrophobicContact CB-CG2 4.3Å; V604-V613 HydrophobicContact CG1-CG2 3.94Å; V604-V613 VanDerWaalsContact O-CG2 3.31Å; V604-V613 WeakPolarHBondContact O-CG2 3.5Å; V604-V613 PolarHBondContact O-N 2.91Å; V604-R614 WeakPolarHBondContact CA-O 3.48Å; V604-R614 HydrophobicContact CB-CB 3.95Å; V604-R614 VanDerWaalsContact CB-O 3.27Å; V604-R614 WeakPolarHBondContact CB-O 3.24Å; V604-R614 HydrophobicContact CG2-CB 3.99Å; V604-R614 PolarHBondContact N-O 3.43Å; V604-R614 PolarHBondContact O-N 3.37Å; V604-F616 HydrophobicContact CG2-CD2 3.98Å; V604-F616 HydrophobicContact CG2-CE2 3.61Å; V604-F616 HydrophobicContact CG2-CZ 3.98Å
605	W	96.7	Very high	95.1	Very high	11 Å²	11	43.9 Å²	43.9	4%	0.042	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132.1	-172.4	-65	95	0	0	0	112.2	L574 T575 V592 C593 T611 L612	L574-W605 HydrophobicContact CB-CD2 4.02Å; L574-W605 HydrophobicContact CB-CE3 3.83Å; L574-W605 HydrophobicContact CB-CH2 4.08Å; L574-W605 HydrophobicContact CB-CZ2 4.24Å; L574-W605 HydrophobicContact CB-CZ3 3.87Å; L574-W605 HydrophobicContact CD1-CB 3.85Å; L574-W605 HydrophobicContact CD1-CD2 3.84Å; L574-W605 HydrophobicContact CD1-CE3 4Å; L574-W605 HydrophobicContact CD1-CG 3.78Å; L574-W605 HydrophobicContact CD2-CE3 3.93Å; L574-W605 HydrophobicContact CD2-CZ3 4.29Å; L574-W605 HydrophobicContact CG-CD2 4.38Å; L574-W605 HydrophobicContact CG-CE3 4.14Å; T575-W605 WeakPolarHBondContact O-CH2 3.36Å; V592-W605 CarbonylContact C-O 3.59Å; V592-W605 VanDerWaalsContact CA-O 3.29Å; V592-W605 WeakPolarHBondContact CA-O 3.37Å; C593-W605 HydrophobicContact CB-CB 4.33Å; C593-W605 PolarHBondContact N-O 2.82Å; C593-W605 PolarHBondContact O-N 2.77Å; W605-T611 WeakPolarHBondContact CA-O 3.34Å; W605-T611 VanDerWaalsContact CE3-C 3.5Å; W605-L612 HydrophobicContact CD2-CB 4.46Å; W605-L612 HydrophobicContact CD2-CD1 4.17Å; W605-L612 HydrophobicContact CE3-CB 4.04Å; W605-L612 HydrophobicContact CH2-CB 4Å; W605-L612 HydrophobicContact CH2-CD1 4.49Å; W605-L612 HydrophobicContact CZ2-CB 4.42Å; W605-L612 HydrophobicContact CZ2-CD1 4.07Å; W605-L612 HydrophobicContact CZ3-CB 3.8Å
606	D	95.4	Very high	95	Very high	34 Å²	34	44 Å²	44	18%	0.182	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	119.4	166.6	-178.4	-32.4	0	0	0	109.4	H608 N609 Q610 T611 V613	D606-H608 WeakPolarHBondContact OD1-CA 3.33Å; D606-H608 WeakPolarHBondContact OD1-CB 3.46Å; D606-H608 PolarHBondContact OD1-N 3.33Å; D606-N609 HydrophobicContact CB-CB 4.31Å; D606-N609 PolarHBondContact OD1-N 2.81Å; D606-N609 PolarHBondContact OD2-ND2 3.42Å; D606-Q610 WeakPolarHBondContact O-CA 3.39Å; D606-Q610 PolarHBondContact O-N 3.07Å; D606-T611 PolarHBondContact N-O 3.11Å; D606-T611 PolarHBondContact O-N 3.13Å; D606-V613 HydrophobicContact CB-CG1 3.74Å
607	L	93.5	Very high	94.8	Very high	22 Å²	22	50.3 Å²	50.3	12%	0.115	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-13.1	-177	-65.1	175.7	0	0	0	114.2	L543 I550 I560 L574 I586 K591 C593	L543-L607 HydrophobicContact CD1-CD1 4.22Å; I550-L607 HydrophobicContact CD1-CD1 3.68Å; I550-L607 HydrophobicContact CD1-CD2 3.53Å; I550-L607 HydrophobicContact CD1-CG 4.26Å; I550-L607 HydrophobicContact CG1-CD2 4.43Å; I560-L607 HydrophobicContact CD1-CD2 3.89Å; L574-L607 HydrophobicContact CD1-CD2 4.46Å; I586-L607 HydrophobicContact CG2-CD1 4.46Å; K591-L607 WeakPolarHBondContact O-CB 2.73Å; K591-L607 PolarHBondContact O-N 2.95Å; C593-L607 HydrophobicContact CB-CD1 4.07Å; C593-L607 HydrophobicContact CB-CD2 3.67Å; C593-L607 HydrophobicContact CB-CG 3.97Å
608	H	92	Very high	94.3	Very high	153 Å²	153	51.6 Å²	51.6	71%	0.708	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-51.9	172.9	-174.1	76.2	0	0	0	110.4	D606	D606-H608 WeakPolarHBondContact OD1-CA 3.33Å; D606-H608 WeakPolarHBondContact OD1-CB 3.46Å; D606-H608 PolarHBondContact OD1-N 3.33Å
609	N	93.1	Very high	94.3	Very high	100 Å²	100	50.9 Å²	50.9	54%	0.535	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-13.6	-176.9	-66.4	-58	0	0	0	113.9	D606 T611	D606-N609 HydrophobicContact CB-CB 4.31Å; D606-N609 PolarHBondContact OD1-N 2.81Å; D606-N609 PolarHBondContact OD2-ND2 3.42Å; N609-T611 VanDerWaalsContact C-N 3.26Å; N609-T611 HydrophobicContact CB-CG2 4.47Å; N609-T611 PolarHBondContact O-N 2.88Å
610	Q	94.5	Very high	94.3	Very high	90 Å²	90	54 Å²	54	42%	0.421	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	29.4	-179.6	-57.6	161.9	42.1	0	0	113.3	A572 L574 D606	A572-Q610 VanDerWaalsContact CB-CD 3.44Å; A572-Q610 HydrophobicContact CB-CG 3.98Å; L574-Q610 HydrophobicContact CD2-CB 3.8Å; L574-Q610 HydrophobicContact CD2-CG 4.37Å; D606-Q610 WeakPolarHBondContact O-CA 3.39Å; D606-Q610 PolarHBondContact O-N 3.07Å
611	T	93.9	Very high	94.4	Very high	68 Å²	68	57.5 Å²	57.5	42%	0.417	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	148.5	-175	49	0	0	0	0	112.5	W605 D606 N609 V613	W605-T611 WeakPolarHBondContact CA-O 3.34Å; W605-T611 VanDerWaalsContact CE3-C 3.5Å; D606-T611 PolarHBondContact N-O 3.11Å; D606-T611 PolarHBondContact O-N 3.13Å; N609-T611 VanDerWaalsContact C-N 3.26Å; N609-T611 HydrophobicContact CB-CG2 4.47Å; N609-T611 PolarHBondContact O-N 2.88Å; T611-V613 PolarHBondContact O-N 2.5Å
612	L	95.5	Very high	94.4	Very high	83 Å²	83	56.2 Å²	56.2	44%	0.435	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	111.6	167.1	-176.8	70.9	0	0	0	108.3	A603 W605	A603-L612 HydrophobicContact CB-CD1 3.72Å; W605-L612 HydrophobicContact CD2-CB 4.46Å; W605-L612 HydrophobicContact CD2-CD1 4.17Å; W605-L612 HydrophobicContact CE3-CB 4.04Å; W605-L612 HydrophobicContact CH2-CB 4Å; W605-L612 HydrophobicContact CH2-CD1 4.49Å; W605-L612 HydrophobicContact CZ2-CB 4.42Å; W605-L612 HydrophobicContact CZ2-CD1 4.07Å; W605-L612 HydrophobicContact CZ3-CB 3.8Å
613	V	94.3	Very high	94.4	Very high	80 Å²	80	56.2 Å²	56.2	49%	0.485	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-23.8	-175.4	-67	0	0	0	0	113.7	V604 D606 T611	V604-V613 HydrophobicContact CB-CG2 4.3Å; V604-V613 HydrophobicContact CG1-CG2 3.94Å; V604-V613 VanDerWaalsContact O-CG2 3.31Å; V604-V613 WeakPolarHBondContact O-CG2 3.5Å; V604-V613 PolarHBondContact O-N 2.91Å; D606-V613 HydrophobicContact CB-CG1 3.74Å; T611-V613 PolarHBondContact O-N 2.5Å
614	R	92.6	Very high	94.5	Very high	99 Å²	99	56.9 Å²	56.9	37%	0.374	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	159.6	176.8	-166.2	176.4	-76.8	173.2	-16.1	109.5	V604 F616 L649 R650 G652	V604-R614 WeakPolarHBondContact CA-O 3.48Å; V604-R614 HydrophobicContact CB-CB 3.95Å; V604-R614 VanDerWaalsContact CB-O 3.27Å; V604-R614 WeakPolarHBondContact CB-O 3.24Å; V604-R614 HydrophobicContact CG2-CB 3.99Å; V604-R614 PolarHBondContact N-O 3.43Å; V604-R614 PolarHBondContact O-N 3.37Å; R614-F616 HydrophobicContact CG-CD1 4.49Å; R614-F616 HydrophobicContact CG-CE1 4.11Å; R614-L649 PolarHBondContact NH1-O 3.41Å; R614-R650 PolarHBondContact NH1-O 2.8Å; R614-R650 PolarHBondContact NH2-O 3.02Å; R614-G652 VanDerWaalsContact NH1-CA 3.26Å
615	Q	93.7	Very high	94.5	Very high	59 Å²	59	57 Å²	57	28%	0.276	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	126.6	168.4	-169.7	-176.6	42.9	0	0	107.7	N601 I602 Q617	N601-Q615 HydrophobicContact CB-CG 3.83Å; N601-Q615 VanDerWaalsContact CB-NE2 3.32Å; I602-Q615 CarbonylContact O-C 3.54Å; I602-Q615 WeakPolarHBondContact O-CA 3.23Å; Q615-Q617 HydrophobicContact CG-CG 4.35Å
616	F	94.3	Very high	94.6	Very high	4 Å²	4	57 Å²	57	2%	0.018	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	126.9	168.5	-53.3	-52.8	0	0	0	108.6	F594 N601 I602 V604 R614 L635 W647 L649	F594-F616 HydrophobicContact CD1-CE2 4.35Å; F594-F616 HydrophobicContact CE1-CE2 4.25Å; N601-F616 WeakPolarHBondContact CA-O 3.16Å; I602-F616 HydrophobicContact CB-CB 3.99Å; I602-F616 HydrophobicContact CB-CD2 4Å; I602-F616 HydrophobicContact CB-CG 4.48Å; I602-F616 HydrophobicContact CG1-CB 4.1Å; I602-F616 HydrophobicContact CG2-CD2 4.27Å; I602-F616 PolarHBondContact N-O 3.48Å; I602-F616 PolarHBondContact O-N 3.34Å; V604-F616 HydrophobicContact CG2-CD2 3.98Å; V604-F616 HydrophobicContact CG2-CE2 3.61Å; V604-F616 HydrophobicContact CG2-CZ 3.98Å; R614-F616 HydrophobicContact CG-CD1 4.49Å; R614-F616 HydrophobicContact CG-CE1 4.11Å; F616-L635 HydrophobicContact CD2-CD2 3.88Å; F616-L635 HydrophobicContact CE2-CD2 3.72Å; F616-W647 HydrophobicContact CB-CD2 4.05Å; F616-W647 HydrophobicContact CB-CE3 3.78Å; F616-W647 HydrophobicContact CB-CH2 4.22Å; F616-W647 HydrophobicContact CB-CZ2 4.45Å; F616-W647 HydrophobicContact CB-CZ3 3.87Å; F616-W647 HydrophobicContact CD1-CE3 4.33Å; F616-W647 HydrophobicContact CD2-CG 4.48Å; F616-W647 HydrophobicContact CG-CD2 4.25Å; F616-W647 HydrophobicContact CG-CE3 4.1Å; F616-L649 HydrophobicContact CE2-CD2 4.09Å; F616-L649 HydrophobicContact CZ-CD2 4.15Å
617	Q	93.4	Very high	94.7	Very high	132 Å²	132	57.9 Å²	57.9	62%	0.617	31%	0.305	S	S	*	.			trans	-115.7	135.9	-179.3	-52.5	-171.1	-19.4	0	0	108.2	N601 Q615 W647	N601-Q617 WeakPolarHBondContact OD1-CG 3.42Å; Q615-Q617 HydrophobicContact CG-CG 4.35Å; Q617-W647 WeakPolarHBondContact O-CH2 3.48Å
618	G	87.2	Confident	94.8	Very high	27 Å²	27	57.7 Å²	57.7	28%	0.278	30%	0.304	S	S	.	.			trans	168.1	-39.9	173.8	0	0	0	0	0	115.4	T620 R645	G618-T620 PolarHBondContact O-N 2.86Å; G618-R645 PolarHBondContact O-NH1 3.43Å; G618-R645 PolarHBondContact O-NH2 3.36Å
619	H	95.6	Very high	94.9	Very high	8 Å²	8	50.5 Å²	50.5	4%	0.037	27%	0.271	C	S	.	.			trans	-62.3	134.1	172.3	-69.6	-80.1	0	0	0	109.4	G600 D621 T637 G639 D641 T643 R645	G600-H619 WeakPolarHBondContact O-CB 3.45Å; H619-D621 WeakPolarHBondContact CB-O 3.33Å; H619-T637 PolarHBondContact NE2-OG1 3Å; H619-G639 PolarHBondContact CE1-N 3.35Å; H619-D641 VanDerWaalsContact CA-OD2 3.23Å; H619-D641 WeakPolarHBondContact CA-OD2 3.33Å; H619-D641 IonicContact CE1-OD1 2.7Å; H619-D641 IonicContact CG-OD1 2.93Å; H619-D641 IonicContact CG-OD2 2.67Å; H619-D641 IonicContact ND1-OD1 3.85Å; H619-D641 PolarHBondContact ND1-OD1 2.77Å; H619-D641 IonicContact ND1-OD2 3.98Å; H619-D641 PolarHBondContact ND1-OD2 3.14Å; H619-T643 PolarHBondContact CE1-O 2.87Å; H619-T643 PolarHBondContact CE1-OG1 2.84Å; H619-T643 PolarHBondContact ND1-OG1 2.64Å; H619-R645 PolarHBondContact ND1-NE 3.41Å
620	T	95.4	Very high	94.8	Very high	126 Å²	126	50 Å²	50	77%	0.773	27%	0.268	S	S	*	.	S	Bend	trans	-91.5	-2.5	-175.5	59.2	0	0	0	0	113.8	G618 D641	G618-T620 PolarHBondContact O-N 2.86Å; T620-D641 PolarHBondContact N-OD2 2.68Å; T620-D641 WeakPolarHBondContact OG1-CB 3.32Å
621	D	96.2	Very high	94.5	Very high	74 Å²	74	50.1 Å²	50.1	40%	0.396	27%	0.272	S	S	.	.	S	Bend	trans	-145.7	169.8	173.2	-166.4	-0	0	0	0	107.5	G600 H619 A623 L640 D641	G600-D621 WeakPolarHBondContact CA-O 3.43Å; H619-D621 WeakPolarHBondContact CB-O 3.33Å; D621-A623 PolarHBondContact O-N 3.1Å; D621-L640 HydrophobicContact CB-CB 4.04Å; D621-L640 WeakPolarHBondContact OD2-CB 3.37Å; D621-D641 HydrophobicContact CB-CB 4.24Å
622	G	94.9	Very high	94.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.265	C	S	.	.			trans	-46.8	133	-170.5	0	0	0	0	0	114.6	S624 L640	G622-S624 PolarHBondContact O-N 3.22Å; G622-L640 WeakPolarHBondContact O-CG 3.3Å; G622-L640 PolarHBondContact O-N 3.49Å
623	A	97.7	Very high	94.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	119.6	173	0	0	0	0	0	108.6	Y582 C596 C597 I602 D621	Y582-A623 WeakPolarHBondContact CD2-O 3.45Å; C596-A623 HydrophobicContact CB-CB 3.67Å; C596-A623 WeakPolarHBondContact CB-O 3.49Å; C597-A623 PolarHBondContact O-N 2.79Å; C597-A623 VanDerWaalsContact O-N 3.16Å; I602-A623 HydrophobicContact CD1-CB 3.44Å; I602-A623 VanDerWaalsContact CD1-CB 3.44Å; D621-A623 PolarHBondContact O-N 3.1Å
624	S	97.3	Very high	94.1	Very high	16 Å²	16	44.2 Å²	44.2	11%	0.112	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-35.1	-169.9	61.8	0	0	0	0	113.3	A583 G622 G638 I664	A583-S624 WeakPolarHBondContact CB-O 3.5Å; G622-S624 PolarHBondContact O-N 3.22Å; S624-G638 PolarHBondContact N-O 2.86Å; S624-G638 PolarHBondContact OG-O 2.85Å; S624-G638 VanDerWaalsContact OG-O 3.09Å; S624-I664 VanDerWaalsContact CB-O 3.3Å; S624-I664 WeakPolarHBondContact CB-O 3.35Å; S624-I664 PolarHBondContact OG-O 3.03Å
625	C	97.3	Very high	94.4	Very high	10 Å²	10	39.5 Å²	39.5	7%	0.068	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	159.7	-169.9	56.2	0	0	0	0	112.3	T637 G638 S666 L667	C625-T637 WeakPolarHBondContact O-CA 3.46Å; C625-G638 PolarHBondContact N-O 2.68Å; C625-G638 PolarHBondContact O-N 2.97Å; C625-S666 VanDerWaalsContact SG-C 3.56Å; C625-L667 HydrophobicContact CB-CG 4.24Å
626	I	98	Very high	94.5	Very high	13 Å²	13	36.8 Å²	36.8	7%	0.067	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	141.5	-168.8	-174.7	163.6	0	0	0	112.2	A583 A585 F594 C596 I602 L635 W636 T637	A583-I626 HydrophobicContact CB-CG2 3.72Å; A585-I626 HydrophobicContact CB-CD1 4.24Å; A585-I626 HydrophobicContact CB-CG1 3.9Å; A585-I626 HydrophobicContact CB-CG2 4Å; F594-I626 HydrophobicContact CB-CD1 3.49Å; F594-I626 VanDerWaalsContact CB-CD1 3.49Å; F594-I626 HydrophobicContact CG-CD1 4.45Å; C596-I626 VanDerWaalsContact SG-CB 3.53Å; I602-I626 HydrophobicContact CG2-CD1 3.89Å; I626-L635 HydrophobicContact CD1-CD1 3.93Å; I626-L635 HydrophobicContact CD1-CD2 4.02Å; I626-L635 HydrophobicContact CD1-CG 4.13Å; I626-L635 HydrophobicContact CG1-CD1 3.88Å; I626-L635 HydrophobicContact CG1-CG 4.2Å; I626-W636 VanDerWaalsContact CA-O 3.29Å; I626-W636 WeakPolarHBondContact CA-O 3.34Å; I626-T637 HydrophobicContact CB-CG2 4.26Å; I626-T637 HydrophobicContact CD1-CG2 3.97Å; I626-T637 HydrophobicContact CG1-CG2 3.9Å
627	D	97.4	Very high	94.7	Very high	52 Å²	52	36.6 Å²	36.6	28%	0.278	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	165.8	170.4	-155.5	-2.1	0	0	0	111	W636 L667 G668 Y669	D627-W636 PolarHBondContact N-O 2.83Å; D627-W636 PolarHBondContact O-N 2.92Å; D627-L667 HydrophobicContact CB-CD1 3.58Å; D627-G668 WeakPolarHBondContact OD2-CA 3.37Å; D627-Y669 PolarHBondContact OD2-N 3.16Å
628	I	95.9	Very high	94.9	Very high	17 Å²	17	30.3 Å²	30.3	9%	0.087	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	142.9	-176.2	-53.4	178.3	0	0	0	109.2	A585 I586 F594 L635 L649	A585-I628 HydrophobicContact CB-CD1 4.28Å; A585-I628 HydrophobicContact CB-CG1 4.17Å; I586-I628 VanDerWaalsContact O-CD1 3.25Å; I586-I628 WeakPolarHBondContact O-CD1 3.34Å; F594-I628 HydrophobicContact CD2-CD1 3.98Å; F594-I628 HydrophobicContact CE2-CD1 3.83Å; I628-L635 HydrophobicContact CG1-CD1 3.75Å; I628-L649 HydrophobicContact CG2-CD1 4.25Å
629	S	94.3	Very high	95.3	Very high	3 Å²	3	29 Å²	29	2%	0.021	17%	0.166	C	C	.	.			trans	-64.5	152.6	173.1	57.5	0	0	0	0	112.3	D631 G632 K634	S629-D631 VanDerWaalsContact CB-OD1 3.31Å; S629-D631 WeakPolarHBondContact CB-OD1 3.25Å; S629-D631 PolarHBondContact O-N 3.29Å; S629-D631 VanDerWaalsContact O-N 3.15Å; S629-D631 PolarHBondContact OG-OD1 3.07Å; S629-G632 WeakPolarHBondContact O-CA 3.4Å; S629-G632 PolarHBondContact O-N 3.12Å; S629-K634 PolarHBondContact N-O 3.1Å; S629-K634 WeakPolarHBondContact OG-CA 3.49Å; S629-K634 WeakPolarHBondContact OG-CB 3.27Å; S629-K634 PolarHBondContact OG-N 2.96Å; S629-K634 PolarHBondContact OG-O 3.43Å
630	N	91.3	Very high	95.4	Very high	88 Å²	88	30.2 Å²	30.2	47%	0.471	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-21	-176.8	68.8	-25.2	0	0	0	114.8	Y669 P671 T672 G673	N630-Y669 HydrophobicContact CB-CD1 4.47Å; N630-Y669 HydrophobicContact CB-CE1 4.09Å; N630-P671 WeakPolarHBondContact CB-O 3.43Å; N630-P671 PolarHBondContact ND2-O 3.5Å; N630-T672 VanDerWaalsContact ND2-C 3.34Å; N630-G673 WeakPolarHBondContact ND2-CA 3.48Å; N630-G673 PolarHBondContact ND2-N 2.95Å
631	D	88.9	Confident	95.5	Very high	94 Å²	94	25.4 Å²	25.4	50%	0.503	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-6.1	172.2	73.9	-19.4	0	0	0	113.9	S629 T633	S629-D631 VanDerWaalsContact CB-OD1 3.31Å; S629-D631 WeakPolarHBondContact CB-OD1 3.25Å; S629-D631 PolarHBondContact O-N 3.29Å; S629-D631 VanDerWaalsContact O-N 3.15Å; S629-D631 PolarHBondContact OG-OD1 3.07Å; D631-T633 VanDerWaalsContact C-N 3.26Å; D631-T633 HydrophobicContact CB-CG2 4.4Å; D631-T633 PolarHBondContact O-N 3.48Å; D631-T633 PolarHBondContact OD1-N 3.35Å; D631-T633 PolarHBondContact OD1-OG1 3.27Å; D631-T633 WeakPolarHBondContact OD2-CB 3.23Å; D631-T633 VanDerWaalsContact OD2-CG2 3.22Å; D631-T633 WeakPolarHBondContact OD2-CG2 3.41Å; D631-T633 PolarHBondContact OD2-OG1 3.41Å
632	G	89.7	Confident	95.5	Very high	27 Å²	27	24.3 Å²	24.3	28%	0.278	14%	0.136	S	C	.	.	S	Bend	trans	67.8	14.8	-177.2	0	0	0	0	0	115.2	S629	S629-G632 WeakPolarHBondContact O-CA 3.4Å; S629-G632 PolarHBondContact O-N 3.12Å
633	T	91.4	Very high	95.7	Very high	26 Å²	26	24.7 Å²	24.7	16%	0.16	14%	0.139	C	C	.	.	S	Bend	trans	-97.4	-25.2	-178.1	73.9	0	0	0	0	114.2	D631 L649	D631-T633 VanDerWaalsContact C-N 3.26Å; D631-T633 HydrophobicContact CB-CG2 4.4Å; D631-T633 PolarHBondContact O-N 3.48Å; D631-T633 PolarHBondContact OD1-N 3.35Å; D631-T633 PolarHBondContact OD1-OG1 3.27Å; D631-T633 WeakPolarHBondContact OD2-CB 3.23Å; D631-T633 VanDerWaalsContact OD2-CG2 3.22Å; D631-T633 WeakPolarHBondContact OD2-CG2 3.41Å; D631-T633 PolarHBondContact OD2-OG1 3.41Å; T633-L649 WeakPolarHBondContact O-CB 3.49Å; T633-L649 PolarHBondContact O-N 3Å
634	K	94.5	Very high	95.7	Very high	53 Å²	53	24.8 Å²	24.8	23%	0.23	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	147.9	-176.9	-62.5	162.8	179	-71.5	0	111.7	S629 W647 L655	S629-K634 PolarHBondContact N-O 3.1Å; S629-K634 WeakPolarHBondContact OG-CA 3.49Å; S629-K634 WeakPolarHBondContact OG-CB 3.27Å; S629-K634 PolarHBondContact OG-N 2.96Å; S629-K634 PolarHBondContact OG-O 3.43Å; K634-W647 VanDerWaalsContact CA-O 3.24Å; K634-W647 WeakPolarHBondContact CA-O 3.46Å; K634-L655 HydrophobicContact CG-CD1 4.41Å
635	L	97	Very high	95.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	141.4	168.1	-163.1	65	0	0	0	108.9	F594 I602 F616 I626 I628 T637 S646 W647 L649	F594-L635 HydrophobicContact CB-CD1 4.46Å; F594-L635 HydrophobicContact CB-CD2 4.45Å; F594-L635 HydrophobicContact CD1-CD1 4.3Å; F594-L635 HydrophobicContact CD1-CD2 3.74Å; F594-L635 HydrophobicContact CD2-CD1 4.07Å; F594-L635 HydrophobicContact CE1-CD2 4.22Å; F594-L635 HydrophobicContact CE2-CD1 4.42Å; F594-L635 HydrophobicContact CG-CD1 4.01Å; F594-L635 HydrophobicContact CG-CD2 4.13Å; I602-L635 HydrophobicContact CG2-CD2 4.09Å; F616-L635 HydrophobicContact CD2-CD2 3.88Å; F616-L635 HydrophobicContact CE2-CD2 3.72Å; I626-L635 HydrophobicContact CD1-CD1 3.93Å; I626-L635 HydrophobicContact CD1-CD2 4.02Å; I626-L635 HydrophobicContact CD1-CG 4.13Å; I626-L635 HydrophobicContact CG1-CD1 3.88Å; I626-L635 HydrophobicContact CG1-CG 4.2Å; I628-L635 HydrophobicContact CG1-CD1 3.75Å; L635-T637 HydrophobicContact CD2-CG2 4.36Å; L635-T637 HydrophobicContact CG-CG2 4.3Å; L635-S646 CarbonylContact O-C 3.53Å; L635-S646 VanDerWaalsContact O-CA 3.26Å; L635-S646 WeakPolarHBondContact O-CA 3.34Å; L635-W647 HydrophobicContact CB-CB 4.17Å; L635-W647 PolarHBondContact N-O 2.95Å; L635-W647 PolarHBondContact O-N 3.18Å; L635-L649 HydrophobicContact CB-CD2 3.81Å; L635-L649 HydrophobicContact CB-CG 4.21Å; L635-L649 HydrophobicContact CD1-CD2 4.48Å; L635-L649 HydrophobicContact CD2-CD2 4.19Å; L635-L649 HydrophobicContact CG-CD2 4.42Å
636	W	97.6	Very high	95.6	Very high	3 Å²	3	24.4 Å²	24.4	1%	0.011	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.2	172.6	-69.5	88	0	0	0	109.4	I626 D627 V644 R645 L667 Y669 L676 V690	I626-W636 VanDerWaalsContact CA-O 3.29Å; I626-W636 WeakPolarHBondContact CA-O 3.34Å; D627-W636 PolarHBondContact N-O 2.83Å; D627-W636 PolarHBondContact O-N 2.92Å; W636-V644 HydrophobicContact CE3-CG1 3.98Å; W636-V644 HydrophobicContact CZ3-CG1 4.43Å; W636-R645 WeakPolarHBondContact CA-O 3.45Å; W636-L667 HydrophobicContact CB-CD1 4.33Å; W636-Y669 AromaticContact CD1-CD2 3.57Å; W636-Y669 HydrophobicContact CG-CD2 4.34Å; W636-Y669 AromaticContact NE1-CD2 3.51Å; W636-Y669 AromaticContact NE1-CE2 3.49Å; W636-L676 HydrophobicContact CB-CD1 4.01Å; W636-L676 HydrophobicContact CD2-CD1 4.04Å; W636-L676 HydrophobicContact CD2-CD2 4.11Å; W636-L676 HydrophobicContact CE3-CD1 4.3Å; W636-L676 HydrophobicContact CE3-CD2 3.53Å; W636-L676 HydrophobicContact CG-CD1 3.89Å; W636-L676 HydrophobicContact CZ3-CD2 3.89Å; W636-V690 HydrophobicContact CH2-CG1 4.39Å; W636-V690 HydrophobicContact CZ2-CG1 3.82Å; W636-V690 HydrophobicContact CZ2-CG2 4.32Å
637	T	97.9	Very high	95.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	141	180	59.1	0	0	0	0	111	I602 H619 C625 I626 L635 V644 R645 W647	I602-T637 HydrophobicContact CD1-CG2 3.73Å; I602-T637 HydrophobicContact CG1-CG2 4.03Å; H619-T637 PolarHBondContact NE2-OG1 3Å; C625-T637 WeakPolarHBondContact O-CA 3.46Å; I626-T637 HydrophobicContact CB-CG2 4.26Å; I626-T637 HydrophobicContact CD1-CG2 3.97Å; I626-T637 HydrophobicContact CG1-CG2 3.9Å; L635-T637 HydrophobicContact CD2-CG2 4.36Å; L635-T637 HydrophobicContact CG-CG2 4.3Å; T637-V644 CarbonylContact O-C 3.55Å; T637-V644 WeakPolarHBondContact O-CA 3.34Å; T637-R645 PolarHBondContact N-O 2.9Å; T637-R645 PolarHBondContact O-N 3.34Å; T637-W647 PolarHBondContact OG1-NE1 3.47Å
638	G	97.8	Very high	95.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	141.6	173.3	0	0	0	0	0	110.1	S624 C625 L667	S624-G638 PolarHBondContact N-O 2.86Å; S624-G638 PolarHBondContact OG-O 2.85Å; S624-G638 VanDerWaalsContact OG-O 3.09Å; C625-G638 PolarHBondContact N-O 2.68Å; C625-G638 PolarHBondContact O-N 2.97Å; G638-L667 VanDerWaalsContact N-CD2 3.32Å
639	G	96.1	Very high	95.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	160.9	-177.9	0	0	0	0	0	114.1	H619 D641 T643 I664	H619-G639 PolarHBondContact CE1-N 3.35Å; G639-D641 WeakPolarHBondContact CA-OD1 3.02Å; G639-D641 PolarHBondContact O-N 3.4Å; G639-T643 PolarHBondContact N-O 2.8Å; G639-I664 PolarHBondContact O-N 3.25Å
640	L	97.3	Very high	94.9	Very high	32 Å²	32	32.9 Å²	32.9	17%	0.168	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-8.4	162.8	-60.8	-178.9	0	0	0	112.1	Y582 D621 G622 N642 Q663 F665	Y582-L640 HydrophobicContact CE2-CD1 4.33Å; D621-L640 HydrophobicContact CB-CB 4.04Å; D621-L640 WeakPolarHBondContact OD2-CB 3.37Å; G622-L640 WeakPolarHBondContact O-CG 3.3Å; G622-L640 PolarHBondContact O-N 3.49Å; L640-N642 PolarHBondContact O-N 2.82Å; L640-Q663 HydrophobicContact CD2-CB 4.3Å; L640-Q663 PolarHBondContact O-NE2 3.44Å; L640-F665 HydrophobicContact CD2-CD1 3.88Å; L640-F665 HydrophobicContact CD2-CE1 3.64Å
641	D	96.7	Very high	94.8	Very high	25 Å²	25	34.3 Å²	34.3	13%	0.134	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	14.6	172.1	74.3	-19.4	0	0	0	114.3	H619 T620 D621 G639 T643 R645	H619-D641 VanDerWaalsContact CA-OD2 3.23Å; H619-D641 WeakPolarHBondContact CA-OD2 3.33Å; H619-D641 IonicContact CE1-OD1 2.7Å; H619-D641 IonicContact CG-OD1 2.93Å; H619-D641 IonicContact CG-OD2 2.67Å; H619-D641 IonicContact ND1-OD1 3.85Å; H619-D641 PolarHBondContact ND1-OD1 2.77Å; H619-D641 IonicContact ND1-OD2 3.98Å; H619-D641 PolarHBondContact ND1-OD2 3.14Å; T620-D641 PolarHBondContact N-OD2 2.68Å; T620-D641 WeakPolarHBondContact OG1-CB 3.32Å; D621-D641 HydrophobicContact CB-CB 4.24Å; G639-D641 WeakPolarHBondContact CA-OD1 3.02Å; G639-D641 PolarHBondContact O-N 3.4Å; D641-T643 PolarHBondContact O-N 3.46Å; D641-T643 WeakPolarHBondContact OD1-CB 3.48Å; D641-T643 PolarHBondContact OD1-N 3Å; D641-T643 VanDerWaalsContact OD1-N 3.1Å; D641-T643 PolarHBondContact OD1-OG1 3.23Å; D641-T643 PolarHBondContact OD2-OG1 2.94Å; D641-R645 IonicContact OD2-CZ 2.86Å; D641-R645 IonicContact OD2-NE 2.71Å; D641-R645 IonicContact OD2-NH2 3.13Å; D641-R645 PolarHBondContact OD2-NH2 3.49Å
642	N	97.4	Very high	94.8	Very high	52 Å²	52	30.9 Å²	30.9	28%	0.278	15%	0.154	S	C	.	.	S	Bend	trans	59.9	16.6	-174.2	-53.6	-15.9	0	0	0	115.1	L640 F660 S662 Q663	L640-N642 PolarHBondContact O-N 2.82Å; N642-F660 WeakPolarHBondContact CB-O 3.48Å; N642-F660 WeakPolarHBondContact O-CB 3.44Å; N642-F660 PolarHBondContact O-N 3.15Å; N642-S662 PolarHBondContact OD1-O 3.2Å; N642-Q663 VanDerWaalsContact OD1-CA 3.32Å; N642-Q663 WeakPolarHBondContact OD1-CA 3.45Å; N642-Q663 WeakPolarHBondContact OD1-CG 3.49Å; N642-Q663 PolarHBondContact OD1-N 3.23Å; N642-Q663 VanDerWaalsContact OD1-N 3.07Å
643	T	97.4	Very high	94.8	Very high	8 Å²	8	36.2 Å²	36.2	5%	0.049	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	148.4	178.7	74.2	0	0	0	0	113.1	H619 G639 D641 R645 Q657 H658 D659	H619-T643 PolarHBondContact CE1-O 2.87Å; H619-T643 PolarHBondContact CE1-OG1 2.84Å; H619-T643 PolarHBondContact ND1-OG1 2.64Å; G639-T643 PolarHBondContact N-O 2.8Å; D641-T643 PolarHBondContact O-N 3.46Å; D641-T643 WeakPolarHBondContact OD1-CB 3.48Å; D641-T643 PolarHBondContact OD1-N 3Å; D641-T643 VanDerWaalsContact OD1-N 3.1Å; D641-T643 PolarHBondContact OD1-OG1 3.23Å; D641-T643 PolarHBondContact OD2-OG1 2.94Å; T643-R645 PolarHBondContact OG1-NE 3.47Å; T643-Q657 HydrophobicContact CG2-CG 4.31Å; T643-H658 WeakPolarHBondContact CA-O 3.29Å; T643-D659 WeakPolarHBondContact CG2-OD1 3.45Å
644	V	97.9	Very high	94.9	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.2	158.3	177.7	0	0	0	0	108.5	W636 T637 Q657 H658 F660 I664 L667 L676 V678	W636-V644 HydrophobicContact CE3-CG1 3.98Å; W636-V644 HydrophobicContact CZ3-CG1 4.43Å; T637-V644 CarbonylContact O-C 3.55Å; T637-V644 WeakPolarHBondContact O-CA 3.34Å; V644-Q657 CarbonylContact O-C 3.58Å; V644-Q657 WeakPolarHBondContact O-CA 3.31Å; V644-H658 HydrophobicContact CB-CB 4.47Å; V644-H658 PolarHBondContact N-O 2.95Å; V644-H658 PolarHBondContact O-N 3.34Å; V644-F660 HydrophobicContact CB-CE2 3.83Å; V644-F660 HydrophobicContact CG2-CD2 4.2Å; V644-F660 HydrophobicContact CG2-CE2 3.49Å; V644-F660 VanDerWaalsContact CG2-CE2 3.49Å; V644-F660 HydrophobicContact CG2-CZ 4.1Å; V644-I664 HydrophobicContact CG2-CD1 4.22Å; V644-I664 HydrophobicContact CG2-CG1 3.79Å; V644-I664 HydrophobicContact CG2-CG2 4.5Å; V644-L667 HydrophobicContact CG1-CD2 4.32Å; V644-L676 HydrophobicContact CG1-CD2 3.83Å; V644-V678 HydrophobicContact CG2-CG1 3.95Å; V644-V678 HydrophobicContact CG2-CG2 4.11Å
645	R	97.2	Very high	94.9	Very high	18 Å²	18	37.9 Å²	37.9	7%	0.068	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	142.6	-175.7	-64	173.6	-169.3	-127.7	11	110.3	G618 H619 W636 T637 D641 T643 W647 Q654 Q656 Q657	G618-R645 PolarHBondContact O-NH1 3.43Å; G618-R645 PolarHBondContact O-NH2 3.36Å; H619-R645 PolarHBondContact ND1-NE 3.41Å; W636-R645 WeakPolarHBondContact CA-O 3.45Å; T637-R645 PolarHBondContact N-O 2.9Å; T637-R645 PolarHBondContact O-N 3.34Å; D641-R645 IonicContact OD2-CZ 2.86Å; D641-R645 IonicContact OD2-NE 2.71Å; D641-R645 IonicContact OD2-NH2 3.13Å; D641-R645 PolarHBondContact OD2-NH2 3.49Å; T643-R645 PolarHBondContact OG1-NE 3.47Å; R645-W647 HydrophobicContact CB-CZ2 3.94Å; R645-Q654 HydrophobicContact CB-CG 4.4Å; R645-Q656 WeakPolarHBondContact CA-O 3.36Å; R645-Q657 HydrophobicContact CG-CG 4.16Å
646	S	96.6	Very high	94.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	141.3	167.8	81.9	0	0	0	0	110.8	L635 Q654 L655 Q656	L635-S646 CarbonylContact O-C 3.53Å; L635-S646 VanDerWaalsContact O-CA 3.26Å; L635-S646 WeakPolarHBondContact O-CA 3.34Å; S646-Q654 CarbonylContact O-C 3.53Å; S646-Q654 WeakPolarHBondContact O-CA 3.27Å; S646-L655 PolarHBondContact O-N 2.95Å; S646-Q656 PolarHBondContact N-O 2.75Å; S646-Q656 WeakPolarHBondContact OG-CB 3.31Å; S646-Q656 PolarHBondContact OG-N 2.87Å; S646-Q656 PolarHBondContact OG-OE1 3.06Å
647	W	96.3	Very high	94.6	Very high	6 Å²	6	44.2 Å²	44.2	2%	0.023	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.3	-176.1	-44.9	82.9	0	0	0	110.3	F616 Q617 K634 L635 T637 R645 R653 Q654	F616-W647 HydrophobicContact CB-CD2 4.05Å; F616-W647 HydrophobicContact CB-CE3 3.78Å; F616-W647 HydrophobicContact CB-CH2 4.22Å; F616-W647 HydrophobicContact CB-CZ2 4.45Å; F616-W647 HydrophobicContact CB-CZ3 3.87Å; F616-W647 HydrophobicContact CD1-CE3 4.33Å; F616-W647 HydrophobicContact CD2-CG 4.48Å; F616-W647 HydrophobicContact CG-CD2 4.25Å; F616-W647 HydrophobicContact CG-CE3 4.1Å; Q617-W647 WeakPolarHBondContact O-CH2 3.48Å; K634-W647 VanDerWaalsContact CA-O 3.24Å; K634-W647 WeakPolarHBondContact CA-O 3.46Å; L635-W647 HydrophobicContact CB-CB 4.17Å; L635-W647 PolarHBondContact N-O 2.95Å; L635-W647 PolarHBondContact O-N 3.18Å; T637-W647 PolarHBondContact OG1-NE1 3.47Å; R645-W647 HydrophobicContact CB-CZ2 3.94Å; W647-R653 CarbonylContact C-O 3.6Å; W647-R653 WeakPolarHBondContact CA-O 3.28Å; W647-Q654 HydrophobicContact CE3-CB 3.83Å; W647-Q654 HydrophobicContact CE3-CG 4.29Å; W647-Q654 HydrophobicContact CH2-CB 4.42Å; W647-Q654 HydrophobicContact CH2-CG 4.43Å; W647-Q654 HydrophobicContact CZ3-CB 3.74Å; W647-Q654 HydrophobicContact CZ3-CG 4.2Å
648	D	94.3	Very high	94.4	Very high	26 Å²	26	46.8 Å²	46.8	14%	0.139	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	121.5	168.2	-163.9	-72.9	0	0	0	109.9	R650 E651 G652 R653 L655	D648-R650 VanDerWaalsContact C-N 3.31Å; D648-R650 PolarHBondContact O-N 3.46Å; D648-R650 WeakPolarHBondContact OD1-CA 3.36Å; D648-R650 WeakPolarHBondContact OD1-CB 3.35Å; D648-R650 PolarHBondContact OD1-N 2.91Å; D648-E651 HydrophobicContact CB-CB 4.06Å; D648-E651 PolarHBondContact OD1-N 3.03Å; D648-G652 WeakPolarHBondContact O-CA 3.34Å; D648-G652 PolarHBondContact O-N 2.87Å; D648-R653 PolarHBondContact N-O 2.97Å; D648-L655 HydrophobicContact CB-CD1 3.86Å; D648-L655 HydrophobicContact CB-CD2 4.14Å; D648-L655 HydrophobicContact CB-CG 3.99Å
649	L	91.4	Very high	94.3	Very high	36 Å²	36	52.4 Å²	52.4	19%	0.188	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-23.6	-179.4	-71.9	177.3	0	0	0	113.2	F594 R614 F616 I628 T633 L635	F594-L649 HydrophobicContact CD1-CD2 4.36Å; F594-L649 HydrophobicContact CE1-CD2 3.38Å; F594-L649 HydrophobicContact CE2-CD2 4.43Å; F594-L649 HydrophobicContact CZ-CD1 4.11Å; F594-L649 HydrophobicContact CZ-CD2 3.43Å; F594-L649 VanDerWaalsContact CZ-CD2 3.43Å; F594-L649 HydrophobicContact CZ-CG 4.4Å; R614-L649 PolarHBondContact NH1-O 3.41Å; F616-L649 HydrophobicContact CE2-CD2 4.09Å; F616-L649 HydrophobicContact CZ-CD2 4.15Å; I628-L649 HydrophobicContact CG2-CD1 4.25Å; T633-L649 WeakPolarHBondContact O-CB 3.49Å; T633-L649 PolarHBondContact O-N 3Å; L635-L649 HydrophobicContact CB-CD2 3.81Å; L635-L649 HydrophobicContact CB-CG 4.21Å; L635-L649 HydrophobicContact CD1-CD2 4.48Å; L635-L649 HydrophobicContact CD2-CD2 4.19Å; L635-L649 HydrophobicContact CG-CD2 4.42Å
650	R	89.1	Confident	94.3	Very high	196 Å²	196	53.8 Å²	53.8	74%	0.74	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-64.9	179.4	-57	177	178.8	179.2	1.3	109.8	R614 D648 G652	R614-R650 PolarHBondContact NH1-O 2.8Å; R614-R650 PolarHBondContact NH2-O 3.02Å; D648-R650 VanDerWaalsContact C-N 3.31Å; D648-R650 PolarHBondContact O-N 3.46Å; D648-R650 WeakPolarHBondContact OD1-CA 3.36Å; D648-R650 WeakPolarHBondContact OD1-CB 3.35Å; D648-R650 PolarHBondContact OD1-N 2.91Å; R650-G652 VanDerWaalsContact C-N 3.27Å; R650-G652 PolarHBondContact O-N 3.47Å
651	E	88.6	Confident	94.1	Very high	118 Å²	118	58 Å²	58	55%	0.551	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-32.5	-178.6	-60	-172.7	170	0	0	111.8	D648 R653	D648-E651 HydrophobicContact CB-CB 4.06Å; D648-E651 PolarHBondContact OD1-N 3.03Å; E651-R653 HydrophobicContact CB-CG 4.32Å; E651-R653 IonicContact OE1-NH2 3.91Å; E651-R653 IonicContact OE2-CZ 3.33Å; E651-R653 IonicContact OE2-NE 3.82Å; E651-R653 PolarHBondContact OE2-NE 2.82Å; E651-R653 IonicContact OE2-NH2 2.9Å; E651-R653 PolarHBondContact OE2-NH2 2.96Å
652	G	88.8	Confident	94.1	Very high	21 Å²	21	57.8 Å²	57.8	22%	0.216	28%	0.28	C	S	.	.			trans	85.1	24.7	171.8	0	0	0	0	0	115.6	R614 D648 R650	R614-G652 VanDerWaalsContact NH1-CA 3.26Å; D648-G652 WeakPolarHBondContact O-CA 3.34Å; D648-G652 PolarHBondContact O-N 2.87Å; R650-G652 VanDerWaalsContact C-N 3.27Å; R650-G652 PolarHBondContact O-N 3.47Å
653	R	89.1	Confident	94.1	Very high	139 Å²	139	57.6 Å²	57.6	53%	0.525	28%	0.277	S	S	.	.	S	Bend	trans	-124	161.4	-177	63.6	173.7	174.3	115.5	2	112.5	W647 D648 E651	W647-R653 CarbonylContact C-O 3.6Å; W647-R653 WeakPolarHBondContact CA-O 3.28Å; D648-R653 PolarHBondContact N-O 2.97Å; E651-R653 HydrophobicContact CB-CG 4.32Å; E651-R653 IonicContact OE1-NH2 3.91Å; E651-R653 IonicContact OE2-CZ 3.33Å; E651-R653 IonicContact OE2-NE 3.82Å; E651-R653 PolarHBondContact OE2-NE 2.82Å; E651-R653 IonicContact OE2-NH2 2.9Å; E651-R653 PolarHBondContact OE2-NH2 2.96Å
654	Q	94.6	Very high	94.1	Very high	58 Å²	58	57.2 Å²	57.2	27%	0.271	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	141.2	169.8	-159.8	177.4	-56.6	0	0	110.3	R645 S646 W647	R645-Q654 HydrophobicContact CB-CG 4.4Å; S646-Q654 CarbonylContact O-C 3.53Å; S646-Q654 WeakPolarHBondContact O-CA 3.27Å; W647-Q654 HydrophobicContact CE3-CB 3.83Å; W647-Q654 HydrophobicContact CE3-CG 4.29Å; W647-Q654 HydrophobicContact CH2-CB 4.42Å; W647-Q654 HydrophobicContact CH2-CG 4.43Å; W647-Q654 HydrophobicContact CZ3-CB 3.74Å; W647-Q654 HydrophobicContact CZ3-CG 4.2Å
655	L	93.4	Very high	94.1	Very high	56 Å²	56	59.7 Å²	59.7	29%	0.293	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	-45.1	179.9	-66.7	-177.3	0	0	0	112.6	K634 S646 D648	K634-L655 HydrophobicContact CG-CD1 4.41Å; S646-L655 PolarHBondContact O-N 2.95Å; D648-L655 HydrophobicContact CB-CD1 3.86Å; D648-L655 HydrophobicContact CB-CD2 4.14Å; D648-L655 HydrophobicContact CB-CG 3.99Å
656	Q	93.4	Very high	94.2	Very high	58 Å²	58	59.1 Å²	59.1	27%	0.271	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	155	178.6	-60.8	161.1	-87.5	0	0	109.9	R645 S646 V690	R645-Q656 WeakPolarHBondContact CA-O 3.36Å; S646-Q656 PolarHBondContact N-O 2.75Å; S646-Q656 WeakPolarHBondContact OG-CB 3.31Å; S646-Q656 PolarHBondContact OG-N 2.87Å; S646-Q656 PolarHBondContact OG-OE1 3.06Å; Q656-V690 PolarHBondContact NE2-O 2.91Å; Q656-V690 VanDerWaalsContact NE2-O 3.1Å
657	Q	95.1	Very high	94.2	Very high	79 Å²	79	59.6 Å²	59.6	37%	0.369	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	138.6	168.5	-168.7	168.4	-52.1	0	0	108.1	T643 V644 R645 D659	T643-Q657 HydrophobicContact CG2-CG 4.31Å; V644-Q657 CarbonylContact O-C 3.58Å; V644-Q657 WeakPolarHBondContact O-CA 3.31Å; R645-Q657 HydrophobicContact CG-CG 4.16Å; Q657-D659 WeakPolarHBondContact CG-OD1 3.4Å; Q657-D659 PolarHBondContact NE2-OD1 2.8Å
658	H	94.4	Very high	94.3	Very high	54 Å²	54	59.4 Å²	59.4	25%	0.25	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118.3	172.7	-61.6	-98.7	0	0	0	106.9	T643 V644 F660	T643-H658 WeakPolarHBondContact CA-O 3.29Å; V644-H658 HydrophobicContact CB-CB 4.47Å; V644-H658 PolarHBondContact N-O 2.95Å; V644-H658 PolarHBondContact O-N 3.34Å; H658-F660 HydrophobicContact CB-CE2 3.67Å; H658-F660 HydrophobicContact CB-CZ 4.13Å; H658-F660 VanDerWaalsContact O-CD2 3.29Å; H658-F660 WeakPolarHBondContact O-CD2 3.49Å; H658-F660 VanDerWaalsContact O-CE2 3.31Å; H658-F660 WeakPolarHBondContact O-CE2 3.36Å
659	D	95.1	Very high	94.4	Very high	117 Å²	117	59.1 Å²	59.1	63%	0.626	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	132.5	-178	-52.8	-50.9	0	0	0	109.8	T643 Q657	T643-D659 WeakPolarHBondContact CG2-OD1 3.45Å; Q657-D659 WeakPolarHBondContact CG-OD1 3.4Å; Q657-D659 PolarHBondContact NE2-OD1 2.8Å
660	F	95.8	Very high	94.7	Very high	29 Å²	29	57.4 Å²	57.4	13%	0.127	28%	0.275	C	S	.	.			trans	-117.6	169.4	-177.4	-63	-99.6	0	0	0	111.2	N642 V644 H658 S662 I664 V678 M680 E686 L688	N642-F660 WeakPolarHBondContact CB-O 3.48Å; N642-F660 WeakPolarHBondContact O-CB 3.44Å; N642-F660 PolarHBondContact O-N 3.15Å; V644-F660 HydrophobicContact CB-CE2 3.83Å; V644-F660 HydrophobicContact CG2-CD2 4.2Å; V644-F660 HydrophobicContact CG2-CE2 3.49Å; V644-F660 VanDerWaalsContact CG2-CE2 3.49Å; V644-F660 HydrophobicContact CG2-CZ 4.1Å; H658-F660 HydrophobicContact CB-CE2 3.67Å; H658-F660 HydrophobicContact CB-CZ 4.13Å; H658-F660 VanDerWaalsContact O-CD2 3.29Å; H658-F660 WeakPolarHBondContact O-CD2 3.49Å; H658-F660 VanDerWaalsContact O-CE2 3.31Å; H658-F660 WeakPolarHBondContact O-CE2 3.36Å; F660-S662 VanDerWaalsContact C-N 3.34Å; F660-I664 HydrophobicContact CB-CD1 4.34Å; F660-I664 HydrophobicContact CD2-CD1 3.96Å; F660-I664 HydrophobicContact CD2-CG1 4.48Å; F660-I664 HydrophobicContact CG-CD1 4.35Å; F660-V678 HydrophobicContact CZ-CG1 4.44Å; F660-M680 HydrophobicContact CB-SD 3.91Å; F660-M680 HydrophobicContact CD1-CE 4.2Å; F660-M680 HydrophobicContact CD1-SD 3.45Å; F660-M680 WeakPolarHBondContact CD1-SD 3.47Å; F660-M680 HydrophobicContact CE1-SD 4.26Å; F660-M680 HydrophobicContact CG-SD 3.94Å; F660-E686 HydrophobicContact CE1-CB 4.49Å; F660-E686 WeakPolarHBondContact CE1-OE2 3.48Å; F660-L688 HydrophobicContact CE1-CD1 4.35Å; F660-L688 HydrophobicContact CE1-CD2 4.42Å; F660-L688 HydrophobicContact CZ-CD1 4.04Å; F660-L688 HydrophobicContact CZ-CD2 3.93Å
661	T	93.9	Very high	94.9	Very high	120 Å²	120	50.5 Å²	50.5	74%	0.736	26%	0.256	S	S	*	.	S	Bend	trans	-84.4	-4.3	-179.4	57.1	0	0	0	0	114	N682	T661-N682 PolarHBondContact OG1-ND2 2.91Å
662	S	96.5	Very high	95.1	Very high	21 Å²	21	49.4 Å²	49.4	15%	0.147	26%	0.257	C	S	.	.	S	Bend	trans	-159.5	165.5	-169.2	-48.5	0	0	0	0	110.7	N642 F660 N682	N642-S662 PolarHBondContact OD1-O 3.2Å; F660-S662 VanDerWaalsContact C-N 3.34Å; S662-N682 WeakPolarHBondContact CB-ND2 3.47Å; S662-N682 WeakPolarHBondContact OG-CB 3.42Å; S662-N682 PolarHBondContact OG-ND2 2.92Å
663	Q	97.5	Very high	95.3	Very high	49 Å²	49	48.6 Å²	48.6	23%	0.229	25%	0.249	C	C	.	.			trans	-66.7	145.7	-174.4	-59.8	-165.7	-38.6	0	0	112	L640 N642 F665 M680 E681	L640-Q663 HydrophobicContact CD2-CB 4.3Å; L640-Q663 PolarHBondContact O-NE2 3.44Å; N642-Q663 VanDerWaalsContact OD1-CA 3.32Å; N642-Q663 WeakPolarHBondContact OD1-CA 3.45Å; N642-Q663 WeakPolarHBondContact OD1-CG 3.49Å; N642-Q663 PolarHBondContact OD1-N 3.23Å; N642-Q663 VanDerWaalsContact OD1-N 3.07Å; Q663-F665 HydrophobicContact CB-CE1 3.96Å; Q663-F665 HydrophobicContact CB-CZ 4.24Å; Q663-M680 CarbonylContact O-C 3.51Å; Q663-M680 WeakPolarHBondContact O-CA 3.4Å; Q663-E681 HydrophobicContact CB-CB 4.16Å; Q663-E681 PolarHBondContact N-OE2 2.96Å; Q663-E681 PolarHBondContact O-N 2.86Å
664	I	98.3	Very high	95.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	130.5	170.9	-61.6	81.1	0	0	0	107.6	S624 G639 V644 F660 S666 V678	S624-I664 VanDerWaalsContact CB-O 3.3Å; S624-I664 WeakPolarHBondContact CB-O 3.35Å; S624-I664 PolarHBondContact OG-O 3.03Å; G639-I664 PolarHBondContact O-N 3.25Å; V644-I664 HydrophobicContact CG2-CD1 4.22Å; V644-I664 HydrophobicContact CG2-CG1 3.79Å; V644-I664 HydrophobicContact CG2-CG2 4.5Å; F660-I664 HydrophobicContact CB-CD1 4.34Å; F660-I664 HydrophobicContact CD2-CD1 3.96Å; F660-I664 HydrophobicContact CD2-CG1 4.48Å; F660-I664 HydrophobicContact CG-CD1 4.35Å; I664-S666 WeakPolarHBondContact CG2-O 3.39Å; I664-V678 HydrophobicContact CB-CG1 4.39Å; I664-V678 HydrophobicContact CG1-CG1 3.75Å; I664-V678 HydrophobicContact CG2-CG1 3.69Å
665	F	97.8	Very high	95.4	Very high	53 Å²	53	46.1 Å²	46.1	23%	0.232	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	-25.3	173.7	-63	-38.6	0	0	0	113	L640 Q663 G679 E681 C704 L706	L640-F665 HydrophobicContact CD2-CD1 3.88Å; L640-F665 HydrophobicContact CD2-CE1 3.64Å; Q663-F665 HydrophobicContact CB-CE1 3.96Å; Q663-F665 HydrophobicContact CB-CZ 4.24Å; F665-G679 PolarHBondContact N-O 3.41Å; F665-G679 VanDerWaalsContact N-O 3.07Å; F665-E681 HydrophobicContact CD2-CB 4.26Å; F665-E681 HydrophobicContact CE2-CB 3.56Å; F665-E681 HydrophobicContact CE2-CG 3.81Å; F665-E681 HydrophobicContact CZ-CB 3.87Å; F665-E681 HydrophobicContact CZ-CG 3.97Å; F665-C704 HydrophobicContact CD2-CB 3.97Å; F665-C704 HydrophobicContact CE2-CB 3.79Å; F665-L706 HydrophobicContact CD2-CD2 4.14Å
666	S	97.7	Very high	95.6	Very high	6 Å²	6	43.6 Å²	43.6	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	151	178.8	54.6	0	0	0	0	112.1	C625 I664 G679 V705	C625-S666 VanDerWaalsContact SG-C 3.56Å; I664-S666 WeakPolarHBondContact CG2-O 3.39Å; S666-G679 PolarHBondContact N-O 3.49Å; S666-G679 PolarHBondContact O-N 2.9Å; S666-V705 PolarHBondContact OG-O 2.91Å; S666-V705 VanDerWaalsContact OG-O 3.06Å
667	L	97.8	Very high	95.9	Very high	10 Å²	10	40.9 Å²	40.9	5%	0.052	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	164.5	167.4	67.6	76.2	0	0	0	109.9	C625 D627 W636 G638 V644 L676 A677 V678	C625-L667 HydrophobicContact CB-CG 4.24Å; D627-L667 HydrophobicContact CB-CD1 3.58Å; W636-L667 HydrophobicContact CB-CD1 4.33Å; G638-L667 VanDerWaalsContact N-CD2 3.32Å; V644-L667 HydrophobicContact CG1-CD2 4.32Å; L667-L676 HydrophobicContact CD1-CD1 4.38Å; L667-A677 CarbonylContact C-O 3.58Å; L667-A677 WeakPolarHBondContact CA-O 3.32Å; L667-A677 WeakPolarHBondContact CB-O 3.49Å; L667-V678 HydrophobicContact CB-CG2 4.44Å
668	G	97.4	Very high	96	Very high	2 Å²	2	37.1 Å²	37.1	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	143.1	168.7	0	0	0	0	0	110.7	D627 L676 A677 F710	D627-G668 WeakPolarHBondContact OD2-CA 3.37Å; G668-L676 WeakPolarHBondContact O-CD1 3.33Å; G668-A677 PolarHBondContact N-O 3.24Å; G668-A677 PolarHBondContact O-N 2.92Å; G668-F710 VanDerWaalsContact O-CE2 3.27Å; G668-F710 WeakPolarHBondContact O-CE2 3.47Å
669	Y	97.4	Very high	96.2	Very high	20 Å²	20	34.5 Å²	34.5	8%	0.078	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	136.2	172.9	-166.7	-89.8	0	0	0	109.4	D627 N630 W636 P671 L676 V690	D627-Y669 PolarHBondContact OD2-N 3.16Å; N630-Y669 HydrophobicContact CB-CD1 4.47Å; N630-Y669 HydrophobicContact CB-CE1 4.09Å; W636-Y669 AromaticContact CD1-CD2 3.57Å; W636-Y669 HydrophobicContact CG-CD2 4.34Å; W636-Y669 AromaticContact NE1-CD2 3.51Å; W636-Y669 AromaticContact NE1-CE2 3.49Å; Y669-P671 WeakPolarHBondContact O-CD 3.4Å; Y669-L676 HydrophobicContact CD2-CD1 4.01Å; Y669-V690 HydrophobicContact CE2-CG2 3.66Å
670	C	96.8	Very high	96.3	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.			trans	-70.2	125.7	179.2	-173.1	0	0	0	0	110.5	T672 G673 W675 F710	C670-T672 PolarHBondContact O-N 3.05Å; C670-T672 VanDerWaalsContact O-N 3.14Å; C670-T672 PolarHBondContact SG-OG1 3.33Å; C670-G673 WeakPolarHBondContact CB-O 3.35Å; C670-G673 WeakPolarHBondContact O-CA 3.39Å; C670-G673 PolarHBondContact O-N 3.25Å; C670-W675 HydrophobicContact CB-CB 4.12Å; C670-W675 VanDerWaalsContact CB-O 3.23Å; C670-W675 WeakPolarHBondContact CB-O 3.22Å; C670-W675 PolarHBondContact N-O 3.33Å; C670-F710 HydrophobicContact CB-CD1 4.03Å; C670-F710 HydrophobicContact CB-CE1 3.72Å; C670-F710 HydrophobicContact CB-CZ 3.99Å
671	P	94.4	Very high	96.3	Very high	51 Å²	51	31.6 Å²	31.6	33%	0.331	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.4	-179	-30	38.1	0	0	0	114.8	N630 Y669 G673 F710	N630-P671 WeakPolarHBondContact CB-O 3.43Å; N630-P671 PolarHBondContact ND2-O 3.5Å; Y669-P671 WeakPolarHBondContact O-CD 3.4Å; P671-G673 VanDerWaalsContact C-N 3.26Å; P671-G673 PolarHBondContact O-N 3.29Å; P671-F710 HydrophobicContact CG-CB 4.21Å
672	T	93	Very high	96.3	Very high	94 Å²	94	28 Å²	28	58%	0.577	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-6.7	173.4	54.5	0	0	0	0	113.6	N630 C670	N630-T672 VanDerWaalsContact ND2-C 3.34Å; C670-T672 PolarHBondContact O-N 3.05Å; C670-T672 VanDerWaalsContact O-N 3.14Å; C670-T672 PolarHBondContact SG-OG1 3.33Å
673	G	91.5	Very high	96.3	Very high	4 Å²	4	28.2 Å²	28.2	4%	0.041	15%	0.147	C	C	.	.	S	Bend	trans	91.5	-164.9	-176.1	0	0	0	0	0	113.6	N630 C670 P671 W675	N630-G673 WeakPolarHBondContact ND2-CA 3.48Å; N630-G673 PolarHBondContact ND2-N 2.95Å; C670-G673 WeakPolarHBondContact CB-O 3.35Å; C670-G673 WeakPolarHBondContact O-CA 3.39Å; C670-G673 PolarHBondContact O-N 3.25Å; P671-G673 VanDerWaalsContact C-N 3.26Å; P671-G673 PolarHBondContact O-N 3.29Å; G673-W675 PolarHBondContact O-N 3.06Å
674	E	91.3	Very high	96.3	Very high	119 Å²	119	27 Å²	27	56%	0.556	14%	0.142	S	C	*	.	S	Bend	trans	63.9	-36	177.8	-57.5	-174.7	154.8	0	0	117.3	V690	E674-V690 WeakPolarHBondContact O-CB 3.48Å; E674-V690 WeakPolarHBondContact O-CG2 3.41Å; E674-V690 PolarHBondContact O-N 3.16Å
675	W	96	Very high	96.2	Very high	27 Å²	27	27 Å²	27	10%	0.102	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	143.1	-166.8	-56.6	92	0	0	0	113.3	C670 G673 V687 L688 H689 Y696 P732	C670-W675 HydrophobicContact CB-CB 4.12Å; C670-W675 VanDerWaalsContact CB-O 3.23Å; C670-W675 WeakPolarHBondContact CB-O 3.22Å; C670-W675 PolarHBondContact N-O 3.33Å; G673-W675 PolarHBondContact O-N 3.06Å; W675-V687 HydrophobicContact CB-CG1 4.24Å; W675-V687 HydrophobicContact CE3-CG1 4.06Å; W675-L688 WeakPolarHBondContact CA-O 3.35Å; W675-H689 AromaticContact CE2-CD2 3.86Å; W675-H689 HydrophobicContact CE3-CB 4.01Å; W675-H689 HydrophobicContact CH2-CB 4.11Å; W675-H689 AromaticContact CH2-CD2 3.62Å; W675-H689 AromaticContact CZ2-CD2 3.52Å; W675-H689 HydrophobicContact CZ3-CB 3.7Å; W675-Y696 HydrophobicContact CH2-CD2 4.37Å; W675-Y696 AromaticContact CH2-CE2 3.68Å; W675-Y696 HydrophobicContact CH2-CE2 3.68Å; W675-Y696 AromaticContact CZ3-CD2 3.97Å; W675-Y696 HydrophobicContact CZ3-CD2 3.97Å; W675-Y696 AromaticContact CZ3-CE2 3.75Å; W675-Y696 HydrophobicContact CZ3-CE2 3.75Å; W675-P732 HydrophobicContact CD2-CB 3.39Å; W675-P732 HydrophobicContact CD2-CG 4.17Å; W675-P732 VanDerWaalsContact CE2-CB 3.44Å; W675-P732 HydrophobicContact CE3-CB 3.68Å; W675-P732 HydrophobicContact CG-CB 3.86Å; W675-P732 HydrophobicContact CH2-CB 4Å; W675-P732 HydrophobicContact CH2-CG 4.02Å; W675-P732 HydrophobicContact CZ2-CB 3.75Å; W675-P732 HydrophobicContact CZ2-CG 3.59Å; W675-P732 HydrophobicContact CZ3-CB 3.97Å; W675-P732 HydrophobicContact CZ3-CG 4.48Å
676	L	97.4	Very high	96.2	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.016	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126.7	171.9	-176.8	83.6	0	0	0	108.2	W636 V644 L667 G668 Y669 V678 V687 L688 V690	W636-L676 HydrophobicContact CB-CD1 4.01Å; W636-L676 HydrophobicContact CD2-CD1 4.04Å; W636-L676 HydrophobicContact CD2-CD2 4.11Å; W636-L676 HydrophobicContact CE3-CD1 4.3Å; W636-L676 HydrophobicContact CE3-CD2 3.53Å; W636-L676 HydrophobicContact CG-CD1 3.89Å; W636-L676 HydrophobicContact CZ3-CD2 3.89Å; V644-L676 HydrophobicContact CG1-CD2 3.83Å; L667-L676 HydrophobicContact CD1-CD1 4.38Å; G668-L676 WeakPolarHBondContact O-CD1 3.33Å; Y669-L676 HydrophobicContact CD2-CD1 4.01Å; L676-V678 HydrophobicContact CD2-CG2 3.93Å; L676-V678 HydrophobicContact CG-CG2 4.22Å; L676-V687 CarbonylContact O-C 3.53Å; L676-V687 WeakPolarHBondContact O-CA 3.08Å; L676-L688 PolarHBondContact N-O 2.7Å; L676-L688 PolarHBondContact O-N 3.17Å; L676-V690 HydrophobicContact CB-CG2 4.46Å
677	A	98	Very high	96.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	139.9	172.3	0	0	0	0	0	110.7	L667 G668 E686 V687 L708 F710 F717	L667-A677 CarbonylContact C-O 3.58Å; L667-A677 WeakPolarHBondContact CA-O 3.32Å; L667-A677 WeakPolarHBondContact CB-O 3.49Å; G668-A677 PolarHBondContact N-O 3.24Å; G668-A677 PolarHBondContact O-N 2.92Å; A677-E686 CarbonylContact C-O 3.6Å; A677-E686 WeakPolarHBondContact CA-O 3.38Å; A677-V687 HydrophobicContact CB-CG1 4.49Å; A677-V687 HydrophobicContact CB-CG2 4.07Å; A677-L708 HydrophobicContact CB-CD1 3.68Å; A677-L708 HydrophobicContact CB-CD2 3.87Å; A677-L708 HydrophobicContact CB-CG 4.44Å; A677-F710 HydrophobicContact CB-CE2 3.63Å; A677-F710 HydrophobicContact CB-CZ 3.78Å; A677-F717 HydrophobicContact CB-CE2 4.27Å; A677-F717 HydrophobicContact CB-CZ 4.31Å
678	V	98.3	Very high	96.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	120.1	-171.3	-178.5	0	0	0	0	108.7	V644 F660 I664 L667 L676 M680 V685 E686 L688	V644-V678 HydrophobicContact CG2-CG1 3.95Å; V644-V678 HydrophobicContact CG2-CG2 4.11Å; F660-V678 HydrophobicContact CZ-CG1 4.44Å; I664-V678 HydrophobicContact CB-CG1 4.39Å; I664-V678 HydrophobicContact CG1-CG1 3.75Å; I664-V678 HydrophobicContact CG2-CG1 3.69Å; L667-V678 HydrophobicContact CB-CG2 4.44Å; L676-V678 HydrophobicContact CD2-CG2 3.93Å; L676-V678 HydrophobicContact CG-CG2 4.22Å; V678-M680 HydrophobicContact CG1-CG 4.26Å; V678-V685 WeakPolarHBondContact O-CA 3.36Å; V678-E686 PolarHBondContact N-O 2.93Å; V678-E686 PolarHBondContact O-N 3.35Å; V678-L688 HydrophobicContact CB-CD1 4.25Å; V678-L688 HydrophobicContact CG2-CD1 3.62Å
679	G	97.8	Very high	95.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	120.5	175.7	0	0	0	0	0	111.4	F665 S666	F665-G679 PolarHBondContact N-O 3.41Å; F665-G679 VanDerWaalsContact N-O 3.07Å; S666-G679 PolarHBondContact N-O 3.49Å; S666-G679 PolarHBondContact O-N 2.9Å
680	M	96.9	Very high	95.6	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	161.8	-173.5	-67.5	-170.9	-71.9	0	0	113.6	F660 Q663 V678 N682 S683 N684 E686 V705	F660-M680 HydrophobicContact CB-SD 3.91Å; F660-M680 HydrophobicContact CD1-CE 4.2Å; F660-M680 HydrophobicContact CD1-SD 3.45Å; F660-M680 WeakPolarHBondContact CD1-SD 3.47Å; F660-M680 HydrophobicContact CE1-SD 4.26Å; F660-M680 HydrophobicContact CG-SD 3.94Å; Q663-M680 CarbonylContact O-C 3.51Å; Q663-M680 WeakPolarHBondContact O-CA 3.4Å; V678-M680 HydrophobicContact CG1-CG 4.26Å; M680-N682 VanDerWaalsContact C-N 3.26Å; M680-N682 WeakPolarHBondContact CB-OD1 3.39Å; M680-N682 PolarHBondContact O-N 2.91Å; M680-S683 PolarHBondContact O-N 3.35Å; M680-N684 HydrophobicContact CE-CB 3.89Å; M680-N684 PolarHBondContact N-O 3.06Å; M680-N684 VanDerWaalsContact N-O 3.12Å; M680-E686 HydrophobicContact CE-CB 4.47Å; M680-E686 HydrophobicContact CE-CG 3.78Å; M680-V705 PolarHBondContact O-N 2.79Å
681	E	96.8	Very high	95.2	Very high	83 Å²	83	30.7 Å²	30.7	39%	0.388	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-38.6	171.2	179.4	-177.5	-154.7	0	0	112.5	Q663 F665 S683 C704	Q663-E681 HydrophobicContact CB-CB 4.16Å; Q663-E681 PolarHBondContact N-OE2 2.96Å; Q663-E681 PolarHBondContact O-N 2.86Å; F665-E681 HydrophobicContact CD2-CB 4.26Å; F665-E681 HydrophobicContact CE2-CB 3.56Å; F665-E681 HydrophobicContact CE2-CG 3.81Å; F665-E681 HydrophobicContact CZ-CB 3.87Å; F665-E681 HydrophobicContact CZ-CG 3.97Å; E681-S683 PolarHBondContact O-N 2.96Å; E681-C704 WeakPolarHBondContact O-CA 3.37Å; E681-C704 PolarHBondContact O-SG 3.4Å
682	N	94.4	Very high	95	Very high	44 Å²	44	33.4 Å²	33.4	24%	0.235	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	23.3	-176.7	65.5	24.6	0	0	0	114.7	T661 S662 M680 N684	T661-N682 PolarHBondContact OG1-ND2 2.91Å; S662-N682 WeakPolarHBondContact CB-ND2 3.47Å; S662-N682 WeakPolarHBondContact OG-CB 3.42Å; S662-N682 PolarHBondContact OG-ND2 2.92Å; M680-N682 VanDerWaalsContact C-N 3.26Å; M680-N682 WeakPolarHBondContact CB-OD1 3.39Å; M680-N682 PolarHBondContact O-N 2.91Å; N682-N684 VanDerWaalsContact CG-ND2 3.34Å; N682-N684 PolarHBondContact O-N 2.73Å; N682-N684 VanDerWaalsContact OD1-CB 3.32Å; N682-N684 WeakPolarHBondContact OD1-CB 3.44Å; N682-N684 PolarHBondContact OD1-N 3.08Å; N682-N684 PolarHBondContact OD1-ND2 2.87Å
683	S	96.2	Very high	94.7	Very high	26 Å²	26	33.2 Å²	33.2	18%	0.182	18%	0.176	C	C	.	.	S	Bend	trans	62.6	-5.4	-176.5	73.5	0	0	0	0	117.2	M680 E681 H701 S703	M680-S683 PolarHBondContact O-N 3.35Å; E681-S683 PolarHBondContact O-N 2.96Å; S683-H701 WeakPolarHBondContact CB-O 3.33Å; S683-H701 WeakPolarHBondContact O-CB 3.43Å; S683-H701 PolarHBondContact OG-O 3.23Å; S683-S703 WeakPolarHBondContact CA-O 3.39Å; S683-S703 WeakPolarHBondContact CB-O 3.29Å
684	N	96.2	Very high	94.6	Very high	24 Å²	24	35.3 Å²	35.3	13%	0.128	19%	0.186	C	C	.	.			trans	-78.8	146.8	177.4	-53.9	-47.1	0	0	0	111.2	M680 N682 Q697 H699	M680-N684 HydrophobicContact CE-CB 3.89Å; M680-N684 PolarHBondContact N-O 3.06Å; M680-N684 VanDerWaalsContact N-O 3.12Å; N682-N684 VanDerWaalsContact CG-ND2 3.34Å; N682-N684 PolarHBondContact O-N 2.73Å; N682-N684 VanDerWaalsContact OD1-CB 3.32Å; N682-N684 WeakPolarHBondContact OD1-CB 3.44Å; N682-N684 PolarHBondContact OD1-N 3.08Å; N682-N684 PolarHBondContact OD1-ND2 2.87Å; N684-Q697 HydrophobicContact CB-CG 4.36Å; N684-Q697 PolarHBondContact ND2-NE2 2.88Å; N684-H699 PolarHBondContact OD1-CD2 2.86Å; N684-H699 PolarHBondContact OD1-NE2 3.32Å
685	V	97.8	Very high	94.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.7	156.6	-177.6	0	0	0	0	107.9	V678 V687 L698 V705 L708 F717	V678-V685 WeakPolarHBondContact O-CA 3.36Å; V685-V687 HydrophobicContact CG1-CG2 4.47Å; V685-L698 HydrophobicContact CB-CB 4.21Å; V685-L698 HydrophobicContact CB-CD1 4.29Å; V685-L698 HydrophobicContact CG1-CD1 4.28Å; V685-L698 PolarHBondContact N-O 3.04Å; V685-L698 VanDerWaalsContact N-O 3.16Å; V685-L698 PolarHBondContact O-N 3.31Å; V685-V705 HydrophobicContact CG2-CG1 4.03Å; V685-V705 HydrophobicContact CG2-CG2 3.97Å; V685-L708 HydrophobicContact CG1-CD1 3.89Å; V685-F717 HydrophobicContact CG1-CE2 4.13Å; V685-F717 HydrophobicContact CG1-CZ 4.42Å
686	E	96.8	Very high	94.8	Very high	13 Å²	13	32.7 Å²	32.7	6%	0.061	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.4	169.1	-76.1	-166.6	-171.6	0	0	110.9	F660 A677 V678 M680 L688 K695 Y696 Q697	F660-E686 HydrophobicContact CE1-CB 4.49Å; F660-E686 WeakPolarHBondContact CE1-OE2 3.48Å; A677-E686 CarbonylContact C-O 3.6Å; A677-E686 WeakPolarHBondContact CA-O 3.38Å; V678-E686 PolarHBondContact N-O 2.93Å; V678-E686 PolarHBondContact O-N 3.35Å; M680-E686 HydrophobicContact CE-CB 4.47Å; M680-E686 HydrophobicContact CE-CG 3.78Å; E686-L688 HydrophobicContact CB-CD1 4.11Å; E686-K695 IonicContact OE1-NZ 2.7Å; E686-K695 PolarHBondContact OE1-NZ 3.02Å; E686-K695 WeakPolarHBondContact OE2-CD 3.5Å; E686-K695 WeakPolarHBondContact OE2-CE 3.41Å; E686-K695 IonicContact OE2-NZ 2.87Å; E686-K695 PolarHBondContact OE2-NZ 2.9Å; E686-Y696 CarbonylContact C-O 3.09Å; E686-Y696 VanDerWaalsContact CA-O 3.28Å; E686-Y696 WeakPolarHBondContact CA-O 3.45Å; E686-Q697 HydrophobicContact CG-CB 4.32Å; E686-Q697 HydrophobicContact CG-CG 3.97Å
687	V	97.3	Very high	94.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	103.1	176.1	-170	0	0	0	0	108.2	W675 L676 A677 V685 K695 Y696 L698 F717 P732	W675-V687 HydrophobicContact CB-CG1 4.24Å; W675-V687 HydrophobicContact CE3-CG1 4.06Å; L676-V687 CarbonylContact O-C 3.53Å; L676-V687 WeakPolarHBondContact O-CA 3.08Å; A677-V687 HydrophobicContact CB-CG1 4.49Å; A677-V687 HydrophobicContact CB-CG2 4.07Å; V685-V687 HydrophobicContact CG1-CG2 4.47Å; V687-K695 CarbonylContact O-C 3.59Å; V687-K695 VanDerWaalsContact O-CA 3.31Å; V687-K695 WeakPolarHBondContact O-CA 3.33Å; V687-Y696 PolarHBondContact N-O 3.02Å; V687-Y696 PolarHBondContact O-N 3.42Å; V687-L698 HydrophobicContact CG2-CD1 3.89Å; V687-F717 HydrophobicContact CG2-CE1 4.16Å; V687-F717 HydrophobicContact CG2-CZ 3.81Å; V687-P732 HydrophobicContact CG1-CB 4.34Å
688	L	95.8	Very high	94.6	Very high	16 Å²	16	33.9 Å²	33.9	8%	0.084	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	139.8	-174.5	-58.4	92.8	0	0	0	110.7	F660 W675 L676 V678 E686 K695	F660-L688 HydrophobicContact CE1-CD1 4.35Å; F660-L688 HydrophobicContact CE1-CD2 4.42Å; F660-L688 HydrophobicContact CZ-CD1 4.04Å; F660-L688 HydrophobicContact CZ-CD2 3.93Å; W675-L688 WeakPolarHBondContact CA-O 3.35Å; L676-L688 PolarHBondContact N-O 2.7Å; L676-L688 PolarHBondContact O-N 3.17Å; V678-L688 HydrophobicContact CB-CD1 4.25Å; V678-L688 HydrophobicContact CG2-CD1 3.62Å; E686-L688 HydrophobicContact CB-CD1 4.11Å; L688-K695 HydrophobicContact CG-CB 4.29Å
689	H	94.3	Very high	94.5	Very high	7 Å²	7	37 Å²	37	3%	0.032	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	126.6	167.3	-165.9	-71.9	0	0	0	110	W675 T691 K692 D694	W675-H689 AromaticContact CE2-CD2 3.86Å; W675-H689 HydrophobicContact CE3-CB 4.01Å; W675-H689 HydrophobicContact CH2-CB 4.11Å; W675-H689 AromaticContact CH2-CD2 3.62Å; W675-H689 AromaticContact CZ2-CD2 3.52Å; W675-H689 HydrophobicContact CZ3-CB 3.7Å; H689-T691 PolarHBondContact CE1-OG1 3.34Å; H689-T691 PolarHBondContact ND1-N 2.87Å; H689-T691 PolarHBondContact ND1-OG1 2.97Å; H689-T691 PolarHBondContact O-N 3.45Å; H689-T691 VanDerWaalsContact O-N 3.09Å; H689-K692 HydrophobicContact CB-CB 3.92Å; H689-K692 WeakPolarHBondContact ND1-CB 3.39Å; H689-K692 WeakPolarHBondContact ND1-CG 3.18Å; H689-K692 PolarHBondContact ND1-N 3.48Å; H689-K692 WeakPolarHBondContact NE2-CE 3.32Å; H689-K692 PolarHBondContact NE2-NZ 3.16Å; H689-K692 PolarHBondContact O-N 3.19Å; H689-K692 VanDerWaalsContact O-O 3.04Å; H689-D694 VanDerWaalsContact CB-O 3.32Å; H689-D694 WeakPolarHBondContact CB-O 3.32Å; H689-D694 PolarHBondContact N-O 3.48Å; H689-D694 VanDerWaalsContact N-O 3.11Å
690	V	91.4	Very high	94.3	Very high	15 Å²	15	39 Å²	39	9%	0.091	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-28.4	-170.7	169.1	0	0	0	0	113.7	W636 Q656 Y669 E674 L676	W636-V690 HydrophobicContact CH2-CG1 4.39Å; W636-V690 HydrophobicContact CZ2-CG1 3.82Å; W636-V690 HydrophobicContact CZ2-CG2 4.32Å; Q656-V690 PolarHBondContact NE2-O 2.91Å; Q656-V690 VanDerWaalsContact NE2-O 3.1Å; Y669-V690 HydrophobicContact CE2-CG2 3.66Å; E674-V690 WeakPolarHBondContact O-CB 3.48Å; E674-V690 WeakPolarHBondContact O-CG2 3.41Å; E674-V690 PolarHBondContact O-N 3.16Å; L676-V690 HydrophobicContact CB-CG2 4.46Å
691	T	88.1	Confident	94.3	Very high	117 Å²	117	39.5 Å²	39.5	72%	0.718	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.5	4.1	-176.3	59	0	0	0	0	115.5	H689	H689-T691 PolarHBondContact CE1-OG1 3.34Å; H689-T691 PolarHBondContact ND1-N 2.87Å; H689-T691 PolarHBondContact ND1-OG1 2.97Å; H689-T691 PolarHBondContact O-N 3.45Å; H689-T691 VanDerWaalsContact O-N 3.09Å
692	K	89.6	Confident	94.2	Very high	108 Å²	108	43.1 Å²	43.1	47%	0.47	22%	0.223	S	C	.	.	S	Bend	trans	-128.2	157.1	-178.9	-65.5	176.5	-164.2	143.3	0	109.6	H689 D694	H689-K692 HydrophobicContact CB-CB 3.92Å; H689-K692 WeakPolarHBondContact ND1-CB 3.39Å; H689-K692 WeakPolarHBondContact ND1-CG 3.18Å; H689-K692 PolarHBondContact ND1-N 3.48Å; H689-K692 WeakPolarHBondContact NE2-CE 3.32Å; H689-K692 PolarHBondContact NE2-NZ 3.16Å; H689-K692 PolarHBondContact O-N 3.19Å; H689-K692 VanDerWaalsContact O-O 3.04Å; K692-D694 HydrophobicContact CB-CB 4.48Å; K692-D694 VanDerWaalsContact CD-OD2 3.27Å; K692-D694 WeakPolarHBondContact CD-OD2 3.42Å; K692-D694 PolarHBondContact O-N 2.83Å
693	P	87.4	Confident	94.4	Very high	90 Å²	90	42.9 Å²	42.9	58%	0.584	22%	0.224	S	C	*	.	S	Bend	trans	-69.5	-15.6	173	30.3	-37.7	0	0	0	113.7	A456 K695	A456-P693 HydrophobicContact CB-CB 3.69Å; A456-P693 HydrophobicContact CB-CG 3.51Å; P693-K695 PolarHBondContact O-N 3.07Å
694	D	89.1	Confident	94.4	Very high	49 Å²	49	42.4 Å²	42.4	26%	0.262	22%	0.221	S	C	.	.			trans	-63.4	128.7	-177.3	-47.6	-43.1	0	0	0	111.5	H689 K692	H689-D694 VanDerWaalsContact CB-O 3.32Å; H689-D694 WeakPolarHBondContact CB-O 3.32Å; H689-D694 PolarHBondContact N-O 3.48Å; H689-D694 VanDerWaalsContact N-O 3.11Å; K692-D694 HydrophobicContact CB-CB 4.48Å; K692-D694 VanDerWaalsContact CD-OD2 3.27Å; K692-D694 WeakPolarHBondContact CD-OD2 3.42Å; K692-D694 PolarHBondContact O-N 2.83Å
695	K	94.6	Very high	94.5	Very high	56 Å²	56	41.3 Å²	41.3	24%	0.243	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	155.4	173.5	69.6	178.4	-166.2	166.2	0	112	V454 E686 V687 L688 P693	V454-K695 HydrophobicContact CB-CG 3.79Å; V454-K695 HydrophobicContact CG2-CG 4.15Å; V454-K695 PolarHBondContact N-O 3.27Å; V454-K695 PolarHBondContact O-N 3.07Å; E686-K695 IonicContact OE1-NZ 2.7Å; E686-K695 PolarHBondContact OE1-NZ 3.02Å; E686-K695 WeakPolarHBondContact OE2-CD 3.5Å; E686-K695 WeakPolarHBondContact OE2-CE 3.41Å; E686-K695 IonicContact OE2-NZ 2.87Å; E686-K695 PolarHBondContact OE2-NZ 2.9Å; V687-K695 CarbonylContact O-C 3.59Å; V687-K695 VanDerWaalsContact O-CA 3.31Å; V687-K695 WeakPolarHBondContact O-CA 3.33Å; L688-K695 HydrophobicContact CG-CB 4.29Å; P693-K695 PolarHBondContact O-N 3.07Å
696	Y	96.2	Very high	94.5	Very high	34 Å²	34	43.2 Å²	43.2	13%	0.133	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	144.3	169.7	-61.1	-82.2	0	0	0	110.6	F452 H453 V463 W675 E686 V687 P732	F452-Y696 CarbonylContact O-C 3.6Å; F452-Y696 VanDerWaalsContact O-CA 3.27Å; F452-Y696 WeakPolarHBondContact O-CA 3.45Å; H453-Y696 HydrophobicContact CB-CD1 4.1Å; H453-Y696 HydrophobicContact CB-CE1 3.92Å; H453-Y696 AromaticContact CD2-CE1 3.57Å; H453-Y696 AromaticContact CD2-CZ 3.82Å; V463-Y696 HydrophobicContact CG1-CE1 4.31Å; V463-Y696 HydrophobicContact CG2-CD1 3.66Å; V463-Y696 HydrophobicContact CG2-CE1 3.73Å; W675-Y696 HydrophobicContact CH2-CD2 4.37Å; W675-Y696 AromaticContact CH2-CE2 3.68Å; W675-Y696 HydrophobicContact CH2-CE2 3.68Å; W675-Y696 AromaticContact CZ3-CD2 3.97Å; W675-Y696 HydrophobicContact CZ3-CD2 3.97Å; W675-Y696 AromaticContact CZ3-CE2 3.75Å; W675-Y696 HydrophobicContact CZ3-CE2 3.75Å; E686-Y696 CarbonylContact C-O 3.09Å; E686-Y696 VanDerWaalsContact CA-O 3.28Å; E686-Y696 WeakPolarHBondContact CA-O 3.45Å; V687-Y696 PolarHBondContact N-O 3.02Å; V687-Y696 PolarHBondContact O-N 3.42Å; Y696-P732 HydrophobicContact CD2-CB 4.23Å; Y696-P732 HydrophobicContact CE2-CB 3.98Å; Y696-P732 HydrophobicContact CE2-CG 3.87Å
697	Q	95.7	Very high	94.6	Very high	27 Å²	27	43.6 Å²	43.6	13%	0.126	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.2	173.5	-165.8	-175.5	-0.6	0	0	109.5	F452 V454 N684 E686 H699	F452-Q697 PolarHBondContact N-O 3.45Å; F452-Q697 PolarHBondContact O-N 3.48Å; V454-Q697 HydrophobicContact CG2-CB 4.16Å; N684-Q697 HydrophobicContact CB-CG 4.36Å; N684-Q697 PolarHBondContact ND2-NE2 2.88Å; E686-Q697 HydrophobicContact CG-CB 4.32Å; E686-Q697 HydrophobicContact CG-CG 3.97Å; Q697-H699 WeakPolarHBondContact CG-NE2 3.38Å; Q697-H699 PolarHBondContact NE2-NE2 2.67Å
698	L	96.6	Very high	94.6	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.7	-167.8	-47.5	176.2	0	0	0	111.2	Y450 S451 V685 V687 F717 W729	Y450-L698 CarbonylContact O-C 3.44Å; Y450-L698 WeakPolarHBondContact O-CA 3.4Å; S451-L698 WeakPolarHBondContact OG-CD2 3.24Å; V685-L698 HydrophobicContact CB-CB 4.21Å; V685-L698 HydrophobicContact CB-CD1 4.29Å; V685-L698 HydrophobicContact CG1-CD1 4.28Å; V685-L698 PolarHBondContact N-O 3.04Å; V685-L698 VanDerWaalsContact N-O 3.16Å; V685-L698 PolarHBondContact O-N 3.31Å; V687-L698 HydrophobicContact CG2-CD1 3.89Å; L698-F717 HydrophobicContact CD1-CZ 3.95Å; L698-W729 HydrophobicContact CB-CE3 4.48Å; L698-W729 HydrophobicContact CB-CH2 3.68Å; L698-W729 HydrophobicContact CB-CZ2 4.34Å; L698-W729 HydrophobicContact CB-CZ3 3.79Å; L698-W729 HydrophobicContact CD1-CD2 4.1Å; L698-W729 HydrophobicContact CD1-CE3 3.87Å; L698-W729 HydrophobicContact CD1-CH2 4.41Å; L698-W729 HydrophobicContact CD1-CZ3 4.03Å; L698-W729 HydrophobicContact CD2-CZ3 4.5Å; L698-W729 HydrophobicContact CG-CZ3 4.33Å
699	H	95.3	Very high	94.7	Very high	65 Å²	65	46.8 Å²	46.8	30%	0.301	24%	0.241	S	C	.	.			trans	-128.2	67.5	-166.9	-57.6	155.3	0	0	0	112	Y450 F452 N684 Q697	Y450-H699 PolarHBondContact O-N 2.89Å; F452-H699 AromaticContact CD2-CE1 3.79Å; F452-H699 AromaticContact CD2-ND1 3.58Å; F452-H699 AromaticContact CE2-CE1 3.88Å; F452-H699 AromaticContact CE2-ND1 3.32Å; F452-H699 VanDerWaalsContact CE2-ND1 3.32Å; F452-H699 WeakPolarHBondContact CE2-ND1 3.47Å; N684-H699 PolarHBondContact OD1-CD2 2.86Å; N684-H699 PolarHBondContact OD1-NE2 3.32Å; Q697-H699 WeakPolarHBondContact CG-NE2 3.38Å; Q697-H699 PolarHBondContact NE2-NE2 2.67Å
700	L	95	Very high	94.9	Very high	43 Å²	43	46.7 Å²	46.7	23%	0.225	24%	0.241	C	C	.	.			trans	-126.4	12.6	171.9	-65.1	179.2	0	0	0	114.2	Y450 L725 N727 W729 S736	Y450-L700 HydrophobicContact CD1-CD2 4.17Å; Y450-L700 HydrophobicContact CD2-CD1 3.6Å; Y450-L700 HydrophobicContact CD2-CD2 4.03Å; Y450-L700 HydrophobicContact CD2-CG 3.65Å; Y450-L700 HydrophobicContact CE2-CD1 3.81Å; Y450-L700 HydrophobicContact CE2-CG 4.37Å; Y450-L700 HydrophobicContact CG-CD1 4.07Å; Y450-L700 HydrophobicContact CG-CD2 3.66Å; Y450-L700 HydrophobicContact CG-CG 3.82Å; L700-L725 WeakPolarHBondContact O-CD1 3.28Å; L700-N727 PolarHBondContact O-ND2 3.28Å; L700-W729 HydrophobicContact CB-CH2 3.54Å; L700-W729 HydrophobicContact CB-CZ2 4.07Å; L700-W729 HydrophobicContact CB-CZ3 4.37Å; L700-W729 HydrophobicContact CD1-CH2 3.72Å; L700-W729 HydrophobicContact CD1-CZ3 3.69Å; L700-W729 HydrophobicContact CG-CH2 3.7Å; L700-W729 HydrophobicContact CG-CZ3 4.06Å; L700-S736 VanDerWaalsContact CD1-CB 3.5Å; L700-S736 WeakPolarHBondContact CD1-OG 3.31Å
701	H	96.6	Very high	95.1	Very high	12 Å²	12	46 Å²	46	6%	0.056	24%	0.236	C	C	.	.			trans	-108.6	147.4	167.6	-77.1	-72.4	0	0	0	110	S683 V705 S719 G721 D723 N727	S683-H701 WeakPolarHBondContact CB-O 3.33Å; S683-H701 WeakPolarHBondContact O-CB 3.43Å; S683-H701 PolarHBondContact OG-O 3.23Å; H701-V705 HydrophobicContact CB-CG2 4.31Å; H701-S719 PolarHBondContact NE2-OG 2.9Å; H701-G721 PolarHBondContact CE1-N 2.87Å; H701-D723 WeakPolarHBondContact CA-OD2 3.5Å; H701-D723 WeakPolarHBondContact CB-OD2 3.22Å; H701-D723 IonicContact CE1-OD1 2.79Å; H701-D723 IonicContact CG-OD2 2.67Å; H701-D723 IonicContact ND1-OD1 3.2Å; H701-D723 PolarHBondContact ND1-OD1 2.88Å; H701-D723 IonicContact ND1-OD2 2.95Å; H701-D723 PolarHBondContact ND1-OD2 3.21Å; H701-N727 PolarHBondContact CD2-ND2 3Å; H701-N727 PolarHBondContact CE1-ND2 2.81Å; H701-N727 PolarHBondContact ND1-ND2 3.3Å; H701-N727 PolarHBondContact NE2-ND2 2.92Å
702	E	95.1	Very high	95.5	Very high	159 Å²	159	43 Å²	43	74%	0.743	21%	0.214	S	C	*	.	S	Bend	trans	-100.9	-4.1	176.1	-62.2	179.4	164.3	0	0	111.6	D723	E702-D723 HydrophobicContact CB-CB 4.08Å; E702-D723 PolarHBondContact N-OD2 3.46Å
703	S	96.9	Very high	95.7	Very high	38 Å²	38	39.9 Å²	39.9	27%	0.266	21%	0.205	S	C	.	.	S	Bend	trans	-156.3	179.3	-179.6	-157.9	0	0	0	0	111.5	S683	S683-S703 WeakPolarHBondContact CA-O 3.39Å; S683-S703 WeakPolarHBondContact CB-O 3.29Å
704	C	96.9	Very high	96.1	Very high	17 Å²	17	35.7 Å²	35.7	12%	0.115	18%	0.179	C	C	.	.			trans	-46.7	135.1	-172.7	-47.8	0	0	0	0	114.2	F665 E681 L706 G721 K722	F665-C704 HydrophobicContact CD2-CB 3.97Å; F665-C704 HydrophobicContact CE2-CB 3.79Å; E681-C704 WeakPolarHBondContact O-CA 3.37Å; E681-C704 PolarHBondContact O-SG 3.4Å; C704-L706 HydrophobicContact CB-CD2 3.84Å; C704-L706 PolarHBondContact O-N 2.78Å; C704-G721 WeakPolarHBondContact O-CA 3.22Å; C704-K722 HydrophobicContact CB-CB 4.3Å; C704-K722 PolarHBondContact O-N 3.01Å
705	V	98.1	Very high	96.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	98.7	178	-172.2	0	0	0	0	110.1	S666 M680 V685 H701 T720	S666-V705 PolarHBondContact OG-O 2.91Å; S666-V705 VanDerWaalsContact OG-O 3.06Å; M680-V705 PolarHBondContact O-N 2.79Å; V685-V705 HydrophobicContact CG2-CG1 4.03Å; V685-V705 HydrophobicContact CG2-CG2 3.97Å; H701-V705 HydrophobicContact CB-CG2 4.31Å; V705-T720 CarbonylContact C-O 3.54Å
706	L	97.9	Very high	96.6	Very high	41 Å²	41	34.7 Å²	34.7	22%	0.215	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-28.2	-166.5	-55.2	-178.4	0	0	0	113.6	F665 C704 T720 K722 L747	F665-L706 HydrophobicContact CD2-CD2 4.14Å; C704-L706 HydrophobicContact CB-CD2 3.84Å; C704-L706 PolarHBondContact O-N 2.78Å; L706-T720 PolarHBondContact N-O 2.92Å; L706-K722 HydrophobicContact CD1-CB 3.97Å; L706-K722 HydrophobicContact CG-CB 4.29Å; L706-L747 HydrophobicContact CD1-CD2 3.55Å
707	S	97.8	Very high	96.7	Very high	21 Å²	21	33 Å²	33	15%	0.147	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	151.3	178.9	-146.6	0	0	0	0	111.6	S719 T720 C749	S707-S719 CarbonylContact O-C 3.53Å; S707-S719 VanDerWaalsContact O-CA 3.32Å; S707-S719 WeakPolarHBondContact O-CA 3.24Å; S707-T720 WeakPolarHBondContact CB-OG1 3.29Å; S707-T720 PolarHBondContact N-O 2.75Å; S707-T720 PolarHBondContact N-OG1 2.94Å; S707-T720 PolarHBondContact O-N 3.46Å; S707-C749 PolarHBondContact OG-N 2.88Å; S707-C749 VanDerWaalsContact OG-N 3.16Å; S707-C749 PolarHBondContact OG-SG 3.19Å
708	L	97.5	Very high	96.8	Very high	12 Å²	12	31.8 Å²	31.8	6%	0.063	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	136.9	177.2	-167	149.2	0	0	0	108.7	A677 V685 F710 F717 V718	A677-L708 HydrophobicContact CB-CD1 3.68Å; A677-L708 HydrophobicContact CB-CD2 3.87Å; A677-L708 HydrophobicContact CB-CG 4.44Å; V685-L708 HydrophobicContact CG1-CD1 3.89Å; L708-F710 HydrophobicContact CD2-CD2 4.08Å; L708-F710 HydrophobicContact CD2-CE2 4.03Å; L708-F717 HydrophobicContact CD1-CD2 4.23Å; L708-F717 HydrophobicContact CD1-CE2 4.17Å; L708-F717 HydrophobicContact CD2-CD2 4.23Å; L708-F717 HydrophobicContact CG-CD2 4.16Å; L708-V718 WeakPolarHBondContact CA-O 3.16Å
709	R	98.1	Very high	96.9	Very high	70 Å²	70	31.7 Å²	31.7	26%	0.264	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	127.3	175.7	-179.2	65.2	-166.5	-128.5	15.9	111	H712 F717 V718 D750 I751	R709-H712 PolarHBondContact NH2-CE1 3.49Å; R709-H712 PolarHBondContact NH2-NE2 2.91Å; R709-F717 CarbonylContact O-C 3.57Å; R709-F717 WeakPolarHBondContact O-CA 3.28Å; R709-F717 WeakPolarHBondContact O-CB 3.37Å; R709-V718 HydrophobicContact CB-CG2 4.21Å; R709-V718 PolarHBondContact N-O 3.38Å; R709-V718 PolarHBondContact O-N 3.33Å; R709-D750 IonicContact CZ-OD1 3.47Å; R709-D750 IonicContact NE-OD1 3.96Å; R709-D750 IonicContact NH1-OD1 3.7Å; R709-D750 PolarHBondContact NH1-OD1 2.99Å; R709-I751 HydrophobicContact CB-CD1 4.27Å; R709-I751 HydrophobicContact CB-CG1 4.28Å; R709-I751 HydrophobicContact CG-CB 4.06Å; R709-I751 HydrophobicContact CG-CD1 3.91Å; R709-I751 HydrophobicContact CG-CG1 3.7Å
710	F	98.1	Very high	97	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.026	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	142.9	168.1	-83.8	-92.8	0	0	0	111.4	G668 C670 P671 A677 L708 F717 T731	G668-F710 VanDerWaalsContact O-CE2 3.27Å; G668-F710 WeakPolarHBondContact O-CE2 3.47Å; C670-F710 HydrophobicContact CB-CD1 4.03Å; C670-F710 HydrophobicContact CB-CE1 3.72Å; C670-F710 HydrophobicContact CB-CZ 3.99Å; P671-F710 HydrophobicContact CG-CB 4.21Å; A677-F710 HydrophobicContact CB-CE2 3.63Å; A677-F710 HydrophobicContact CB-CZ 3.78Å; L708-F710 HydrophobicContact CD2-CD2 4.08Å; L708-F710 HydrophobicContact CD2-CE2 4.03Å; F710-F717 HydrophobicContact CB-CB 4.38Å; F710-F717 HydrophobicContact CD1-CB 3.72Å; F710-F717 HydrophobicContact CD1-CD1 4.34Å; F710-F717 HydrophobicContact CD1-CG 4.4Å; F710-F717 HydrophobicContact CD2-CB 4.21Å; F710-F717 HydrophobicContact CE1-CB 3.95Å; F710-F717 AromaticContact CE1-CD1 3.73Å; F710-F717 HydrophobicContact CE1-CD1 3.73Å; F710-F717 HydrophobicContact CE1-CG 4.12Å; F710-F717 HydrophobicContact CE2-CB 4.41Å; F710-F717 HydrophobicContact CG-CB 3.86Å; F710-F717 HydrophobicContact CZ-CB 4.29Å; F710-F717 AromaticContact CZ-CD1 3.93Å; F710-F717 HydrophobicContact CZ-CD1 3.93Å; F710-F717 HydrophobicContact CZ-CG 4.2Å; F710-T731 HydrophobicContact CE1-CG2 3.88Å
711	A	97.4	Very high	97.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.134	C	C	.	.			trans	-68.9	147.8	162.3	0	0	0	0	0	109.6	C713 G714 W716 I751 D755	A711-C713 PolarHBondContact O-N 3.1Å; A711-G714 WeakPolarHBondContact O-CA 3.42Å; A711-G714 PolarHBondContact O-N 2.83Å; A711-W716 HydrophobicContact CB-CD2 3.72Å; A711-W716 HydrophobicContact CB-CE3 4.38Å; A711-W716 HydrophobicContact CB-CG 4.01Å; A711-W716 HydrophobicContact CB-CH2 4.36Å; A711-W716 HydrophobicContact CB-CZ2 3.7Å; A711-W716 VanDerWaalsContact CB-O 3.3Å; A711-W716 WeakPolarHBondContact CB-O 3.39Å; A711-W716 PolarHBondContact N-O 3.26Å; A711-I751 HydrophobicContact CB-CD1 4.39Å; A711-D755 HydrophobicContact CB-CB 4.46Å
712	H	95.1	Very high	97.1	Very high	54 Å²	54	31.3 Å²	31.3	25%	0.25	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-26.1	-173.7	-59.2	86.5	0	0	0	112.8	R709 G714 I751 S752 D755	R709-H712 PolarHBondContact NH2-CE1 3.49Å; R709-H712 PolarHBondContact NH2-NE2 2.91Å; H712-G714 PolarHBondContact O-N 3.04Å; H712-I751 PolarHBondContact CE1-O 2.89Å; H712-S752 PolarHBondContact CE1-O 3.35Å; H712-S752 PolarHBondContact ND1-O 3.44Å; H712-D755 WeakPolarHBondContact CB-OD1 3.25Å; H712-D755 IonicContact CE1-OD1 3.13Å; H712-D755 IonicContact CG-OD1 2.75Å; H712-D755 VanDerWaalsContact N-CG 3.29Å; H712-D755 PolarHBondContact N-OD1 3.48Å; H712-D755 PolarHBondContact N-OD2 3.4Å; H712-D755 IonicContact ND1-OD1 3.63Å; H712-D755 PolarHBondContact ND1-OD1 3.11Å
713	C	94.9	Very high	97.1	Very high	43 Å²	43	24.5 Å²	24.5	29%	0.291	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-7.7	168.4	65.9	0	0	0	0	114.6	A711 K715 D755	A711-C713 PolarHBondContact O-N 3.1Å; C713-K715 HydrophobicContact CB-CG 4.49Å; C713-K715 PolarHBondContact O-N 3.01Å; C713-D755 WeakPolarHBondContact CB-OD2 3.14Å; C713-D755 PolarHBondContact N-OD2 3.32Å; C713-D755 PolarHBondContact SG-OD2 3.06Å
714	G	95.5	Very high	97.2	Very high	2 Å²	2	24.5 Å²	24.5	2%	0.021	12%	0.12	C	C	.	.	S	Bend	trans	68.8	-16.1	-179.8	0	0	0	0	0	116.1	A711 H712 W716 T731	A711-G714 WeakPolarHBondContact O-CA 3.42Å; A711-G714 PolarHBondContact O-N 2.83Å; H712-G714 PolarHBondContact O-N 3.04Å; G714-W716 VanDerWaalsContact C-N 3.26Å; G714-W716 PolarHBondContact O-N 3.44Å; G714-T731 WeakPolarHBondContact O-CB 3.36Å; G714-T731 WeakPolarHBondContact O-CG2 3.45Å; G714-T731 PolarHBondContact O-OG1 3.06Å
715	K	95.9	Very high	97.2	Very high	83 Å²	83	24.1 Å²	24.1	36%	0.361	12%	0.117	S	C	.	.	S	Bend	trans	-67.7	-22.2	-173.2	-57.9	-169.4	-175.6	-170.9	0	114.6	P473 I475 C713 R730 T731	P473-K715 PolarHBondContact O-NZ 3.39Å; I475-K715 HydrophobicContact CD1-CB 3.78Å; I475-K715 HydrophobicContact CD1-CD 4.17Å; C713-K715 HydrophobicContact CB-CG 4.49Å; C713-K715 PolarHBondContact O-N 3.01Å; K715-R730 PolarHBondContact O-NH1 3.4Å; K715-T731 VanDerWaalsContact C-OG1 3.27Å; K715-T731 PolarHBondContact O-N 2.95Å; K715-T731 PolarHBondContact O-OG1 3.49Å
716	W	97.4	Very high	97.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	161.8	-179.5	64.6	-79.8	0	0	0	111.4	P476 A711 G714 V718 W729 T731 I737 I751 D755 I758 V772 Y774	P476-W716 HydrophobicContact CG-CD2 3.76Å; P476-W716 HydrophobicContact CG-CE3 4.11Å; P476-W716 HydrophobicContact CG-CG 4.3Å; P476-W716 HydrophobicContact CG-CH2 4.12Å; P476-W716 HydrophobicContact CG-CZ2 3.76Å; P476-W716 HydrophobicContact CG-CZ3 4.26Å; A711-W716 HydrophobicContact CB-CD2 3.72Å; A711-W716 HydrophobicContact CB-CE3 4.38Å; A711-W716 HydrophobicContact CB-CG 4.01Å; A711-W716 HydrophobicContact CB-CH2 4.36Å; A711-W716 HydrophobicContact CB-CZ2 3.7Å; A711-W716 VanDerWaalsContact CB-O 3.3Å; A711-W716 WeakPolarHBondContact CB-O 3.39Å; A711-W716 PolarHBondContact N-O 3.26Å; G714-W716 VanDerWaalsContact C-N 3.26Å; G714-W716 PolarHBondContact O-N 3.44Å; W716-V718 HydrophobicContact CE3-CG1 4.19Å; W716-V718 HydrophobicContact CZ3-CG1 3.61Å; W716-W729 CarbonylContact C-O 3.6Å; W716-W729 WeakPolarHBondContact CA-O 3.26Å; W716-W729 VanDerWaalsContact CB-O 3.24Å; W716-W729 WeakPolarHBondContact CB-O 3.43Å; W716-T731 WeakPolarHBondContact CA-OG1 3.27Å; W716-T731 PolarHBondContact N-OG1 3.32Å; W716-I737 HydrophobicContact CB-CD1 3.53Å; W716-I737 HydrophobicContact CG-CD1 4.33Å; W716-I751 HydrophobicContact CH2-CD1 4.14Å; W716-I751 HydrophobicContact CZ3-CD1 4.18Å; W716-D755 HydrophobicContact CZ2-CB 4.3Å; W716-I758 HydrophobicContact CH2-CD1 3.94Å; W716-I758 HydrophobicContact CH2-CG1 4.16Å; W716-I758 HydrophobicContact CZ3-CD1 4.03Å; W716-V772 HydrophobicContact CH2-CG1 4.19Å; W716-V772 HydrophobicContact CH2-CG2 4.16Å; W716-V772 HydrophobicContact CZ2-CG1 4.1Å; W716-Y774 VanDerWaalsContact CZ2-OH 3.29Å; W716-Y774 WeakPolarHBondContact CZ2-OH 3.38Å; W716-Y774 PolarHBondContact NE1-OH 2.84Å
717	F	98.3	Very high	97.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	165.4	175	65.8	-88.9	0	0	0	110.6	A677 V685 V687 L698 L708 R709 F710 A728 W729	A677-F717 HydrophobicContact CB-CE2 4.27Å; A677-F717 HydrophobicContact CB-CZ 4.31Å; V685-F717 HydrophobicContact CG1-CE2 4.13Å; V685-F717 HydrophobicContact CG1-CZ 4.42Å; V687-F717 HydrophobicContact CG2-CE1 4.16Å; V687-F717 HydrophobicContact CG2-CZ 3.81Å; L698-F717 HydrophobicContact CD1-CZ 3.95Å; L708-F717 HydrophobicContact CD1-CD2 4.23Å; L708-F717 HydrophobicContact CD1-CE2 4.17Å; L708-F717 HydrophobicContact CD2-CD2 4.23Å; L708-F717 HydrophobicContact CG-CD2 4.16Å; R709-F717 CarbonylContact O-C 3.57Å; R709-F717 WeakPolarHBondContact O-CA 3.28Å; R709-F717 WeakPolarHBondContact O-CB 3.37Å; F710-F717 HydrophobicContact CB-CB 4.38Å; F710-F717 HydrophobicContact CD1-CB 3.72Å; F710-F717 HydrophobicContact CD1-CD1 4.34Å; F710-F717 HydrophobicContact CD1-CG 4.4Å; F710-F717 HydrophobicContact CD2-CB 4.21Å; F710-F717 HydrophobicContact CE1-CB 3.95Å; F710-F717 AromaticContact CE1-CD1 3.73Å; F710-F717 HydrophobicContact CE1-CD1 3.73Å; F710-F717 HydrophobicContact CE1-CG 4.12Å; F710-F717 HydrophobicContact CE2-CB 4.41Å; F710-F717 HydrophobicContact CG-CB 3.86Å; F710-F717 HydrophobicContact CZ-CB 4.29Å; F710-F717 AromaticContact CZ-CD1 3.93Å; F710-F717 HydrophobicContact CZ-CD1 3.93Å; F710-F717 HydrophobicContact CZ-CG 4.2Å; F717-A728 WeakPolarHBondContact O-CA 3.32Å; F717-W729 HydrophobicContact CD1-CB 3.97Å; F717-W729 HydrophobicContact CD2-CB 4.05Å; F717-W729 AromaticContact CD2-CD1 3.7Å; F717-W729 HydrophobicContact CD2-CG 4.18Å; F717-W729 HydrophobicContact CE1-CB 3.6Å; F717-W729 HydrophobicContact CE1-CG 4.39Å; F717-W729 HydrophobicContact CE2-CB 3.68Å; F717-W729 AromaticContact CE2-CD1 3.33Å; F717-W729 AromaticContact CE2-CG 3.62Å; F717-W729 HydrophobicContact CE2-CG 3.62Å; F717-W729 HydrophobicContact CG-CB 4.18Å; F717-W729 HydrophobicContact CZ-CB 3.45Å; F717-W729 VanDerWaalsContact CZ-CB 3.45Å; F717-W729 AromaticContact CZ-CD1 3.96Å; F717-W729 AromaticContact CZ-CG 3.75Å; F717-W729 HydrophobicContact CZ-CG 3.75Å; F717-W729 PolarHBondContact N-O 3.12Å; F717-W729 PolarHBondContact O-N 3.25Å
718	V	98.4	Very high	97.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	149.5	170.7	-56.2	0	0	0	0	111	L708 R709 W716 L726 N727 A728 C749 I751 I758	L708-V718 WeakPolarHBondContact CA-O 3.16Å; R709-V718 HydrophobicContact CB-CG2 4.21Å; R709-V718 PolarHBondContact N-O 3.38Å; R709-V718 PolarHBondContact O-N 3.33Å; W716-V718 HydrophobicContact CE3-CG1 4.19Å; W716-V718 HydrophobicContact CZ3-CG1 3.61Å; V718-L726 HydrophobicContact CB-CD1 3.84Å; V718-L726 HydrophobicContact CG1-CD1 4.19Å; V718-L726 HydrophobicContact CG2-CD1 4.2Å; V718-N727 CarbonylContact C-O 3.55Å; V718-N727 VanDerWaalsContact CA-O 3.25Å; V718-N727 WeakPolarHBondContact CA-O 3.48Å; V718-A728 HydrophobicContact CG1-CB 4.28Å; V718-C749 HydrophobicContact CG2-CB 4.3Å; V718-I751 HydrophobicContact CG1-CD1 4.26Å; V718-I751 HydrophobicContact CG2-CD1 4.1Å; V718-I758 HydrophobicContact CG1-CD1 4.14Å
719	S	98.3	Very high	97.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.8	163	67.5	0	0	0	0	110.5	H701 S707 N727 W729	H701-S719 PolarHBondContact NE2-OG 2.9Å; S707-S719 CarbonylContact O-C 3.53Å; S707-S719 VanDerWaalsContact O-CA 3.32Å; S707-S719 WeakPolarHBondContact O-CA 3.24Å; S719-N727 PolarHBondContact N-O 2.92Å; S719-N727 PolarHBondContact O-N 2.88Å; S719-W729 PolarHBondContact OG-NE1 3.41Å
720	T	98.1	Very high	97.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.2	179.6	74.7	0	0	0	0	111.4	V705 L706 S707 L725 L726 V746 C749 T760	V705-T720 CarbonylContact C-O 3.54Å; L706-T720 PolarHBondContact N-O 2.92Å; S707-T720 WeakPolarHBondContact CB-OG1 3.29Å; S707-T720 PolarHBondContact N-O 2.75Å; S707-T720 PolarHBondContact N-OG1 2.94Å; S707-T720 PolarHBondContact O-N 3.46Å; T720-L725 WeakPolarHBondContact CA-O 3.43Å; T720-L726 HydrophobicContact CG2-CD1 3.8Å; T720-V746 WeakPolarHBondContact CB-O 3.35Å; T720-V746 HydrophobicContact CG2-CB 4.41Å; T720-V746 HydrophobicContact CG2-CG1 3.66Å; T720-V746 PolarHBondContact OG1-O 3.41Å; T720-C749 HydrophobicContact CG2-CB 3.75Å; T720-T760 HydrophobicContact CG2-CG2 4.45Å
721	G	96.2	Very high	97.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	157.4	-171.8	0	0	0	0	0	114.7	H701 C704 D723 N724 L725 V746	H701-G721 PolarHBondContact CE1-N 2.87Å; C704-G721 WeakPolarHBondContact O-CA 3.22Å; G721-D723 VanDerWaalsContact CA-OD1 3.25Å; G721-D723 WeakPolarHBondContact CA-OD1 3.4Å; G721-D723 PolarHBondContact O-N 3.37Å; G721-N724 PolarHBondContact O-N 3.11Å; G721-L725 PolarHBondContact N-O 2.99Å; G721-V746 PolarHBondContact O-N 3.43Å
722	K	96.9	Very high	97	Very high	112 Å²	112	20 Å²	20	49%	0.487	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-18.1	169.2	-169.8	176	178.8	-179.8	0	112.8	C704 L706 N724 S745	C704-K722 HydrophobicContact CB-CB 4.3Å; C704-K722 PolarHBondContact O-N 3.01Å; L706-K722 HydrophobicContact CD1-CB 3.97Å; L706-K722 HydrophobicContact CG-CB 4.29Å; K722-N724 PolarHBondContact O-N 3.4Å; K722-N724 PolarHBondContact O-OD1 3.42Å; K722-S745 WeakPolarHBondContact O-CB 3.37Å; K722-S745 PolarHBondContact O-OG 3.03Å
723	D	96.1	Very high	96.9	Very high	16 Å²	16	18.4 Å²	18.4	9%	0.086	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	5.5	173.1	58.5	10	0	0	0	115.3	H701 E702 G721 L725	H701-D723 WeakPolarHBondContact CA-OD2 3.5Å; H701-D723 WeakPolarHBondContact CB-OD2 3.22Å; H701-D723 IonicContact CE1-OD1 2.79Å; H701-D723 IonicContact CG-OD2 2.67Å; H701-D723 IonicContact ND1-OD1 3.2Å; H701-D723 PolarHBondContact ND1-OD1 2.88Å; H701-D723 IonicContact ND1-OD2 2.95Å; H701-D723 PolarHBondContact ND1-OD2 3.21Å; E702-D723 HydrophobicContact CB-CB 4.08Å; E702-D723 PolarHBondContact N-OD2 3.46Å; G721-D723 VanDerWaalsContact CA-OD1 3.25Å; G721-D723 WeakPolarHBondContact CA-OD1 3.4Å; G721-D723 PolarHBondContact O-N 3.37Å; D723-L725 VanDerWaalsContact C-N 3.31Å; D723-L725 WeakPolarHBondContact OD1-CB 3.46Å; D723-L725 PolarHBondContact OD1-N 3.39Å
724	N	97.4	Very high	96.9	Very high	38 Å²	38	16.4 Å²	16.4	20%	0.203	8%	0.077	C	C	.	.	S	Bend	trans	72.7	14.7	-177.9	-36.9	-14	0	0	0	114.4	G721 K722 E742 S743 S744 S745	G721-N724 PolarHBondContact O-N 3.11Å; K722-N724 PolarHBondContact O-N 3.4Å; K722-N724 PolarHBondContact O-OD1 3.42Å; N724-E742 VanDerWaalsContact CB-O 3.23Å; N724-E742 WeakPolarHBondContact CB-O 3.35Å; N724-E742 PolarHBondContact O-N 3.49Å; N724-S743 PolarHBondContact ND2-O 3.48Å; N724-S744 WeakPolarHBondContact CB-O 3.39Å; N724-S744 VanDerWaalsContact CG-CA 3.42Å; N724-S744 WeakPolarHBondContact ND2-CA 3.32Å; N724-S744 PolarHBondContact ND2-N 2.95Å; N724-S744 WeakPolarHBondContact OD1-CA 2.82Å; N724-S745 WeakPolarHBondContact OD1-CA 3.43Å; N724-S745 PolarHBondContact OD1-N 3.1Å
725	L	97.4	Very high	96.9	Very high	8 Å²	8	16.3 Å²	16.3	4%	0.042	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	137.6	179.7	-59.9	179.1	0	0	0	112.4	L700 T720 G721 D723 Q739 K741	L700-L725 WeakPolarHBondContact O-CD1 3.28Å; T720-L725 WeakPolarHBondContact CA-O 3.43Å; G721-L725 PolarHBondContact N-O 2.99Å; D723-L725 VanDerWaalsContact C-N 3.31Å; D723-L725 WeakPolarHBondContact OD1-CB 3.46Å; D723-L725 PolarHBondContact OD1-N 3.39Å; L725-Q739 HydrophobicContact CD2-CG 4.07Å; L725-K741 HydrophobicContact CD2-CB 3.92Å; L725-K741 HydrophobicContact CD2-CD 3.92Å; L725-K741 HydrophobicContact CD2-CG 3.96Å
726	L	98	Very high	97	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	-104.9	106.9	157.4	169.2	67.6	0	0	0	106.9	V718 T720 F738 Q739 S740 I758 T760 Y770	V718-L726 HydrophobicContact CB-CD1 3.84Å; V718-L726 HydrophobicContact CG1-CD1 4.19Å; V718-L726 HydrophobicContact CG2-CD1 4.2Å; T720-L726 HydrophobicContact CG2-CD1 3.8Å; L726-F738 HydrophobicContact CD2-CE2 4.48Å; L726-Q739 WeakPolarHBondContact O-CA 3.46Å; L726-S740 PolarHBondContact N-O 2.85Å; L726-S740 PolarHBondContact O-N 3.24Å; L726-I758 HydrophobicContact CD2-CG2 4.43Å; L726-T760 HydrophobicContact CD1-CG2 4.13Å; L726-T760 HydrophobicContact CD2-CG2 4.05Å; L726-Y770 HydrophobicContact CD2-CD2 4.18Å; L726-Y770 HydrophobicContact CD2-CE2 3.88Å
727	N	98	Very high	96.9	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.2	177.2	-77.3	-47	0	0	0	109.7	L700 H701 V718 S719 W729 Q739	L700-N727 PolarHBondContact O-ND2 3.28Å; H701-N727 PolarHBondContact CD2-ND2 3Å; H701-N727 PolarHBondContact CE1-ND2 2.81Å; H701-N727 PolarHBondContact ND1-ND2 3.3Å; H701-N727 PolarHBondContact NE2-ND2 2.92Å; V718-N727 CarbonylContact C-O 3.55Å; V718-N727 VanDerWaalsContact CA-O 3.25Å; V718-N727 WeakPolarHBondContact CA-O 3.48Å; S719-N727 PolarHBondContact N-O 2.92Å; S719-N727 PolarHBondContact O-N 2.88Å; N727-W729 HydrophobicContact CB-CZ2 3.89Å; N727-Q739 WeakPolarHBondContact OD1-CG 3.3Å; N727-Q739 PolarHBondContact OD1-NE2 3.32Å
728	A	97.9	Very high	96.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	134.5	172.6	0	0	0	0	0	111.1	F717 V718 I737 F738	F717-A728 WeakPolarHBondContact O-CA 3.32Å; V718-A728 HydrophobicContact CG1-CB 4.28Å; A728-I737 HydrophobicContact CB-CB 4.34Å; A728-I737 PolarHBondContact O-N 3.2Å; A728-F738 HydrophobicContact CB-CD1 3.65Å; A728-F738 HydrophobicContact CB-CD2 3.89Å; A728-F738 HydrophobicContact CB-CE1 3.41Å; A728-F738 VanDerWaalsContact CB-CE1 3.41Å; A728-F738 HydrophobicContact CB-CE2 3.66Å; A728-F738 HydrophobicContact CB-CG 3.88Å; A728-F738 HydrophobicContact CB-CZ 3.4Å; A728-F738 VanDerWaalsContact CB-CZ 3.4Å; A728-F738 PolarHBondContact N-O 3.43Å
729	W	97.8	Very high	96.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	138.4	-163.6	-56	99.7	0	0	0	111.9	Y450 L698 L700 W716 F717 S719 N727 G734 A735 I737	Y450-W729 HydrophobicContact CD2-CZ3 4.09Å; Y450-W729 HydrophobicContact CE2-CZ3 4.19Å; L698-W729 HydrophobicContact CB-CE3 4.48Å; L698-W729 HydrophobicContact CB-CH2 3.68Å; L698-W729 HydrophobicContact CB-CZ2 4.34Å; L698-W729 HydrophobicContact CB-CZ3 3.79Å; L698-W729 HydrophobicContact CD1-CD2 4.1Å; L698-W729 HydrophobicContact CD1-CE3 3.87Å; L698-W729 HydrophobicContact CD1-CH2 4.41Å; L698-W729 HydrophobicContact CD1-CZ3 4.03Å; L698-W729 HydrophobicContact CD2-CZ3 4.5Å; L698-W729 HydrophobicContact CG-CZ3 4.33Å; L700-W729 HydrophobicContact CB-CH2 3.54Å; L700-W729 HydrophobicContact CB-CZ2 4.07Å; L700-W729 HydrophobicContact CB-CZ3 4.37Å; L700-W729 HydrophobicContact CD1-CH2 3.72Å; L700-W729 HydrophobicContact CD1-CZ3 3.69Å; L700-W729 HydrophobicContact CG-CH2 3.7Å; L700-W729 HydrophobicContact CG-CZ3 4.06Å; W716-W729 CarbonylContact C-O 3.6Å; W716-W729 WeakPolarHBondContact CA-O 3.26Å; W716-W729 VanDerWaalsContact CB-O 3.24Å; W716-W729 WeakPolarHBondContact CB-O 3.43Å; F717-W729 HydrophobicContact CD1-CB 3.97Å; F717-W729 HydrophobicContact CD2-CB 4.05Å; F717-W729 AromaticContact CD2-CD1 3.7Å; F717-W729 HydrophobicContact CD2-CG 4.18Å; F717-W729 HydrophobicContact CE1-CB 3.6Å; F717-W729 HydrophobicContact CE1-CG 4.39Å; F717-W729 HydrophobicContact CE2-CB 3.68Å; F717-W729 AromaticContact CE2-CD1 3.33Å; F717-W729 AromaticContact CE2-CG 3.62Å; F717-W729 HydrophobicContact CE2-CG 3.62Å; F717-W729 HydrophobicContact CG-CB 4.18Å; F717-W729 HydrophobicContact CZ-CB 3.45Å; F717-W729 VanDerWaalsContact CZ-CB 3.45Å; F717-W729 AromaticContact CZ-CD1 3.96Å; F717-W729 AromaticContact CZ-CG 3.75Å; F717-W729 HydrophobicContact CZ-CG 3.75Å; F717-W729 PolarHBondContact N-O 3.12Å; F717-W729 PolarHBondContact O-N 3.25Å; S719-W729 PolarHBondContact OG-NE1 3.41Å; N727-W729 HydrophobicContact CB-CZ2 3.89Å; W729-G734 VanDerWaalsContact CE3-O 3.3Å; W729-A735 CarbonylContact C-O 3.4Å; W729-A735 WeakPolarHBondContact CA-O 3.37Å; W729-I737 VanDerWaalsContact C-CD1 3.49Å
730	R	97.4	Very high	96.6	Very high	31 Å²	31	22.1 Å²	22.1	12%	0.117	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	124	172.6	-174.8	76.2	177	76.1	14.1	110.9	D468 A469 K715 Y733 G734 A735 I737	D468-R730 PolarHBondContact O-NE 3.17Å; D468-R730 IonicContact OD2-CZ 3.41Å; D468-R730 IonicContact OD2-NE 3.23Å; D468-R730 IonicContact OD2-NH2 3.92Å; D468-R730 PolarHBondContact OD2-NH2 3.1Å; A469-R730 WeakPolarHBondContact O-CB 3.39Å; A469-R730 WeakPolarHBondContact O-CD 3.26Å; A469-R730 VanDerWaalsContact O-CG 3.24Å; A469-R730 WeakPolarHBondContact O-CG 3.49Å; K715-R730 PolarHBondContact O-NH1 3.4Å; R730-Y733 HydrophobicContact CB-CE2 4.01Å; R730-Y733 HydrophobicContact CG-CE2 3.55Å; R730-Y733 WeakPolarHBondContact CG-OH 3.36Å; R730-G734 WeakPolarHBondContact O-CA 3.3Å; R730-G734 PolarHBondContact O-N 2.9Å; R730-A735 HydrophobicContact CB-CB 3.92Å; R730-A735 PolarHBondContact N-O 3.1Å; R730-I737 HydrophobicContact CB-CD1 4.19Å; R730-I737 HydrophobicContact CB-CG1 4.22Å
731	T	96.3	Very high	96.5	Very high	10 Å²	10	28.5 Å²	28.5	6%	0.061	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	136.7	174.7	-47	0	0	0	0	111	F710 G714 K715 W716	F710-T731 HydrophobicContact CE1-CG2 3.88Å; G714-T731 WeakPolarHBondContact O-CB 3.36Å; G714-T731 WeakPolarHBondContact O-CG2 3.45Å; G714-T731 PolarHBondContact O-OG1 3.06Å; K715-T731 VanDerWaalsContact C-OG1 3.27Å; K715-T731 PolarHBondContact O-N 2.95Å; K715-T731 PolarHBondContact O-OG1 3.49Å; W716-T731 WeakPolarHBondContact CA-OG1 3.27Å; W716-T731 PolarHBondContact N-OG1 3.32Å
732	P	94.9	Very high	96.5	Very high	22 Å²	22	29.1 Å²	29.1	14%	0.143	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	cis	-94.5	-23.7	-5.2	35.9	-35.3	0	0	0	114.3	W675 V687 Y696 G734	W675-P732 HydrophobicContact CD2-CB 3.39Å; W675-P732 HydrophobicContact CD2-CG 4.17Å; W675-P732 VanDerWaalsContact CE2-CB 3.44Å; W675-P732 HydrophobicContact CE3-CB 3.68Å; W675-P732 HydrophobicContact CG-CB 3.86Å; W675-P732 HydrophobicContact CH2-CB 4Å; W675-P732 HydrophobicContact CH2-CG 4.02Å; W675-P732 HydrophobicContact CZ2-CB 3.75Å; W675-P732 HydrophobicContact CZ2-CG 3.59Å; W675-P732 HydrophobicContact CZ3-CB 3.97Å; W675-P732 HydrophobicContact CZ3-CG 4.48Å; V687-P732 HydrophobicContact CG1-CB 4.34Å; Y696-P732 HydrophobicContact CD2-CB 4.23Å; Y696-P732 HydrophobicContact CE2-CB 3.98Å; Y696-P732 HydrophobicContact CE2-CG 3.87Å; P732-G734 PolarHBondContact O-N 2.93Å; P732-G734 VanDerWaalsContact O-N 3.12Å
733	Y	93.9	Very high	96.4	Very high	22 Å²	22	27.6 Å²	27.6	9%	0.086	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	5.9	-168	45.7	-105.7	0	0	0	115.4	S451 F465 P466 A469 R730 A735	S451-Y733 PolarHBondContact OG-O 2.81Å; F465-Y733 AromaticContact CD1-CD2 3.81Å; F465-Y733 HydrophobicContact CD1-CD2 3.81Å; F465-Y733 HydrophobicContact CD1-CE2 4.28Å; F465-Y733 HydrophobicContact CE1-CD2 4.11Å; P466-Y733 HydrophobicContact CG-CE1 3.86Å; P466-Y733 HydrophobicContact CG-CE2 4.38Å; P466-Y733 VanDerWaalsContact CG-OH 3.32Å; P466-Y733 WeakPolarHBondContact CG-OH 3.31Å; A469-Y733 WeakPolarHBondContact CA-OH 3.17Å; A469-Y733 HydrophobicContact CB-CE2 3.68Å; R730-Y733 HydrophobicContact CB-CE2 4.01Å; R730-Y733 HydrophobicContact CG-CE2 3.55Å; R730-Y733 WeakPolarHBondContact CG-OH 3.36Å; Y733-A735 HydrophobicContact CD2-CB 4.09Å; Y733-A735 HydrophobicContact CE2-CB 3.94Å; Y733-A735 PolarHBondContact O-N 2.65Å
734	G	95	Very high	96.4	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	45.7	171.4	0	0	0	0	0	114.8	Y450 W729 R730 P732	Y450-G734 WeakPolarHBondContact CE2-O 3.46Å; W729-G734 VanDerWaalsContact CE3-O 3.3Å; R730-G734 WeakPolarHBondContact O-CA 3.3Å; R730-G734 PolarHBondContact O-N 2.9Å; P732-G734 PolarHBondContact O-N 2.93Å; P732-G734 VanDerWaalsContact O-N 3.12Å
735	A	95.9	Very high	96.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	133.5	163.8	0	0	0	0	0	109.1	F465 A469 L470 W729 R730 Y733 I737	F465-A735 HydrophobicContact CD1-CB 3.78Å; F465-A735 HydrophobicContact CD2-CB 4.31Å; F465-A735 HydrophobicContact CE1-CB 3.69Å; F465-A735 HydrophobicContact CE2-CB 4.22Å; F465-A735 HydrophobicContact CG-CB 4.11Å; F465-A735 HydrophobicContact CZ-CB 3.92Å; A469-A735 HydrophobicContact CB-CB 3.9Å; L470-A735 HydrophobicContact CD2-CB 3.84Å; W729-A735 CarbonylContact C-O 3.4Å; W729-A735 WeakPolarHBondContact CA-O 3.37Å; R730-A735 HydrophobicContact CB-CB 3.92Å; R730-A735 PolarHBondContact N-O 3.1Å; Y733-A735 HydrophobicContact CD2-CB 4.09Å; Y733-A735 HydrophobicContact CE2-CB 3.94Å; Y733-A735 PolarHBondContact O-N 2.65Å; A735-I737 PolarHBondContact O-N 2.91Å
736	S	96.4	Very high	96.4	Very high	28 Å²	28	27.2 Å²	27.2	20%	0.196	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	110.2	-177.3	-174	0	0	0	0	110.7	Y450 L470 L700	Y450-S736 PolarHBondContact OH-N 2.95Å; L470-S736 WeakPolarHBondContact CD2-O 3.06Å; L700-S736 VanDerWaalsContact CD1-CB 3.5Å; L700-S736 WeakPolarHBondContact CD1-OG 3.31Å
737	I	96.1	Very high	96.4	Very high	24 Å²	24	29.3 Å²	29.3	12%	0.123	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-51.5	-176.5	-58.1	169.3	0	0	0	109.8	I475 P476 W716 A728 W729 R730 A735	I475-I737 HydrophobicContact CG2-CD1 4Å; I475-I737 HydrophobicContact CG2-CG1 4.22Å; I475-I737 HydrophobicContact CG2-CG2 4.01Å; P476-I737 HydrophobicContact CB-CG2 4.24Å; P476-I737 WeakPolarHBondContact O-CG2 3.26Å; W716-I737 HydrophobicContact CB-CD1 3.53Å; W716-I737 HydrophobicContact CG-CD1 4.33Å; A728-I737 HydrophobicContact CB-CB 4.34Å; A728-I737 PolarHBondContact O-N 3.2Å; W729-I737 VanDerWaalsContact C-CD1 3.49Å; R730-I737 HydrophobicContact CB-CD1 4.19Å; R730-I737 HydrophobicContact CB-CG1 4.22Å; A735-I737 PolarHBondContact O-N 2.91Å
738	F	96.1	Very high	96.4	Very high	22 Å²	22	29.7 Å²	29.7	10%	0.096	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	162.7	170.7	65.9	-100.6	0	0	0	110.5	P476 A479 L726 A728 I758	P476-F738 HydrophobicContact CB-CD1 4.11Å; P476-F738 HydrophobicContact CB-CE1 3.82Å; P476-F738 HydrophobicContact CG-CE1 4.27Å; A479-F738 HydrophobicContact CB-CD2 4.15Å; A479-F738 HydrophobicContact CB-CE1 4.15Å; A479-F738 HydrophobicContact CB-CE2 3.54Å; A479-F738 HydrophobicContact CB-CZ 3.55Å; L726-F738 HydrophobicContact CD2-CE2 4.48Å; A728-F738 HydrophobicContact CB-CD1 3.65Å; A728-F738 HydrophobicContact CB-CD2 3.89Å; A728-F738 HydrophobicContact CB-CE1 3.41Å; A728-F738 VanDerWaalsContact CB-CE1 3.41Å; A728-F738 HydrophobicContact CB-CE2 3.66Å; A728-F738 HydrophobicContact CB-CG 3.88Å; A728-F738 HydrophobicContact CB-CZ 3.4Å; A728-F738 VanDerWaalsContact CB-CZ 3.4Å; A728-F738 PolarHBondContact N-O 3.43Å; F738-I758 HydrophobicContact CZ-CD1 3.77Å
739	Q	96.1	Very high	96.4	Very high	105 Å²	105	30 Å²	30	49%	0.491	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.5	171.5	178.8	175.9	93.3	0	0	108.4	L725 L726 N727	L725-Q739 HydrophobicContact CD2-CG 4.07Å; L726-Q739 WeakPolarHBondContact O-CA 3.46Å; N727-Q739 WeakPolarHBondContact OD1-CG 3.3Å; N727-Q739 PolarHBondContact OD1-NE2 3.32Å
740	S	96.6	Very high	96.4	Very high	27 Å²	27	30.2 Å²	30.2	19%	0.189	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	137.6	167.3	-162.2	0	0	0	0	108.7	L726 Y770	L726-S740 PolarHBondContact N-O 2.85Å; L726-S740 PolarHBondContact O-N 3.24Å; S740-Y770 WeakPolarHBondContact OG-CE1 3.35Å; S740-Y770 PolarHBondContact OG-OH 2.92Å
741	K	96.4	Very high	96.4	Very high	133 Å²	133	28.9 Å²	28.9	58%	0.578	16%	0.159	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.4	113.5	175.2	-174.6	156.8	-170.8	147.7	0	109	L725	L725-K741 HydrophobicContact CD2-CB 3.92Å; L725-K741 HydrophobicContact CD2-CD 3.92Å; L725-K741 HydrophobicContact CD2-CG 3.96Å
742	E	96	Very high	96.4	Very high	14 Å²	14	28.4 Å²	28.4	7%	0.065	16%	0.156	C	C	.	.			trans	-80.1	169.9	170.6	-66.6	-157.1	-127.6	0	0	110.6	N724 S744 V746 T760 T768 Y770	N724-E742 VanDerWaalsContact CB-O 3.23Å; N724-E742 WeakPolarHBondContact CB-O 3.35Å; N724-E742 PolarHBondContact O-N 3.49Å; E742-S744 VanDerWaalsContact C-N 3.3Å; E742-S744 PolarHBondContact O-N 3.11Å; E742-V746 HydrophobicContact CB-CG2 3.81Å; E742-V746 HydrophobicContact CG-CG2 3.91Å; E742-T760 VanDerWaalsContact OE1-CB 3.27Å; E742-T760 WeakPolarHBondContact OE1-CB 3.46Å; E742-T760 PolarHBondContact OE1-OG1 2.64Å; E742-T768 PolarHBondContact OE2-OG1 3.48Å; E742-Y770 WeakPolarHBondContact CG-OH 3.45Å
743	S	94.6	Very high	96.4	Very high	79 Å²	79	31.6 Å²	31.6	55%	0.552	17%	0.171	S	C	*	.	S	Bend	trans	-78.3	-12.4	-179.4	45.3	0	0	0	0	114.1	N724 D764 K766	N724-S743 PolarHBondContact ND2-O 3.48Å; S743-D764 WeakPolarHBondContact CB-OD2 3.41Å; S743-D764 PolarHBondContact OG-OD2 3.46Å; S743-K766 PolarHBondContact OG-NZ 3.24Å
744	S	96.9	Very high	96.4	Very high	26 Å²	26	33.2 Å²	33.2	18%	0.182	18%	0.181	C	C	.	.	S	Bend	trans	-157.9	167.3	-178.4	-173.6	0	0	0	0	111.1	N724 E742 D764	N724-S744 WeakPolarHBondContact CB-O 3.39Å; N724-S744 VanDerWaalsContact CG-CA 3.42Å; N724-S744 WeakPolarHBondContact ND2-CA 3.32Å; N724-S744 PolarHBondContact ND2-N 2.95Å; N724-S744 WeakPolarHBondContact OD1-CA 2.82Å; E742-S744 VanDerWaalsContact C-N 3.3Å; E742-S744 PolarHBondContact O-N 3.11Å; S744-D764 WeakPolarHBondContact CB-OD1 3.38Å; S744-D764 PolarHBondContact OG-OD1 3.12Å
745	S	96.9	Very high	96.4	Very high	28 Å²	28	33.7 Å²	33.7	20%	0.196	18%	0.184	C	C	.	.			trans	-50.4	136.1	-171	-57	0	0	0	0	112.4	K722 N724 S762 G763	K722-S745 WeakPolarHBondContact O-CB 3.37Å; K722-S745 PolarHBondContact O-OG 3.03Å; N724-S745 WeakPolarHBondContact OD1-CA 3.43Å; N724-S745 PolarHBondContact OD1-N 3.1Å; S745-S762 CarbonylContact O-C 3.58Å; S745-S762 WeakPolarHBondContact O-CA 3.48Å; S745-G763 PolarHBondContact O-N 3.44Å
746	V	97.8	Very high	96.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	105.6	-175.4	-172.5	0	0	0	0	109.3	T720 G721 E742 T760 G761	T720-V746 WeakPolarHBondContact CB-O 3.35Å; T720-V746 HydrophobicContact CG2-CB 4.41Å; T720-V746 HydrophobicContact CG2-CG1 3.66Å; T720-V746 PolarHBondContact OG1-O 3.41Å; G721-V746 PolarHBondContact O-N 3.43Å; E742-V746 HydrophobicContact CB-CG2 3.81Å; E742-V746 HydrophobicContact CG-CG2 3.91Å; V746-T760 HydrophobicContact CG1-CG2 3.87Å; V746-G761 CarbonylContact C-O 3.58Å
747	L	97.6	Very high	96.4	Very high	44 Å²	44	40.3 Å²	40.3	23%	0.23	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-32.9	-161.9	-53.8	176.7	0	0	0	113.5	V490 L706 G761	V490-L747 HydrophobicContact CG1-CD1 3.18Å; L706-L747 HydrophobicContact CD1-CD2 3.55Å; L747-G761 PolarHBondContact N-O 3.39Å
748	S	97.7	Very high	96.5	Very high	8 Å²	8	39.1 Å²	39.1	6%	0.056	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	152.3	-175.4	56.6	0	0	0	0	110.9	V491 C492 T760 G761	V491-S748 PolarHBondContact O-OG 3.25Å; C492-S748 WeakPolarHBondContact O-CB 3.46Å; S748-T760 CarbonylContact O-C 3.57Å; S748-T760 WeakPolarHBondContact O-CA 3.42Å; S748-G761 PolarHBondContact N-O 2.89Å; S748-G761 PolarHBondContact O-N 2.87Å
749	C	97.8	Very high	96.6	Very high	8 Å²	8	38.1 Å²	38.1	5%	0.054	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	155.8	172.1	64.9	0	0	0	0	112.5	S707 V718 T720 V759	S707-C749 PolarHBondContact OG-N 2.88Å; S707-C749 VanDerWaalsContact OG-N 3.16Å; S707-C749 PolarHBondContact OG-SG 3.19Å; V718-C749 HydrophobicContact CG2-CB 4.3Å; T720-C749 HydrophobicContact CG2-CB 3.75Å; C749-V759 CarbonylContact C-O 3.53Å; C749-V759 WeakPolarHBondContact CA-O 3.37Å
750	D	98.1	Very high	96.7	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	156	165.1	-157.1	13.6	0	0	0	110.7	V494 T495 I496 R709 I758 V759	V494-D750 HydrophobicContact CG2-CB 4.17Å; T495-D750 WeakPolarHBondContact CA-OD2 3.29Å; T495-D750 WeakPolarHBondContact CB-OD2 3.43Å; T495-D750 PolarHBondContact OG1-OD2 3.29Å; I496-D750 PolarHBondContact N-OD2 2.88Å; R709-D750 IonicContact CZ-OD1 3.47Å; R709-D750 IonicContact NE-OD1 3.96Å; R709-D750 IonicContact NH1-OD1 3.7Å; R709-D750 PolarHBondContact NH1-OD1 2.99Å; D750-I758 WeakPolarHBondContact O-CA 3.49Å; D750-V759 PolarHBondContact N-O 3.08Å; D750-V759 PolarHBondContact O-N 3.43Å
751	I	97.7	Very high	96.8	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.015	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140.7	179.2	-59.6	-179.8	0	0	0	108.2	R709 A711 H712 W716 V718 Y757 I758	R709-I751 HydrophobicContact CB-CD1 4.27Å; R709-I751 HydrophobicContact CB-CG1 4.28Å; R709-I751 HydrophobicContact CG-CB 4.06Å; R709-I751 HydrophobicContact CG-CD1 3.91Å; R709-I751 HydrophobicContact CG-CG1 3.7Å; A711-I751 HydrophobicContact CB-CD1 4.39Å; H712-I751 PolarHBondContact CE1-O 2.89Å; W716-I751 HydrophobicContact CH2-CD1 4.14Å; W716-I751 HydrophobicContact CZ3-CD1 4.18Å; V718-I751 HydrophobicContact CG1-CD1 4.26Å; V718-I751 HydrophobicContact CG2-CD1 4.1Å; I751-Y757 WeakPolarHBondContact CA-O 3.21Å; I751-I758 HydrophobicContact CG1-CG1 4.27Å
752	S	96	Very high	96.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.137	C	C	.	.			trans	-68.6	152.3	176.7	65.8	0	0	0	0	112.5	H712 D754 D755 K756 Y757	H712-S752 PolarHBondContact CE1-O 3.35Å; H712-S752 PolarHBondContact ND1-O 3.44Å; S752-D754 WeakPolarHBondContact CB-OD1 3.39Å; S752-D754 PolarHBondContact O-N 3.22Å; S752-D754 PolarHBondContact OG-OD1 3.28Å; S752-D755 WeakPolarHBondContact O-CA 3.48Å; S752-D755 PolarHBondContact O-N 3.4Å; S752-K756 PolarHBondContact OG-N 3.39Å; S752-Y757 PolarHBondContact N-O 3.42Å; S752-Y757 PolarHBondContact OG-N 3.41Å
753	I	94	Very high	96.8	Very high	88 Å²	88	26 Å²	26	45%	0.451	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-23	-178.9	-163.5	62.4	0	0	0	113.8	N498	N498-I753 HydrophobicContact CB-CG2 4.34Å
754	D	94.3	Very high	96.8	Very high	56 Å²	56	25.4 Å²	25.4	30%	0.299	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	9.9	178.6	69.6	-27.7	0	0	0	113.4	T500 S752 K756	T500-D754 PolarHBondContact OG1-OD1 3.04Å; S752-D754 WeakPolarHBondContact CB-OD1 3.39Å; S752-D754 PolarHBondContact O-N 3.22Å; S752-D754 PolarHBondContact OG-OD1 3.28Å; D754-K756 HydrophobicContact CB-CG 4.48Å; D754-K756 WeakPolarHBondContact O-CG 3.23Å; D754-K756 PolarHBondContact O-N 2.94Å; D754-K756 WeakPolarHBondContact OD2-CG 3.45Å; D754-K756 IonicContact OD2-NZ 3.74Å; D754-K756 PolarHBondContact OD2-NZ 3.34Å
755	D	96.4	Very high	96.8	Very high	11 Å²	11	28.2 Å²	28.2	6%	0.059	15%	0.146	C	C	.	.	S	Bend	trans	52.2	20.6	-179.6	-61.9	-23.4	0	0	0	115	A711 H712 C713 W716 S752 Y774	A711-D755 HydrophobicContact CB-CB 4.46Å; H712-D755 WeakPolarHBondContact CB-OD1 3.25Å; H712-D755 IonicContact CE1-OD1 3.13Å; H712-D755 IonicContact CG-OD1 2.75Å; H712-D755 VanDerWaalsContact N-CG 3.29Å; H712-D755 PolarHBondContact N-OD1 3.48Å; H712-D755 PolarHBondContact N-OD2 3.4Å; H712-D755 IonicContact ND1-OD1 3.63Å; H712-D755 PolarHBondContact ND1-OD1 3.11Å; C713-D755 WeakPolarHBondContact CB-OD2 3.14Å; C713-D755 PolarHBondContact N-OD2 3.32Å; C713-D755 PolarHBondContact SG-OD2 3.06Å; W716-D755 HydrophobicContact CZ2-CB 4.3Å; S752-D755 WeakPolarHBondContact O-CA 3.48Å; S752-D755 PolarHBondContact O-N 3.4Å; D755-Y774 WeakPolarHBondContact CB-OH 3.35Å; D755-Y774 WeakPolarHBondContact O-CE2 3.45Å; D755-Y774 PolarHBondContact O-OH 2.93Å
756	K	95.4	Very high	96.8	Very high	106 Å²	106	28.6 Å²	28.6	46%	0.461	14%	0.144	S	C	.	.			trans	-90.2	-18.4	179.5	-65.9	-157.7	-158.4	85.7	0	114.6	S752 D754 V772	S752-K756 PolarHBondContact OG-N 3.39Å; D754-K756 HydrophobicContact CB-CG 4.48Å; D754-K756 WeakPolarHBondContact O-CG 3.23Å; D754-K756 PolarHBondContact O-N 2.94Å; D754-K756 WeakPolarHBondContact OD2-CG 3.45Å; D754-K756 IonicContact OD2-NZ 3.74Å; D754-K756 PolarHBondContact OD2-NZ 3.34Å; K756-V772 PolarHBondContact O-N 3.31Å
757	Y	96.9	Very high	96.8	Very high	60 Å²	60	28.6 Å²	28.6	24%	0.235	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	140.2	-177	-59.9	-89	0	0	0	111.7	I482 T500 I751 S752 V769 Y770 E771	I482-Y757 HydrophobicContact CD1-CD1 4.04Å; I482-Y757 HydrophobicContact CD1-CE1 3.71Å; T500-Y757 HydrophobicContact CG2-CD2 3.64Å; T500-Y757 HydrophobicContact CG2-CE2 4.13Å; T500-Y757 HydrophobicContact CG2-CG 4.31Å; I751-Y757 WeakPolarHBondContact CA-O 3.21Å; S752-Y757 PolarHBondContact N-O 3.42Å; S752-Y757 PolarHBondContact OG-N 3.41Å; Y757-V769 HydrophobicContact CD1-CG1 4.39Å; Y757-Y770 VanDerWaalsContact CA-O 3.25Å; Y757-Y770 WeakPolarHBondContact CA-O 3.35Å; Y757-E771 HydrophobicContact CE1-CB 4.41Å; Y757-E771 HydrophobicContact CE1-CG 4.42Å
758	I	98.1	Very high	96.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	132.4	168.7	-56.8	159	0	0	0	106.9	W716 V718 L726 F738 D750 I751 T760 Y770 V772	W716-I758 HydrophobicContact CH2-CD1 3.94Å; W716-I758 HydrophobicContact CH2-CG1 4.16Å; W716-I758 HydrophobicContact CZ3-CD1 4.03Å; V718-I758 HydrophobicContact CG1-CD1 4.14Å; L726-I758 HydrophobicContact CD2-CG2 4.43Å; F738-I758 HydrophobicContact CZ-CD1 3.77Å; D750-I758 WeakPolarHBondContact O-CA 3.49Å; I751-I758 HydrophobicContact CG1-CG1 4.27Å; I758-T760 HydrophobicContact CG2-CG2 4.34Å; I758-Y770 PolarHBondContact N-O 3.36Å; I758-Y770 PolarHBondContact O-N 3.41Å; I758-V772 HydrophobicContact CD1-CG2 3.72Å; I758-V772 HydrophobicContact CG1-CG2 3.69Å
759	V	97.9	Very high	96.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	135.6	169.3	-174.2	0	0	0	0	108.2	V494 I496 V503 C749 D750 A767 T768 V769	V494-V759 HydrophobicContact CB-CG1 3.93Å; V494-V759 HydrophobicContact CG1-CG1 3.94Å; V494-V759 HydrophobicContact CG2-CB 4.44Å; V494-V759 HydrophobicContact CG2-CG1 4.24Å; I496-V759 HydrophobicContact CB-CG2 4.36Å; I496-V759 HydrophobicContact CD1-CG2 3.85Å; V503-V759 HydrophobicContact CG1-CG1 3.75Å; V503-V759 HydrophobicContact CG1-CG2 4.18Å; V503-V759 HydrophobicContact CG2-CG2 3.89Å; C749-V759 CarbonylContact C-O 3.53Å; C749-V759 WeakPolarHBondContact CA-O 3.37Å; D750-V759 PolarHBondContact N-O 3.08Å; D750-V759 PolarHBondContact O-N 3.43Å; V759-A767 HydrophobicContact CG1-CB 4.44Å; V759-T768 WeakPolarHBondContact CA-O 3.41Å; V759-V769 HydrophobicContact CG2-CG2 4.45Å
760	T	98.3	Very high	96.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	144.7	172	55.7	0	0	0	0	111.1	T720 L726 E742 V746 S748 I758 A767 T768 Y770	T720-T760 HydrophobicContact CG2-CG2 4.45Å; L726-T760 HydrophobicContact CD1-CG2 4.13Å; L726-T760 HydrophobicContact CD2-CG2 4.05Å; E742-T760 VanDerWaalsContact OE1-CB 3.27Å; E742-T760 WeakPolarHBondContact OE1-CB 3.46Å; E742-T760 PolarHBondContact OE1-OG1 2.64Å; V746-T760 HydrophobicContact CG1-CG2 3.87Å; S748-T760 CarbonylContact O-C 3.57Å; S748-T760 WeakPolarHBondContact O-CA 3.42Å; I758-T760 HydrophobicContact CG2-CG2 4.34Å; T760-A767 CarbonylContact O-C 3.6Å; T760-A767 WeakPolarHBondContact O-CA 3.36Å; T760-A767 WeakPolarHBondContact O-CB 3.37Å; T760-T768 PolarHBondContact N-O 3.23Å; T760-T768 PolarHBondContact O-N 2.9Å; T760-T768 WeakPolarHBondContact OG1-CB 3.29Å; T760-T768 PolarHBondContact OG1-O 3.03Å; T760-Y770 HydrophobicContact CG2-CE2 4.18Å
761	G	97.9	Very high	96.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130	169.3	0	0	0	0	0	110.8	V491 V746 L747 S748	V491-G761 CarbonylContact O-C 3.51Å; V491-G761 WeakPolarHBondContact O-CA 3.45Å; V746-G761 CarbonylContact C-O 3.58Å; L747-G761 PolarHBondContact N-O 3.39Å; S748-G761 PolarHBondContact N-O 2.89Å; S748-G761 PolarHBondContact O-N 2.87Å
762	S	97	Very high	96.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	151.6	-171.6	-178	0	0	0	0	113.2	V491 S745 D764 K765 K766	V491-S762 PolarHBondContact N-O 2.96Å; S745-S762 CarbonylContact O-C 3.58Å; S745-S762 WeakPolarHBondContact O-CA 3.48Å; S762-D764 PolarHBondContact O-N 3.29Å; S762-D764 PolarHBondContact OG-N 3.4Å; S762-K765 PolarHBondContact O-N 3.29Å; S762-K766 PolarHBondContact N-O 3.17Å
763	G	95.6	Very high	96.5	Very high	24 Å²	24	30.2 Å²	30.2	25%	0.247	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-25.6	167.3	0	0	0	0	0	113.8	S745 K765	S745-G763 PolarHBondContact O-N 3.44Å; G763-K765 PolarHBondContact O-N 3.05Å
764	D	95.5	Very high	96.5	Very high	68 Å²	68	30.5 Å²	30.5	36%	0.364	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	25.8	174.2	-84.4	-8.5	0	0	0	114.4	S743 S744 S762 K766	S743-D764 WeakPolarHBondContact CB-OD2 3.41Å; S743-D764 PolarHBondContact OG-OD2 3.46Å; S744-D764 WeakPolarHBondContact CB-OD1 3.38Å; S744-D764 PolarHBondContact OG-OD1 3.12Å; S762-D764 PolarHBondContact O-N 3.29Å; S762-D764 PolarHBondContact OG-N 3.4Å; D764-K766 HydrophobicContact CB-CD 3.79Å; D764-K766 HydrophobicContact CB-CG 4.04Å; D764-K766 PolarHBondContact O-N 2.98Å; D764-K766 VanDerWaalsContact O-N 3.1Å; D764-K766 IonicContact OD2-NZ 2.63Å; D764-K766 PolarHBondContact OD2-NZ 3.35Å
765	K	96.5	Very high	96.6	Very high	85 Å²	85	29.2 Å²	29.2	37%	0.37	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	31.7	174.7	-64.6	171.2	154.7	-104.1	0	113.6	H487 G488 E489 V490 S762 G763	H487-K765 PolarHBondContact N-O 3.27Å; G488-K765 PolarHBondContact N-O 3.48Å; G488-K765 WeakPolarHBondContact O-CD 3.39Å; G488-K765 PolarHBondContact O-NZ 2.83Å; E489-K765 CarbonylContact O-C 3.56Å; E489-K765 VanDerWaalsContact O-CA 3.24Å; E489-K765 WeakPolarHBondContact O-CA 3.38Å; E489-K765 IonicContact OE1-NZ 2.87Å; E489-K765 PolarHBondContact OE1-NZ 2.83Å; E489-K765 IonicContact OE2-NZ 2.68Å; E489-K765 PolarHBondContact OE2-NZ 2.88Å; V490-K765 HydrophobicContact CG2-CG 4.12Å; S762-K765 PolarHBondContact O-N 3.29Å; G763-K765 PolarHBondContact O-N 3.05Å
766	K	96.1	Very high	96.6	Very high	35 Å²	35	30.2 Å²	30.2	15%	0.152	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	161.9	-173.5	72.9	-169	-175.7	-154.9	0	111.2	T484 L485 V491 S743 S762 D764	T484-K766 HydrophobicContact CG2-CB 4.38Å; T484-K766 HydrophobicContact CG2-CD 4.06Å; L485-K766 CarbonylContact O-C 3.53Å; L485-K766 VanDerWaalsContact O-CA 3.3Å; L485-K766 WeakPolarHBondContact O-CA 3.3Å; V491-K766 WeakPolarHBondContact CG2-O 3.4Å; S743-K766 PolarHBondContact OG-NZ 3.24Å; S762-K766 PolarHBondContact N-O 3.17Å; D764-K766 HydrophobicContact CB-CD 3.79Å; D764-K766 HydrophobicContact CB-CG 4.04Å; D764-K766 PolarHBondContact O-N 2.98Å; D764-K766 VanDerWaalsContact O-N 3.1Å; D764-K766 IonicContact OD2-NZ 2.63Å; D764-K766 PolarHBondContact OD2-NZ 3.35Å
767	A	97.1	Very high	96.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	147.3	160.9	0	0	0	0	0	110.6	L485 V491 V494 T505 V759 T760	L485-A767 HydrophobicContact CB-CB 4.21Å; L485-A767 HydrophobicContact CD1-CB 4.39Å; L485-A767 PolarHBondContact N-O 2.7Å; L485-A767 PolarHBondContact O-N 3.48Å; V491-A767 HydrophobicContact CG1-CB 4.37Å; V494-A767 HydrophobicContact CG1-CB 4.29Å; T505-A767 HydrophobicContact CG2-CB 3.57Å; V759-A767 HydrophobicContact CG1-CB 4.44Å; T760-A767 CarbonylContact O-C 3.6Å; T760-A767 WeakPolarHBondContact O-CA 3.36Å; T760-A767 WeakPolarHBondContact O-CB 3.37Å
768	T	96.6	Very high	96.7	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	135.3	178.5	-53.3	0	0	0	0	108.9	Q481 E742 V759 T760 Y770	Q481-T768 HydrophobicContact CB-CG2 4.48Å; Q481-T768 HydrophobicContact CG-CG2 3.65Å; E742-T768 PolarHBondContact OE2-OG1 3.48Å; V759-T768 WeakPolarHBondContact CA-O 3.41Å; T760-T768 PolarHBondContact N-O 3.23Å; T760-T768 PolarHBondContact O-N 2.9Å; T760-T768 WeakPolarHBondContact OG1-CB 3.29Å; T760-T768 PolarHBondContact OG1-O 3.03Å; T768-Y770 HydrophobicContact CG2-CD2 4.06Å; T768-Y770 HydrophobicContact CG2-CE1 4.37Å; T768-Y770 HydrophobicContact CG2-CE2 3.48Å; T768-Y770 VanDerWaalsContact CG2-CE2 3.48Å
769	V	96.5	Very high	96.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123.3	176	-172.6	0	0	0	0	108.9	I482 N483 L485 V503 I516 Y757 V759	I482-V769 HydrophobicContact CD1-CG1 4.14Å; I482-V769 HydrophobicContact CG1-CB 4.33Å; I482-V769 HydrophobicContact CG1-CG1 4.11Å; I482-V769 WeakPolarHBondContact CG1-O 3.46Å; I482-V769 PolarHBondContact N-O 2.85Å; N483-V769 HydrophobicContact CB-CB 4.1Å; N483-V769 HydrophobicContact CB-CG2 4.21Å; N483-V769 PolarHBondContact N-O 3.44Å; N483-V769 PolarHBondContact O-N 2.98Å; L485-V769 HydrophobicContact CD1-CG2 3.74Å; L485-V769 HydrophobicContact CG-CG2 4.1Å; V503-V769 HydrophobicContact CG2-CG2 4.46Å; I516-V769 HydrophobicContact CG2-CG2 4.3Å; Y757-V769 HydrophobicContact CD1-CG1 4.39Å; V759-V769 HydrophobicContact CG2-CG2 4.45Å
770	Y	96.9	Very high	96.5	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.016	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	141	176	-59.4	-98.4	0	0	0	110.6	A479 R480 Q481 L726 S740 E742 Y757 I758 T760 T768	A479-Y770 HydrophobicContact CB-CD1 4.08Å; A479-Y770 HydrophobicContact CB-CG 4.39Å; R480-Y770 CarbonylContact O-C 3.5Å; R480-Y770 VanDerWaalsContact O-CA 3.28Å; R480-Y770 WeakPolarHBondContact O-CA 3.38Å; Q481-Y770 HydrophobicContact CB-CD1 4.05Å; Q481-Y770 HydrophobicContact CB-CE1 4.02Å; L726-Y770 HydrophobicContact CD2-CD2 4.18Å; L726-Y770 HydrophobicContact CD2-CE2 3.88Å; S740-Y770 WeakPolarHBondContact OG-CE1 3.35Å; S740-Y770 PolarHBondContact OG-OH 2.92Å; E742-Y770 WeakPolarHBondContact CG-OH 3.45Å; Y757-Y770 VanDerWaalsContact CA-O 3.25Å; Y757-Y770 WeakPolarHBondContact CA-O 3.35Å; I758-Y770 PolarHBondContact N-O 3.36Å; I758-Y770 PolarHBondContact O-N 3.41Å; T760-Y770 HydrophobicContact CG2-CE2 4.18Å; T768-Y770 HydrophobicContact CG2-CD2 4.06Å; T768-Y770 HydrophobicContact CG2-CE1 4.37Å; T768-Y770 HydrophobicContact CG2-CE2 3.48Å; T768-Y770 VanDerWaalsContact CG2-CE2 3.48Å
771	E	96.5	Very high	96.4	Very high	48 Å²	48	29.1 Å²	29.1	22%	0.224	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	130.4	166	-176.3	-173.9	-158.8	0	0	109	A479 R480 I482 Y757 I773	A479-E771 CarbonylContact C-O 3.54Å; A479-E771 WeakPolarHBondContact CA-O 3.34Å; R480-E771 IonicContact CZ-OE2 2.71Å; R480-E771 PolarHBondContact N-O 3.22Å; R480-E771 IonicContact NE-OE2 3.17Å; R480-E771 PolarHBondContact NE-OE2 2.67Å; R480-E771 IonicContact NH2-OE1 3.8Å; R480-E771 IonicContact NH2-OE2 3.37Å; R480-E771 PolarHBondContact NH2-OE2 2.93Å; R480-E771 PolarHBondContact O-N 3.46Å; I482-E771 HydrophobicContact CD1-CB 4.3Å; I482-E771 HydrophobicContact CG1-CB 4.48Å; I482-E771 HydrophobicContact CG2-CB 3.93Å; Y757-E771 HydrophobicContact CE1-CB 4.41Å; Y757-E771 HydrophobicContact CE1-CG 4.42Å; E771-I773 HydrophobicContact CG-CD1 3.87Å
772	V	96.9	Very high	96.2	Very high	8 Å²	8	31.3 Å²	31.3	5%	0.048	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	114.1	-177	-174.3	0	0	0	0	108.9	P476 W716 K756 I758 Y774	P476-V772 HydrophobicContact CB-CG1 3.65Å; P476-V772 HydrophobicContact CG-CG1 3.53Å; W716-V772 HydrophobicContact CH2-CG1 4.19Å; W716-V772 HydrophobicContact CH2-CG2 4.16Å; W716-V772 HydrophobicContact CZ2-CG1 4.1Å; K756-V772 PolarHBondContact O-N 3.31Å; I758-V772 HydrophobicContact CD1-CG2 3.72Å; I758-V772 HydrophobicContact CG1-CG2 3.69Å; V772-Y774 HydrophobicContact CB-CE2 4.08Å; V772-Y774 HydrophobicContact CG1-CD2 4.31Å; V772-Y774 HydrophobicContact CG1-CE1 4.34Å; V772-Y774 HydrophobicContact CG1-CE2 3.65Å
773	I	96	Very high	96.2	Very high	40 Å²	40	33.9 Å²	33.9	21%	0.205	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	110	-177.5	-50.8	-57.8	0	0	0	109.3	R477 H478 R480 E771	R477-I773 PolarHBondContact N-O 3.02Å; H478-I773 PolarHBondContact N-O 3.06Å; H478-I773 PolarHBondContact O-N 2.88Å; R480-I773 HydrophobicContact CB-CG1 4.36Å; E771-I773 HydrophobicContact CG-CD1 3.87Å
774	Y	94.1	Very high	96.2	Very high	94 Å²	94	34.8 Å²	34.8	37%	0.369	16%	0.159	S	C	.	.			trans	-85.3	0	172.9	-64.7	-82.7	0	0	0	112	P476 R477 W716 D755 V772	P476-Y774 HydrophobicContact CG-CD1 4.47Å; P476-Y774 HydrophobicContact CG-CE1 3.83Å; R477-Y774 VanDerWaalsContact NE-C 3.31Å; R477-Y774 PolarHBondContact NE-O 3.23Å; R477-Y774 PolarHBondContact NE-OXT 3.06Å; R477-Y774 PolarHBondContact NH2-O 2.92Å; R477-Y774 PolarHBondContact NH2-OXT 2.85Å; W716-Y774 VanDerWaalsContact CZ2-OH 3.29Å; W716-Y774 WeakPolarHBondContact CZ2-OH 3.38Å; W716-Y774 PolarHBondContact NE1-OH 2.84Å; D755-Y774 WeakPolarHBondContact CB-OH 3.35Å; D755-Y774 WeakPolarHBondContact O-CE2 3.45Å; D755-Y774 PolarHBondContact O-OH 2.93Å; V772-Y774 HydrophobicContact CB-CE2 4.08Å; V772-Y774 HydrophobicContact CG1-CD2 4.31Å; V772-Y774 HydrophobicContact CG1-CE1 4.34Å; V772-Y774 HydrophobicContact CG1-CE2 3.65Å

Retrieved 774 of 774 residues in 840.2 ms (Link to these results)

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