A0A087XA88_POEFO Loading...

Sema domain, immunoglobulin domain (Ig), short basic domain, secreted, (semaphorin) 3B

AlphaFold DB , UniProt , Accession A0A087XA88, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 781 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	K	32.7	Very low	36.1	Very low	276 Å²	276	134.8 Å²	134.8	100%	1.2	81%	0.813	S	S	*	*				0	118.8	0	-55.6	175.4	-178.1	178.8	0	106.6
2	G	36.3	Very low	35.8	Very low	71 Å²	71	134.9 Å²	134.9	73%	0.732	81%	0.805	S	S	*	*			cis	177.7	160.3	-5.6	0	0	0	0	0	108.8
3	A	31.1	Very low	35.5	Very low	108 Å²	108	128.4 Å²	128.4	89%	0.893	78%	0.783	S	S	*	*			trans	58.7	76.8	176.6	0	0	0	0	0	117.1
4	I	38.3	Very low	35.1	Very low	159 Å²	159	129.2 Å²	129.2	82%	0.815	78%	0.776	S	S	*	*			trans	-121.6	162.4	146.7	-59.5	-179.5	0	0	0	106.2
5	T	42.5	Very low	34.8	Very low	133 Å²	133	126.4 Å²	126.4	82%	0.816	77%	0.772	S	S	*	*	S	Bend	trans	66.7	72	-178.9	73.2	0	0	0	0	117.1
6	C	36.3	Very low	34.6	Very low	120 Å²	120	123.6 Å²	123.6	81%	0.811	77%	0.766	S	S	*	*			trans	-151.3	33.1	155.6	-154.7	0	0	0	0	114.8
7	S	36	Very low	34.2	Very low	99 Å²	99	120.6 Å²	120.6	69%	0.692	76%	0.757	S	S	*	*	S	Bend	trans	-125.7	-9.9	-174.4	-49.5	0	0	0	0	115.2
8	S	36.4	Very low	33.8	Very low	105 Å²	105	124.6 Å²	124.6	73%	0.734	76%	0.756	S	S	*	*	S	Bend	trans	-94.2	-10.2	-173.7	-42.5	0	0	0	0	114.8
9	L	36.5	Very low	33.4	Very low	158 Å²	158	123.7 Å²	123.7	83%	0.827	76%	0.756	S	S	*	*	S	Bend	trans	-98.4	-17.5	-175.1	-90.1	162	0	0	0	114.5
10	L	34.6	Very low	33	Very low	136 Å²	136	121.7 Å²	121.7	71%	0.712	75%	0.748	S	S	*	*	H	α-helix	trans	-83.7	-18.5	-176.4	-102.7	158.3	0	0	0	114.4
11	V	36.1	Very low	32.8	Very low	118 Å²	118	121.2 Å²	121.2	72%	0.715	75%	0.75	S	S	*	*	H	α-helix	trans	-83.2	-31.8	180	-176.8	0	0	0	0	112.1
12	L	33.2	Very low	32.4	Very low	136 Å²	136	113 Å²	113	71%	0.712	73%	0.726	S	S	*	*	H	α-helix	trans	-79	-23.7	175.7	-85.7	149.8	0	0	0	113.2
13	G	31.9	Very low	32.1	Very low	50 Å²	50	114.4 Å²	114.4	52%	0.515	73%	0.725	S	S	.	*	H	α-helix	trans	-70.4	-31.4	177.7	0	0	0	0	0	114.6
14	M	29.8	Very low	32.1	Very low	140 Å²	140	114.2 Å²	114.2	69%	0.69	71%	0.713	S	S	*	*	H	α-helix	trans	-79.5	-25.1	-179.2	-75.1	-71.7	-147.7	0	0	113.6	A16	M14-A16 VanDerWaalsContact C-N 3.3Å; M14-A16 PolarHBondContact O-N 3.43Å
15	A	30.2	Very low	31.9	Very low	87 Å²	87	112 Å²	112	72%	0.719	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-15.8	-178.6	0	0	0	0	0	113.8
16	A	31	Very low	31.9	Very low	82 Å²	82	117 Å²	117	68%	0.678	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	-3	-175.6	0	0	0	0	0	114.5	M14	M14-A16 VanDerWaalsContact C-N 3.3Å; M14-A16 PolarHBondContact O-N 3.43Å
17	A	28.3	Very low	32.9	Very low	73 Å²	73	113.1 Å²	113.1	60%	0.603	69%	0.687	S	S	*	*	S	Bend	trans	-103.7	-8.1	-174.1	0	0	0	0	0	114.7
18	Y	26.9	Very low	34.6	Very low	191 Å²	191	110.5 Å²	110.5	75%	0.749	67%	0.669	S	S	*	*			trans	-100.5	35.3	179.3	-85.9	-79.9	0	0	0	113.9	S20	Y18-S20 PolarHBondContact O-N 2.9Å; Y18-S20 VanDerWaalsContact O-N 3.11Å
19	S	26.7	Very low	36.9	Very low	108 Å²	108	108 Å²	108	76%	0.755	65%	0.651	S	S	*	*			trans	-79	41.8	155.1	69.1	0	0	0	0	111.1	S21	S19-S21 PolarHBondContact O-N 2.65Å; S19-S21 VanDerWaalsContact O-N 3.13Å
20	S	25.6	Very low	39.5	Very low	84 Å²	84	101.2 Å²	101.2	59%	0.587	62%	0.617	S	S	*	*			trans	-59.8	115.9	169.1	52.8	0	0	0	0	107.4	Y18 S22	Y18-S20 PolarHBondContact O-N 2.9Å; Y18-S20 VanDerWaalsContact O-N 3.11Å; S20-S22 PolarHBondContact O-N 3.06Å
21	S	28	Very low	42.2	Very low	112 Å²	112	95.4 Å²	95.4	78%	0.783	59%	0.586	S	S	*	*			trans	-64	95.5	-177.1	55.9	0	0	0	0	109.9	S19 S23	S19-S21 PolarHBondContact O-N 2.65Å; S19-S21 VanDerWaalsContact O-N 3.13Å; S21-S23 VanDerWaalsContact C-N 3.25Å; S21-S23 PolarHBondContact O-N 3.17Å
22	S	25.3	Very low	44.7	Very low	102 Å²	102	90.1 Å²	90.1	71%	0.713	55%	0.553	S	S	*	*			trans	-64.2	94.6	165	45.6	0	0	0	0	107	S20 V24	S20-S22 PolarHBondContact O-N 3.06Å; S22-V24 PolarHBondContact O-N 3.06Å
23	S	29.9	Very low	47.4	Very low	102 Å²	102	88.9 Å²	88.9	71%	0.713	54%	0.542	S	S	*	.			trans	-71.1	64.7	170.6	61.5	0	0	0	0	109.1	S21 T25	S21-S23 VanDerWaalsContact C-N 3.25Å; S21-S23 PolarHBondContact O-N 3.17Å; S23-T25 VanDerWaalsContact C-N 3.28Å; S23-T25 PolarHBondContact O-N 3.22Å
24	V	29.7	Very low	50	Low	103 Å²	103	86.9 Å²	86.9	62%	0.624	52%	0.52	S	S	*	.			trans	-52.4	105	152.9	179.1	0	0	0	0	104.2	S22 R26	S22-V24 PolarHBondContact O-N 3.06Å; V24-R26 VanDerWaalsContact C-N 3.25Å; V24-R26 PolarHBondContact O-N 2.97Å
25	T	35.9	Very low	52.4	Low	114 Å²	114	81.9 Å²	81.9	70%	0.699	50%	0.499	S	S	*	.			trans	-63.3	92.9	-178.5	42.5	0	0	0	0	107.4	S23 A27	S23-T25 VanDerWaalsContact C-N 3.28Å; S23-T25 PolarHBondContact O-N 3.22Å; T25-A27 PolarHBondContact O-N 2.89Å
26	R	42.3	Very low	54.4	Low	236 Å²	236	79.7 Å²	79.7	89%	0.891	47%	0.472	S	S	*	.			trans	-60.4	100.9	-176.8	-172.7	178.1	-173	177.2	2	106.8	V24 S28	V24-R26 VanDerWaalsContact C-N 3.25Å; V24-R26 PolarHBondContact O-N 2.97Å; R26-S28 PolarHBondContact O-N 3.2Å; R26-S28 VanDerWaalsContact O-N 3.14Å
27	A	57.1	Low	55.8	Low	39 Å²	39	84.9 Å²	84.9	32%	0.322	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-47.9	121.9	-170.6	0	0	0	0	0	109.5	T25 S29	T25-A27 PolarHBondContact O-N 2.89Å; A27-S29 PolarHBondContact O-N 3.09Å; A27-S29 VanDerWaalsContact O-N 3.14Å
28	S	71	Confident	57	Low	44 Å²	44	87 Å²	87	31%	0.308	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-57.6	123.9	-170.3	42.9	0	0	0	0	109.8	R26 R430	R26-S28 PolarHBondContact O-N 3.2Å; R26-S28 VanDerWaalsContact O-N 3.14Å; S28-R430 PolarHBondContact O-NH2 3.2Å; S28-R430 PolarHBondContact OG-NH2 3.38Å
29	S	84.4	Confident	58.2	Low	52 Å²	52	81 Å²	81	36%	0.364	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-57.7	141.9	177	44.4	0	0	0	0	108.8	A27 R31 L609 Q610	A27-S29 PolarHBondContact O-N 3.09Å; A27-S29 VanDerWaalsContact O-N 3.14Å; S29-R31 PolarHBondContact O-N 3.07Å; S29-L609 PolarHBondContact OG-O 3.29Å; S29-L609 VanDerWaalsContact OG-O 3.05Å; S29-Q610 PolarHBondContact O-NE2 3.23Å
30	P	91	Very high	59.4	Low	17 Å²	17	76.9 Å²	76.9	11%	0.11	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-58.5	134	171.9	25.1	-33.1	0	0	0	108.9	M32 K33 L482 E485 L609	P30-M32 VanDerWaalsContact C-N 3.26Å; P30-M32 PolarHBondContact O-N 2.99Å; P30-K33 HydrophobicContact CG-CB 4.27Å; P30-L482 HydrophobicContact CB-CD2 3.69Å; P30-L482 HydrophobicContact CB-CG 3.78Å; P30-L482 HydrophobicContact CG-CD2 4.33Å; P30-E485 HydrophobicContact CB-CB 3.61Å; P30-E485 HydrophobicContact CG-CB 3.79Å; P30-L609 WeakPolarHBondContact O-CB 3.37Å
31	R	91.6	Very high	60.3	Low	13 Å²	13	82.5 Å²	82.5	5%	0.049	45%	0.45	C	S	.	.	S	Bend	trans	-56.7	-45.7	-179.9	-166.7	-172.4	174.4	-109.2	-0.9	110.1	S29 L482 L483 L535 S608 L609 E660	S29-R31 PolarHBondContact O-N 3.07Å; R31-L482 PolarHBondContact N-O 2.7Å; R31-L483 WeakPolarHBondContact CB-O 3.22Å; R31-L535 PolarHBondContact NE-O 3.12Å; R31-L535 VanDerWaalsContact NE-O 3.12Å; R31-S608 WeakPolarHBondContact CG-OG 3.44Å; R31-S608 CarbonylContact O-C 3.6Å; R31-S608 VanDerWaalsContact O-CA 3.23Å; R31-S608 WeakPolarHBondContact O-CA 3.19Å; R31-L609 PolarHBondContact O-N 2.67Å; R31-E660 IonicContact CZ-OE1 3.57Å; R31-E660 IonicContact CZ-OE2 3.36Å; R31-E660 IonicContact NE-OE1 3.51Å; R31-E660 PolarHBondContact NE-OE1 3.07Å; R31-E660 IonicContact NE-OE2 3.2Å; R31-E660 IonicContact NH2-OE1 3.51Å; R31-E660 IonicContact NH2-OE2 2.68Å; R31-E660 PolarHBondContact NH2-OE2 2.83Å
32	M	89.5	Confident	61.6	Low	7 Å²	7	84.9 Å²	84.9	3%	0.034	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	139	170.2	-53.6	-170.4	-49.2	0	0	110.8	P30 L483 E484 E485 V525 Y526	P30-M32 VanDerWaalsContact C-N 3.26Å; P30-M32 PolarHBondContact O-N 2.99Å; M32-L483 PolarHBondContact N-O 3.09Å; M32-E484 HydrophobicContact CE-CG 4.19Å; M32-E484 CarbonylContact O-C 3.58Å; M32-E484 WeakPolarHBondContact O-CA 3.28Å; M32-E485 PolarHBondContact O-N 3.2Å; M32-V525 HydrophobicContact CE-CG1 4.02Å; M32-V525 HydrophobicContact SD-CG1 4.07Å; M32-Y526 HydrophobicContact CE-CD1 3.78Å; M32-Y526 HydrophobicContact CE-CE1 3.23Å; M32-Y526 HydrophobicContact SD-CD1 3.61Å; M32-Y526 HydrophobicContact SD-CE1 3.56Å; M32-Y526 VanDerWaalsContact SD-CE1 3.56Å
33	K	89.2	Confident	63.2	Low	110 Å²	110	84.7 Å²	84.7	48%	0.478	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	116.9	171.5	-178.3	167.2	175.1	152.4	0	110.1	P30 E485 L609	P30-K33 HydrophobicContact CG-CB 4.27Å; K33-E485 CarbonylContact C-O 3.18Å; K33-E485 VanDerWaalsContact CA-O 3.32Å; K33-E485 WeakPolarHBondContact CA-O 3.36Å; K33-E485 HydrophobicContact CD-CG 4.49Å; K33-E485 WeakPolarHBondContact CD-OE1 3.41Å; K33-E485 WeakPolarHBondContact CE-OE1 3.47Å; K33-E485 HydrophobicContact CG-CB 4.35Å; K33-E485 HydrophobicContact CG-CG 4.36Å; K33-E485 IonicContact NZ-OE1 2.74Å; K33-E485 PolarHBondContact NZ-OE1 3.2Å; K33-L609 HydrophobicContact CB-CD1 3.63Å
34	L	86.4	Confident	64.9	Low	9 Å²	9	82.4 Å²	82.4	5%	0.047	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	114.5	-176.5	-61.5	174.3	0	0	0	109.1	E39 E485 L486 E487	L34-E39 WeakPolarHBondContact CA-OE2 3.49Å; L34-E485 PolarHBondContact N-O 3.22Å; L34-L486 HydrophobicContact CB-CD1 3.74Å; L34-L486 HydrophobicContact CD1-CD1 4.16Å; L34-E487 PolarHBondContact O-N 2.78Å
35	S	80.6	Confident	67	Low	35 Å²	35	79.3 Å²	79.3	25%	0.245	40%	0.399	C	S	.	.			trans	-101.2	152.9	-170.3	73	0	0	0	0	113.1	K37 V38 E39 E487	S35-K37 PolarHBondContact O-N 2.83Å; S35-V38 WeakPolarHBondContact OG-CG2 3.43Å; S35-E39 PolarHBondContact N-OE2 2.71Å; S35-E487 WeakPolarHBondContact CA-OE2 3.37Å
36	Y	71.6	Confident	69.5	Low	41 Å²	41	74.2 Å²	74.2	16%	0.161	37%	0.368	C	S	.	.	H	α-helix	trans	-61.6	-45.7	-176.5	-169.5	-73.5	0	0	0	112.1	L40 R48 E487 K490	Y36-L40 HydrophobicContact CD1-CD1 4.01Å; Y36-L40 HydrophobicContact CD2-CD1 3.33Å; Y36-L40 HydrophobicContact CE1-CD1 4.15Å; Y36-L40 HydrophobicContact CE2-CD1 3.53Å; Y36-L40 HydrophobicContact CG-CD1 3.57Å; Y36-L40 WeakPolarHBondContact O-CB 3.36Å; Y36-L40 WeakPolarHBondContact O-CD1 3.34Å; Y36-L40 WeakPolarHBondContact O-CG 3.48Å; Y36-R48 VanDerWaalsContact CE2-CZ 3.49Å; Y36-E487 VanDerWaalsContact CB-CD 3.49Å; Y36-E487 PolarHBondContact N-OE2 2.85Å; Y36-K490 HydrophobicContact CD1-CB 4.39Å; Y36-K490 HydrophobicContact CD1-CG 3.99Å; Y36-K490 HydrophobicContact CD2-CB 3.83Å; Y36-K490 HydrophobicContact CD2-CG 4.33Å; Y36-K490 HydrophobicContact CE1-CB 4.07Å; Y36-K490 HydrophobicContact CE1-CD 3.99Å; Y36-K490 HydrophobicContact CE1-CG 3.67Å; Y36-K490 HydrophobicContact CE2-CB 3.4Å; Y36-K490 VanDerWaalsContact CE2-CB 3.4Å; Y36-K490 HydrophobicContact CE2-CG 3.99Å; Y36-K490 HydrophobicContact CG-CB 4.32Å; Y36-K490 HydrophobicContact CG-CG 4.35Å
37	K	61.2	Low	71.8	Confident	190 Å²	190	67.4 Å²	67.4	83%	0.826	34%	0.342	S	S	*	.	H	α-helix	trans	-82.8	-24.3	-166.5	-69.7	-177.9	-173.4	174	0	114.9	S35	S35-K37 PolarHBondContact O-N 2.83Å
38	V	52.9	Low	73.4	Confident	118 Å²	118	66.8 Å²	66.8	72%	0.715	33%	0.332	S	S	*	.	H	α-helix	trans	-95.3	-31.2	-169	-175	0	0	0	0	112.5	S35	S35-V38 WeakPolarHBondContact OG-CG2 3.43Å
39	E	52.3	Low	74.5	Confident	66 Å²	66	65.6 Å²	65.6	31%	0.308	32%	0.321	S	S	.	.	H	α-helix	trans	-122.9	-16.9	-166.6	-66.6	163.4	134.4	0	0	114.1	L34 S35 Q41 Q42	L34-E39 WeakPolarHBondContact CA-OE2 3.49Å; S35-E39 PolarHBondContact N-OE2 2.71Å; E39-Q41 PolarHBondContact O-N 2.77Å; E39-Q42 PolarHBondContact O-N 3.09Å
40	L	51.6	Low	74.9	Confident	21 Å²	21	69.3 Å²	69.3	11%	0.11	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	9.3	-174.4	-63.9	-176.1	0	0	0	116.1	Y36 Q42 Y43 R48	Y36-L40 HydrophobicContact CD1-CD1 4.01Å; Y36-L40 HydrophobicContact CD2-CD1 3.33Å; Y36-L40 HydrophobicContact CE1-CD1 4.15Å; Y36-L40 HydrophobicContact CE2-CD1 3.53Å; Y36-L40 HydrophobicContact CG-CD1 3.57Å; Y36-L40 WeakPolarHBondContact O-CB 3.36Å; Y36-L40 WeakPolarHBondContact O-CD1 3.34Å; Y36-L40 WeakPolarHBondContact O-CG 3.48Å; L40-Q42 VanDerWaalsContact C-N 3.27Å; L40-Y43 HydrophobicContact CB-CE1 4.45Å; L40-Y43 HydrophobicContact CD2-CD1 4.02Å; L40-Y43 HydrophobicContact CD2-CE1 4.11Å; L40-Y43 WeakPolarHBondContact O-CD2 3.33Å; L40-Y43 WeakPolarHBondContact O-CE2 3.41Å; L40-R48 VanDerWaalsContact CD1-NH2 3.28Å
41	Q	45.3	Very low	75.1	Confident	201 Å²	201	69.7 Å²	69.7	94%	0.939	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-16.1	159.3	-73.9	-170.3	-14.7	0	0	112.3	E39	E39-Q41 PolarHBondContact O-N 2.77Å
42	Q	54.3	Low	75	Confident	163 Å²	163	77 Å²	77	76%	0.762	37%	0.368	S	S	*	.	S	Bend	trans	-109.2	-4	179.5	-65.2	-170.8	-4.6	0	0	114.5	E39 L40	E39-Q42 PolarHBondContact O-N 3.09Å; L40-Q42 VanDerWaalsContact C-N 3.27Å
43	Y	59.2	Low	74.9	Confident	98 Å²	98	87.9 Å²	87.9	38%	0.384	41%	0.409	S	S	.	.			trans	29.2	91.8	175.3	-83.8	-75.4	0	0	0	115.1	L40 G45 V46 R48	L40-Y43 HydrophobicContact CB-CE1 4.45Å; L40-Y43 HydrophobicContact CD2-CD1 4.02Å; L40-Y43 HydrophobicContact CD2-CE1 4.11Å; L40-Y43 WeakPolarHBondContact O-CD2 3.33Å; L40-Y43 WeakPolarHBondContact O-CE2 3.41Å; Y43-G45 PolarHBondContact O-N 2.87Å; Y43-V46 HydrophobicContact CD1-CB 4.19Å; Y43-V46 WeakPolarHBondContact CD1-O 3.36Å; Y43-R48 PolarHBondContact OH-NH1 2.77Å
44	H	66.6	Low	75.1	Confident	54 Å²	54	83.6 Å²	83.6	25%	0.25	39%	0.393	C	S	.	.	S	Bend	trans	-67.8	63.8	178.8	-60.1	-61.6	0	0	0	113.7	V46 R522	H44-V46 PolarHBondContact O-N 3.19Å; H44-R522 HydrophobicContact CB-CG 4Å
45	G	73.7	Confident	75.5	Confident	37 Å²	37	84.4 Å²	84.4	38%	0.381	40%	0.399	S	S	.	.	S	Bend	trans	70.6	-7.3	-173.5	0	0	0	0	0	115.7	Y43	Y43-G45 PolarHBondContact O-N 2.87Å
46	V	87.8	Confident	76.1	Confident	7 Å²	7	83.7 Å²	83.7	4%	0.042	39%	0.394	C	S	.	.			trans	-69.6	138.7	177.9	179.6	0	0	0	0	110.7	Y43 H44 L486 Q517 V518	Y43-V46 HydrophobicContact CD1-CB 4.19Å; Y43-V46 WeakPolarHBondContact CD1-O 3.36Å; H44-V46 PolarHBondContact O-N 3.19Å; V46-L486 HydrophobicContact CG2-CD2 4.19Å; V46-Q517 CarbonylContact C-O 3.55Å; V46-Q517 VanDerWaalsContact CA-O 3.26Å; V46-Q517 WeakPolarHBondContact CA-O 3.31Å; V46-V518 HydrophobicContact CG1-CG2 4.19Å; V46-V518 HydrophobicContact CG2-CG1 4.31Å; V46-V518 HydrophobicContact CG2-CG2 4.27Å
47	R	90.8	Very high	77.2	Confident	93 Å²	93	81.8 Å²	81.8	35%	0.351	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	158.6	174.1	-63.3	144.4	174.5	-174.9	-6.7	109.5	D83 I85 A516 Q517	R47-D83 PolarHBondContact NH1-O 2.71Å; R47-I85 HydrophobicContact CB-CG1 4.45Å; R47-A516 CarbonylContact O-C 3.12Å; R47-A516 VanDerWaalsContact O-CA 3.29Å; R47-A516 WeakPolarHBondContact O-CA 3.38Å; R47-Q517 HydrophobicContact CB-CB 4.39Å; R47-Q517 PolarHBondContact N-O 2.81Å; R47-Q517 PolarHBondContact O-N 3.39Å
48	R	90.6	Very high	78.7	Confident	27 Å²	27	74.1 Å²	74.1	10%	0.102	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	153.2	179	-63.1	-170	-175.5	94.2	4.2	112.5	Y36 L40 Y43 A86 V488 I515 A516	Y36-R48 VanDerWaalsContact CE2-CZ 3.49Å; L40-R48 VanDerWaalsContact CD1-NH2 3.28Å; Y43-R48 PolarHBondContact OH-NH1 2.77Å; R48-A86 VanDerWaalsContact O-CB 3.28Å; R48-A86 WeakPolarHBondContact O-CB 3.3Å; R48-V488 PolarHBondContact NE-O 2.82Å; R48-V488 PolarHBondContact NH2-O 3.16Å; R48-I515 CarbonylContact C-O 3.59Å; R48-I515 VanDerWaalsContact CA-O 3.28Å; R48-I515 WeakPolarHBondContact CA-O 2.97Å; R48-A516 HydrophobicContact CG-CB 4.24Å
49	F	94.3	Very high	80.7	Confident	18 Å²	18	68.8 Å²	68.8	8%	0.079	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132.4	167.9	177.8	-86.7	0	0	0	108.5	L51 F57 L78 L80 I85 E89 G514 I515	F49-L51 HydrophobicContact CE1-CB 3.99Å; F49-L51 HydrophobicContact CZ-CB 4.4Å; F49-F57 HydrophobicContact CE1-CE1 4.5Å; F49-L78 HydrophobicContact CE1-CD1 3.67Å; F49-L78 HydrophobicContact CZ-CD1 4.24Å; F49-L80 HydrophobicContact CB-CD1 4.13Å; F49-L80 HydrophobicContact CD1-CD1 3.93Å; F49-L80 HydrophobicContact CD1-CD2 4.39Å; F49-L80 HydrophobicContact CD2-CD1 4.27Å; F49-L80 HydrophobicContact CD2-CD2 3.88Å; F49-L80 HydrophobicContact CE1-CD1 4.44Å; F49-L80 HydrophobicContact CE1-CD2 4.23Å; F49-L80 HydrophobicContact CE2-CD2 3.71Å; F49-L80 HydrophobicContact CG-CD1 3.83Å; F49-L80 HydrophobicContact CG-CD2 4.22Å; F49-L80 HydrophobicContact CZ-CD2 3.89Å; F49-I85 HydrophobicContact CB-CD1 4.12Å; F49-I85 HydrophobicContact CB-CG1 4.34Å; F49-I85 WeakPolarHBondContact CD2-O 3.48Å; F49-E89 HydrophobicContact CE2-CB 3.83Å; F49-E89 HydrophobicContact CE2-CG 3.89Å; F49-E89 HydrophobicContact CZ-CB 4.38Å; F49-E89 HydrophobicContact CZ-CG 4.37Å; F49-G514 CarbonylContact O-C 3.55Å; F49-G514 VanDerWaalsContact O-CA 3.27Å; F49-G514 WeakPolarHBondContact O-CA 3.45Å; F49-I515 HydrophobicContact CD1-CD1 4.01Å; F49-I515 PolarHBondContact N-O 3.24Å; F49-I515 PolarHBondContact O-N 3.2Å
50	E	93.4	Very high	82.9	Confident	131 Å²	131	66.4 Å²	66.4	61%	0.612	31%	0.314	S	S	*	.			trans	-132.2	148.8	177.6	-66.3	173.2	-157.5	0	0	107.3
51	L	93.6	Very high	85.1	Confident	24 Å²	24	66.6 Å²	66.6	13%	0.126	32%	0.315	C	S	.	.			trans	-129.2	117.3	-177.5	-178.8	60.6	0	0	0	111.3	F49 R53 S54 F57 F76 L78 K91	F49-L51 HydrophobicContact CE1-CB 3.99Å; F49-L51 HydrophobicContact CZ-CB 4.4Å; L51-R53 PolarHBondContact O-N 2.75Å; L51-S54 PolarHBondContact O-N 2.82Å; L51-F57 HydrophobicContact CB-CE1 4.35Å; L51-F57 HydrophobicContact CB-CZ 4Å; L51-F76 HydrophobicContact CD2-CB 4.14Å; L51-F76 HydrophobicContact CD2-CD1 4.48Å; L51-F76 HydrophobicContact CD2-CD2 3.79Å; L51-F76 HydrophobicContact CD2-CE2 4.3Å; L51-F76 HydrophobicContact CD2-CG 3.9Å; L51-L78 HydrophobicContact CD2-CD1 4.15Å; L51-L78 HydrophobicContact CD2-CD2 3.91Å; L51-K91 HydrophobicContact CD1-CD 4.5Å
52	E	90.9	Very high	87.6	Confident	167 Å²	167	58.5 Å²	58.5	78%	0.78	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	132.9	177.6	-67.7	-169.3	-175.5	0	0	112.3	S54	E52-S54 PolarHBondContact O-N 2.69Å; E52-S54 VanDerWaalsContact O-N 3.1Å
53	R	87.8	Confident	89.5	Confident	236 Å²	236	51 Å²	51	89%	0.891	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	13.7	176.8	-48	-179.7	-173	-170.9	0.5	115	L51	L51-R53 PolarHBondContact O-N 2.75Å
54	S	93.4	Very high	91.2	Very high	20 Å²	20	49.2 Å²	49.2	14%	0.14	24%	0.238	C	C	.	.			trans	-115.8	176.3	167.7	-163.8	0	0	0	0	110.6	L51 E52 K74	L51-S54 PolarHBondContact O-N 2.82Å; E52-S54 PolarHBondContact O-N 2.69Å; E52-S54 VanDerWaalsContact O-N 3.1Å; S54-K74 PolarHBondContact OG-N 3.06Å; S54-K74 PolarHBondContact OG-O 2.78Å
55	C	93.6	Very high	92.3	Very high	26 Å²	26	52.2 Å²	52.2	18%	0.176	25%	0.252	C	S	.	.			trans	-163	-178.9	178.8	77.4	0	0	0	0	110.2	A73 K74 D512	C55-A73 WeakPolarHBondContact O-CB 3.28Å; C55-K74 PolarHBondContact O-N 2.83Å; C55-D512 CarbonylContact C-O 3.55Å; C55-D512 WeakPolarHBondContact CA-O 3.25Å; C55-D512 VanDerWaalsContact CB-O 3.25Å; C55-D512 WeakPolarHBondContact CB-O 3.02Å
56	C	93.2	Very high	93.1	Very high	20 Å²	20	52.3 Å²	52.3	14%	0.135	24%	0.241	C	C	.	.			trans	68.4	51.9	151	-44.9	0	0	0	0	112.7	S58 Y118 D512	C56-S58 PolarHBondContact O-N 2.84Å; C56-S58 PolarHBondContact O-OG 2.83Å; C56-S58 VanDerWaalsContact O-OG 3.08Å; C56-Y118 HydrophobicContact CB-CD1 4.09Å; C56-Y118 HydrophobicContact CB-CE1 3.79Å; C56-D512 WeakPolarHBondContact CA-OD1 3.36Å; C56-D512 PolarHBondContact N-O 2.99Å; C56-D512 PolarHBondContact SG-OD1 3.41Å; C56-D512 VanDerWaalsContact SG-OD1 3.4Å
57	F	95.8	Very high	93.4	Very high	1 Å²	1	52.6 Å²	52.6	0%	0.004	25%	0.245	C	C	.	.			trans	-72.4	59.1	-174.6	-58.3	-87.7	0	0	0	111.7	F49 L51 V71 A73 L78 S511 G514 I515	F49-F57 HydrophobicContact CE1-CE1 4.5Å; L51-F57 HydrophobicContact CB-CE1 4.35Å; L51-F57 HydrophobicContact CB-CZ 4Å; F57-V71 HydrophobicContact CB-CG1 4.01Å; F57-V71 HydrophobicContact CD1-CG1 4.02Å; F57-A73 HydrophobicContact CD1-CB 3.79Å; F57-A73 HydrophobicContact CE1-CB 3.88Å; F57-L78 HydrophobicContact CD1-CD1 4.31Å; F57-L78 HydrophobicContact CE1-CD1 3.89Å; F57-S511 WeakPolarHBondContact CD2-O 3.45Å; F57-S511 PolarHBondContact N-O 2.86Å; F57-S511 VanDerWaalsContact N-O 3.13Å; F57-G514 VanDerWaalsContact CE2-CA 3.5Å; F57-I515 HydrophobicContact CB-CG1 3.94Å; F57-I515 HydrophobicContact CD1-CD1 3.79Å; F57-I515 HydrophobicContact CD1-CG1 3.93Å; F57-I515 HydrophobicContact CE1-CD1 4.34Å; F57-I515 HydrophobicContact CG-CD1 4.31Å; F57-I515 HydrophobicContact CG-CG1 3.92Å
58	S	91	Very high	93.6	Very high	29 Å²	29	49.2 Å²	49.2	20%	0.203	23%	0.232	C	C	.	.			trans	-92	-18.6	-164.2	48.8	0	0	0	0	114.5	C56 N497	C56-S58 PolarHBondContact O-N 2.84Å; C56-S58 PolarHBondContact O-OG 2.83Å; C56-S58 VanDerWaalsContact O-OG 3.08Å; S58-N497 PolarHBondContact O-ND2 3.21Å
59	A	96.1	Very high	93.9	Very high	6 Å²	6	47.9 Å²	47.9	5%	0.05	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	114.3	176.7	0	0	0	0	0	109.6	V71 G72 K120 V122	A59-V71 CarbonylContact O-C 3.59Å; A59-V71 VanDerWaalsContact O-CA 3.29Å; A59-V71 WeakPolarHBondContact O-CA 3.23Å; A59-V71 WeakPolarHBondContact O-CG1 3.12Å; A59-G72 PolarHBondContact O-N 3.06Å; A59-K120 VanDerWaalsContact CB-C 3.49Å; A59-K120 WeakPolarHBondContact CB-O 3.41Å; A59-V122 HydrophobicContact CB-CG2 4.24Å
60	M	97.5	Very high	94.1	Very high	15 Å²	15	47 Å²	47	7%	0.074	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	134.2	-177.8	-65.8	175.6	55.1	0	0	110.9	L69 V71 N497 Q499 I515	M60-L69 HydrophobicContact CE-CD1 4.09Å; M60-L69 HydrophobicContact CE-CD2 4.11Å; M60-V71 HydrophobicContact CG-CG1 4Å; M60-V71 HydrophobicContact CG-CG2 4.11Å; M60-N497 HydrophobicContact CG-CB 4.16Å; M60-N497 HydrophobicContact SD-CB 3.7Å; M60-Q499 HydrophobicContact CB-CG 3.7Å; M60-Q499 HydrophobicContact CE-CB 4.33Å; M60-Q499 HydrophobicContact CE-CG 4.07Å; M60-I515 HydrophobicContact CE-CG2 4.37Å
61	L	97.8	Very high	94.3	Very high	25 Å²	25	40.8 Å²	40.8	13%	0.131	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	117.3	177.1	179.7	69.1	0	0	0	109.8	F70 V122 L130	L61-F70 HydrophobicContact CB-CB 4.32Å; L61-F70 HydrophobicContact CD2-CD2 4.47Å; L61-F70 PolarHBondContact N-O 3.13Å; L61-F70 PolarHBondContact O-N 3.11Å; L61-V122 HydrophobicContact CB-CB 4.29Å; L61-V122 HydrophobicContact CB-CG1 4.21Å; L61-V122 HydrophobicContact CD2-CG1 3.93Å; L61-L130 HydrophobicContact CD2-CD2 4.03Å
62	L	97.4	Very high	94.5	Very high	31 Å²	31	39.7 Å²	39.7	16%	0.162	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	112.6	-177.9	171.3	62.1	0	0	0	111	E64 L69 L82 Q499 I500 Y508	L62-E64 HydrophobicContact CD1-CG 4.49Å; L62-E64 HydrophobicContact CG-CG 4.34Å; L62-L69 HydrophobicContact CB-CD1 4.47Å; L62-L82 HydrophobicContact CD1-CD1 3.71Å; L62-L82 HydrophobicContact CD1-CD2 3.5Å; L62-L82 VanDerWaalsContact CD1-CD2 3.5Å; L62-L82 HydrophobicContact CD1-CG 4.3Å; L62-Q499 HydrophobicContact CB-CB 4.32Å; L62-I500 VanDerWaalsContact CD2-O 3.26Å; L62-I500 WeakPolarHBondContact CD2-O 3.31Å; L62-Y508 HydrophobicContact CD1-CD2 4.23Å; L62-Y508 HydrophobicContact CD1-CE2 3.91Å
63	D	95.4	Very high	94.8	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.027	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	93.5	179.3	-169.6	-25.5	0	0	0	111.7	E65 R66 G67 R68 F70 L82 H124	D63-E65 VanDerWaalsContact C-N 3.28Å; D63-E65 PolarHBondContact O-N 3.04Å; D63-E65 WeakPolarHBondContact OD1-CA 3.41Å; D63-E65 WeakPolarHBondContact OD1-CB 3.38Å; D63-E65 PolarHBondContact OD1-N 2.93Å; D63-R66 PolarHBondContact OD1-N 2.77Å; D63-R66 IonicContact OD1-NH1 2.71Å; D63-R66 PolarHBondContact OD1-NH1 3.28Å; D63-R66 WeakPolarHBondContact OD2-CD 3.22Å; D63-R66 IonicContact OD2-CZ 2.73Å; D63-R66 IonicContact OD2-NE 3.55Å; D63-R66 IonicContact OD2-NH1 2.69Å; D63-R66 PolarHBondContact OD2-NH1 3.4Å; D63-G67 WeakPolarHBondContact O-CA 3.44Å; D63-G67 PolarHBondContact O-N 3.48Å; D63-R68 CarbonylContact C-O 3.57Å; D63-R68 WeakPolarHBondContact CA-O 3.46Å; D63-R68 WeakPolarHBondContact CB-O 3.48Å; D63-R68 PolarHBondContact N-O 2.94Å; D63-R68 PolarHBondContact O-N 3.35Å; D63-F70 HydrophobicContact CB-CD2 4.13Å; D63-F70 HydrophobicContact CB-CE2 3.76Å; D63-L82 WeakPolarHBondContact O-CD1 3.34Å; D63-H124 IonicContact OD2-CE1 3.41Å; D63-H124 PolarHBondContact OD2-CE1 2.97Å; D63-H124 VanDerWaalsContact OD2-CE1 3.23Å; D63-H124 IonicContact OD2-ND1 3.28Å
64	E	93.9	Very high	95.2	Very high	61 Å²	61	21.8 Å²	21.8	29%	0.285	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-13.3	175.4	-62.4	-162.3	157.2	0	0	114.6	L62 S501 K503	L62-E64 HydrophobicContact CD1-CG 4.49Å; L62-E64 HydrophobicContact CG-CG 4.34Å; E64-S501 WeakPolarHBondContact OE1-CB 3.47Å; E64-S501 PolarHBondContact OE1-OG 3.48Å; E64-K503 WeakPolarHBondContact OE1-CB 3.37Å; E64-K503 WeakPolarHBondContact OE2-CD 3.38Å; E64-K503 IonicContact OE2-NZ 3.39Å
65	E	91.1	Very high	95.4	Very high	117 Å²	117	21.9 Å²	21.9	55%	0.547	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-49.5	177.1	-175.4	-170.8	-155.1	0	0	110	D63 R127	D63-E65 VanDerWaalsContact C-N 3.28Å; D63-E65 PolarHBondContact O-N 3.04Å; D63-E65 WeakPolarHBondContact OD1-CA 3.41Å; D63-E65 WeakPolarHBondContact OD1-CB 3.38Å; D63-E65 PolarHBondContact OD1-N 2.93Å; E65-R127 IonicContact OE1-CZ 3.51Å; E65-R127 IonicContact OE1-NE 3.6Å; E65-R127 IonicContact OE1-NH2 3.57Å; E65-R127 PolarHBondContact OE1-NH2 3.47Å
66	R	90.4	Very high	95.6	Very high	40 Å²	40	22.3 Å²	22.3	15%	0.151	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-7	179.3	-68	166.8	-159.2	54.7	22	113.4	D63 R68 R127	D63-R66 PolarHBondContact OD1-N 2.77Å; D63-R66 IonicContact OD1-NH1 2.71Å; D63-R66 PolarHBondContact OD1-NH1 3.28Å; D63-R66 WeakPolarHBondContact OD2-CD 3.22Å; D63-R66 IonicContact OD2-CZ 2.73Å; D63-R66 IonicContact OD2-NE 3.55Å; D63-R66 IonicContact OD2-NH1 2.69Å; D63-R66 PolarHBondContact OD2-NH1 3.4Å; R66-R68 VanDerWaalsContact C-N 3.31Å; R66-R68 HydrophobicContact CB-CG 4.28Å; R66-R68 PolarHBondContact O-N 3.23Å; R66-R127 PolarHBondContact NH2-O 2.85Å
67	G	92.8	Very high	95.8	Very high	12 Å²	12	21.3 Å²	21.3	12%	0.124	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	27.2	-176.6	0	0	0	0	0	113.2	D63 L82	D63-G67 WeakPolarHBondContact O-CA 3.44Å; D63-G67 PolarHBondContact O-N 3.48Å; G67-L82 VanDerWaalsContact C-CG 3.48Å; G67-L82 WeakPolarHBondContact O-CB 3.24Å; G67-L82 WeakPolarHBondContact O-CG 3.37Å; G67-L82 PolarHBondContact O-N 2.93Å
68	R	94.9	Very high	95.8	Very high	22 Å²	22	21.3 Å²	21.3	8%	0.083	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	151.7	-172.8	-66.1	-59.5	-171.9	152.7	-0.7	113.3	D63 R66 F70 S79 L80 Q88 H90	D63-R68 CarbonylContact C-O 3.57Å; D63-R68 WeakPolarHBondContact CA-O 3.46Å; D63-R68 WeakPolarHBondContact CB-O 3.48Å; D63-R68 PolarHBondContact N-O 2.94Å; D63-R68 PolarHBondContact O-N 3.35Å; R66-R68 VanDerWaalsContact C-N 3.31Å; R66-R68 HydrophobicContact CB-CG 4.28Å; R66-R68 PolarHBondContact O-N 3.23Å; R68-F70 HydrophobicContact CB-CD2 4.48Å; R68-F70 HydrophobicContact CB-CE1 4.26Å; R68-F70 HydrophobicContact CB-CE2 3.93Å; R68-F70 HydrophobicContact CB-CZ 3.81Å; R68-F70 HydrophobicContact CG-CZ 4.27Å; R68-S79 WeakPolarHBondContact CD-OG 3.45Å; R68-S79 PolarHBondContact NH1-O 3.48Å; R68-L80 CarbonylContact C-O 3.57Å; R68-L80 VanDerWaalsContact CA-O 3.3Å; R68-L80 WeakPolarHBondContact CA-O 3.44Å; R68-L80 VanDerWaalsContact CD-O 3.31Å; R68-L80 WeakPolarHBondContact CD-O 3.39Å; R68-Q88 PolarHBondContact NH1-O 2.89Å; R68-H90 PolarHBondContact NH1-CD2 3.42Å; R68-H90 VanDerWaalsContact NH1-CD2 3.33Å; R68-H90 PolarHBondContact NH2-CD2 3.19Å; R68-H90 PolarHBondContact NH2-NE2 3.01Å
69	L	97.6	Very high	96.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	113	164.7	-178.9	69.3	0	0	0	107.3	M60 L62 V71 L80 L82 I85 Y508 I515	M60-L69 HydrophobicContact CE-CD1 4.09Å; M60-L69 HydrophobicContact CE-CD2 4.11Å; L62-L69 HydrophobicContact CB-CD1 4.47Å; L69-V71 HydrophobicContact CD2-CG2 4.07Å; L69-V71 HydrophobicContact CG-CG2 3.79Å; L69-L80 HydrophobicContact CB-CB 4.41Å; L69-L80 PolarHBondContact N-O 2.9Å; L69-L80 PolarHBondContact O-N 2.8Å; L69-L82 HydrophobicContact CB-CD2 3.75Å; L69-I85 HydrophobicContact CD2-CG2 4.37Å; L69-Y508 HydrophobicContact CD1-CG 4.42Å; L69-Y508 HydrophobicContact CD2-CD1 3.79Å; L69-Y508 HydrophobicContact CD2-CG 4.07Å; L69-I515 HydrophobicContact CD2-CG2 4.16Å
70	F	97.9	Very high	96.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	130.9	175.8	-59.3	-75.4	0	0	0	109.7	L61 D63 R68 L78 S79 V122 L130 V147 F160	L61-F70 HydrophobicContact CB-CB 4.32Å; L61-F70 HydrophobicContact CD2-CD2 4.47Å; L61-F70 PolarHBondContact N-O 3.13Å; L61-F70 PolarHBondContact O-N 3.11Å; D63-F70 HydrophobicContact CB-CD2 4.13Å; D63-F70 HydrophobicContact CB-CE2 3.76Å; R68-F70 HydrophobicContact CB-CD2 4.48Å; R68-F70 HydrophobicContact CB-CE1 4.26Å; R68-F70 HydrophobicContact CB-CE2 3.93Å; R68-F70 HydrophobicContact CB-CZ 3.81Å; R68-F70 HydrophobicContact CG-CZ 4.27Å; F70-L78 CarbonylContact C-O 3.49Å; F70-L78 VanDerWaalsContact CA-O 3.24Å; F70-L78 WeakPolarHBondContact CA-O 3.17Å; F70-S79 WeakPolarHBondContact CE1-OG 3.31Å; F70-V122 HydrophobicContact CB-CG1 4.21Å; F70-L130 HydrophobicContact CB-CD1 4.01Å; F70-L130 HydrophobicContact CD1-CD1 3.68Å; F70-L130 HydrophobicContact CD2-CD1 3.64Å; F70-L130 HydrophobicContact CD2-CD2 4.42Å; F70-L130 HydrophobicContact CE1-CD1 3.98Å; F70-L130 HydrophobicContact CE2-CD1 3.94Å; F70-L130 HydrophobicContact CE2-CD2 4.32Å; F70-L130 HydrophobicContact CG-CD1 3.49Å; F70-L130 VanDerWaalsContact CG-CD1 3.49Å; F70-L130 HydrophobicContact CZ-CD1 4.1Å; F70-V147 HydrophobicContact CE1-CG1 3.77Å; F70-V147 HydrophobicContact CZ-CB 4.32Å; F70-V147 HydrophobicContact CZ-CG1 3.82Å; F70-F160 HydrophobicContact CD1-CD2 4.39Å; F70-F160 AromaticContact CD1-CE2 3.68Å; F70-F160 HydrophobicContact CD1-CE2 3.68Å; F70-F160 HydrophobicContact CD1-CZ 4.28Å; F70-F160 HydrophobicContact CE1-CD2 4.07Å; F70-F160 AromaticContact CE1-CE2 3.82Å; F70-F160 HydrophobicContact CE1-CE2 3.82Å
71	V	98.3	Very high	95.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	129.7	-174.7	-171.5	0	0	0	0	112	F57 A59 M60 L69 L77 L78 I515	F57-V71 HydrophobicContact CB-CG1 4.01Å; F57-V71 HydrophobicContact CD1-CG1 4.02Å; A59-V71 CarbonylContact O-C 3.59Å; A59-V71 VanDerWaalsContact O-CA 3.29Å; A59-V71 WeakPolarHBondContact O-CA 3.23Å; A59-V71 WeakPolarHBondContact O-CG1 3.12Å; M60-V71 HydrophobicContact CG-CG1 4Å; M60-V71 HydrophobicContact CG-CG2 4.11Å; L69-V71 HydrophobicContact CD2-CG2 4.07Å; L69-V71 HydrophobicContact CG-CG2 3.79Å; V71-L77 CarbonylContact O-C 3.57Å; V71-L77 WeakPolarHBondContact O-CA 3.3Å; V71-L78 HydrophobicContact CB-CB 4.38Å; V71-L78 PolarHBondContact N-O 3.13Å; V71-L78 PolarHBondContact O-N 2.8Å; V71-I515 HydrophobicContact CB-CD1 4.17Å; V71-I515 HydrophobicContact CG1-CD1 3.98Å; V71-I515 HydrophobicContact CG2-CD1 3.83Å
72	G	97.8	Very high	95.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	133.6	168.5	0	0	0	0	0	111.8	A59	A59-G72 PolarHBondContact O-N 3.06Å
73	A	97.1	Very high	95.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	-177.6	-178.4	0	0	0	0	0	110.7	C55 F57 N75 F76 V119	C55-A73 WeakPolarHBondContact O-CB 3.28Å; F57-A73 HydrophobicContact CD1-CB 3.79Å; F57-A73 HydrophobicContact CE1-CB 3.88Å; A73-N75 PolarHBondContact O-N 2.82Å; A73-F76 PolarHBondContact N-O 2.85Å; A73-F76 PolarHBondContact O-N 2.97Å; A73-V119 PolarHBondContact O-N 2.9Å
74	K	97.2	Very high	95.5	Very high	28 Å²	28	23 Å²	23	12%	0.122	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-63.5	114.2	173.2	-176.6	179.4	178.7	117.5	0	111.4	S54 C55 F76 T112 S113 V116 Y118	S54-K74 PolarHBondContact OG-N 3.06Å; S54-K74 PolarHBondContact OG-O 2.78Å; C55-K74 PolarHBondContact O-N 2.83Å; K74-F76 WeakPolarHBondContact O-CD2 3.23Å; K74-F76 PolarHBondContact O-N 2.92Å; K74-T112 PolarHBondContact NZ-O 3.17Å; K74-S113 PolarHBondContact NZ-O 2.8Å; K74-S113 VanDerWaalsContact NZ-O 3.15Å; K74-V116 HydrophobicContact CD-CG2 4.4Å; K74-V116 HydrophobicContact CG-CG2 4.03Å; K74-Y118 HydrophobicContact CB-CD1 4.08Å; K74-Y118 HydrophobicContact CB-CE1 3.79Å; K74-Y118 HydrophobicContact CD-CE1 4.18Å; K74-Y118 HydrophobicContact CG-CD1 4.48Å; K74-Y118 HydrophobicContact CG-CE1 3.98Å; K74-Y118 PolarHBondContact NZ-OH 3.44Å; K74-Y118 VanDerWaalsContact NZ-OH 3.08Å
75	N	96.8	Very high	95.5	Very high	22 Å²	22	20 Å²	20	12%	0.118	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	12.9	-176.4	-59.6	-44	0	0	0	116	A73 Y93 W94 P95 N117	A73-N75 PolarHBondContact O-N 2.82Å; N75-Y93 HydrophobicContact CB-CD2 4.23Å; N75-Y93 HydrophobicContact CB-CE2 3.78Å; N75-Y93 VanDerWaalsContact O-CD2 3.31Å; N75-Y93 WeakPolarHBondContact O-CD2 3.42Å; N75-W94 PolarHBondContact O-N 3.47Å; N75-P95 HydrophobicContact CB-CB 4.49Å; N75-N117 WeakPolarHBondContact CA-O 3.45Å; N75-N117 PolarHBondContact N-O 3.46Å; N75-N117 PolarHBondContact OD1-N 3.33Å; N75-N117 PolarHBondContact OD1-O 2.8Å
76	F	97.2	Very high	95.6	Very high	34 Å²	34	16.8 Å²	16.8	15%	0.149	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	143.8	-177.4	-72.2	-80.5	0	0	0	112.7	L51 A73 K74 L78 K91 I92 Y93	L51-F76 HydrophobicContact CD2-CB 4.14Å; L51-F76 HydrophobicContact CD2-CD1 4.48Å; L51-F76 HydrophobicContact CD2-CD2 3.79Å; L51-F76 HydrophobicContact CD2-CE2 4.3Å; L51-F76 HydrophobicContact CD2-CG 3.9Å; A73-F76 PolarHBondContact N-O 2.85Å; A73-F76 PolarHBondContact O-N 2.97Å; K74-F76 WeakPolarHBondContact O-CD2 3.23Å; K74-F76 PolarHBondContact O-N 2.92Å; F76-L78 HydrophobicContact CB-CD2 4.19Å; F76-K91 HydrophobicContact CD1-CB 4.38Å; F76-I92 WeakPolarHBondContact CA-O 3.41Å; F76-Y93 HydrophobicContact CD1-CD2 4.09Å; F76-Y93 HydrophobicContact CD2-CD2 4.48Å; F76-Y93 AromaticContact CE1-CD2 3.56Å; F76-Y93 HydrophobicContact CE1-CD2 3.56Å; F76-Y93 HydrophobicContact CE1-CG 4.05Å; F76-Y93 AromaticContact CE2-CD2 4Å; F76-Y93 HydrophobicContact CE2-CD2 4Å; F76-Y93 HydrophobicContact CE2-CE2 4.34Å; F76-Y93 AromaticContact CZ-CD2 3.5Å; F76-Y93 HydrophobicContact CZ-CD2 3.5Å; F76-Y93 HydrophobicContact CZ-CE2 4.11Å; F76-Y93 HydrophobicContact CZ-CG 4.32Å
77	L	97.3	Very high	95.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	137	158.7	-171.7	79	0	0	0	108.4	V71 K91 I92 V119 V122 A132 V145 F160	V71-L77 CarbonylContact O-C 3.57Å; V71-L77 WeakPolarHBondContact O-CA 3.3Å; L77-K91 WeakPolarHBondContact O-CA 3.49Å; L77-I92 HydrophobicContact CD2-CD1 4.37Å; L77-I92 PolarHBondContact N-O 2.83Å; L77-I92 PolarHBondContact O-N 2.88Å; L77-V119 HydrophobicContact CD1-CG1 3.92Å; L77-V122 HydrophobicContact CD1-CG1 4.38Å; L77-V122 HydrophobicContact CD1-CG2 3.57Å; L77-A132 HydrophobicContact CD1-CB 4.38Å; L77-A132 HydrophobicContact CD2-CB 4.3Å; L77-V145 HydrophobicContact CD2-CB 4.28Å; L77-V145 HydrophobicContact CD2-CG1 3.81Å; L77-V145 HydrophobicContact CD2-CG2 3.59Å; L77-F160 HydrophobicContact CB-CZ 4.44Å; L77-F160 HydrophobicContact CD2-CE2 4.04Å; L77-F160 HydrophobicContact CD2-CZ 3.85Å; L77-F160 HydrophobicContact CG-CE2 4.5Å; L77-F160 HydrophobicContact CG-CZ 3.88Å; L77-F160 WeakPolarHBondContact O-CE1 3.43Å
78	L	97	Very high	95.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	150.3	-171.6	-54.2	176.9	0	0	0	111.8	F49 L51 F57 F70 V71 F76 L80 H90 K91 F160	F49-L78 HydrophobicContact CE1-CD1 3.67Å; F49-L78 HydrophobicContact CZ-CD1 4.24Å; L51-L78 HydrophobicContact CD2-CD1 4.15Å; L51-L78 HydrophobicContact CD2-CD2 3.91Å; F57-L78 HydrophobicContact CD1-CD1 4.31Å; F57-L78 HydrophobicContact CE1-CD1 3.89Å; F70-L78 CarbonylContact C-O 3.49Å; F70-L78 VanDerWaalsContact CA-O 3.24Å; F70-L78 WeakPolarHBondContact CA-O 3.17Å; V71-L78 HydrophobicContact CB-CB 4.38Å; V71-L78 PolarHBondContact N-O 3.13Å; V71-L78 PolarHBondContact O-N 2.8Å; F76-L78 HydrophobicContact CB-CD2 4.19Å; L78-L80 HydrophobicContact CB-CD2 4.4Å; L78-H90 CarbonylContact C-O 3.47Å; L78-H90 WeakPolarHBondContact CA-O 3.25Å; L78-K91 HydrophobicContact CD2-CB 3.5Å; L78-F160 WeakPolarHBondContact O-CZ 3.48Å
79	S	96.4	Very high	94.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	105.7	168.2	175.3	0	0	0	0	108.4	R68 F70 E89 H90 H158	R68-S79 WeakPolarHBondContact CD-OG 3.45Å; R68-S79 PolarHBondContact NH1-O 3.48Å; F70-S79 WeakPolarHBondContact CE1-OG 3.31Å; S79-E89 WeakPolarHBondContact O-CA 3.49Å; S79-H90 PolarHBondContact N-O 2.86Å; S79-H90 PolarHBondContact O-N 3.16Å; S79-H158 PolarHBondContact OG-NE2 2.89Å
80	L	96.1	Very high	94.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	150.5	-178	-51.6	-176.8	0	0	0	110.6	F49 R68 L69 L78 I85 E89 I515	F49-L80 HydrophobicContact CB-CD1 4.13Å; F49-L80 HydrophobicContact CD1-CD1 3.93Å; F49-L80 HydrophobicContact CD1-CD2 4.39Å; F49-L80 HydrophobicContact CD2-CD1 4.27Å; F49-L80 HydrophobicContact CD2-CD2 3.88Å; F49-L80 HydrophobicContact CE1-CD1 4.44Å; F49-L80 HydrophobicContact CE1-CD2 4.23Å; F49-L80 HydrophobicContact CE2-CD2 3.71Å; F49-L80 HydrophobicContact CG-CD1 3.83Å; F49-L80 HydrophobicContact CG-CD2 4.22Å; F49-L80 HydrophobicContact CZ-CD2 3.89Å; R68-L80 CarbonylContact C-O 3.57Å; R68-L80 VanDerWaalsContact CA-O 3.3Å; R68-L80 WeakPolarHBondContact CA-O 3.44Å; R68-L80 VanDerWaalsContact CD-O 3.31Å; R68-L80 WeakPolarHBondContact CD-O 3.39Å; L69-L80 HydrophobicContact CB-CB 4.41Å; L69-L80 PolarHBondContact N-O 2.9Å; L69-L80 PolarHBondContact O-N 2.8Å; L78-L80 HydrophobicContact CB-CD2 4.4Å; L80-I85 HydrophobicContact CB-CB 4.42Å; L80-I85 HydrophobicContact CD1-CB 4.29Å; L80-E89 HydrophobicContact CD2-CB 3.51Å; L80-I515 HydrophobicContact CD1-CD1 3.54Å
81	S	94.6	Very high	94.5	Very high	7 Å²	7	38 Å²	38	5%	0.049	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	130.8	176.1	177.7	0	0	0	0	111.7	D83 N84 I85	S81-D83 PolarHBondContact O-N 2.79Å; S81-D83 PolarHBondContact OG-N 2.96Å; S81-N84 CarbonylContact O-C 3.58Å; S81-N84 PolarHBondContact O-N 2.84Å; S81-I85 WeakPolarHBondContact O-CA 3.44Å; S81-I85 PolarHBondContact O-N 2.84Å; S81-I85 VanDerWaalsContact O-N 3.13Å
82	L	95.2	Very high	94.3	Very high	3 Å²	3	39 Å²	39	2%	0.016	19%	0.192	C	C	.	.	S	Bend	trans	-69.9	-18.5	171.5	-65.2	179.2	0	0	0	112.5	L62 D63 G67 L69 Y508 Q517	L62-L82 HydrophobicContact CD1-CD1 3.71Å; L62-L82 HydrophobicContact CD1-CD2 3.5Å; L62-L82 VanDerWaalsContact CD1-CD2 3.5Å; L62-L82 HydrophobicContact CD1-CG 4.3Å; D63-L82 WeakPolarHBondContact O-CD1 3.34Å; G67-L82 VanDerWaalsContact C-CG 3.48Å; G67-L82 WeakPolarHBondContact O-CB 3.24Å; G67-L82 WeakPolarHBondContact O-CG 3.37Å; G67-L82 PolarHBondContact O-N 2.93Å; L69-L82 HydrophobicContact CB-CD2 3.75Å; L82-Y508 HydrophobicContact CD2-CE1 3.88Å; L82-Y508 HydrophobicContact CD2-CE2 3.91Å; L82-Y508 VanDerWaalsContact CD2-CZ 3.48Å; L82-Y508 WeakPolarHBondContact CD2-OH 3.21Å; L82-Y508 PolarHBondContact O-OH 2.81Å; L82-Q517 PolarHBondContact O-NE2 3.35Å
83	D	93.3	Very high	94.3	Very high	102 Å²	102	46 Å²	46	55%	0.545	22%	0.219	S	C	.	.	S	Bend	trans	-78.7	-27.8	177.3	-63.3	-36.9	0	0	0	111.8	R47 S81 R504	R47-D83 PolarHBondContact NH1-O 2.71Å; S81-D83 PolarHBondContact O-N 2.79Å; S81-D83 PolarHBondContact OG-N 2.96Å; D83-R504 IonicContact OD1-CZ 3.9Å; D83-R504 IonicContact OD1-NH1 2.68Å; D83-R504 PolarHBondContact OD1-NH1 3.4Å; D83-R504 IonicContact OD1-NH2 3.16Å; D83-R504 PolarHBondContact OD1-NH2 3.14Å
84	N	92.9	Very high	94.2	Very high	34 Å²	34	47.1 Å²	47.1	18%	0.182	22%	0.224	C	C	.	.			trans	-164.3	110.9	164.2	-175.9	-4.5	0	0	0	110.9	S81 A86 K87	S81-N84 CarbonylContact O-C 3.58Å; S81-N84 PolarHBondContact O-N 2.84Å; N84-A86 PolarHBondContact O-N 3.33Å; N84-A86 VanDerWaalsContact O-N 3.08Å; N84-A86 WeakPolarHBondContact OD1-CB 3.38Å; N84-A86 PolarHBondContact OD1-N 3.3Å; N84-A86 VanDerWaalsContact OD1-N 3.1Å; N84-K87 PolarHBondContact O-N 3.45Å; N84-K87 VanDerWaalsContact O-N 3.17Å
85	I	94.7	Very high	94.1	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.3	-177.3	64.9	164.6	0	0	0	114.3	R47 F49 L69 L80 S81 K87 Y508 I515 Q517	R47-I85 HydrophobicContact CB-CG1 4.45Å; F49-I85 HydrophobicContact CB-CD1 4.12Å; F49-I85 HydrophobicContact CB-CG1 4.34Å; F49-I85 WeakPolarHBondContact CD2-O 3.48Å; L69-I85 HydrophobicContact CD2-CG2 4.37Å; L80-I85 HydrophobicContact CB-CB 4.42Å; L80-I85 HydrophobicContact CD1-CB 4.29Å; S81-I85 WeakPolarHBondContact O-CA 3.44Å; S81-I85 PolarHBondContact O-N 2.84Å; S81-I85 VanDerWaalsContact O-N 3.13Å; I85-K87 PolarHBondContact O-N 2.92Å; I85-Y508 HydrophobicContact CG2-CD1 4Å; I85-Y508 HydrophobicContact CG2-CE1 3.82Å; I85-I515 HydrophobicContact CD1-CB 4.32Å; I85-I515 HydrophobicContact CD1-CG2 3.99Å; I85-I515 WeakPolarHBondContact CD1-O 3.36Å; I85-Q517 HydrophobicContact CD1-CB 3.74Å; I85-Q517 HydrophobicContact CG1-CB 3.81Å; I85-Q517 HydrophobicContact CG2-CB 4.12Å
86	A	91.7	Very high	94.1	Very high	48 Å²	48	47.3 Å²	47.3	40%	0.397	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	12.5	179.8	0	0	0	0	0	113.4	R48 N84	R48-A86 VanDerWaalsContact O-CB 3.28Å; R48-A86 WeakPolarHBondContact O-CB 3.3Å; N84-A86 PolarHBondContact O-N 3.33Å; N84-A86 VanDerWaalsContact O-N 3.08Å; N84-A86 WeakPolarHBondContact OD1-CB 3.38Å; N84-A86 PolarHBondContact OD1-N 3.3Å; N84-A86 VanDerWaalsContact OD1-N 3.1Å
87	K	88.9	Confident	94	Very high	131 Å²	131	48.6 Å²	48.6	57%	0.57	24%	0.241	S	C	*	.	S	Bend	trans	-147.4	157.5	-178	-63.8	-168.7	176.5	-168.3	0	111.4	N84 I85 E89	N84-K87 PolarHBondContact O-N 3.45Å; N84-K87 VanDerWaalsContact O-N 3.17Å; I85-K87 PolarHBondContact O-N 2.92Å; K87-E89 PolarHBondContact O-N 3.3Å
88	Q	83.5	Confident	94	Very high	126 Å²	126	52.7 Å²	52.7	59%	0.589	27%	0.266	S	S	*	.	S	Bend	trans	57.5	36.4	173.5	-58.6	173.1	-53.2	0	0	112.8	R68 H90	R68-Q88 PolarHBondContact NH1-O 2.89Å; Q88-H90 PolarHBondContact O-CD2 2.99Å
89	E	90.4	Very high	93.9	Very high	84 Å²	84	58 Å²	58	39%	0.393	29%	0.294	S	S	.	.			trans	-71.2	137	174.7	75.9	-72.8	-177.4	0	0	111.5	F49 S79 L80 K87	F49-E89 HydrophobicContact CE2-CB 3.83Å; F49-E89 HydrophobicContact CE2-CG 3.89Å; F49-E89 HydrophobicContact CZ-CB 4.38Å; F49-E89 HydrophobicContact CZ-CG 4.37Å; S79-E89 WeakPolarHBondContact O-CA 3.49Å; L80-E89 HydrophobicContact CD2-CB 3.51Å; K87-E89 PolarHBondContact O-N 3.3Å
90	H	93.2	Very high	93.9	Very high	57 Å²	57	61.6 Å²	61.6	26%	0.264	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	141.1	163.6	-50.2	-90.9	0	0	0	108.1	R68 L78 S79 Q88 H158 F160	R68-H90 PolarHBondContact NH1-CD2 3.42Å; R68-H90 VanDerWaalsContact NH1-CD2 3.33Å; R68-H90 PolarHBondContact NH2-CD2 3.19Å; R68-H90 PolarHBondContact NH2-NE2 3.01Å; L78-H90 CarbonylContact C-O 3.47Å; L78-H90 WeakPolarHBondContact CA-O 3.25Å; S79-H90 PolarHBondContact N-O 2.86Å; S79-H90 PolarHBondContact O-N 3.16Å; Q88-H90 PolarHBondContact O-CD2 2.99Å; H90-H158 AromaticContact CD2-CD2 3.5Å; H90-H158 AromaticContact NE2-CD2 3.93Å; H90-F160 HydrophobicContact CB-CB 4.19Å; H90-F160 HydrophobicContact CB-CD1 3.67Å; H90-F160 HydrophobicContact CB-CE1 4.47Å; H90-F160 HydrophobicContact CB-CG 4.27Å; H90-F160 WeakPolarHBondContact O-CE1 3.33Å
91	K	94.3	Very high	94	Very high	121 Å²	121	65.2 Å²	65.2	53%	0.526	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	133	-175.1	63	-167	175.1	-164	0	111.4	L51 F76 L77 L78	L51-K91 HydrophobicContact CD1-CD 4.5Å; F76-K91 HydrophobicContact CD1-CB 4.38Å; L77-K91 WeakPolarHBondContact O-CA 3.49Å; L78-K91 HydrophobicContact CD2-CB 3.5Å
92	I	95.8	Very high	94.1	Very high	22 Å²	22	69.3 Å²	69.3	11%	0.113	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	119.6	171.2	-59.6	165.1	0	0	0	106.4	F76 L77 V145 F160 I162	F76-I92 WeakPolarHBondContact CA-O 3.41Å; L77-I92 HydrophobicContact CD2-CD1 4.37Å; L77-I92 PolarHBondContact N-O 2.83Å; L77-I92 PolarHBondContact O-N 2.88Å; I92-V145 HydrophobicContact CD1-CG1 3.73Å; I92-F160 HydrophobicContact CD1-CD1 3.79Å; I92-F160 HydrophobicContact CD1-CD2 4.11Å; I92-F160 HydrophobicContact CD1-CE1 3.76Å; I92-F160 HydrophobicContact CD1-CE2 4.08Å; I92-F160 HydrophobicContact CD1-CG 3.98Å; I92-F160 HydrophobicContact CD1-CZ 3.91Å; I92-F160 HydrophobicContact CG1-CD1 3.71Å; I92-F160 HydrophobicContact CG1-CE1 3.74Å; I92-F160 HydrophobicContact CG1-CG 4.33Å; I92-F160 HydrophobicContact CG1-CZ 4.37Å; I92-I162 HydrophobicContact CD1-CG1 4.28Å; I92-I162 HydrophobicContact CG2-CD1 4.16Å; I92-I162 HydrophobicContact CG2-CG1 4.44Å
93	Y	96.1	Very high	94.1	Very high	146 Å²	146	73.3 Å²	73.3	57%	0.573	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	116.5	170.6	-176.9	-127.3	0	0	0	108.5	N75 F76 P95	N75-Y93 HydrophobicContact CB-CD2 4.23Å; N75-Y93 HydrophobicContact CB-CE2 3.78Å; N75-Y93 VanDerWaalsContact O-CD2 3.31Å; N75-Y93 WeakPolarHBondContact O-CD2 3.42Å; F76-Y93 HydrophobicContact CD1-CD2 4.09Å; F76-Y93 HydrophobicContact CD2-CD2 4.48Å; F76-Y93 AromaticContact CE1-CD2 3.56Å; F76-Y93 HydrophobicContact CE1-CD2 3.56Å; F76-Y93 HydrophobicContact CE1-CG 4.05Å; F76-Y93 AromaticContact CE2-CD2 4Å; F76-Y93 HydrophobicContact CE2-CD2 4Å; F76-Y93 HydrophobicContact CE2-CE2 4.34Å; F76-Y93 AromaticContact CZ-CD2 3.5Å; F76-Y93 HydrophobicContact CZ-CD2 3.5Å; F76-Y93 HydrophobicContact CZ-CE2 4.11Å; F76-Y93 HydrophobicContact CZ-CG 4.32Å; Y93-P95 HydrophobicContact CD1-CG 4.08Å; Y93-P95 HydrophobicContact CE1-CB 4.25Å; Y93-P95 HydrophobicContact CE1-CG 3.6Å; Y93-P95 HydrophobicContact CE2-CB 4.24Å; Y93-P95 HydrophobicContact CE2-CG 4.33Å
94	W	95.9	Very high	94.2	Very high	24 Å²	24	68.6 Å²	68.6	9%	0.091	33%	0.334	C	S	.	.			trans	-131.8	68.8	-175.5	-173	23.9	0	0	0	110.1	N75 N117 V119 A132 A143 I162	N75-W94 PolarHBondContact O-N 3.47Å; W94-N117 VanDerWaalsContact O-CB 3.31Å; W94-N117 WeakPolarHBondContact O-CB 3.36Å; W94-N117 PolarHBondContact O-ND2 2.98Å; W94-V119 HydrophobicContact CE3-CG2 3.79Å; W94-V119 HydrophobicContact CZ3-CG2 4.1Å; W94-A132 HydrophobicContact CZ3-CB 4.14Å; W94-A143 HydrophobicContact CH2-CB 4.05Å; W94-A143 HydrophobicContact CZ2-CB 3.92Å; W94-I162 HydrophobicContact CD2-CD1 3.83Å; W94-I162 HydrophobicContact CE3-CD1 3.82Å; W94-I162 HydrophobicContact CG-CD1 4.23Å; W94-I162 HydrophobicContact CZ3-CD1 4.26Å
95	P	95.8	Very high	94.4	Very high	46 Å²	46	70.2 Å²	70.2	30%	0.299	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-73	168.1	174.2	35.4	-38.6	0	0	0	111.3	N75 Y93	N75-P95 HydrophobicContact CB-CB 4.49Å; Y93-P95 HydrophobicContact CD1-CG 4.08Å; Y93-P95 HydrophobicContact CE1-CB 4.25Å; Y93-P95 HydrophobicContact CE1-CG 3.6Å; Y93-P95 HydrophobicContact CE2-CB 4.24Å; Y93-P95 HydrophobicContact CE2-CG 4.33Å
96	A	95.9	Very high	94.4	Very high	9 Å²	9	79.5 Å²	79.5	7%	0.074	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-74.5	148.2	164.3	0	0	0	0	0	111	R101 A137	A96-R101 HydrophobicContact CB-CG 3.87Å; A96-A137 HydrophobicContact CB-CB 3.53Å
97	P	95.4	Very high	94.5	Very high	60 Å²	60	79.7 Å²	79.7	39%	0.39	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-50.8	155.3	167.9	-26	35	0	0	0	113	W100 R101	P97-W100 HydrophobicContact CB-CD2 4.37Å; P97-W100 HydrophobicContact CB-CG 4.47Å; P97-W100 VanDerWaalsContact CD-CE3 3.41Å; P97-W100 HydrophobicContact CG-CD2 3.95Å; P97-W100 HydrophobicContact CG-CE3 3.8Å; P97-W100 HydrophobicContact CG-CH2 4.35Å; P97-W100 HydrophobicContact CG-CZ2 4.5Å; P97-W100 HydrophobicContact CG-CZ3 4Å; P97-R101 VanDerWaalsContact O-CG 3.31Å; P97-R101 WeakPolarHBondContact O-CG 3.32Å; P97-R101 PolarHBondContact O-N 3.44Å
98	V	96.1	Very high	94.8	Very high	86 Å²	86	76.8 Å²	76.8	52%	0.521	39%	0.387	S	S	.	.	H	α-helix	trans	-61.6	-48.7	-178.8	-179.6	0	0	0	0	110.7	W100 R101 E102	V98-W100 PolarHBondContact O-N 3.38Å; V98-R101 CarbonylContact O-C 3.6Å; V98-R101 WeakPolarHBondContact O-CA 3.48Å; V98-R101 WeakPolarHBondContact O-CB 3.35Å; V98-R101 PolarHBondContact O-N 3.2Å; V98-E102 HydrophobicContact CG1-CG 4.35Å; V98-E102 PolarHBondContact O-N 2.87Å
99	D	96.6	Very high	95.3	Very high	111 Å²	111	72.7 Å²	72.7	59%	0.594	37%	0.367	S	S	*	.	H	α-helix	trans	-54.9	-50	-175.7	-40.9	-12.9	0	0	0	111.7	R101 E102 E103	D99-R101 VanDerWaalsContact C-N 3.26Å; D99-R101 PolarHBondContact O-N 3.04Å; D99-E102 PolarHBondContact O-N 3.45Å; D99-E103 PolarHBondContact O-N 3.26Å
100	W	96.1	Very high	95.5	Very high	76 Å²	76	72.1 Å²	72.1	29%	0.288	37%	0.367	S	S	.	.	H	α-helix	trans	-63.7	-28.9	176.5	-60.8	-9.7	0	0	0	113.1	P97 V98 C104 H139 T141	P97-W100 HydrophobicContact CB-CD2 4.37Å; P97-W100 HydrophobicContact CB-CG 4.47Å; P97-W100 VanDerWaalsContact CD-CE3 3.41Å; P97-W100 HydrophobicContact CG-CD2 3.95Å; P97-W100 HydrophobicContact CG-CE3 3.8Å; P97-W100 HydrophobicContact CG-CH2 4.35Å; P97-W100 HydrophobicContact CG-CZ2 4.5Å; P97-W100 HydrophobicContact CG-CZ3 4Å; V98-W100 PolarHBondContact O-N 3.38Å; W100-C104 WeakPolarHBondContact O-CB 3.32Å; W100-C104 PolarHBondContact O-N 3.41Å; W100-H139 HydrophobicContact CB-CB 4.38Å; W100-H139 AromaticContact CD1-CE1 3.73Å; W100-H139 AromaticContact CD1-ND1 3.57Å; W100-H139 HydrophobicContact CD2-CB 3.61Å; W100-H139 AromaticContact CD2-CG 3.75Å; W100-H139 AromaticContact CD2-ND1 3.82Å; W100-H139 AromaticContact CE2-ND1 3.99Å; W100-H139 HydrophobicContact CE3-CB 3.39Å; W100-H139 HydrophobicContact CG-CB 4.05Å; W100-H139 AromaticContact CG-CE1 3.94Å; W100-H139 AromaticContact CG-CG 3.66Å; W100-H139 AromaticContact CG-ND1 3.61Å; W100-H139 HydrophobicContact CZ3-CB 3.92Å; W100-H139 AromaticContact NE1-ND1 3.81Å; W100-T141 HydrophobicContact CH2-CG2 3.76Å; W100-T141 HydrophobicContact CZ3-CG2 3.63Å
101	R	97.1	Very high	95.5	Very high	76 Å²	76	72.1 Å²	72.1	29%	0.287	37%	0.368	S	S	.	.	H	α-helix	trans	-74.9	-32.3	174.5	-65.4	178.2	67.6	-129.3	-8.9	111.7	A96 P97 V98 D99 N105 I111 C115 A137	A96-R101 HydrophobicContact CB-CG 3.87Å; P97-R101 VanDerWaalsContact O-CG 3.31Å; P97-R101 WeakPolarHBondContact O-CG 3.32Å; P97-R101 PolarHBondContact O-N 3.44Å; V98-R101 CarbonylContact O-C 3.6Å; V98-R101 WeakPolarHBondContact O-CA 3.48Å; V98-R101 WeakPolarHBondContact O-CB 3.35Å; V98-R101 PolarHBondContact O-N 3.2Å; D99-R101 VanDerWaalsContact C-N 3.26Å; D99-R101 PolarHBondContact O-N 3.04Å; R101-N105 VanDerWaalsContact O-CB 3.29Å; R101-N105 WeakPolarHBondContact O-CB 3.46Å; R101-N105 PolarHBondContact O-N 3.23Å; R101-N105 VanDerWaalsContact O-N 3.08Å; R101-I111 HydrophobicContact CB-CD1 3.91Å; R101-I111 PolarHBondContact NH2-O 2.86Å; R101-I111 WeakPolarHBondContact O-CD1 3.49Å; R101-C115 HydrophobicContact CB-CB 4.34Å; R101-C115 WeakPolarHBondContact CD-O 3.29Å; R101-C115 WeakPolarHBondContact CG-O 2.94Å; R101-C115 PolarHBondContact NE-O 2.82Å; R101-A137 HydrophobicContact CG-CB 3.77Å
102	E	96.6	Very high	95.4	Very high	93 Å²	93	70.9 Å²	70.9	44%	0.435	37%	0.371	S	S	.	.	H	α-helix	trans	-72.1	-45	172.4	-65.4	-169.1	179.5	0	0	111.4	V98 D99 C104 N105 W106	V98-E102 HydrophobicContact CG1-CG 4.35Å; V98-E102 PolarHBondContact O-N 2.87Å; D99-E102 PolarHBondContact O-N 3.45Å; E102-C104 PolarHBondContact O-N 3.29Å; E102-N105 CarbonylContact O-C 3.44Å; E102-N105 PolarHBondContact O-N 3.35Å; E102-N105 VanDerWaalsContact O-N 3.14Å; E102-W106 HydrophobicContact CB-CH2 4.38Å; E102-W106 HydrophobicContact CB-CZ2 4.14Å; E102-W106 VanDerWaalsContact O-CG 3.26Å; E102-W106 PolarHBondContact O-N 3.46Å
103	E	96	Very high	95.2	Very high	88 Å²	88	72 Å²	72	41%	0.411	38%	0.38	S	S	.	.	H	α-helix	trans	-55.4	-48.5	171.4	-73.3	179.9	-122.9	0	0	111.9	D99 N105 W106 A107 H139	D99-E103 PolarHBondContact O-N 3.26Å; E103-N105 VanDerWaalsContact C-N 3.32Å; E103-N105 PolarHBondContact O-N 3.15Å; E103-W106 HydrophobicContact CG-CE3 4.42Å; E103-W106 HydrophobicContact CG-CZ3 4.37Å; E103-W106 PolarHBondContact O-N 2.93Å; E103-A107 PolarHBondContact O-N 3.33Å; E103-H139 IonicContact OE2-CE1 3.76Å; E103-H139 PolarHBondContact OE2-CE1 3.42Å; E103-H139 IonicContact OE2-NE2 3.87Å
104	C	95.9	Very high	95.1	Very high	3 Å²	3	66.6 Å²	66.6	2%	0.02	36%	0.361	C	S	.	.	H	α-helix	trans	-58.4	-40.8	175.3	170.3	0	0	0	0	112.8	W100 E102 A107 K109 C115 A137 F138	W100-C104 WeakPolarHBondContact O-CB 3.32Å; W100-C104 PolarHBondContact O-N 3.41Å; E102-C104 PolarHBondContact O-N 3.29Å; C104-A107 CarbonylContact O-C 3.37Å; C104-A107 WeakPolarHBondContact O-CB 3.5Å; C104-A107 PolarHBondContact O-N 3.35Å; C104-K109 WeakPolarHBondContact O-CB 3.44Å; C104-K109 PolarHBondContact O-N 2.85Å; C104-K109 VanDerWaalsContact SG-CB 3.56Å; C104-C115 HydrophobicContact CB-CB 3.75Å; C104-C115 WeakPolarHBondContact CB-SG 3.49Å; C104-C115 WeakPolarHBondContact SG-CA 3.42Å; C104-C115 WeakPolarHBondContact SG-CB 3.31Å; C104-C115 CovalentContact SG-SG 2.04Å; C104-C115 PolarHBondContact SG-SG 3.44Å; C104-A137 HydrophobicContact CB-CB 4.46Å; C104-A137 WeakPolarHBondContact CB-O 3.3Å; C104-F138 VanDerWaalsContact SG-CD2 3.57Å
105	N	96.4	Very high	95.1	Very high	68 Å²	68	65.4 Å²	65.4	36%	0.364	36%	0.357	S	S	.	.	H	α-helix	trans	-71.9	-36.8	177.5	174.5	88.2	0	0	0	112	R101 E102 E103 A107 G108 I111 C115	R101-N105 VanDerWaalsContact O-CB 3.29Å; R101-N105 WeakPolarHBondContact O-CB 3.46Å; R101-N105 PolarHBondContact O-N 3.23Å; R101-N105 VanDerWaalsContact O-N 3.08Å; E102-N105 CarbonylContact O-C 3.44Å; E102-N105 PolarHBondContact O-N 3.35Å; E102-N105 VanDerWaalsContact O-N 3.14Å; E103-N105 VanDerWaalsContact C-N 3.32Å; E103-N105 PolarHBondContact O-N 3.15Å; N105-A107 VanDerWaalsContact C-N 3.26Å; N105-A107 PolarHBondContact O-N 3.16Å; N105-G108 PolarHBondContact O-N 2.97Å; N105-I111 HydrophobicContact CB-CB 4.47Å; N105-I111 HydrophobicContact CB-CD1 4.2Å; N105-C115 PolarHBondContact N-SG 2.77Å
106	W	95.4	Very high	95.2	Very high	194 Å²	194	63.5 Å²	63.5	74%	0.735	34%	0.344	S	S	*	.	H	α-helix	trans	-65.4	-29.6	170.3	-61.2	-26.3	0	0	0	112.3	E102 E103 G108	E102-W106 HydrophobicContact CB-CH2 4.38Å; E102-W106 HydrophobicContact CB-CZ2 4.14Å; E102-W106 VanDerWaalsContact O-CG 3.26Å; E102-W106 PolarHBondContact O-N 3.46Å; E103-W106 HydrophobicContact CG-CE3 4.42Å; E103-W106 HydrophobicContact CG-CZ3 4.37Å; E103-W106 PolarHBondContact O-N 2.93Å; W106-G108 PolarHBondContact O-N 2.98Å
107	A	93.4	Very high	95.3	Very high	53 Å²	53	63.1 Å²	63.1	44%	0.438	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	7.8	169	0	0	0	0	0	114.2	E103 C104 N105 L199	E103-A107 PolarHBondContact O-N 3.33Å; C104-A107 CarbonylContact O-C 3.37Å; C104-A107 WeakPolarHBondContact O-CB 3.5Å; C104-A107 PolarHBondContact O-N 3.35Å; N105-A107 VanDerWaalsContact C-N 3.26Å; N105-A107 PolarHBondContact O-N 3.16Å; A107-L199 HydrophobicContact CB-CD2 4.36Å
108	G	94.2	Very high	95.4	Very high	70 Å²	70	61.3 Å²	61.3	72%	0.722	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	22.6	172.1	0	0	0	0	0	115.1	N105 W106	N105-G108 PolarHBondContact O-N 2.97Å; W106-G108 PolarHBondContact O-N 2.98Å
109	K	94.5	Very high	95.5	Very high	39 Å²	39	57.2 Å²	57.2	17%	0.17	30%	0.302	C	S	.	.			trans	-95.6	155.2	173.6	-56	-69.4	-172.6	165.4	0	110.6	C104 I111 D114 C115 F138 D177	C104-K109 WeakPolarHBondContact O-CB 3.44Å; C104-K109 PolarHBondContact O-N 2.85Å; C104-K109 VanDerWaalsContact SG-CB 3.56Å; K109-I111 PolarHBondContact O-N 2.74Å; K109-D114 HydrophobicContact CB-CB 3.98Å; K109-C115 VanDerWaalsContact CB-SG 3.59Å; K109-F138 HydrophobicContact CB-CE2 4.38Å; K109-F138 HydrophobicContact CD-CE1 4.11Å; K109-F138 HydrophobicContact CD-CE2 3.92Å; K109-F138 HydrophobicContact CD-CZ 3.61Å; K109-F138 VanDerWaalsContact CE-CZ 3.42Å; K109-F138 HydrophobicContact CG-CD2 4.28Å; K109-F138 HydrophobicContact CG-CE2 3.93Å; K109-F138 HydrophobicContact CG-CZ 4.12Å; K109-D177 IonicContact NZ-OD2 3.99Å; K109-D177 PolarHBondContact NZ-OD2 3.49Å
110	D	94.6	Very high	95.5	Very high	73 Å²	73	53.4 Å²	53.4	39%	0.39	28%	0.28	S	S	.	.			trans	-73.9	127.2	179.8	-175.3	-84.3	0	0	0	112.5	T112 S113 D114 C115	D110-T112 PolarHBondContact O-N 2.91Å; D110-T112 VanDerWaalsContact O-N 3.15Å; D110-T112 VanDerWaalsContact OD1-CA 3.26Å; D110-T112 WeakPolarHBondContact OD1-CA 3.38Å; D110-T112 WeakPolarHBondContact OD1-CB 3.42Å; D110-T112 PolarHBondContact OD1-N 2.91Å; D110-T112 PolarHBondContact OD1-OG1 2.91Å; D110-S113 WeakPolarHBondContact CB-OG 3.47Å; D110-S113 PolarHBondContact OD1-N 2.95Å; D110-D114 HydrophobicContact CB-CB 4.42Å; D110-D114 WeakPolarHBondContact O-CA 3.1Å; D110-D114 WeakPolarHBondContact O-CB 3.31Å; D110-D114 PolarHBondContact O-N 3.14Å; D110-C115 PolarHBondContact O-N 2.89Å
111	I	94.5	Very high	95.5	Very high	57 Å²	57	50 Å²	50	29%	0.292	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-18.3	-177.2	-169.7	56.3	0	0	0	114.4	R101 N105 K109 C115	R101-I111 HydrophobicContact CB-CD1 3.91Å; R101-I111 PolarHBondContact NH2-O 2.86Å; R101-I111 WeakPolarHBondContact O-CD1 3.49Å; N105-I111 HydrophobicContact CB-CB 4.47Å; N105-I111 HydrophobicContact CB-CD1 4.2Å; K109-I111 PolarHBondContact O-N 2.74Å; I111-C115 HydrophobicContact CD1-CB 4.13Å
112	T	91.1	Very high	95.6	Very high	95 Å²	95	46.8 Å²	46.8	58%	0.583	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	-41.1	-175.1	77.5	0	0	0	0	113.4	K74 D110	K74-T112 PolarHBondContact NZ-O 3.17Å; D110-T112 PolarHBondContact O-N 2.91Å; D110-T112 VanDerWaalsContact O-N 3.15Å; D110-T112 VanDerWaalsContact OD1-CA 3.26Å; D110-T112 WeakPolarHBondContact OD1-CA 3.38Å; D110-T112 WeakPolarHBondContact OD1-CB 3.42Å; D110-T112 PolarHBondContact OD1-N 2.91Å; D110-T112 PolarHBondContact OD1-OG1 2.91Å
113	S	91.9	Very high	95.6	Very high	45 Å²	45	44.1 Å²	44.1	32%	0.315	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-50	177.4	66.6	0	0	0	0	111.7	K74 D110 V116 Y118	K74-S113 PolarHBondContact NZ-O 2.8Å; K74-S113 VanDerWaalsContact NZ-O 3.15Å; D110-S113 WeakPolarHBondContact CB-OG 3.47Å; D110-S113 PolarHBondContact OD1-N 2.95Å; S113-V116 WeakPolarHBondContact O-CG2 3.49Å; S113-Y118 VanDerWaalsContact O-CE2 3.27Å; S113-Y118 WeakPolarHBondContact O-CE2 3.45Å; S113-Y118 PolarHBondContact O-OH 2.94Å; S113-Y118 VanDerWaalsContact O-OH 3.11Å
114	D	93.9	Very high	95.6	Very high	32 Å²	32	43.5 Å²	43.5	17%	0.171	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-45.2	-160.8	-69.4	11.6	0	0	0	112.2	K109 D110 V116 F138	K109-D114 HydrophobicContact CB-CB 3.98Å; D110-D114 HydrophobicContact CB-CB 4.42Å; D110-D114 WeakPolarHBondContact O-CA 3.1Å; D110-D114 WeakPolarHBondContact O-CB 3.31Å; D110-D114 PolarHBondContact O-N 3.14Å; D114-V116 PolarHBondContact O-N 2.84Å; D114-F138 HydrophobicContact CB-CE2 4.04Å
115	C	96.6	Very high	95.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-81.2	63.3	179.7	-54.9	0	0	0	0	111.9	R101 C104 N105 K109 D110 I111 A137	R101-C115 HydrophobicContact CB-CB 4.34Å; R101-C115 WeakPolarHBondContact CD-O 3.29Å; R101-C115 WeakPolarHBondContact CG-O 2.94Å; R101-C115 PolarHBondContact NE-O 2.82Å; C104-C115 HydrophobicContact CB-CB 3.75Å; C104-C115 WeakPolarHBondContact CB-SG 3.49Å; C104-C115 WeakPolarHBondContact SG-CA 3.42Å; C104-C115 WeakPolarHBondContact SG-CB 3.31Å; C104-C115 CovalentContact SG-SG 2.04Å; C104-C115 PolarHBondContact SG-SG 3.44Å; N105-C115 PolarHBondContact N-SG 2.77Å; K109-C115 VanDerWaalsContact CB-SG 3.59Å; D110-C115 PolarHBondContact O-N 2.89Å; I111-C115 HydrophobicContact CD1-CB 4.13Å; C115-A137 VanDerWaalsContact C-CB 3.45Å; C115-A137 HydrophobicContact CB-CB 4.18Å
116	V	96.5	Very high	95.3	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.03	26%	0.255	C	S	.	.	S	Bend	trans	-143.9	167.1	176.5	-61.5	0	0	0	0	109.7	K74 S113 D114 Y118 T135 A137	K74-V116 HydrophobicContact CD-CG2 4.4Å; K74-V116 HydrophobicContact CG-CG2 4.03Å; S113-V116 WeakPolarHBondContact O-CG2 3.49Å; D114-V116 PolarHBondContact O-N 2.84Å; V116-Y118 HydrophobicContact CG2-CD2 3.62Å; V116-Y118 HydrophobicContact CG2-CE2 3.19Å; V116-T135 PolarHBondContact O-OG1 2.86Å; V116-T135 VanDerWaalsContact O-OG1 3.09Å; V116-A137 WeakPolarHBondContact O-CA 3.43Å; V116-A137 PolarHBondContact O-N 2.83Å
117	N	97.4	Very high	95	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	25%	0.253	C	S	.	.			trans	-89	110.5	174.6	-172.6	22.1	0	0	0	110.4	N75 W94 G134 T135 G136	N75-N117 WeakPolarHBondContact CA-O 3.45Å; N75-N117 PolarHBondContact N-O 3.46Å; N75-N117 PolarHBondContact OD1-N 3.33Å; N75-N117 PolarHBondContact OD1-O 2.8Å; W94-N117 VanDerWaalsContact O-CB 3.31Å; W94-N117 WeakPolarHBondContact O-CB 3.36Å; W94-N117 PolarHBondContact O-ND2 2.98Å; N117-G134 VanDerWaalsContact OD1-CA 3.31Å; N117-G134 WeakPolarHBondContact OD1-CA 3.27Å; N117-T135 PolarHBondContact OD1-N 2.87Å; N117-T135 VanDerWaalsContact OD1-N 3.15Å; N117-G136 PolarHBondContact OD1-N 2.86Å
118	Y	97.8	Very high	94.9	Very high	22 Å²	22	47.8 Å²	47.8	9%	0.086	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-92.4	115.9	165.4	-74.4	-92.7	0	0	0	108.6	C56 K74 S113 V116 K120 G134 T135 P178	C56-Y118 HydrophobicContact CB-CD1 4.09Å; C56-Y118 HydrophobicContact CB-CE1 3.79Å; K74-Y118 HydrophobicContact CB-CD1 4.08Å; K74-Y118 HydrophobicContact CB-CE1 3.79Å; K74-Y118 HydrophobicContact CD-CE1 4.18Å; K74-Y118 HydrophobicContact CG-CD1 4.48Å; K74-Y118 HydrophobicContact CG-CE1 3.98Å; K74-Y118 PolarHBondContact NZ-OH 3.44Å; K74-Y118 VanDerWaalsContact NZ-OH 3.08Å; S113-Y118 VanDerWaalsContact O-CE2 3.27Å; S113-Y118 WeakPolarHBondContact O-CE2 3.45Å; S113-Y118 PolarHBondContact O-OH 2.94Å; S113-Y118 VanDerWaalsContact O-OH 3.11Å; V116-Y118 HydrophobicContact CG2-CD2 3.62Å; V116-Y118 HydrophobicContact CG2-CE2 3.19Å; Y118-K120 PolarHBondContact O-N 2.72Å; Y118-G134 CarbonylContact O-C 3.57Å; Y118-G134 WeakPolarHBondContact O-CA 3.42Å; Y118-T135 PolarHBondContact N-OG1 2.02Å; Y118-T135 PolarHBondContact O-N 2.85Å; Y118-P178 HydrophobicContact CD2-CB 3.34Å; Y118-P178 HydrophobicContact CD2-CG 4.05Å; Y118-P178 HydrophobicContact CE2-CB 3.67Å; Y118-P178 HydrophobicContact CE2-CG 4.01Å; Y118-P178 HydrophobicContact CG-CB 3.87Å
119	V	97.9	Very high	94.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	116	172.8	-177.4	0	0	0	0	108.5	A73 L77 W94 V122 C133	A73-V119 PolarHBondContact O-N 2.9Å; L77-V119 HydrophobicContact CD1-CG1 3.92Å; W94-V119 HydrophobicContact CE3-CG2 3.79Å; W94-V119 HydrophobicContact CZ3-CG2 4.1Å; V119-V122 HydrophobicContact CG1-CG2 4.13Å; V119-C133 CarbonylContact C-O 3.53Å
120	K	96.9	Very high	95	Very high	32 Å²	32	45 Å²	45	14%	0.139	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-20.2	-172.9	-73.2	-62.6	-167.5	174.1	0	114	A59 Y118 C133 T135 P175 P178	A59-K120 VanDerWaalsContact CB-C 3.49Å; A59-K120 WeakPolarHBondContact CB-O 3.41Å; Y118-K120 PolarHBondContact O-N 2.72Å; K120-C133 PolarHBondContact N-O 2.8Å; K120-T135 HydrophobicContact CG-CG2 4.1Å; K120-P175 HydrophobicContact CG-CG 4.14Å; K120-P178 VanDerWaalsContact CE-O 3.28Å; K120-P178 WeakPolarHBondContact CE-O 3.32Å; K120-P178 PolarHBondContact NZ-O 2.96Å
121	I	97.2	Very high	95.2	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.015	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	135.2	-171.4	-64.5	152	0	0	0	108.7	H123 A132 C133 K173 A182 T184	I121-H123 VanDerWaalsContact CG2-CD2 3.45Å; I121-H123 WeakPolarHBondContact CG2-CD2 3.49Å; I121-A132 CarbonylContact O-C 3.52Å; I121-A132 VanDerWaalsContact O-CA 3.24Å; I121-A132 WeakPolarHBondContact O-CA 3.43Å; I121-C133 HydrophobicContact CB-CB 4.13Å; I121-C133 HydrophobicContact CD1-CB 4.09Å; I121-C133 PolarHBondContact N-O 3Å; I121-C133 VanDerWaalsContact N-O 3.15Å; I121-C133 PolarHBondContact O-N 2.74Å; I121-K173 WeakPolarHBondContact CD1-O 3.38Å; I121-A182 HydrophobicContact CD1-CB 4.08Å; I121-A182 HydrophobicContact CG1-CB 4.21Å; I121-T184 HydrophobicContact CD1-CG2 3.69Å; I121-T184 HydrophobicContact CG1-CG2 3.88Å
122	V	97.8	Very high	95.3	Very high	10 Å²	10	38.8 Å²	38.8	6%	0.061	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	121	170.5	-168.5	0	0	0	0	108	A59 L61 F70 L77 V119 L130 Y131	A59-V122 HydrophobicContact CB-CG2 4.24Å; L61-V122 HydrophobicContact CB-CB 4.29Å; L61-V122 HydrophobicContact CB-CG1 4.21Å; L61-V122 HydrophobicContact CD2-CG1 3.93Å; F70-V122 HydrophobicContact CB-CG1 4.21Å; L77-V122 HydrophobicContact CD1-CG1 4.38Å; L77-V122 HydrophobicContact CD1-CG2 3.57Å; V119-V122 HydrophobicContact CG1-CG2 4.13Å; V122-L130 HydrophobicContact CG1-CD1 3.99Å; V122-Y131 CarbonylContact C-O 3.58Å; V122-Y131 WeakPolarHBondContact CA-O 3.29Å
123	H	97.7	Very high	95.7	Very high	36 Å²	36	34.3 Å²	34.3	17%	0.167	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	156	178.3	-74.2	-73.6	0	0	0	111.9	I121 Y125 L130 Y131 T184 L186	I121-H123 VanDerWaalsContact CG2-CD2 3.45Å; I121-H123 WeakPolarHBondContact CG2-CD2 3.49Å; H123-Y125 PolarHBondContact O-N 3.45Å; H123-L130 CarbonylContact O-C 3.54Å; H123-L130 VanDerWaalsContact O-CA 3.23Å; H123-L130 WeakPolarHBondContact O-CA 3.48Å; H123-L130 WeakPolarHBondContact O-CB 2.99Å; H123-Y131 PolarHBondContact N-O 3.42Å; H123-Y131 PolarHBondContact O-N 2.99Å; H123-T184 PolarHBondContact CE1-O 2.69Å; H123-T184 PolarHBondContact NE2-OG1 3.14Å; H123-L186 HydrophobicContact CB-CB 3.84Å; H123-L186 HydrophobicContact CB-CD2 3.55Å; H123-L186 HydrophobicContact CB-CG 4.36Å
124	H	95.9	Very high	95.9	Very high	75 Å²	75	32.1 Å²	32.1	35%	0.347	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	118.6	166.3	-66.8	-62.1	0	0	0	110.3	D63 L130 L186	D63-H124 IonicContact OD2-CE1 3.41Å; D63-H124 PolarHBondContact OD2-CE1 2.97Å; D63-H124 VanDerWaalsContact OD2-CE1 3.23Å; D63-H124 IonicContact OD2-ND1 3.28Å; H124-L130 VanDerWaalsContact ND1-CD2 3.33Å; H124-L130 WeakPolarHBondContact ND1-CD2 3.47Å; H124-L186 WeakPolarHBondContact O-CD2 3.47Å
125	Y	94.6	Very high	96.1	Very high	82 Å²	82	30.6 Å²	30.6	32%	0.322	14%	0.139	S	C	.	.			trans	-93.9	-46.6	175	179.9	-113.4	0	0	0	111.5	H123 H129 F144 L186 D189	H123-Y125 PolarHBondContact O-N 3.45Å; Y125-H129 WeakPolarHBondContact CB-O 3.34Å; Y125-H129 HydrophobicContact CD1-CB 4.35Å; Y125-H129 PolarHBondContact N-O 3.25Å; Y125-H129 VanDerWaalsContact N-O 3.1Å; Y125-F144 AromaticContact CD1-CD1 3.67Å; Y125-F144 HydrophobicContact CD1-CD1 3.67Å; Y125-F144 AromaticContact CD1-CE1 3.45Å; Y125-F144 HydrophobicContact CD1-CE1 3.45Å; Y125-F144 VanDerWaalsContact CD1-CE1 3.45Å; Y125-F144 AromaticContact CD2-CE1 3.9Å; Y125-F144 HydrophobicContact CD2-CE1 3.9Å; Y125-F144 AromaticContact CE1-CD1 3.94Å; Y125-F144 HydrophobicContact CE1-CD1 3.94Å; Y125-F144 AromaticContact CE1-CE1 3.39Å; Y125-F144 HydrophobicContact CE1-CE1 3.39Å; Y125-F144 HydrophobicContact CE1-CZ 4.18Å; Y125-F144 AromaticContact CE2-CE1 3.84Å; Y125-F144 HydrophobicContact CE2-CE1 3.84Å; Y125-F144 HydrophobicContact CE2-CZ 4.42Å; Y125-F144 HydrophobicContact CG-CD1 4.08Å; Y125-F144 AromaticContact CG-CE1 3.7Å; Y125-F144 HydrophobicContact CG-CE1 3.7Å; Y125-F144 AromaticContact CZ-CE1 3.59Å; Y125-L186 HydrophobicContact CD2-CD2 4.22Å; Y125-D189 HydrophobicContact CE2-CB 4.48Å
126	N	91.8	Very high	96.1	Very high	68 Å²	68	30.6 Å²	30.6	36%	0.364	14%	0.139	S	C	.	.	S	Bend	trans	-155	-169.4	171.8	65.3	46.7	0	0	0	110.5	T128 H129	N126-T128 VanDerWaalsContact C-N 3.25Å; N126-T128 PolarHBondContact O-N 2.89Å; N126-T128 PolarHBondContact OD1-N 3.12Å; N126-T128 PolarHBondContact OD1-OG1 3.44Å; N126-T128 VanDerWaalsContact OD1-OG1 3.08Å; N126-H129 PolarHBondContact N-O 3.41Å; N126-H129 VanDerWaalsContact O-O 3.13Å; N126-H129 PolarHBondContact OD1-N 2.93Å
127	R	89.4	Confident	96.1	Very high	184 Å²	184	30.4 Å²	30.4	69%	0.694	14%	0.138	S	C	*	.	S	Bend	trans	-69.7	-16.9	-175.7	-57.4	-167.1	81	-178	4.5	114.8	E65 R66	E65-R127 IonicContact OE1-CZ 3.51Å; E65-R127 IonicContact OE1-NE 3.6Å; E65-R127 IonicContact OE1-NH2 3.57Å; E65-R127 PolarHBondContact OE1-NH2 3.47Å; R66-R127 PolarHBondContact NH2-O 2.85Å
128	T	90.8	Very high	96	Very high	74 Å²	74	30.5 Å²	30.5	45%	0.454	14%	0.138	S	C	.	.	S	Bend	trans	-117.8	-6.9	-179.2	58.1	0	0	0	0	113.8	N126 E146 V147	N126-T128 VanDerWaalsContact C-N 3.25Å; N126-T128 PolarHBondContact O-N 2.89Å; N126-T128 PolarHBondContact OD1-N 3.12Å; N126-T128 PolarHBondContact OD1-OG1 3.44Å; N126-T128 VanDerWaalsContact OD1-OG1 3.08Å; T128-E146 CarbonylContact O-C 3.55Å; T128-E146 WeakPolarHBondContact O-CA 3Å; T128-V147 WeakPolarHBondContact CA-O 3.28Å; T128-V147 PolarHBondContact O-N 3.11Å
129	H	94.1	Very high	96	Very high	51 Å²	51	32 Å²	32	24%	0.236	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	138.9	-177	-67.5	78.5	0	0	0	113.2	Y125 N126 V145	Y125-H129 WeakPolarHBondContact CB-O 3.34Å; Y125-H129 HydrophobicContact CD1-CB 4.35Å; Y125-H129 PolarHBondContact N-O 3.25Å; Y125-H129 VanDerWaalsContact N-O 3.1Å; N126-H129 PolarHBondContact N-O 3.41Å; N126-H129 VanDerWaalsContact O-O 3.13Å; N126-H129 PolarHBondContact OD1-N 2.93Å; H129-V145 CarbonylContact C-O 3.59Å; H129-V145 VanDerWaalsContact CA-O 3.25Å; H129-V145 WeakPolarHBondContact CA-O 3.43Å
130	L	96.9	Very high	95.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	160.3	159.6	-48.2	178.3	0	0	0	109.7	L61 F70 V122 H123 H124 F144 V145 V147	L61-L130 HydrophobicContact CD2-CD2 4.03Å; F70-L130 HydrophobicContact CB-CD1 4.01Å; F70-L130 HydrophobicContact CD1-CD1 3.68Å; F70-L130 HydrophobicContact CD2-CD1 3.64Å; F70-L130 HydrophobicContact CD2-CD2 4.42Å; F70-L130 HydrophobicContact CE1-CD1 3.98Å; F70-L130 HydrophobicContact CE2-CD1 3.94Å; F70-L130 HydrophobicContact CE2-CD2 4.32Å; F70-L130 HydrophobicContact CG-CD1 3.49Å; F70-L130 VanDerWaalsContact CG-CD1 3.49Å; F70-L130 HydrophobicContact CZ-CD1 4.1Å; V122-L130 HydrophobicContact CG1-CD1 3.99Å; H123-L130 CarbonylContact O-C 3.54Å; H123-L130 VanDerWaalsContact O-CA 3.23Å; H123-L130 WeakPolarHBondContact O-CA 3.48Å; H123-L130 WeakPolarHBondContact O-CB 2.99Å; H124-L130 VanDerWaalsContact ND1-CD2 3.33Å; H124-L130 WeakPolarHBondContact ND1-CD2 3.47Å; L130-F144 WeakPolarHBondContact O-CA 3.16Å; L130-V145 HydrophobicContact CB-CB 4.16Å; L130-V145 HydrophobicContact CB-CG2 4.49Å; L130-V145 PolarHBondContact N-O 2.79Å; L130-V145 PolarHBondContact O-N 3.38Å; L130-V147 HydrophobicContact CD1-CG1 3.91Å; L130-V147 HydrophobicContact CD2-CG2 4.12Å; L130-V147 HydrophobicContact CG-CG1 3.84Å; L130-V147 HydrophobicContact CG-CG2 3.97Å
131	Y	97.6	Very high	95.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.8	163.6	-165	-109.6	0	0	0	109.1	V122 H123 C133 C142 F144 E168 K173 L191 L210	V122-Y131 CarbonylContact C-O 3.58Å; V122-Y131 WeakPolarHBondContact CA-O 3.29Å; H123-Y131 PolarHBondContact N-O 3.42Å; H123-Y131 PolarHBondContact O-N 2.99Å; Y131-C133 WeakPolarHBondContact CE1-SG 3.38Å; Y131-C142 HydrophobicContact CE1-CB 3.89Å; Y131-C142 HydrophobicContact CE2-CB 4.13Å; Y131-C142 VanDerWaalsContact CZ-CB 3.48Å; Y131-C142 WeakPolarHBondContact OH-CB 3.46Å; Y131-F144 AromaticContact CD2-CD1 3.71Å; Y131-F144 HydrophobicContact CD2-CD1 3.71Å; Y131-F144 AromaticContact CD2-CE1 3.42Å; Y131-F144 HydrophobicContact CD2-CE1 3.42Å; Y131-F144 VanDerWaalsContact CD2-CE1 3.42Å; Y131-F144 HydrophobicContact CD2-CE2 4.29Å; Y131-F144 HydrophobicContact CD2-CG 4.25Å; Y131-F144 AromaticContact CD2-CZ 3.74Å; Y131-F144 HydrophobicContact CD2-CZ 3.74Å; Y131-F144 HydrophobicContact CE2-CD1 4.39Å; Y131-F144 HydrophobicContact CE2-CD2 4.48Å; Y131-F144 AromaticContact CE2-CE1 3.9Å; Y131-F144 HydrophobicContact CE2-CE1 3.9Å; Y131-F144 HydrophobicContact CE2-CE2 4.02Å; Y131-F144 AromaticContact CE2-CZ 3.7Å; Y131-F144 HydrophobicContact CE2-CZ 3.7Å; Y131-F144 HydrophobicContact CG-CE1 4.45Å; Y131-E168 PolarHBondContact OH-OE2 2.91Å; Y131-K173 HydrophobicContact CE1-CD 4.32Å; Y131-K173 VanDerWaalsContact OH-CD 3.24Å; Y131-K173 WeakPolarHBondContact OH-CD 3.47Å; Y131-K173 WeakPolarHBondContact OH-CE 3.2Å; Y131-K173 PolarHBondContact OH-NZ 3.22Å; Y131-L191 HydrophobicContact CD1-CD2 4.32Å; Y131-L191 HydrophobicContact CE1-CD2 3.92Å; Y131-L210 HydrophobicContact CD1-CD1 4.22Å; Y131-L210 HydrophobicContact CD2-CD1 4.46Å; Y131-L210 HydrophobicContact CE1-CD1 3.84Å; Y131-L210 HydrophobicContact CE2-CD1 4.09Å
132	A	98.1	Very high	95.9	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	145.4	-179.9	0	0	0	0	0	110.9	L77 W94 I121 C142 A143 V145	L77-A132 HydrophobicContact CD1-CB 4.38Å; L77-A132 HydrophobicContact CD2-CB 4.3Å; W94-A132 HydrophobicContact CZ3-CB 4.14Å; I121-A132 CarbonylContact O-C 3.52Å; I121-A132 VanDerWaalsContact O-CA 3.24Å; I121-A132 WeakPolarHBondContact O-CA 3.43Å; A132-C142 CarbonylContact O-C 3.51Å; A132-C142 WeakPolarHBondContact O-CA 3.34Å; A132-A143 PolarHBondContact N-O 3.45Å; A132-A143 PolarHBondContact O-N 2.78Å; A132-V145 HydrophobicContact CB-CG2 3.79Å
133	C	98	Very high	95.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	153.2	175.8	-52.2	0	0	0	0	112.4	V119 K120 I121 Y131 T141 C142	V119-C133 CarbonylContact C-O 3.53Å; K120-C133 PolarHBondContact N-O 2.8Å; I121-C133 HydrophobicContact CB-CB 4.13Å; I121-C133 HydrophobicContact CD1-CB 4.09Å; I121-C133 PolarHBondContact N-O 3Å; I121-C133 VanDerWaalsContact N-O 3.15Å; I121-C133 PolarHBondContact O-N 2.74Å; Y131-C133 WeakPolarHBondContact CE1-SG 3.38Å; C133-T141 CarbonylContact C-O 3.41Å; C133-T141 VanDerWaalsContact CA-O 3.23Å; C133-T141 WeakPolarHBondContact CA-O 3.5Å; C133-T141 WeakPolarHBondContact CB-O 3.31Å; C133-C142 HydrophobicContact CB-CB 4.02Å; C133-C142 WeakPolarHBondContact CB-SG 3.28Å; C133-C142 WeakPolarHBondContact SG-CB 3.32Å; C133-C142 CovalentContact SG-SG 2.03Å; C133-C142 PolarHBondContact SG-SG 2.87Å
134	G	97.8	Very high	95.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	-177.8	175.1	0	0	0	0	0	114.4	N117 Y118 P140 T141 S174	N117-G134 VanDerWaalsContact OD1-CA 3.31Å; N117-G134 WeakPolarHBondContact OD1-CA 3.27Å; Y118-G134 CarbonylContact O-C 3.57Å; Y118-G134 WeakPolarHBondContact O-CA 3.42Å; G134-P140 WeakPolarHBondContact O-CA 3.3Å; G134-T141 PolarHBondContact N-O 2.69Å; G134-T141 PolarHBondContact O-N 2.71Å; G134-S174 PolarHBondContact O-OG 3.06Å
135	T	97.3	Very high	95.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.125	C	C	.	.			trans	-78	-20.4	-176.4	60.3	0	0	0	0	113.7	V116 N117 Y118 K120 A137 F138 H139 P175 P178	V116-T135 PolarHBondContact O-OG1 2.86Å; V116-T135 VanDerWaalsContact O-OG1 3.09Å; N117-T135 PolarHBondContact OD1-N 2.87Å; N117-T135 VanDerWaalsContact OD1-N 3.15Å; Y118-T135 PolarHBondContact N-OG1 2.02Å; Y118-T135 PolarHBondContact O-N 2.85Å; K120-T135 HydrophobicContact CG-CG2 4.1Å; T135-A137 VanDerWaalsContact C-N 3.26Å; T135-A137 PolarHBondContact O-N 3.42Å; T135-A137 VanDerWaalsContact O-N 3.13Å; T135-F138 WeakPolarHBondContact O-CA 3.33Å; T135-F138 PolarHBondContact O-N 2.96Å; T135-H139 CarbonylContact O-C 3.3Å; T135-H139 PolarHBondContact O-N 3.22Å; T135-H139 VanDerWaalsContact O-N 3.13Å; T135-P175 WeakPolarHBondContact CG2-O 3.19Å; T135-P178 HydrophobicContact CG2-CB 4.18Å
136	G	96.3	Very high	95.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	47.3	40.6	178.8	0	0	0	0	0	115.3	N117 H139	N117-G136 PolarHBondContact OD1-N 2.86Å; G136-H139 VanDerWaalsContact CA-O 3.32Å; G136-H139 WeakPolarHBondContact CA-O 3.48Å; G136-H139 WeakPolarHBondContact O-CB 3.36Å; G136-H139 PolarHBondContact O-N 2.8Å; G136-H139 VanDerWaalsContact O-N 3.1Å
137	A	96.9	Very high	95.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	56.3	48.1	-173.1	0	0	0	0	0	113.9	A96 R101 C104 C115 V116 T135 H139	A96-A137 HydrophobicContact CB-CB 3.53Å; R101-A137 HydrophobicContact CG-CB 3.77Å; C104-A137 HydrophobicContact CB-CB 4.46Å; C104-A137 WeakPolarHBondContact CB-O 3.3Å; C115-A137 VanDerWaalsContact C-CB 3.45Å; C115-A137 HydrophobicContact CB-CB 4.18Å; V116-A137 WeakPolarHBondContact O-CA 3.43Å; V116-A137 PolarHBondContact O-N 2.83Å; T135-A137 VanDerWaalsContact C-N 3.26Å; T135-A137 PolarHBondContact O-N 3.42Å; T135-A137 VanDerWaalsContact O-N 3.13Å; A137-H139 PolarHBondContact O-N 2.88Å
138	F	95.9	Very high	95.6	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.018	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	67.2	17	-172.1	-60.2	-106.1	0	0	0	114.5	C104 K109 D114 T135 Y176 D177 L199	C104-F138 VanDerWaalsContact SG-CD2 3.57Å; K109-F138 HydrophobicContact CB-CE2 4.38Å; K109-F138 HydrophobicContact CD-CE1 4.11Å; K109-F138 HydrophobicContact CD-CE2 3.92Å; K109-F138 HydrophobicContact CD-CZ 3.61Å; K109-F138 VanDerWaalsContact CE-CZ 3.42Å; K109-F138 HydrophobicContact CG-CD2 4.28Å; K109-F138 HydrophobicContact CG-CE2 3.93Å; K109-F138 HydrophobicContact CG-CZ 4.12Å; D114-F138 HydrophobicContact CB-CE2 4.04Å; T135-F138 WeakPolarHBondContact O-CA 3.33Å; T135-F138 PolarHBondContact O-N 2.96Å; F138-Y176 HydrophobicContact CB-CD1 4.43Å; F138-Y176 WeakPolarHBondContact CD1-O 3.43Å; F138-Y176 WeakPolarHBondContact O-CD1 3.43Å; F138-Y176 VanDerWaalsContact O-CE1 3.25Å; F138-Y176 WeakPolarHBondContact O-CE1 3.34Å; F138-D177 HydrophobicContact CD1-CB 4.43Å; F138-D177 HydrophobicContact CE1-CB 3.56Å; F138-D177 VanDerWaalsContact CE1-OD2 3.31Å; F138-D177 WeakPolarHBondContact CE1-OD2 3.23Å; F138-D177 HydrophobicContact CZ-CB 4.07Å; F138-D177 WeakPolarHBondContact CZ-OD2 3.44Å; F138-L199 HydrophobicContact CB-CD1 3.68Å; F138-L199 HydrophobicContact CD1-CD1 3.68Å; F138-L199 HydrophobicContact CG-CD1 3.94Å
139	H	96.3	Very high	94.7	Very high	53 Å²	53	17.8 Å²	17.8	25%	0.245	9%	0.087	C	C	.	.	S	Bend	trans	-119.9	82	164	-65.2	-124.3	0	0	0	107.5	W100 E103 T135 G136 A137 T141	W100-H139 HydrophobicContact CB-CB 4.38Å; W100-H139 AromaticContact CD1-CE1 3.73Å; W100-H139 AromaticContact CD1-ND1 3.57Å; W100-H139 HydrophobicContact CD2-CB 3.61Å; W100-H139 AromaticContact CD2-CG 3.75Å; W100-H139 AromaticContact CD2-ND1 3.82Å; W100-H139 AromaticContact CE2-ND1 3.99Å; W100-H139 HydrophobicContact CE3-CB 3.39Å; W100-H139 HydrophobicContact CG-CB 4.05Å; W100-H139 AromaticContact CG-CE1 3.94Å; W100-H139 AromaticContact CG-CG 3.66Å; W100-H139 AromaticContact CG-ND1 3.61Å; W100-H139 HydrophobicContact CZ3-CB 3.92Å; W100-H139 AromaticContact NE1-ND1 3.81Å; E103-H139 IonicContact OE2-CE1 3.76Å; E103-H139 PolarHBondContact OE2-CE1 3.42Å; E103-H139 IonicContact OE2-NE2 3.87Å; T135-H139 CarbonylContact O-C 3.3Å; T135-H139 PolarHBondContact O-N 3.22Å; T135-H139 VanDerWaalsContact O-N 3.13Å; G136-H139 VanDerWaalsContact CA-O 3.32Å; G136-H139 WeakPolarHBondContact CA-O 3.48Å; G136-H139 WeakPolarHBondContact O-CB 3.36Å; G136-H139 PolarHBondContact O-N 2.8Å; G136-H139 VanDerWaalsContact O-N 3.1Å; A137-H139 PolarHBondContact O-N 2.88Å; H139-T141 PolarHBondContact O-N 3.39Å
140	P	96.8	Very high	93.1	Very high	4 Å²	4	21.4 Å²	21.4	3%	0.026	10%	0.099	C	C	.	.			trans	-56.7	135.6	-172.4	-27	36.4	0	0	0	111.9	G134 G170 Y176	G134-P140 WeakPolarHBondContact O-CA 3.3Å; P140-G170 VanDerWaalsContact O-CA 3.27Å; P140-G170 WeakPolarHBondContact O-CA 3.42Å; P140-G170 PolarHBondContact O-N 2.87Å; P140-Y176 VanDerWaalsContact CD-CE1 3.47Å; P140-Y176 HydrophobicContact CG-CD1 4.02Å; P140-Y176 HydrophobicContact CG-CD2 3.65Å; P140-Y176 HydrophobicContact CG-CE1 4.11Å; P140-Y176 HydrophobicContact CG-CE2 3.76Å; P140-Y176 HydrophobicContact CG-CG 3.76Å
141	T	97.1	Very high	91.1	Very high	9 Å²	9	30.3 Å²	30.3	6%	0.055	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	151.8	-175.8	32.2	0	0	0	0	110.9	W100 C133 G134 H139 V167 E168	W100-T141 HydrophobicContact CH2-CG2 3.76Å; W100-T141 HydrophobicContact CZ3-CG2 3.63Å; C133-T141 CarbonylContact C-O 3.41Å; C133-T141 VanDerWaalsContact CA-O 3.23Å; C133-T141 WeakPolarHBondContact CA-O 3.5Å; C133-T141 WeakPolarHBondContact CB-O 3.31Å; G134-T141 PolarHBondContact N-O 2.69Å; G134-T141 PolarHBondContact O-N 2.71Å; H139-T141 PolarHBondContact O-N 3.39Å; T141-V167 HydrophobicContact CG2-CG1 3.74Å; T141-E168 WeakPolarHBondContact CA-O 3.31Å
142	C	97.8	Very high	89.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	157.8	175.9	-63.5	0	0	0	0	111.1	Y131 A132 C133 V167 E168 K173	Y131-C142 HydrophobicContact CE1-CB 3.89Å; Y131-C142 HydrophobicContact CE2-CB 4.13Å; Y131-C142 VanDerWaalsContact CZ-CB 3.48Å; Y131-C142 WeakPolarHBondContact OH-CB 3.46Å; A132-C142 CarbonylContact O-C 3.51Å; A132-C142 WeakPolarHBondContact O-CA 3.34Å; C133-C142 HydrophobicContact CB-CB 4.02Å; C133-C142 WeakPolarHBondContact CB-SG 3.28Å; C133-C142 WeakPolarHBondContact SG-CB 3.32Å; C133-C142 CovalentContact SG-SG 2.03Å; C133-C142 PolarHBondContact SG-SG 2.87Å; C142-V167 CarbonylContact O-C 3.55Å; C142-V167 WeakPolarHBondContact O-CA 3.35Å; C142-E168 HydrophobicContact CB-CB 4.4Å; C142-E168 PolarHBondContact N-O 3.37Å; C142-E168 PolarHBondContact O-N 2.75Å; C142-K173 HydrophobicContact CB-CD 4.38Å; C142-K173 WeakPolarHBondContact SG-CD 3.21Å
143	A	97.1	Very high	87	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	150.5	176.9	0	0	0	0	0	111.6	W94 A132 I162 V167	W94-A143 HydrophobicContact CH2-CB 4.05Å; W94-A143 HydrophobicContact CZ2-CB 3.92Å; A132-A143 PolarHBondContact N-O 3.45Å; A132-A143 PolarHBondContact O-N 2.78Å; A143-I162 HydrophobicContact CB-CD1 4.08Å; A143-I162 HydrophobicContact CB-CG1 4.18Å; A143-I162 HydrophobicContact CB-CG2 3.78Å; A143-V167 HydrophobicContact CB-CG2 4.45Å
144	F	96.5	Very high	84.7	Confident	50 Å²	50	46 Å²	46	22%	0.219	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	131.1	163.6	-63.2	-80.4	0	0	0	109.6	Y125 L130 Y131 E168	Y125-F144 AromaticContact CD1-CD1 3.67Å; Y125-F144 HydrophobicContact CD1-CD1 3.67Å; Y125-F144 AromaticContact CD1-CE1 3.45Å; Y125-F144 HydrophobicContact CD1-CE1 3.45Å; Y125-F144 VanDerWaalsContact CD1-CE1 3.45Å; Y125-F144 AromaticContact CD2-CE1 3.9Å; Y125-F144 HydrophobicContact CD2-CE1 3.9Å; Y125-F144 AromaticContact CE1-CD1 3.94Å; Y125-F144 HydrophobicContact CE1-CD1 3.94Å; Y125-F144 AromaticContact CE1-CE1 3.39Å; Y125-F144 HydrophobicContact CE1-CE1 3.39Å; Y125-F144 HydrophobicContact CE1-CZ 4.18Å; Y125-F144 AromaticContact CE2-CE1 3.84Å; Y125-F144 HydrophobicContact CE2-CE1 3.84Å; Y125-F144 HydrophobicContact CE2-CZ 4.42Å; Y125-F144 HydrophobicContact CG-CD1 4.08Å; Y125-F144 AromaticContact CG-CE1 3.7Å; Y125-F144 HydrophobicContact CG-CE1 3.7Å; Y125-F144 AromaticContact CZ-CE1 3.59Å; L130-F144 WeakPolarHBondContact O-CA 3.16Å; Y131-F144 AromaticContact CD2-CD1 3.71Å; Y131-F144 HydrophobicContact CD2-CD1 3.71Å; Y131-F144 AromaticContact CD2-CE1 3.42Å; Y131-F144 HydrophobicContact CD2-CE1 3.42Å; Y131-F144 VanDerWaalsContact CD2-CE1 3.42Å; Y131-F144 HydrophobicContact CD2-CE2 4.29Å; Y131-F144 HydrophobicContact CD2-CG 4.25Å; Y131-F144 AromaticContact CD2-CZ 3.74Å; Y131-F144 HydrophobicContact CD2-CZ 3.74Å; Y131-F144 HydrophobicContact CE2-CD1 4.39Å; Y131-F144 HydrophobicContact CE2-CD2 4.48Å; Y131-F144 AromaticContact CE2-CE1 3.9Å; Y131-F144 HydrophobicContact CE2-CE1 3.9Å; Y131-F144 HydrophobicContact CE2-CE2 4.02Å; Y131-F144 AromaticContact CE2-CZ 3.7Å; Y131-F144 HydrophobicContact CE2-CZ 3.7Å; Y131-F144 HydrophobicContact CG-CE1 4.45Å; F144-E168 WeakPolarHBondContact CE2-OE1 3.31Å
145	V	96.8	Very high	82.6	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	111.9	-178.5	-169.6	0	0	0	0	108	L77 I92 H129 L130 A132 V147 F160 I162	L77-V145 HydrophobicContact CD2-CB 4.28Å; L77-V145 HydrophobicContact CD2-CG1 3.81Å; L77-V145 HydrophobicContact CD2-CG2 3.59Å; I92-V145 HydrophobicContact CD1-CG1 3.73Å; H129-V145 CarbonylContact C-O 3.59Å; H129-V145 VanDerWaalsContact CA-O 3.25Å; H129-V145 WeakPolarHBondContact CA-O 3.43Å; L130-V145 HydrophobicContact CB-CB 4.16Å; L130-V145 HydrophobicContact CB-CG2 4.49Å; L130-V145 PolarHBondContact N-O 2.79Å; L130-V145 PolarHBondContact O-N 3.38Å; A132-V145 HydrophobicContact CB-CG2 3.79Å; V145-V147 HydrophobicContact CG1-CG1 4.46Å; V145-V147 PolarHBondContact O-N 3.43Å; V145-F160 HydrophobicContact CG1-CD2 4.03Å; V145-F160 HydrophobicContact CG1-CE2 3.87Å; V145-I162 HydrophobicContact CB-CG1 4.35Å; V145-I162 HydrophobicContact CG1-CG1 4.29Å; V145-I162 HydrophobicContact CG2-CD1 4.16Å; V145-I162 HydrophobicContact CG2-CG1 3.84Å
146	E	94.6	Very high	80.5	Confident	57 Å²	57	63.4 Å²	63.4	27%	0.266	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	127.7	178.2	-163.2	-175.8	130.8	0	0	109.9	T128 V159 F160 R161	T128-E146 CarbonylContact O-C 3.55Å; T128-E146 WeakPolarHBondContact O-CA 3Å; E146-V159 HydrophobicContact CB-CG1 4.16Å; E146-V159 HydrophobicContact CG-CG1 3.91Å; E146-F160 WeakPolarHBondContact O-CA 3.26Å; E146-R161 HydrophobicContact CB-CG 4.49Å; E146-R161 VanDerWaalsContact CD-NH1 3.34Å; E146-R161 PolarHBondContact N-O 2.94Å; E146-R161 PolarHBondContact O-N 3.05Å; E146-R161 IonicContact OE1-CZ 2.68Å; E146-R161 IonicContact OE1-NH1 2.62Å; E146-R161 IonicContact OE1-NH2 3.64Å; E146-R161 PolarHBondContact OE1-NH2 2.9Å; E146-R161 IonicContact OE2-CZ 3.24Å; E146-R161 IonicContact OE2-NH1 3.5Å; E146-R161 PolarHBondContact OE2-NH1 2.85Å; E146-R161 IonicContact OE2-NH2 2.65Å; E146-R161 PolarHBondContact OE2-NH2 3.14Å
147	V	92.6	Very high	78.9	Confident	4 Å²	4	68.8 Å²	68.8	2%	0.024	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	134.9	-175.4	-72.5	0	0	0	0	112	F70 T128 L130 V145 V159 F160	F70-V147 HydrophobicContact CE1-CG1 3.77Å; F70-V147 HydrophobicContact CZ-CB 4.32Å; F70-V147 HydrophobicContact CZ-CG1 3.82Å; T128-V147 WeakPolarHBondContact CA-O 3.28Å; T128-V147 PolarHBondContact O-N 3.11Å; L130-V147 HydrophobicContact CD1-CG1 3.91Å; L130-V147 HydrophobicContact CD2-CG2 4.12Å; L130-V147 HydrophobicContact CG-CG1 3.84Å; L130-V147 HydrophobicContact CG-CG2 3.97Å; V145-V147 HydrophobicContact CG1-CG1 4.46Å; V145-V147 PolarHBondContact O-N 3.43Å; V147-V159 WeakPolarHBondContact CA-O 3.05Å; V147-F160 HydrophobicContact CG1-CD2 3.99Å; V147-F160 HydrophobicContact CG1-CE2 4.43Å
148	G	83.6	Confident	77.8	Confident	16 Å²	16	69.3 Å²	69.3	17%	0.165	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.3	-153.7	174.1	0	0	0	0	0	114.3	H158 V159	G148-H158 PolarHBondContact O-ND1 2.84Å; G148-V159 PolarHBondContact N-O 3.12Å; G148-V159 PolarHBondContact O-N 3.25Å
149	H	70.3	Confident	77.3	Confident	125 Å²	125	69.6 Å²	69.6	58%	0.579	33%	0.333	S	S	*	.			trans	-124.6	140.6	173.2	-66.3	-87.5	0	0	0	109.2	D157	H149-D157 PolarHBondContact CE1-O 3.07Å; H149-D157 PolarHBondContact ND1-O 3.32Å
150	R	61.4	Low	77.2	Confident	128 Å²	128	68.1 Å²	68.1	48%	0.483	33%	0.326	S	S	.	.			trans	-97.5	108.9	167.9	-91.3	-177.7	174.2	-168.4	-4.5	109.1	E152 V153 V159	R150-E152 PolarHBondContact O-N 2.85Å; R150-V153 PolarHBondContact O-N 3.14Å; R150-V159 HydrophobicContact CB-CG2 4.4Å; R150-V159 HydrophobicContact CG-CG2 3.81Å
151	M	54.8	Low	77	Confident	187 Å²	187	72.7 Å²	72.7	92%	0.921	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.2	178	-63.7	177.9	68.8	0	0	113.1
152	E	56.4	Low	76.9	Confident	168 Å²	168	73.6 Å²	73.6	79%	0.785	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-15.8	-175.5	-63.4	165.1	174.4	0	0	114.2	R150	R150-E152 PolarHBondContact O-N 2.85Å
153	V	53.1	Low	76.5	Confident	57 Å²	57	76.3 Å²	76.3	35%	0.345	36%	0.362	S	S	.	.			trans	-134.1	89.6	-175.2	-171.6	0	0	0	0	110.4	R150 W155 Q156	R150-V153 PolarHBondContact O-N 3.14Å; V153-W155 PolarHBondContact O-N 3.05Å; V153-Q156 HydrophobicContact CB-CB 4.04Å; V153-Q156 HydrophobicContact CG1-CB 3.8Å; V153-Q156 PolarHBondContact O-N 3.39Å
154	P	49.5	Very low	76.1	Confident	104 Å²	104	81.6 Å²	81.6	68%	0.675	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-10.2	-175.3	-27.1	36.3	0	0	0	116.5
155	W	54.5	Low	75.6	Confident	243 Å²	243	84 Å²	84	92%	0.92	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-2.9	176.2	-55.9	103.6	0	0	0	113.4	V153	V153-W155 PolarHBondContact O-N 3.05Å
156	Q	53.2	Low	75.2	Confident	122 Å²	122	90.2 Å²	90.2	57%	0.57	45%	0.446	S	S	*	.			trans	-113.3	54.4	-176.7	-155.3	84.9	64.7	0	0	110.3	V153 H158	V153-Q156 HydrophobicContact CB-CB 4.04Å; V153-Q156 HydrophobicContact CG1-CB 3.8Å; V153-Q156 PolarHBondContact O-N 3.39Å; Q156-H158 PolarHBondContact O-N 3.39Å
157	D	61	Low	75.2	Confident	113 Å²	113	90.1 Å²	90.1	60%	0.604	45%	0.449	S	S	*	.			trans	-46	-28.8	-166.3	-92.5	-31.6	0	0	0	116.5	H149	H149-D157 PolarHBondContact CE1-O 3.07Å; H149-D157 PolarHBondContact ND1-O 3.32Å
158	H	74.3	Confident	75.3	Confident	11 Å²	11	92.8 Å²	92.8	5%	0.051	46%	0.461	C	S	.	.			trans	-141.7	130.2	179.6	-167.4	48.3	0	0	0	111	S79 H90 G148 Q156	S79-H158 PolarHBondContact OG-NE2 2.89Å; H90-H158 AromaticContact CD2-CD2 3.5Å; H90-H158 AromaticContact NE2-CD2 3.93Å; G148-H158 PolarHBondContact O-ND1 2.84Å; Q156-H158 PolarHBondContact O-N 3.39Å
159	V	86.6	Confident	75.8	Confident	10 Å²	10	97 Å²	97	6%	0.061	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	123.3	165.9	-179.7	0	0	0	0	108	E146 V147 G148 R150 R161	E146-V159 HydrophobicContact CB-CG1 4.16Å; E146-V159 HydrophobicContact CG-CG1 3.91Å; V147-V159 WeakPolarHBondContact CA-O 3.05Å; G148-V159 PolarHBondContact N-O 3.12Å; G148-V159 PolarHBondContact O-N 3.25Å; R150-V159 HydrophobicContact CB-CG2 4.4Å; R150-V159 HydrophobicContact CG-CG2 3.81Å; V159-R161 HydrophobicContact CG1-CG 4.29Å
160	F	93.1	Very high	77	Confident	23 Å²	23	91 Å²	91	10%	0.101	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	94.6	174.1	-171.9	-124.7	0	0	0	109.5	F70 L77 L78 H90 I92 V145 E146 V147	F70-F160 HydrophobicContact CD1-CD2 4.39Å; F70-F160 AromaticContact CD1-CE2 3.68Å; F70-F160 HydrophobicContact CD1-CE2 3.68Å; F70-F160 HydrophobicContact CD1-CZ 4.28Å; F70-F160 HydrophobicContact CE1-CD2 4.07Å; F70-F160 AromaticContact CE1-CE2 3.82Å; F70-F160 HydrophobicContact CE1-CE2 3.82Å; L77-F160 HydrophobicContact CB-CZ 4.44Å; L77-F160 HydrophobicContact CD2-CE2 4.04Å; L77-F160 HydrophobicContact CD2-CZ 3.85Å; L77-F160 HydrophobicContact CG-CE2 4.5Å; L77-F160 HydrophobicContact CG-CZ 3.88Å; L77-F160 WeakPolarHBondContact O-CE1 3.43Å; L78-F160 WeakPolarHBondContact O-CZ 3.48Å; H90-F160 HydrophobicContact CB-CB 4.19Å; H90-F160 HydrophobicContact CB-CD1 3.67Å; H90-F160 HydrophobicContact CB-CE1 4.47Å; H90-F160 HydrophobicContact CB-CG 4.27Å; H90-F160 WeakPolarHBondContact O-CE1 3.33Å; I92-F160 HydrophobicContact CD1-CD1 3.79Å; I92-F160 HydrophobicContact CD1-CD2 4.11Å; I92-F160 HydrophobicContact CD1-CE1 3.76Å; I92-F160 HydrophobicContact CD1-CE2 4.08Å; I92-F160 HydrophobicContact CD1-CG 3.98Å; I92-F160 HydrophobicContact CD1-CZ 3.91Å; I92-F160 HydrophobicContact CG1-CD1 3.71Å; I92-F160 HydrophobicContact CG1-CE1 3.74Å; I92-F160 HydrophobicContact CG1-CG 4.33Å; I92-F160 HydrophobicContact CG1-CZ 4.37Å; V145-F160 HydrophobicContact CG1-CD2 4.03Å; V145-F160 HydrophobicContact CG1-CE2 3.87Å; E146-F160 WeakPolarHBondContact O-CA 3.26Å; V147-F160 HydrophobicContact CG1-CD2 3.99Å; V147-F160 HydrophobicContact CG1-CE2 4.43Å
161	R	93.6	Very high	78.6	Confident	100 Å²	100	90.3 Å²	90.3	38%	0.377	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	150.1	-177.3	50.9	-178	160.6	67.6	16.5	113.5	E146 V159	E146-R161 HydrophobicContact CB-CG 4.49Å; E146-R161 VanDerWaalsContact CD-NH1 3.34Å; E146-R161 PolarHBondContact N-O 2.94Å; E146-R161 PolarHBondContact O-N 3.05Å; E146-R161 IonicContact OE1-CZ 2.68Å; E146-R161 IonicContact OE1-NH1 2.62Å; E146-R161 IonicContact OE1-NH2 3.64Å; E146-R161 PolarHBondContact OE1-NH2 2.9Å; E146-R161 IonicContact OE2-CZ 3.24Å; E146-R161 IonicContact OE2-NH1 3.5Å; E146-R161 PolarHBondContact OE2-NH1 2.85Å; E146-R161 IonicContact OE2-NH2 2.65Å; E146-R161 PolarHBondContact OE2-NH2 3.14Å; V159-R161 HydrophobicContact CG1-CG 4.29Å
162	I	94	Very high	80.4	Confident	27 Å²	27	81.5 Å²	81.5	14%	0.138	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	146.4	167.1	-72.7	169.3	0	0	0	108.2	I92 W94 A143 V145 P164 V167	I92-I162 HydrophobicContact CD1-CG1 4.28Å; I92-I162 HydrophobicContact CG2-CD1 4.16Å; I92-I162 HydrophobicContact CG2-CG1 4.44Å; W94-I162 HydrophobicContact CD2-CD1 3.83Å; W94-I162 HydrophobicContact CE3-CD1 3.82Å; W94-I162 HydrophobicContact CG-CD1 4.23Å; W94-I162 HydrophobicContact CZ3-CD1 4.26Å; A143-I162 HydrophobicContact CB-CD1 4.08Å; A143-I162 HydrophobicContact CB-CG1 4.18Å; A143-I162 HydrophobicContact CB-CG2 3.78Å; V145-I162 HydrophobicContact CB-CG1 4.35Å; V145-I162 HydrophobicContact CG1-CG1 4.29Å; V145-I162 HydrophobicContact CG2-CD1 4.16Å; V145-I162 HydrophobicContact CG2-CG1 3.84Å; I162-P164 WeakPolarHBondContact O-CD 3.22Å; I162-V167 HydrophobicContact CG2-CG2 4.49Å
163	D	90.5	Very high	82.2	Confident	58 Å²	58	74.6 Å²	74.6	31%	0.31	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	110.8	165.8	-177.2	-19.4	0	0	0	109.4	S165 K166	D163-S165 VanDerWaalsContact CG-OG 3.31Å; D163-S165 PolarHBondContact O-N 3.26Å; D163-S165 VanDerWaalsContact O-N 3.17Å; D163-S165 WeakPolarHBondContact OD1-CB 3.47Å; D163-S165 PolarHBondContact OD1-N 2.68Å; D163-S165 PolarHBondContact OD1-OG 3.39Å; D163-S165 PolarHBondContact OD2-OG 3.14Å; D163-K166 HydrophobicContact CB-CB 4.3Å; D163-K166 HydrophobicContact CB-CD 4.46Å; D163-K166 HydrophobicContact CB-CG 4.3Å; D163-K166 PolarHBondContact O-N 3.23Å; D163-K166 IonicContact OD2-NZ 3.59Å; D163-K166 PolarHBondContact OD2-NZ 3.32Å
164	P	87.3	Confident	84.3	Confident	111 Å²	111	71.9 Å²	71.9	72%	0.721	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.4	-22.4	-177.6	-23.2	35	0	0	0	114.2	I162 K166	I162-P164 WeakPolarHBondContact O-CD 3.22Å; P164-K166 PolarHBondContact O-N 3.35Å
165	S	86.7	Confident	86.5	Confident	100 Å²	100	66.9 Å²	66.9	70%	0.699	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	-10.2	177.1	72	0	0	0	0	113.5	D163	D163-S165 VanDerWaalsContact CG-OG 3.31Å; D163-S165 PolarHBondContact O-N 3.26Å; D163-S165 VanDerWaalsContact O-N 3.17Å; D163-S165 WeakPolarHBondContact OD1-CB 3.47Å; D163-S165 PolarHBondContact OD1-N 2.68Å; D163-S165 PolarHBondContact OD1-OG 3.39Å; D163-S165 PolarHBondContact OD2-OG 3.14Å
166	K	89.1	Confident	88.5	Confident	130 Å²	130	56.9 Å²	56.9	57%	0.565	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.8	26.9	-177	-56.9	-170.5	179.7	95.1	0	112.8	D163 P164	D163-K166 HydrophobicContact CB-CB 4.3Å; D163-K166 HydrophobicContact CB-CD 4.46Å; D163-K166 HydrophobicContact CB-CG 4.3Å; D163-K166 PolarHBondContact O-N 3.23Å; D163-K166 IonicContact OD2-NZ 3.59Å; D163-K166 PolarHBondContact OD2-NZ 3.32Å; P164-K166 PolarHBondContact O-N 3.35Å
167	V	93.4	Very high	90.5	Very high	55 Å²	55	51.7 Å²	51.7	33%	0.333	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	129.3	170.2	177.7	0	0	0	0	109	T141 C142 A143 I162	T141-V167 HydrophobicContact CG2-CG1 3.74Å; C142-V167 CarbonylContact O-C 3.55Å; C142-V167 WeakPolarHBondContact O-CA 3.35Å; A143-V167 HydrophobicContact CB-CG2 4.45Å; I162-V167 HydrophobicContact CG2-CG2 4.49Å
168	E	95.1	Very high	92	Very high	60 Å²	60	47 Å²	47	28%	0.28	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	157.8	-179.9	-59.4	-174	159.1	0	0	112.2	Y131 T141 C142 F144 G170 K173	Y131-E168 PolarHBondContact OH-OE2 2.91Å; T141-E168 WeakPolarHBondContact CA-O 3.31Å; C142-E168 HydrophobicContact CB-CB 4.4Å; C142-E168 PolarHBondContact N-O 3.37Å; C142-E168 PolarHBondContact O-N 2.75Å; F144-E168 WeakPolarHBondContact CE2-OE1 3.31Å; E168-G170 PolarHBondContact O-N 2.75Å; E168-K173 IonicContact OE2-NZ 2.81Å; E168-K173 PolarHBondContact OE2-NZ 2.83Å
169	D	94.9	Very high	92.9	Very high	105 Å²	105	54.8 Å²	54.8	56%	0.561	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.3	129	161.3	179.6	18.6	0	0	0	110.8	K171 K173	D169-K171 WeakPolarHBondContact OD1-CB 3.4Å; D169-K171 PolarHBondContact OD1-N 3.48Å; D169-K171 WeakPolarHBondContact OD2-CB 3.29Å; D169-K173 WeakPolarHBondContact O-CE 3.42Å; D169-K173 PolarHBondContact O-NZ 3.49Å
170	G	95.2	Very high	93.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.276	C	S	.	.			trans	-96.4	0.4	177	0	0	0	0	0	114.2	P140 E168 G172 K173 S174	P140-G170 VanDerWaalsContact O-CA 3.27Å; P140-G170 WeakPolarHBondContact O-CA 3.42Å; P140-G170 PolarHBondContact O-N 2.87Å; E168-G170 PolarHBondContact O-N 2.75Å; G170-G172 PolarHBondContact O-N 3.24Å; G170-K173 CarbonylContact O-C 3.52Å; G170-K173 WeakPolarHBondContact O-CA 3.31Å; G170-K173 VanDerWaalsContact O-CB 3.31Å; G170-K173 WeakPolarHBondContact O-CB 3.4Å; G170-K173 PolarHBondContact O-N 2.65Å; G170-S174 PolarHBondContact O-N 2.93Å
171	K	93.8	Very high	93.2	Very high	112 Å²	112	59.5 Å²	59.5	49%	0.487	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	128.3	178.7	-171.9	173.6	-171.8	173	0	111.5	D169 K173 Y176	D169-K171 WeakPolarHBondContact OD1-CB 3.4Å; D169-K171 PolarHBondContact OD1-N 3.48Å; D169-K171 WeakPolarHBondContact OD2-CB 3.29Å; K171-K173 PolarHBondContact O-N 2.81Å; K171-Y176 WeakPolarHBondContact CD-OH 3.45Å; K171-Y176 HydrophobicContact CG-CE2 4.29Å
172	G	92.3	Very high	93.2	Very high	3 Å²	3	55.9 Å²	55.9	3%	0.031	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	-10.8	-173.8	0	0	0	0	0	114.7	G170 A193 V195 F207	G170-G172 PolarHBondContact O-N 3.24Å; G172-A193 WeakPolarHBondContact O-CB 3.44Å; G172-V195 WeakPolarHBondContact O-CG2 3.4Å; G172-F207 WeakPolarHBondContact O-CD1 3.3Å
173	K	95.6	Very high	93.4	Very high	22 Å²	22	54.6 Å²	54.6	10%	0.096	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-44.4	175.5	-50.3	178.2	-176	157.2	0	111	I121 Y131 C142 E168 D169 G170 K171 L191	I121-K173 WeakPolarHBondContact CD1-O 3.38Å; Y131-K173 HydrophobicContact CE1-CD 4.32Å; Y131-K173 VanDerWaalsContact OH-CD 3.24Å; Y131-K173 WeakPolarHBondContact OH-CD 3.47Å; Y131-K173 WeakPolarHBondContact OH-CE 3.2Å; Y131-K173 PolarHBondContact OH-NZ 3.22Å; C142-K173 HydrophobicContact CB-CD 4.38Å; C142-K173 WeakPolarHBondContact SG-CD 3.21Å; E168-K173 IonicContact OE2-NZ 2.81Å; E168-K173 PolarHBondContact OE2-NZ 2.83Å; D169-K173 WeakPolarHBondContact O-CE 3.42Å; D169-K173 PolarHBondContact O-NZ 3.49Å; G170-K173 CarbonylContact O-C 3.52Å; G170-K173 WeakPolarHBondContact O-CA 3.31Å; G170-K173 VanDerWaalsContact O-CB 3.31Å; G170-K173 WeakPolarHBondContact O-CB 3.4Å; G170-K173 PolarHBondContact O-N 2.65Å; K171-K173 PolarHBondContact O-N 2.81Å; K173-L191 HydrophobicContact CB-CD2 3.88Å; K173-L191 HydrophobicContact CD-CD2 4.49Å; K173-L191 HydrophobicContact CG-CD2 4.16Å
174	S	96.5	Very high	93.7	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-131.2	146.9	-171.9	-179.3	0	0	0	0	110.8	G134 G170	G134-S174 PolarHBondContact O-OG 3.06Å; G170-S174 PolarHBondContact O-N 2.93Å
175	P	96.3	Very high	94.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.246	C	C	.	.			trans	-74.7	151.7	-178.2	30.4	-35	0	0	0	112.4	K120 T135 H180	K120-P175 HydrophobicContact CG-CG 4.14Å; T135-P175 WeakPolarHBondContact CG2-O 3.19Å; P175-H180 HydrophobicContact CB-CB 4.03Å
176	Y	95.6	Very high	94.8	Very high	33 Å²	33	45.1 Å²	45.1	13%	0.129	22%	0.219	C	C	.	.	S	Bend	trans	-70.3	-53.2	172.6	-77.7	-104.2	0	0	0	112.1	F138 P140 K171 T197	F138-Y176 HydrophobicContact CB-CD1 4.43Å; F138-Y176 WeakPolarHBondContact CD1-O 3.43Å; F138-Y176 WeakPolarHBondContact O-CD1 3.43Å; F138-Y176 VanDerWaalsContact O-CE1 3.25Å; F138-Y176 WeakPolarHBondContact O-CE1 3.34Å; P140-Y176 VanDerWaalsContact CD-CE1 3.47Å; P140-Y176 HydrophobicContact CG-CD1 4.02Å; P140-Y176 HydrophobicContact CG-CD2 3.65Å; P140-Y176 HydrophobicContact CG-CE1 4.11Å; P140-Y176 HydrophobicContact CG-CE2 3.76Å; P140-Y176 HydrophobicContact CG-CG 3.76Å; K171-Y176 WeakPolarHBondContact CD-OH 3.45Å; K171-Y176 HydrophobicContact CG-CE2 4.29Å; Y176-T197 VanDerWaalsContact CE2-C 3.42Å; Y176-T197 WeakPolarHBondContact CE2-O 3.23Å
177	D	94.7	Very high	95.1	Very high	12 Å²	12	39.4 Å²	39.4	6%	0.064	19%	0.194	C	C	.	.	S	Bend	trans	-87.3	129.1	-176.5	-163.2	-67.9	0	0	0	111.5	K109 F138 R179 H180	K109-D177 IonicContact NZ-OD2 3.99Å; K109-D177 PolarHBondContact NZ-OD2 3.49Å; F138-D177 HydrophobicContact CD1-CB 4.43Å; F138-D177 HydrophobicContact CE1-CB 3.56Å; F138-D177 VanDerWaalsContact CE1-OD2 3.31Å; F138-D177 WeakPolarHBondContact CE1-OD2 3.23Å; F138-D177 HydrophobicContact CZ-CB 4.07Å; F138-D177 WeakPolarHBondContact CZ-OD2 3.44Å; D177-R179 PolarHBondContact O-N 2.91Å; D177-R179 VanDerWaalsContact O-N 3.1Å; D177-R179 VanDerWaalsContact OD1-CB 3.28Å; D177-R179 WeakPolarHBondContact OD1-CB 3.45Å; D177-R179 WeakPolarHBondContact OD1-CG 3.25Å; D177-R179 IonicContact OD1-CZ 3.26Å; D177-R179 PolarHBondContact OD1-N 2.65Å; D177-R179 IonicContact OD1-NE 2.9Å; D177-R179 PolarHBondContact OD1-NE 3.45Å; D177-R179 IonicContact OD1-NH2 3.39Å; D177-R179 IonicContact OD2-CZ 2.65Å; D177-R179 IonicContact OD2-NE 3.2Å; D177-R179 IonicContact OD2-NH2 3.55Å; D177-R179 PolarHBondContact OD2-NH2 2.94Å; D177-H180 PolarHBondContact O-N 2.91Å
178	P	93.8	Very high	95	Very high	15 Å²	15	39.4 Å²	39.4	10%	0.097	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-12.4	-177.5	28	-35.4	0	0	0	114.3	Y118 K120 T135 H180	Y118-P178 HydrophobicContact CD2-CB 3.34Å; Y118-P178 HydrophobicContact CD2-CG 4.05Å; Y118-P178 HydrophobicContact CE2-CB 3.67Å; Y118-P178 HydrophobicContact CE2-CG 4.01Å; Y118-P178 HydrophobicContact CG-CB 3.87Å; K120-P178 VanDerWaalsContact CE-O 3.28Å; K120-P178 WeakPolarHBondContact CE-O 3.32Å; K120-P178 PolarHBondContact NZ-O 2.96Å; T135-P178 HydrophobicContact CG2-CB 4.18Å; P178-H180 VanDerWaalsContact C-N 3.32Å
179	R	92.2	Very high	95	Very high	175 Å²	175	39.8 Å²	39.8	66%	0.66	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-4.7	174.1	-56.1	167.1	-65.4	178.7	2.8	112.8	D177	D177-R179 PolarHBondContact O-N 2.91Å; D177-R179 VanDerWaalsContact O-N 3.1Å; D177-R179 VanDerWaalsContact OD1-CB 3.28Å; D177-R179 WeakPolarHBondContact OD1-CB 3.45Å; D177-R179 WeakPolarHBondContact OD1-CG 3.25Å; D177-R179 IonicContact OD1-CZ 3.26Å; D177-R179 PolarHBondContact OD1-N 2.65Å; D177-R179 IonicContact OD1-NE 2.9Å; D177-R179 PolarHBondContact OD1-NE 3.45Å; D177-R179 IonicContact OD1-NH2 3.39Å; D177-R179 IonicContact OD2-CZ 2.65Å; D177-R179 IonicContact OD2-NE 3.2Å; D177-R179 IonicContact OD2-NH2 3.55Å; D177-R179 PolarHBondContact OD2-NH2 2.94Å
180	H	93.1	Very high	95	Very high	31 Å²	31	35 Å²	35	14%	0.144	18%	0.183	C	C	.	.	S	Bend	trans	-95.3	138.6	170.4	-75.4	169.8	0	0	0	111.2	P175 D177 P178 A196 F204 K230	P175-H180 HydrophobicContact CB-CB 4.03Å; D177-H180 PolarHBondContact O-N 2.91Å; P178-H180 VanDerWaalsContact C-N 3.32Å; H180-A196 WeakPolarHBondContact ND1-CB 3.18Å; H180-F204 AromaticContact CE1-CE1 3.92Å; H180-K230 PolarHBondContact NE2-NZ 3.49Å
181	N	92.6	Very high	95.1	Very high	101 Å²	101	35 Å²	35	54%	0.54	18%	0.183	S	C	.	.			trans	-93.9	159.4	174.3	-70.4	-2.7	0	0	0	110.4
182	A	95.2	Very high	95.4	Very high	23 Å²	23	29.6 Å²	29.6	19%	0.19	16%	0.16	C	C	.	.			trans	-118.8	128	175.1	0	0	0	0	0	109.5	I121 T184 G194 V195	I121-A182 HydrophobicContact CD1-CB 4.08Å; I121-A182 HydrophobicContact CG1-CB 4.21Å; A182-T184 HydrophobicContact CB-CG2 3.92Å; A182-G194 WeakPolarHBondContact CA-O 3.32Å; A182-V195 HydrophobicContact CB-CG1 3.53Å
183	A	97.5	Very high	95.6	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.008	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	117	161.5	0	0	0	0	0	107.2	A193 G194 F231 S234 F250	A183-A193 CarbonylContact O-C 3.51Å; A183-A193 WeakPolarHBondContact O-CA 3.49Å; A183-G194 PolarHBondContact N-O 3.12Å; A183-G194 VanDerWaalsContact N-O 3.07Å; A183-G194 PolarHBondContact O-N 2.86Å; A183-F231 HydrophobicContact CB-CB 3.8Å; A183-F231 HydrophobicContact CB-CD1 4.46Å; A183-F231 HydrophobicContact CB-CG 4.46Å; A183-S234 VanDerWaalsContact C-OG 3.31Å; A183-F250 HydrophobicContact CB-CD1 4.08Å; A183-F250 HydrophobicContact CB-CE1 4.24Å
184	T	97.8	Very high	95.8	Very high	24 Å²	24	28.4 Å²	28.4	15%	0.147	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	145	-179.1	61.6	0	0	0	0	113.2	I121 H123 A182 Y192 A193 S234	I121-T184 HydrophobicContact CD1-CG2 3.69Å; I121-T184 HydrophobicContact CG1-CG2 3.88Å; H123-T184 PolarHBondContact CE1-O 2.69Å; H123-T184 PolarHBondContact NE2-OG1 3.14Å; A182-T184 HydrophobicContact CB-CG2 3.92Å; T184-Y192 VanDerWaalsContact CA-O 3.31Å; T184-Y192 WeakPolarHBondContact CA-O 3.5Å; T184-A193 HydrophobicContact CG2-CB 3.77Å; T184-S234 VanDerWaalsContact CA-OG 3.31Å; T184-S234 WeakPolarHBondContact CA-OG 3.49Å; T184-S234 PolarHBondContact N-OG 3.03Å; T184-S234 PolarHBondContact O-OG 3.35Å
185	V	97.6	Very high	95.8	Very high	22 Å²	22	28.4 Å²	28.4	13%	0.133	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	130.4	170.9	63.3	0	0	0	0	109.9	I187 Y192 S234 I248	V185-I187 HydrophobicContact CG1-CD1 4.17Å; V185-I187 HydrophobicContact CG1-CG1 4.31Å; V185-I187 HydrophobicContact CG2-CD1 4.4Å; V185-I187 HydrophobicContact CG2-CG1 3.89Å; V185-Y192 PolarHBondContact N-O 3.42Å; V185-Y192 PolarHBondContact O-N 2.91Å; V185-S234 PolarHBondContact N-OG 3.42Å; V185-I248 HydrophobicContact CG1-CG2 3.85Å
186	L	97.6	Very high	95.7	Very high	24 Å²	24	28.5 Å²	28.5	13%	0.126	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	122.6	177.2	-179.6	57.8	0	0	0	108.6	H123 H124 Y125 E190 L191 L210	H123-L186 HydrophobicContact CB-CB 3.84Å; H123-L186 HydrophobicContact CB-CD2 3.55Å; H123-L186 HydrophobicContact CB-CG 4.36Å; H124-L186 WeakPolarHBondContact O-CD2 3.47Å; Y125-L186 HydrophobicContact CD2-CD2 4.22Å; L186-E190 WeakPolarHBondContact CD1-O 3.38Å; L186-L191 HydrophobicContact CB-CD1 4.17Å; L186-L191 HydrophobicContact CD1-CB 4.14Å; L186-L210 HydrophobicContact CD1-CD1 4.47Å
187	I	95.4	Very high	95.5	Very high	10 Å²	10	27.3 Å²	27.3	5%	0.051	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	87.5	-171.9	-41.6	169	0	0	0	110.1	V185 E190 Y192 W236 I248	V185-I187 HydrophobicContact CG1-CD1 4.17Å; V185-I187 HydrophobicContact CG1-CG1 4.31Å; V185-I187 HydrophobicContact CG2-CD1 4.4Å; V185-I187 HydrophobicContact CG2-CG1 3.89Å; I187-E190 PolarHBondContact N-O 2.76Å; I187-Y192 HydrophobicContact CD1-CD2 3.94Å; I187-Y192 HydrophobicContact CD1-CE2 3.99Å; I187-Y192 HydrophobicContact CG1-CD2 4.29Å; I187-Y192 HydrophobicContact CG1-CE2 4.43Å; I187-W236 HydrophobicContact CD1-CB 3.75Å; I187-W236 HydrophobicContact CD1-CG 4.06Å; I187-W236 HydrophobicContact CG1-CB 4.25Å; I187-W236 HydrophobicContact CG2-CD2 4.15Å; I187-W236 HydrophobicContact CG2-CE3 4.4Å; I187-W236 HydrophobicContact CG2-CG 4.33Å; I187-I248 HydrophobicContact CD1-CD1 3.44Å; I187-I248 VanDerWaalsContact CD1-CD1 3.44Å; I187-I248 HydrophobicContact CD1-CG1 3.75Å
188	G	93	Very high	95.2	Very high	55 Å²	55	28.4 Å²	28.4	57%	0.567	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.2	-126	-167	0	0	0	0	0	109.7
189	D	93.4	Very high	94.9	Very high	67 Å²	67	31.6 Å²	31.6	36%	0.358	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	1.9	177.6	59.7	-25	0	0	0	114.1	Y125 L210 G211	Y125-D189 HydrophobicContact CE2-CB 4.48Å; D189-L210 CarbonylContact O-C 3.58Å; D189-L210 WeakPolarHBondContact O-CB 3.18Å; D189-G211 WeakPolarHBondContact O-CA 3.09Å; D189-G211 PolarHBondContact O-N 3.34Å; D189-G211 VanDerWaalsContact OD2-CA 3.3Å; D189-G211 WeakPolarHBondContact OD2-CA 3.05Å
190	E	96.3	Very high	94.6	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.019	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.2	-174	-63.9	-177.9	143.1	0	0	113.8	L186 I187 Y192 R208 R213	L186-E190 WeakPolarHBondContact CD1-O 3.38Å; I187-E190 PolarHBondContact N-O 2.76Å; E190-Y192 HydrophobicContact CB-CD2 4.36Å; E190-Y192 HydrophobicContact CB-CE2 3.63Å; E190-Y192 PolarHBondContact OE2-OH 3.38Å; E190-R208 HydrophobicContact CB-CG 4.48Å; E190-R208 IonicContact OE1-NE 3.68Å; E190-R213 WeakPolarHBondContact OE1-CB 3.24Å; E190-R213 IonicContact OE1-CZ 2.75Å; E190-R213 IonicContact OE1-NE 2.74Å; E190-R213 PolarHBondContact OE1-NE 3.32Å; E190-R213 IonicContact OE1-NH2 3.28Å; E190-R213 PolarHBondContact OE1-NH2 3.05Å; E190-R213 IonicContact OE2-CZ 3.57Å; E190-R213 IonicContact OE2-NE 2.9Å; E190-R213 IonicContact OE2-NH2 3.56Å; E190-R213 PolarHBondContact OE2-NH2 2.84Å
191	L	97.7	Very high	94.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119.9	175	-179.1	68.4	0	0	0	110.8	Y131 K173 L186 R208 S209 L210	Y131-L191 HydrophobicContact CD1-CD2 4.32Å; Y131-L191 HydrophobicContact CE1-CD2 3.92Å; K173-L191 HydrophobicContact CB-CD2 3.88Å; K173-L191 HydrophobicContact CD-CD2 4.49Å; K173-L191 HydrophobicContact CG-CD2 4.16Å; L186-L191 HydrophobicContact CB-CD1 4.17Å; L186-L191 HydrophobicContact CD1-CB 4.14Å; L191-R208 WeakPolarHBondContact O-CA 3.04Å; L191-S209 PolarHBondContact N-O 2.91Å; L191-S209 PolarHBondContact O-N 2.77Å; L191-S209 PolarHBondContact O-OG 3.03Å; L191-L210 HydrophobicContact CB-CD1 3.91Å; L191-L210 HydrophobicContact CB-CG 4.22Å
192	Y	98.4	Very high	93.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.8	172.8	-61.2	-107.2	0	0	0	108.6	T184 V185 I187 E190 F207 R208 I248 R275 W288	T184-Y192 VanDerWaalsContact CA-O 3.31Å; T184-Y192 WeakPolarHBondContact CA-O 3.5Å; V185-Y192 PolarHBondContact N-O 3.42Å; V185-Y192 PolarHBondContact O-N 2.91Å; I187-Y192 HydrophobicContact CD1-CD2 3.94Å; I187-Y192 HydrophobicContact CD1-CE2 3.99Å; I187-Y192 HydrophobicContact CG1-CD2 4.29Å; I187-Y192 HydrophobicContact CG1-CE2 4.43Å; E190-Y192 HydrophobicContact CB-CD2 4.36Å; E190-Y192 HydrophobicContact CB-CE2 3.63Å; E190-Y192 PolarHBondContact OE2-OH 3.38Å; Y192-F207 CarbonylContact C-O 3.6Å; Y192-F207 WeakPolarHBondContact CA-O 3.42Å; Y192-R208 HydrophobicContact CD1-CB 4.07Å; Y192-R208 HydrophobicContact CD1-CG 4.3Å; Y192-R208 HydrophobicContact CE1-CB 4.08Å; Y192-R208 HydrophobicContact CE1-CG 4.01Å; Y192-R208 HydrophobicContact CE2-CG 4.36Å; Y192-R208 VanDerWaalsContact CZ-CD 3.45Å; Y192-R208 VanDerWaalsContact OH-CD 3.31Å; Y192-R208 WeakPolarHBondContact OH-CD 2.9Å; Y192-I248 HydrophobicContact CD1-CD1 3.33Å; Y192-I248 HydrophobicContact CD2-CD1 3.8Å; Y192-I248 HydrophobicContact CE1-CD1 3.24Å; Y192-I248 HydrophobicContact CE2-CD1 3.77Å; Y192-I248 HydrophobicContact CG-CD1 3.62Å; Y192-I248 VanDerWaalsContact CZ-CD1 3.49Å; Y192-R275 PolarHBondContact OH-O 2.89Å; Y192-R275 VanDerWaalsContact OH-O 3.06Å; Y192-W288 AromaticContact CD1-CH2 3.91Å; Y192-W288 HydrophobicContact CD1-CH2 3.91Å; Y192-W288 HydrophobicContact CD1-CZ2 4.36Å; Y192-W288 AromaticContact CE1-CH2 3.73Å; Y192-W288 HydrophobicContact CE1-CH2 3.73Å; Y192-W288 HydrophobicContact CE1-CZ3 4.45Å
193	A	98.3	Very high	93.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	124.7	-168.9	0	0	0	0	0	113.1	G172 A183 T184 V195 I206 F207	G172-A193 WeakPolarHBondContact O-CB 3.44Å; A183-A193 CarbonylContact O-C 3.51Å; A183-A193 WeakPolarHBondContact O-CA 3.49Å; T184-A193 HydrophobicContact CG2-CB 3.77Å; A193-V195 HydrophobicContact CB-CG2 4.48Å; A193-I206 CarbonylContact O-C 3.57Å; A193-I206 WeakPolarHBondContact O-CA 3.11Å; A193-F207 PolarHBondContact N-O 2.87Å; A193-F207 PolarHBondContact O-N 3Å
194	G	97.9	Very high	93.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	106.8	167.3	0	0	0	0	0	109.7	A182 A183 T205 F231	A182-G194 WeakPolarHBondContact CA-O 3.32Å; A183-G194 PolarHBondContact N-O 3.12Å; A183-G194 VanDerWaalsContact N-O 3.07Å; A183-G194 PolarHBondContact O-N 2.86Å; G194-T205 WeakPolarHBondContact CA-O 3.43Å; G194-F231 VanDerWaalsContact C-CE2 3.44Å; G194-F231 VanDerWaalsContact O-CD2 3.26Å; G194-F231 WeakPolarHBondContact O-CD2 3.36Å; G194-F231 WeakPolarHBondContact O-CG 3.38Å
195	V	96.4	Very high	93.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	165.1	-171	-75	0	0	0	0	112.9	G172 A182 A193 T197 T205 F231	G172-V195 WeakPolarHBondContact O-CG2 3.4Å; A182-V195 HydrophobicContact CB-CG1 3.53Å; A193-V195 HydrophobicContact CB-CG2 4.48Å; V195-T197 HydrophobicContact CG2-CG2 3.97Å; V195-T205 HydrophobicContact CG2-CG2 4.47Å; V195-T205 PolarHBondContact N-O 2.77Å; V195-T205 PolarHBondContact O-N 2.78Å; V195-F231 VanDerWaalsContact N-CE2 3.34Å
196	A	94.8	Very high	93.6	Very high	2 Å²	2	31.2 Å²	31.2	2%	0.017	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	131.8	163	0	0	0	0	0	110	H180 D203 F204	H180-A196 WeakPolarHBondContact ND1-CB 3.18Å; A196-D203 CarbonylContact C-O 3.53Å; A196-D203 WeakPolarHBondContact CA-O 3.39Å; A196-F204 HydrophobicContact CB-CD1 3.82Å; A196-F204 HydrophobicContact CB-CE1 3.78Å
197	T	91.6	Very high	93.6	Very high	8 Å²	8	32 Å²	32	5%	0.049	17%	0.168	C	C	.	.			trans	-114.1	13.3	-164.2	34.3	0	0	0	0	115.5	Y176 V195 D203 T205	Y176-T197 VanDerWaalsContact CE2-C 3.42Å; Y176-T197 WeakPolarHBondContact CE2-O 3.23Å; V195-T197 HydrophobicContact CG2-CG2 3.97Å; T197-D203 PolarHBondContact N-O 3.4Å; T197-D203 PolarHBondContact OG1-O 3.24Å; T197-D203 PolarHBondContact OG1-OD2 3.15Å; T197-T205 HydrophobicContact CG2-CG2 3.6Å
198	D	88.9	Confident	93.6	Very high	35 Å²	35	31.6 Å²	31.6	19%	0.187	17%	0.166	C	C	.	.	S	Bend	trans	-138.3	159.9	178.5	73.8	-54.8	0	0	0	113.4	M200 G201 R202 D203	D198-M200 PolarHBondContact O-N 2.73Å; D198-M200 WeakPolarHBondContact OD2-CA 3.37Å; D198-M200 VanDerWaalsContact OD2-CB 3.27Å; D198-M200 WeakPolarHBondContact OD2-CB 3.48Å; D198-M200 PolarHBondContact OD2-N 2.8Å; D198-M200 VanDerWaalsContact OD2-N 3.11Å; D198-G201 PolarHBondContact O-N 2.76Å; D198-G201 WeakPolarHBondContact OD1-CA 3.12Å; D198-G201 PolarHBondContact OD1-N 3.37Å; D198-G201 PolarHBondContact OD2-N 2.8Å; D198-G201 VanDerWaalsContact OD2-N 3.16Å; D198-R202 PolarHBondContact OD1-N 2.57Å; D198-R202 PolarHBondContact OD2-N 3.12Å; D198-D203 HydrophobicContact CB-CB 4.14Å; D198-D203 PolarHBondContact OD1-N 3.44Å
199	L	86.6	Confident	93.7	Very high	81 Å²	81	29.2 Å²	29.2	42%	0.424	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.2	177.9	-174.8	69.2	0	0	0	113.6	A107 F138	A107-L199 HydrophobicContact CB-CD2 4.36Å; F138-L199 HydrophobicContact CB-CD1 3.68Å; F138-L199 HydrophobicContact CD1-CD1 3.68Å; F138-L199 HydrophobicContact CG-CD1 3.94Å
200	M	86.4	Confident	93.7	Very high	129 Å²	129	27.6 Å²	27.6	64%	0.635	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-11.1	-179.1	-47	-170	81.7	0	0	113.4	D198 R202	D198-M200 PolarHBondContact O-N 2.73Å; D198-M200 WeakPolarHBondContact OD2-CA 3.37Å; D198-M200 VanDerWaalsContact OD2-CB 3.27Å; D198-M200 WeakPolarHBondContact OD2-CB 3.48Å; D198-M200 PolarHBondContact OD2-N 2.8Å; D198-M200 VanDerWaalsContact OD2-N 3.11Å; M200-R202 HydrophobicContact CB-CG 3.98Å
201	G	84	Confident	93.4	Very high	14 Å²	14	29.1 Å²	29.1	14%	0.144	15%	0.149	C	C	.	.	S	Bend	trans	65.8	43.3	-175.7	0	0	0	0	0	113.5	D198 F204	D198-G201 PolarHBondContact O-N 2.76Å; D198-G201 WeakPolarHBondContact OD1-CA 3.12Å; D198-G201 PolarHBondContact OD1-N 3.37Å; D198-G201 PolarHBondContact OD2-N 2.8Å; D198-G201 VanDerWaalsContact OD2-N 3.16Å; G201-F204 VanDerWaalsContact O-CE2 3.27Å; G201-F204 WeakPolarHBondContact O-CE2 3.49Å; G201-F204 WeakPolarHBondContact O-CZ 3.48Å
202	R	87.1	Confident	93.1	Very high	181 Å²	181	38.7 Å²	38.7	68%	0.683	19%	0.19	S	C	*	.			trans	-119.8	-29	-177.7	-65.8	178.2	175.5	-176.4	-3.6	114	D198 M200 F204	D198-R202 PolarHBondContact OD1-N 2.57Å; D198-R202 PolarHBondContact OD2-N 3.12Å; M200-R202 HydrophobicContact CB-CG 3.98Å; R202-F204 WeakPolarHBondContact O-CD2 3.47Å
203	D	92.6	Very high	92.8	Very high	21 Å²	21	42.4 Å²	42.4	11%	0.112	21%	0.205	C	C	.	.			trans	-87.8	113	171.1	-173.9	47.1	0	0	0	107.8	A196 T197 D198 R217 Q220	A196-D203 CarbonylContact C-O 3.53Å; A196-D203 WeakPolarHBondContact CA-O 3.39Å; T197-D203 PolarHBondContact N-O 3.4Å; T197-D203 PolarHBondContact OG1-O 3.24Å; T197-D203 PolarHBondContact OG1-OD2 3.15Å; D198-D203 HydrophobicContact CB-CB 4.14Å; D198-D203 PolarHBondContact OD1-N 3.44Å; D203-R217 VanDerWaalsContact CG-NH2 3.25Å; D203-R217 IonicContact OD1-CZ 3.47Å; D203-R217 IonicContact OD1-NH2 3.16Å; D203-R217 PolarHBondContact OD1-NH2 2.89Å; D203-R217 IonicContact OD2-CZ 2.79Å; D203-R217 IonicContact OD2-NH1 3.68Å; D203-R217 PolarHBondContact OD2-NH1 3.47Å; D203-R217 IonicContact OD2-NH2 2.73Å; D203-R217 PolarHBondContact OD2-NH2 3.15Å; D203-Q220 PolarHBondContact OD1-NE2 3.05Å; D203-Q220 PolarHBondContact OD2-NE2 2.92Å
204	F	95.4	Very high	92.3	Very high	23 Å²	23	44.5 Å²	44.5	10%	0.101	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	141.5	177.4	-62.3	-91.7	0	0	0	109.4	H180 A196 G201 R202 P229 F231	H180-F204 AromaticContact CE1-CE1 3.92Å; A196-F204 HydrophobicContact CB-CD1 3.82Å; A196-F204 HydrophobicContact CB-CE1 3.78Å; G201-F204 VanDerWaalsContact O-CE2 3.27Å; G201-F204 WeakPolarHBondContact O-CE2 3.49Å; G201-F204 WeakPolarHBondContact O-CZ 3.48Å; R202-F204 WeakPolarHBondContact O-CD2 3.47Å; F204-P229 HydrophobicContact CB-CG 3.52Å; F204-P229 HydrophobicContact CD1-CG 3.86Å; F204-P229 WeakPolarHBondContact CD1-O 3.33Å; F204-P229 HydrophobicContact CD2-CG 4.46Å; F204-P229 WeakPolarHBondContact CE1-O 3.04Å; F204-P229 HydrophobicContact CG-CG 3.71Å; F204-F231 HydrophobicContact CD1-CE2 4.48Å
205	T	96.1	Very high	92.1	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	151.5	-179.3	-170.6	0	0	0	0	113.1	G194 V195 T197 F207 R217 T218	G194-T205 WeakPolarHBondContact CA-O 3.43Å; V195-T205 HydrophobicContact CG2-CG2 4.47Å; V195-T205 PolarHBondContact N-O 2.77Å; V195-T205 PolarHBondContact O-N 2.78Å; T197-T205 HydrophobicContact CG2-CG2 3.6Å; T205-F207 HydrophobicContact CG2-CB 4.12Å; T205-R217 WeakPolarHBondContact OG1-CB 3.43Å; T205-T218 VanDerWaalsContact CA-OG1 3.31Å; T205-T218 WeakPolarHBondContact CA-OG1 3.49Å; T205-T218 PolarHBondContact OG1-N 3.12Å; T205-T218 PolarHBondContact OG1-OG1 2.82Å
206	I	98.2	Very high	92.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.5	153.3	-59	164.3	0	0	0	106.9	A193 R217 T218 L226 F231 F250 L273 W288 F291	A193-I206 CarbonylContact O-C 3.57Å; A193-I206 WeakPolarHBondContact O-CA 3.11Å; I206-R217 CarbonylContact O-C 3.55Å; I206-R217 WeakPolarHBondContact O-CA 3.3Å; I206-T218 HydrophobicContact CB-CG2 3.92Å; I206-T218 HydrophobicContact CG1-CG2 4.45Å; I206-T218 PolarHBondContact N-OG1 2.65Å; I206-T218 PolarHBondContact O-N 3.03Å; I206-T218 VanDerWaalsContact O-N 3.12Å; I206-L226 HydrophobicContact CG1-CD1 4.5Å; I206-F231 HydrophobicContact CD1-CE1 4.26Å; I206-F231 HydrophobicContact CG1-CE1 3.73Å; I206-F231 HydrophobicContact CG1-CZ 4.08Å; I206-F250 HydrophobicContact CD1-CB 3.89Å; I206-F250 HydrophobicContact CD1-CD1 4.26Å; I206-F250 HydrophobicContact CD1-CD2 4.17Å; I206-F250 HydrophobicContact CD1-CG 3.83Å; I206-F250 HydrophobicContact CG1-CD1 4.17Å; I206-F250 HydrophobicContact CG1-CG 4.22Å; I206-F250 HydrophobicContact CG2-CD1 4.22Å; I206-F250 HydrophobicContact CG2-CD2 3.83Å; I206-F250 HydrophobicContact CG2-CE1 3.93Å; I206-F250 HydrophobicContact CG2-CE2 3.48Å; I206-F250 VanDerWaalsContact CG2-CE2 3.48Å; I206-F250 HydrophobicContact CG2-CG 4.19Å; I206-F250 HydrophobicContact CG2-CZ 3.55Å; I206-L273 HydrophobicContact CG2-CD1 3.65Å; I206-W288 PolarHBondContact O-NE1 2.76Å; I206-F291 HydrophobicContact CD1-CD2 4.39Å; I206-F291 HydrophobicContact CD1-CE2 3.64Å; I206-F291 HydrophobicContact CD1-CZ 4.27Å
207	F	96.3	Very high	92.1	Very high	42 Å²	42	49.6 Å²	49.6	18%	0.184	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	142.3	-170.1	-168.8	-128.5	0	0	0	111.1	G172 Y192 A193 T205 I216 R217	G172-F207 WeakPolarHBondContact O-CD1 3.3Å; Y192-F207 CarbonylContact C-O 3.6Å; Y192-F207 WeakPolarHBondContact CA-O 3.42Å; A193-F207 PolarHBondContact N-O 2.87Å; A193-F207 PolarHBondContact O-N 3Å; T205-F207 HydrophobicContact CG2-CB 4.12Å; F207-I216 CarbonylContact C-O 3.59Å; F207-I216 VanDerWaalsContact CA-O 3.3Å; F207-I216 WeakPolarHBondContact CA-O 3.43Å; F207-I216 VanDerWaalsContact CD2-O 3.22Å; F207-I216 WeakPolarHBondContact CD2-O 3.36Å; F207-R217 HydrophobicContact CD2-CB 3.74Å; F207-R217 HydrophobicContact CE2-CB 4.23Å
208	R	97.1	Very high	92.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133.1	159.9	179.1	177.7	70.7	-148.2	-3.5	109.3	E190 L191 Y192 P214 S215 I216 D277 W288	E190-R208 HydrophobicContact CB-CG 4.48Å; E190-R208 IonicContact OE1-NE 3.68Å; L191-R208 WeakPolarHBondContact O-CA 3.04Å; Y192-R208 HydrophobicContact CD1-CB 4.07Å; Y192-R208 HydrophobicContact CD1-CG 4.3Å; Y192-R208 HydrophobicContact CE1-CB 4.08Å; Y192-R208 HydrophobicContact CE1-CG 4.01Å; Y192-R208 HydrophobicContact CE2-CG 4.36Å; Y192-R208 VanDerWaalsContact CZ-CD 3.45Å; Y192-R208 VanDerWaalsContact OH-CD 3.31Å; Y192-R208 WeakPolarHBondContact OH-CD 2.9Å; R208-P214 PolarHBondContact NE-O 2.83Å; R208-P214 PolarHBondContact NH2-O 2.89Å; R208-S215 VanDerWaalsContact O-CA 3.27Å; R208-S215 WeakPolarHBondContact O-CA 3.34Å; R208-S215 WeakPolarHBondContact O-CB 3.28Å; R208-I216 PolarHBondContact N-O 2.78Å; R208-I216 PolarHBondContact O-N 2.68Å; R208-D277 PolarHBondContact NH1-O 3.09Å; R208-D277 PolarHBondContact NH2-O 3.22Å; R208-W288 HydrophobicContact CB-CH2 3.62Å; R208-W288 HydrophobicContact CB-CZ2 3.78Å
209	S	94.9	Very high	92.7	Very high	5 Å²	5	48.3 Å²	48.3	4%	0.035	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	172.2	176.9	64.7	0	0	0	0	110.2	L191	L191-S209 PolarHBondContact N-O 2.91Å; L191-S209 PolarHBondContact O-N 2.77Å; L191-S209 PolarHBondContact O-OG 3.03Å
210	L	92.8	Very high	92.9	Very high	33 Å²	33	47.9 Å²	47.9	17%	0.173	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.6	-177	-171.1	-48.5	-179.5	0	0	0	112.5	Y131 L186 D189 L191	Y131-L210 HydrophobicContact CD1-CD1 4.22Å; Y131-L210 HydrophobicContact CD2-CD1 4.46Å; Y131-L210 HydrophobicContact CE1-CD1 3.84Å; Y131-L210 HydrophobicContact CE2-CD1 4.09Å; L186-L210 HydrophobicContact CD1-CD1 4.47Å; D189-L210 CarbonylContact O-C 3.58Å; D189-L210 WeakPolarHBondContact O-CB 3.18Å; L191-L210 HydrophobicContact CB-CD1 3.91Å; L191-L210 HydrophobicContact CB-CG 4.22Å
211	G	90.8	Very high	93	Very high	36 Å²	36	50 Å²	50	37%	0.371	24%	0.242	S	C	.	.	S	Bend	trans	66.5	-168	-175.9	0	0	0	0	0	114.5	D189	D189-G211 WeakPolarHBondContact O-CA 3.09Å; D189-G211 PolarHBondContact O-N 3.34Å; D189-G211 VanDerWaalsContact OD2-CA 3.3Å; D189-G211 WeakPolarHBondContact OD2-CA 3.05Å
212	K	90.4	Very high	93.5	Very high	202 Å²	202	50.6 Å²	50.6	88%	0.878	24%	0.242	S	C	*	.	S	Bend	trans	-98.6	-10.8	-176.4	-59.8	-180	-174.7	176.7	0	114.4
213	R	91.2	Very high	93.8	Very high	78 Å²	78	44.3 Å²	44.3	29%	0.294	23%	0.226	S	C	.	.	S	Bend	trans	-81.8	154.1	179.1	-71.1	-165.9	-83.4	-151.6	1.8	110.4	E190 S215 R275 M278	E190-R213 WeakPolarHBondContact OE1-CB 3.24Å; E190-R213 IonicContact OE1-CZ 2.75Å; E190-R213 IonicContact OE1-NE 2.74Å; E190-R213 PolarHBondContact OE1-NE 3.32Å; E190-R213 IonicContact OE1-NH2 3.28Å; E190-R213 PolarHBondContact OE1-NH2 3.05Å; E190-R213 IonicContact OE2-CZ 3.57Å; E190-R213 IonicContact OE2-NE 2.9Å; E190-R213 IonicContact OE2-NH2 3.56Å; E190-R213 PolarHBondContact OE2-NH2 2.84Å; R213-S215 PolarHBondContact O-N 3.37Å; R213-R275 PolarHBondContact NH2-O 2.65Å; R213-M278 HydrophobicContact CB-SD 4.22Å; R213-M278 WeakPolarHBondContact CD-SD 3.48Å; R213-M278 HydrophobicContact CG-SD 3.92Å
214	P	88.3	Confident	93.8	Very high	43 Å²	43	47.6 Å²	47.6	28%	0.279	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-58.4	142.2	174.8	25.5	-35	0	0	0	110.7	R208 M278	R208-P214 PolarHBondContact NE-O 2.83Å; R208-P214 PolarHBondContact NH2-O 2.89Å; P214-M278 HydrophobicContact CG-CE 4.01Å; P214-M278 HydrophobicContact CG-SD 4.44Å
215	S	93.8	Very high	93.9	Very high	60 Å²	60	46.6 Å²	46.6	42%	0.42	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-63.9	135.3	171.3	-48.6	0	0	0	0	110.1	R208 R213	R208-S215 VanDerWaalsContact O-CA 3.27Å; R208-S215 WeakPolarHBondContact O-CA 3.34Å; R208-S215 WeakPolarHBondContact O-CB 3.28Å; R213-S215 PolarHBondContact O-N 3.37Å
216	I	96	Very high	93.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	137.1	-176.4	-61.7	-174.3	0	0	0	109.7	F207 R208 D277 M278 G279 N286 W288	F207-I216 CarbonylContact C-O 3.59Å; F207-I216 VanDerWaalsContact CA-O 3.3Å; F207-I216 WeakPolarHBondContact CA-O 3.43Å; F207-I216 VanDerWaalsContact CD2-O 3.22Å; F207-I216 WeakPolarHBondContact CD2-O 3.36Å; R208-I216 PolarHBondContact N-O 2.78Å; R208-I216 PolarHBondContact O-N 2.68Å; I216-D277 VanDerWaalsContact CD1-O 3.28Å; I216-D277 WeakPolarHBondContact CD1-O 3.38Å; I216-M278 VanDerWaalsContact CD1-C 3.49Å; I216-G279 VanDerWaalsContact CD1-N 3.34Å; I216-N286 WeakPolarHBondContact CA-O 3.3Å; I216-W288 HydrophobicContact CB-CD2 4.17Å; I216-W288 HydrophobicContact CB-CE3 4.23Å; I216-W288 HydrophobicContact CB-CH2 4.13Å; I216-W288 HydrophobicContact CB-CZ2 4.07Å; I216-W288 HydrophobicContact CB-CZ3 4.21Å; I216-W288 HydrophobicContact CD1-CE3 4.45Å; I216-W288 HydrophobicContact CD1-CZ3 4.34Å; I216-W288 HydrophobicContact CG2-CB 4.25Å; I216-W288 HydrophobicContact CG2-CD2 3.35Å; I216-W288 HydrophobicContact CG2-CE3 3.62Å; I216-W288 HydrophobicContact CG2-CG 3.67Å; I216-W288 HydrophobicContact CG2-CH2 4.34Å; I216-W288 HydrophobicContact CG2-CZ2 4.14Å; I216-W288 HydrophobicContact CG2-CZ3 4.11Å
217	R	96.3	Very high	93.8	Very high	49 Å²	49	48.7 Å²	48.7	19%	0.185	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	163.7	177.6	76.5	170.8	-61.5	161.5	1.6	114.1	D203 T205 I206 F207 Q220 N286 K287 W288	D203-R217 VanDerWaalsContact CG-NH2 3.25Å; D203-R217 IonicContact OD1-CZ 3.47Å; D203-R217 IonicContact OD1-NH2 3.16Å; D203-R217 PolarHBondContact OD1-NH2 2.89Å; D203-R217 IonicContact OD2-CZ 2.79Å; D203-R217 IonicContact OD2-NH1 3.68Å; D203-R217 PolarHBondContact OD2-NH1 3.47Å; D203-R217 IonicContact OD2-NH2 2.73Å; D203-R217 PolarHBondContact OD2-NH2 3.15Å; T205-R217 WeakPolarHBondContact OG1-CB 3.43Å; I206-R217 CarbonylContact O-C 3.55Å; I206-R217 WeakPolarHBondContact O-CA 3.3Å; F207-R217 HydrophobicContact CD2-CB 3.74Å; F207-R217 HydrophobicContact CE2-CB 4.23Å; R217-Q220 VanDerWaalsContact NH1-NE2 3.2Å; R217-N286 PolarHBondContact N-O 3.04Å; R217-K287 WeakPolarHBondContact O-CA 3.24Å; R217-W288 PolarHBondContact O-N 3.4Å; R217-W288 VanDerWaalsContact O-N 3.1Å
218	T	97.2	Very high	93.7	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-71.4	153.8	165.2	46.6	0	0	0	0	110.4	T205 I206 Q220 W225 L226	T205-T218 VanDerWaalsContact CA-OG1 3.31Å; T205-T218 WeakPolarHBondContact CA-OG1 3.49Å; T205-T218 PolarHBondContact OG1-N 3.12Å; T205-T218 PolarHBondContact OG1-OG1 2.82Å; I206-T218 HydrophobicContact CB-CG2 3.92Å; I206-T218 HydrophobicContact CG1-CG2 4.45Å; I206-T218 PolarHBondContact N-OG1 2.65Å; I206-T218 PolarHBondContact O-N 3.03Å; I206-T218 VanDerWaalsContact O-N 3.12Å; T218-Q220 PolarHBondContact O-N 2.84Å; T218-W225 HydrophobicContact CG2-CE3 3.87Å; T218-W225 HydrophobicContact CG2-CZ3 4.16Å; T218-L226 HydrophobicContact CG2-CD1 4.2Å; T218-L226 WeakPolarHBondContact OG1-CD1 3.33Å
219	E	95.1	Very high	93.7	Very high	15 Å²	15	51.1 Å²	51.1	7%	0.07	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-59.3	134	177.1	-174.5	131.9	-123.5	0	0	111.4	D222 W225 K287 R410	E219-D222 HydrophobicContact CG-CB 4.26Å; E219-W225 HydrophobicContact CB-CD2 3.79Å; E219-W225 HydrophobicContact CB-CE3 4.37Å; E219-W225 HydrophobicContact CB-CG 4.01Å; E219-W225 HydrophobicContact CB-CZ2 4.07Å; E219-K287 HydrophobicContact CB-CD 4.37Å; E219-K287 HydrophobicContact CG-CD 4.5Å; E219-K287 IonicContact OE1-NZ 2.74Å; E219-K287 PolarHBondContact OE1-NZ 3.26Å; E219-R410 IonicContact OE1-CZ 2.79Å; E219-R410 IonicContact OE1-NE 3.24Å; E219-R410 IonicContact OE1-NH2 2.7Å; E219-R410 PolarHBondContact OE1-NH2 3.03Å; E219-R410 WeakPolarHBondContact OE2-CG 3.27Å; E219-R410 IonicContact OE2-CZ 3.71Å; E219-R410 IonicContact OE2-NE 3.2Å; E219-R410 PolarHBondContact OE2-NE 2.81Å; E219-R410 IonicContact OE2-NH2 3.67Å; E219-R410 PolarHBondContact OE2-NH2 2.95Å
220	Q	92.1	Very high	93.8	Very high	72 Å²	72	54.7 Å²	54.7	34%	0.336	27%	0.27	S	S	.	.	S	Bend	trans	-84.2	147.2	-178.6	-64.5	-174.8	-100.1	0	0	111.2	D203 R217 T218 D222	D203-Q220 PolarHBondContact OD1-NE2 3.05Å; D203-Q220 PolarHBondContact OD2-NE2 2.92Å; R217-Q220 VanDerWaalsContact NH1-NE2 3.2Å; T218-Q220 PolarHBondContact O-N 2.84Å; Q220-D222 PolarHBondContact O-N 3.02Å; Q220-D222 VanDerWaalsContact O-N 3.07Å
221	H	88.4	Confident	94	Very high	174 Å²	174	53.4 Å²	53.4	81%	0.806	26%	0.263	S	S	*	.	S	Bend	trans	61	10	175.2	-44.5	-58.8	0	0	0	115.8
222	D	93.1	Very high	94.3	Very high	26 Å²	26	53 Å²	53	14%	0.139	25%	0.253	C	S	.	.			trans	-103.6	107.1	171.2	-167.6	-31	0	0	0	110.7	E219 Q220 R224 W225 L226	E219-D222 HydrophobicContact CG-CB 4.26Å; Q220-D222 PolarHBondContact O-N 3.02Å; Q220-D222 VanDerWaalsContact O-N 3.07Å; D222-R224 PolarHBondContact O-N 2.83Å; D222-R224 WeakPolarHBondContact OD1-CB 3.38Å; D222-R224 WeakPolarHBondContact OD1-CG 3.04Å; D222-R224 IonicContact OD1-CZ 3.03Å; D222-R224 PolarHBondContact OD1-N 2.81Å; D222-R224 IonicContact OD1-NE 3.78Å; D222-R224 PolarHBondContact OD1-NE 3.44Å; D222-R224 IonicContact OD1-NH2 3.92Å; D222-R224 IonicContact OD2-CZ 3.28Å; D222-R224 VanDerWaalsContact OD2-CZ 3.28Å; D222-R224 IonicContact OD2-NE 3.02Å; D222-R224 PolarHBondContact OD2-NE 3.32Å; D222-R224 VanDerWaalsContact OD2-NE 3.08Å; D222-R224 IonicContact OD2-NH2 2.67Å; D222-R224 PolarHBondContact OD2-NH2 2.9Å; D222-W225 WeakPolarHBondContact O-CB 3.26Å; D222-W225 PolarHBondContact O-N 3.42Å; D222-L226 PolarHBondContact O-N 3.19Å
223	S	93.1	Very high	94.6	Very high	49 Å²	49	43.9 Å²	43.9	34%	0.343	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.3	-178.9	55.3	0	0	0	0	114	W225 V257	S223-W225 PolarHBondContact O-N 2.91Å; S223-V257 WeakPolarHBondContact O-CG1 3.17Å
224	R	93.9	Very high	95	Very high	90 Å²	90	40.7 Å²	40.7	34%	0.34	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-34.7	170.5	-60.7	174.1	-74.8	-162.8	-3.7	110.8	D222 K293 H411 P413	D222-R224 PolarHBondContact O-N 2.83Å; D222-R224 WeakPolarHBondContact OD1-CB 3.38Å; D222-R224 WeakPolarHBondContact OD1-CG 3.04Å; D222-R224 IonicContact OD1-CZ 3.03Å; D222-R224 PolarHBondContact OD1-N 2.81Å; D222-R224 IonicContact OD1-NE 3.78Å; D222-R224 PolarHBondContact OD1-NE 3.44Å; D222-R224 IonicContact OD1-NH2 3.92Å; D222-R224 IonicContact OD2-CZ 3.28Å; D222-R224 VanDerWaalsContact OD2-CZ 3.28Å; D222-R224 IonicContact OD2-NE 3.02Å; D222-R224 PolarHBondContact OD2-NE 3.32Å; D222-R224 VanDerWaalsContact OD2-NE 3.08Å; D222-R224 IonicContact OD2-NH2 2.67Å; D222-R224 PolarHBondContact OD2-NH2 2.9Å; R224-K293 WeakPolarHBondContact O-CE 3.06Å; R224-K293 PolarHBondContact O-NZ 3.43Å; R224-H411 PolarHBondContact NH1-CD2 2.74Å; R224-P413 HydrophobicContact CB-CG 3.96Å; R224-P413 WeakPolarHBondContact O-CG 3.26Å
225	W	96.4	Very high	95.4	Very high	3 Å²	3	41.2 Å²	41.2	1%	0.011	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-59.7	178.7	-76	70.7	0	0	0	111.8	T218 E219 D222 S223 L284 W288 F291 K293 R410 P413	T218-W225 HydrophobicContact CG2-CE3 3.87Å; T218-W225 HydrophobicContact CG2-CZ3 4.16Å; E219-W225 HydrophobicContact CB-CD2 3.79Å; E219-W225 HydrophobicContact CB-CE3 4.37Å; E219-W225 HydrophobicContact CB-CG 4.01Å; E219-W225 HydrophobicContact CB-CZ2 4.07Å; D222-W225 WeakPolarHBondContact O-CB 3.26Å; D222-W225 PolarHBondContact O-N 3.42Å; S223-W225 PolarHBondContact O-N 2.91Å; W225-L284 HydrophobicContact CZ2-CD1 4.39Å; W225-L284 HydrophobicContact CZ2-CD2 4.29Å; W225-W288 WeakPolarHBondContact CH2-O 3.34Å; W225-W288 HydrophobicContact CZ3-CB 4.21Å; W225-F291 HydrophobicContact CD2-CD1 4.22Å; W225-F291 HydrophobicContact CE3-CB 4.38Å; W225-F291 AromaticContact CE3-CD1 3.42Å; W225-F291 HydrophobicContact CE3-CD1 3.42Å; W225-F291 VanDerWaalsContact CE3-CD1 3.42Å; W225-F291 HydrophobicContact CE3-CE1 4.02Å; W225-F291 HydrophobicContact CE3-CG 4.15Å; W225-F291 HydrophobicContact CH2-CB 4.38Å; W225-F291 HydrophobicContact CZ3-CB 3.73Å; W225-F291 AromaticContact CZ3-CD1 3.67Å; W225-F291 HydrophobicContact CZ3-CD1 3.67Å; W225-F291 AromaticContact CZ3-CG 3.99Å; W225-F291 HydrophobicContact CZ3-CG 3.99Å; W225-K293 VanDerWaalsContact C-NZ 3.35Å; W225-K293 WeakPolarHBondContact O-CE 3.3Å; W225-K293 PolarHBondContact O-NZ 3.07Å; W225-R410 PolarHBondContact NE1-O 3.15Å; W225-P413 HydrophobicContact CG-CG 4.39Å
226	L	96.8	Very high	95.6	Very high	18 Å²	18	43.9 Å²	43.9	9%	0.094	21%	0.205	C	C	.	.			trans	-147.4	127.9	-179	-69.3	176.6	0	0	0	109.5	I206 T218 D222 P229 F231 F252 F291	I206-L226 HydrophobicContact CG1-CD1 4.5Å; T218-L226 HydrophobicContact CG2-CD1 4.2Å; T218-L226 WeakPolarHBondContact OG1-CD1 3.33Å; D222-L226 PolarHBondContact O-N 3.19Å; L226-P229 HydrophobicContact CB-CG 4.04Å; L226-P229 HydrophobicContact CD1-CG 4.43Å; L226-P229 HydrophobicContact CD2-CB 4.44Å; L226-P229 HydrophobicContact CD2-CG 4.25Å; L226-P229 HydrophobicContact CG-CG 4.47Å; L226-F231 HydrophobicContact CD1-CZ 4.16Å; L226-F252 HydrophobicContact CD2-CD2 4.48Å; L226-F252 HydrophobicContact CD2-CE2 3.75Å; L226-F252 HydrophobicContact CD2-CZ 3.79Å; L226-F291 HydrophobicContact CD2-CZ 4.33Å
227	N	95.4	Very high	95.6	Very high	27 Å²	27	44 Å²	44	14%	0.144	21%	0.206	C	C	.	.	S	Bend	trans	-123.9	95.3	-177.9	-164.7	27.4	0	0	0	112.7	P229 E254 T255 V257	N227-P229 VanDerWaalsContact C-CD 3.45Å; N227-E254 PolarHBondContact N-OE2 2.76Å; N227-E254 VanDerWaalsContact N-OE2 3.15Å; N227-E254 WeakPolarHBondContact O-CB 3.46Å; N227-T255 WeakPolarHBondContact CB-O 3.26Å; N227-T255 WeakPolarHBondContact ND2-CB 3.45Å; N227-T255 PolarHBondContact ND2-O 2.04Å; N227-T255 PolarHBondContact O-N 2.77Å; N227-V257 HydrophobicContact CB-CG1 4.28Å
228	E	94.6	Very high	95.5	Very high	92 Å²	92	42.8 Å²	42.8	43%	0.43	21%	0.205	S	C	.	.	S	Bend	trans	55.7	35.3	-175.7	-52.1	175.2	122.3	0	0	115	T255 K264	E228-T255 PolarHBondContact OE2-OG1 2.86Å; E228-K264 IonicContact OE2-NZ 3.7Å
229	P	96.6	Very high	95.2	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	21%	0.214	C	C	.	.			trans	-62.8	145.1	-166.8	30.9	-40.7	0	0	0	113.9	F204 L226 N227 F231 F252 R253 E254	F204-P229 HydrophobicContact CB-CG 3.52Å; F204-P229 HydrophobicContact CD1-CG 3.86Å; F204-P229 WeakPolarHBondContact CD1-O 3.33Å; F204-P229 HydrophobicContact CD2-CG 4.46Å; F204-P229 WeakPolarHBondContact CE1-O 3.04Å; F204-P229 HydrophobicContact CG-CG 3.71Å; L226-P229 HydrophobicContact CB-CG 4.04Å; L226-P229 HydrophobicContact CD1-CG 4.43Å; L226-P229 HydrophobicContact CD2-CB 4.44Å; L226-P229 HydrophobicContact CD2-CG 4.25Å; L226-P229 HydrophobicContact CG-CG 4.47Å; N227-P229 VanDerWaalsContact C-CD 3.45Å; P229-F231 HydrophobicContact CB-CE2 4.38Å; P229-F231 HydrophobicContact CB-CZ 4.26Å; P229-F231 HydrophobicContact CG-CE2 3.96Å; P229-F231 HydrophobicContact CG-CZ 3.92Å; P229-F252 HydrophobicContact CB-CD2 3.83Å; P229-F252 HydrophobicContact CB-CE2 4.4Å; P229-R253 CarbonylContact C-O 3.34Å; P229-R253 VanDerWaalsContact CA-O 3.25Å; P229-R253 WeakPolarHBondContact CA-O 3.45Å; P229-E254 HydrophobicContact CB-CB 4.34Å
230	K	96.7	Very high	95	Very high	79 Å²	79	45.3 Å²	45.3	34%	0.343	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	106.9	164.4	-52.8	-57.1	167.8	-158.5	0	108.1	H180 F252 R253	H180-K230 PolarHBondContact NE2-NZ 3.49Å; K230-F252 WeakPolarHBondContact O-CA 3.43Å; K230-F252 WeakPolarHBondContact O-CB 3.27Å; K230-R253 HydrophobicContact CB-CG 3.98Å; K230-R253 PolarHBondContact N-O 2.9Å; K230-R253 PolarHBondContact O-N 3.2Å
231	F	97.8	Very high	94.9	Very high	7 Å²	7	49.8 Å²	49.8	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	142.8	179.5	-63.6	-75.6	0	0	0	111.4	A183 G194 V195 F204 I206 L226 P229 F252	A183-F231 HydrophobicContact CB-CB 3.8Å; A183-F231 HydrophobicContact CB-CD1 4.46Å; A183-F231 HydrophobicContact CB-CG 4.46Å; G194-F231 VanDerWaalsContact C-CE2 3.44Å; G194-F231 VanDerWaalsContact O-CD2 3.26Å; G194-F231 WeakPolarHBondContact O-CD2 3.36Å; G194-F231 WeakPolarHBondContact O-CG 3.38Å; V195-F231 VanDerWaalsContact N-CE2 3.34Å; F204-F231 HydrophobicContact CD1-CE2 4.48Å; I206-F231 HydrophobicContact CD1-CE1 4.26Å; I206-F231 HydrophobicContact CG1-CE1 3.73Å; I206-F231 HydrophobicContact CG1-CZ 4.08Å; L226-F231 HydrophobicContact CD1-CZ 4.16Å; P229-F231 HydrophobicContact CB-CE2 4.38Å; P229-F231 HydrophobicContact CB-CZ 4.26Å; P229-F231 HydrophobicContact CG-CE2 3.96Å; P229-F231 HydrophobicContact CG-CZ 3.92Å; F231-F252 HydrophobicContact CD1-CB 3.86Å; F231-F252 HydrophobicContact CD1-CG 4.34Å; F231-F252 HydrophobicContact CE1-CB 4.42Å; F231-F252 HydrophobicContact CE1-CG 4.44Å; F231-F252 HydrophobicContact CG-CB 4.49Å
232	V	97.8	Very high	94.9	Very high	27 Å²	27	43 Å²	43	16%	0.164	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	-52.7	-175.7	174.9	0	0	0	0	111	F251 L313 R314 D315 V316	V232-F251 PolarHBondContact N-O 2.87Å; V232-L313 HydrophobicContact CB-CD2 4.03Å; V232-L313 HydrophobicContact CB-CG 4.47Å; V232-L313 HydrophobicContact CG1-CD2 4.17Å; V232-L313 HydrophobicContact CG1-CG 4.26Å; V232-L313 HydrophobicContact CG2-CD2 3.95Å; V232-L313 HydrophobicContact CG2-CG 4.12Å; V232-R314 WeakPolarHBondContact CG1-O 3.21Å; V232-D315 VanDerWaalsContact CG1-CA 3.48Å; V232-V316 HydrophobicContact CG1-CG2 4.11Å
233	G	97.1	Very high	94.9	Very high	11 Å²	11	45.6 Å²	45.6	11%	0.113	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	165.6	-179.2	0	0	0	0	0	112.8	F251	G233-F251 PolarHBondContact N-O 3.04Å; G233-F251 PolarHBondContact O-N 3.26Å
234	S	98.1	Very high	94.8	Very high	10 Å²	10	45.3 Å²	45.3	7%	0.07	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	139.3	178.4	55.5	0	0	0	0	111.7	A183 T184 V185 F249 F250	A183-S234 VanDerWaalsContact C-OG 3.31Å; T184-S234 VanDerWaalsContact CA-OG 3.31Å; T184-S234 WeakPolarHBondContact CA-OG 3.49Å; T184-S234 PolarHBondContact N-OG 3.03Å; T184-S234 PolarHBondContact O-OG 3.35Å; V185-S234 PolarHBondContact N-OG 3.42Å; S234-F249 CarbonylContact C-O 3.55Å; S234-F249 WeakPolarHBondContact CA-O 3.48Å; S234-F250 VanDerWaalsContact CB-CE1 3.42Å
235	F	98	Very high	94.7	Very high	55 Å²	55	42 Å²	42	24%	0.241	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	140.8	-169.9	-55.9	-88.2	0	0	0	111.8	I248 F249 F251 V316 L318	F235-I248 CarbonylContact O-C 3.58Å; F235-I248 WeakPolarHBondContact O-CA 3.4Å; F235-F249 PolarHBondContact N-O 3.05Å; F235-F249 PolarHBondContact O-N 3.27Å; F235-F251 AromaticContact CD2-CD2 3.82Å; F235-F251 HydrophobicContact CD2-CD2 3.82Å; F235-F251 AromaticContact CD2-CE2 3.74Å; F235-F251 HydrophobicContact CD2-CE2 3.74Å; F235-F251 HydrophobicContact CE2-CD2 4.03Å; F235-F251 HydrophobicContact CE2-CE2 4.23Å; F235-V316 HydrophobicContact CE2-CB 4.08Å; F235-V316 HydrophobicContact CE2-CG1 3.74Å; F235-V316 HydrophobicContact CZ-CB 4.47Å; F235-V316 HydrophobicContact CZ-CG1 4.3Å; F235-V316 WeakPolarHBondContact CZ-O 3.37Å; F235-L318 HydrophobicContact CB-CD2 3.62Å; F235-L318 HydrophobicContact CD1-CB 4.32Å; F235-L318 HydrophobicContact CD1-CD1 4.06Å; F235-L318 HydrophobicContact CD1-CD2 4Å; F235-L318 HydrophobicContact CD1-CG 4.35Å; F235-L318 HydrophobicContact CD2-CD1 3.64Å; F235-L318 HydrophobicContact CD2-CD2 4.33Å; F235-L318 HydrophobicContact CE1-CB 4.47Å; F235-L318 HydrophobicContact CE1-CD1 4.17Å; F235-L318 HydrophobicContact CE2-CD1 3.77Å; F235-L318 HydrophobicContact CG-CD1 3.79Å; F235-L318 HydrophobicContact CG-CD2 3.72Å; F235-L318 HydrophobicContact CG-CG 4.28Å; F235-L318 HydrophobicContact CZ-CD1 4.04Å
236	W	97.1	Very high	94.7	Very high	115 Å²	115	42.1 Å²	42.1	44%	0.436	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	133.5	167	167.5	51	0	0	0	109.7	I187 D246	I187-W236 HydrophobicContact CD1-CB 3.75Å; I187-W236 HydrophobicContact CD1-CG 4.06Å; I187-W236 HydrophobicContact CG1-CB 4.25Å; I187-W236 HydrophobicContact CG2-CD2 4.15Å; I187-W236 HydrophobicContact CG2-CE3 4.4Å; I187-W236 HydrophobicContact CG2-CG 4.33Å; W236-D246 PolarHBondContact NE1-OD1 3.05Å; W236-D246 PolarHBondContact NE1-OD2 2.04Å
237	V	96.9	Very high	94.7	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	126	172.6	-175.8	0	0	0	0	108.6	K247 F249 L318 P327 M351	V237-K247 PolarHBondContact N-O 3.32Å; V237-K247 PolarHBondContact O-N 2.95Å; V237-K247 VanDerWaalsContact O-O 3.12Å; V237-F249 HydrophobicContact CB-CD2 4.19Å; V237-F249 HydrophobicContact CB-CE2 4.04Å; V237-F249 HydrophobicContact CG2-CD2 4.03Å; V237-F249 HydrophobicContact CG2-CE2 4.31Å; V237-L318 HydrophobicContact CG2-CD2 4Å; V237-P327 HydrophobicContact CG1-CG 4.21Å; V237-P327 HydrophobicContact CG2-CG 4.2Å; V237-M351 HydrophobicContact CG1-CE 4.39Å
238	P	94.4	Very high	94.8	Very high	25 Å²	25	41 Å²	41	16%	0.162	21%	0.205	C	C	.	.			trans	-72.4	138.1	172.5	30.5	-34.1	0	0	0	110.4	D246 K324 K325	P238-D246 WeakPolarHBondContact CA-OD1 3.48Å; P238-K324 HydrophobicContact CG-CB 4.19Å; P238-K325 HydrophobicContact CG-CG 4.31Å; P238-K325 VanDerWaalsContact O-CA 3.3Å; P238-K325 WeakPolarHBondContact O-CA 3.43Å; P238-K325 WeakPolarHBondContact O-CB 3.37Å; P238-K325 WeakPolarHBondContact O-CG 3.24Å
239	E	90.9	Very high	95	Very high	41 Å²	41	36.8 Å²	36.8	19%	0.192	19%	0.186	C	C	.	.	S	Bend	trans	-94.2	-28.5	176.5	-64.3	-71.8	98.6	0	0	112.5	D245 K247 R355	E239-D245 HydrophobicContact CB-CB 4.04Å; E239-D245 WeakPolarHBondContact CB-O 3.21Å; E239-D245 VanDerWaalsContact CG-O 3.22Å; E239-D245 WeakPolarHBondContact CG-O 3.24Å; E239-K247 HydrophobicContact CG-CB 4.16Å; E239-K247 HydrophobicContact CG-CD 3.64Å; E239-K247 HydrophobicContact CG-CG 3.75Å; E239-R355 VanDerWaalsContact CD-NE 3.33Å; E239-R355 IonicContact OE1-CZ 2.8Å; E239-R355 IonicContact OE1-NE 2.75Å; E239-R355 PolarHBondContact OE1-NE 3.21Å; E239-R355 IonicContact OE1-NH2 2.94Å; E239-R355 PolarHBondContact OE1-NH2 2.85Å; E239-R355 IonicContact OE2-CZ 3.23Å; E239-R355 IonicContact OE2-NE 2.74Å; E239-R355 PolarHBondContact OE2-NE 2.98Å; E239-R355 IonicContact OE2-NH2 3.36Å
240	S	90.3	Very high	95.1	Very high	27 Å²	27	36.7 Å²	36.7	19%	0.189	19%	0.185	C	C	.	.	S	Bend	trans	-140.5	-164.3	180	93.1	0	0	0	0	111.5	N242 D245 K325	S240-N242 VanDerWaalsContact C-N 3.32Å; S240-N242 PolarHBondContact OG-N 3.07Å; S240-D245 VanDerWaalsContact CB-OD2 3.26Å; S240-D245 WeakPolarHBondContact CB-OD2 3.47Å; S240-D245 PolarHBondContact OG-OD2 3.03Å; S240-K325 WeakPolarHBondContact O-CE 3.05Å
241	E	88.7	Confident	95.2	Very high	167 Å²	167	33.1 Å²	33.1	78%	0.78	17%	0.17	S	C	*	.	S	Bend	trans	-81	-13.3	167.5	-60.3	-57.4	140.5	0	0	112.5	P243 K325	E241-P243 WeakPolarHBondContact O-CD 3.38Å; E241-K325 WeakPolarHBondContact OE1-CE 3.03Å; E241-K325 IonicContact OE1-NZ 2.77Å; E241-K325 PolarHBondContact OE1-NZ 2.8Å
242	N	90.4	Very high	95.3	Very high	32 Å²	32	32.8 Å²	32.8	17%	0.171	17%	0.168	C	C	.	.	S	Bend	trans	-91.5	118.5	177.1	-176.8	1.7	0	0	0	110.3	S240 D244 D245 T391	S240-N242 VanDerWaalsContact C-N 3.32Å; S240-N242 PolarHBondContact OG-N 3.07Å; N242-D244 PolarHBondContact O-N 3.16Å; N242-D244 VanDerWaalsContact O-N 3.09Å; N242-D244 PolarHBondContact OD1-N 3.1Å; N242-D245 PolarHBondContact O-N 2.96Å; N242-T391 PolarHBondContact ND2-OG1 2.91Å
243	P	91.1	Very high	95.3	Very high	79 Å²	79	33.5 Å²	33.5	51%	0.513	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-63	-11.7	176.9	-22.9	34.9	0	0	0	115.3	E241 D245 D246	E241-P243 WeakPolarHBondContact O-CD 3.38Å; P243-D245 PolarHBondContact O-N 2.81Å; P243-D246 VanDerWaalsContact O-CB 3.23Å; P243-D246 WeakPolarHBondContact O-CB 3.34Å; P243-D246 VanDerWaalsContact O-CG 3.31Å; P243-D246 PolarHBondContact O-N 3.1Å
244	D	92.2	Very high	95.2	Very high	43 Å²	43	33.1 Å²	33.1	23%	0.23	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-66.2	-26.4	169.6	-78.7	-36.3	0	0	0	112.8	N242 D246 N276 C387	N242-D244 PolarHBondContact O-N 3.16Å; N242-D244 VanDerWaalsContact O-N 3.09Å; N242-D244 PolarHBondContact OD1-N 3.1Å; D244-D246 VanDerWaalsContact C-N 3.29Å; D244-N276 WeakPolarHBondContact CA-ND2 3.43Å; D244-N276 WeakPolarHBondContact CB-ND2 3.3Å; D244-N276 PolarHBondContact O-ND2 2.84Å; D244-N276 VanDerWaalsContact O-ND2 3.17Å; D244-N276 PolarHBondContact O-OD1 2.73Å; D244-N276 PolarHBondContact OD1-ND2 3.06Å; D244-C387 WeakPolarHBondContact O-CB 3.5Å
245	D	91.9	Very high	95	Very high	21 Å²	21	33.9 Å²	33.9	11%	0.112	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-83.2	-5.3	176.9	-58.8	-41.8	0	0	0	112.6	E239 S240 N242 P243 K247 S389	E239-D245 HydrophobicContact CB-CB 4.04Å; E239-D245 WeakPolarHBondContact CB-O 3.21Å; E239-D245 VanDerWaalsContact CG-O 3.22Å; E239-D245 WeakPolarHBondContact CG-O 3.24Å; S240-D245 VanDerWaalsContact CB-OD2 3.26Å; S240-D245 WeakPolarHBondContact CB-OD2 3.47Å; S240-D245 PolarHBondContact OG-OD2 3.03Å; N242-D245 PolarHBondContact O-N 2.96Å; P243-D245 PolarHBondContact O-N 2.81Å; D245-K247 PolarHBondContact O-N 3.15Å; D245-S389 WeakPolarHBondContact OD1-CB 3.45Å; D245-S389 PolarHBondContact OD1-OG 3.28Å
246	D	95	Very high	94.8	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.027	16%	0.157	C	C	.	.			trans	-54.3	129.5	-176.8	-84.9	-8.3	0	0	0	112.6	W236 P238 P243 D244 R275	W236-D246 PolarHBondContact NE1-OD1 3.05Å; W236-D246 PolarHBondContact NE1-OD2 2.04Å; P238-D246 WeakPolarHBondContact CA-OD1 3.48Å; P243-D246 VanDerWaalsContact O-CB 3.23Å; P243-D246 WeakPolarHBondContact O-CB 3.34Å; P243-D246 VanDerWaalsContact O-CG 3.31Å; P243-D246 PolarHBondContact O-N 3.1Å; D244-D246 VanDerWaalsContact C-N 3.29Å; D246-R275 HydrophobicContact CB-CB 3.66Å; D246-R275 HydrophobicContact CB-CG 4.32Å; D246-R275 WeakPolarHBondContact O-CB 3.49Å; D246-R275 PolarHBondContact O-N 2.86Å; D246-R275 VanDerWaalsContact OD2-CD 3.23Å; D246-R275 WeakPolarHBondContact OD2-CD 3.27Å; D246-R275 IonicContact OD2-CZ 3.22Å; D246-R275 IonicContact OD2-NE 3.6Å; D246-R275 IonicContact OD2-NH1 2.69Å; D246-R275 PolarHBondContact OD2-NH1 3.19Å
247	K	97.3	Very high	94.5	Very high	21 Å²	21	26.1 Å²	26.1	9%	0.091	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	151.3	174.7	-73.2	179.2	-172.6	-75.4	0	112.4	V237 E239 D245 F249 L273 G385	V237-K247 PolarHBondContact N-O 3.32Å; V237-K247 PolarHBondContact O-N 2.95Å; V237-K247 VanDerWaalsContact O-O 3.12Å; E239-K247 HydrophobicContact CG-CB 4.16Å; E239-K247 HydrophobicContact CG-CD 3.64Å; E239-K247 HydrophobicContact CG-CG 3.75Å; D245-K247 PolarHBondContact O-N 3.15Å; K247-F249 HydrophobicContact CB-CD2 4.28Å; K247-F249 HydrophobicContact CB-CE2 3.54Å; K247-F249 HydrophobicContact CB-CZ 3.81Å; K247-F249 HydrophobicContact CD-CE2 4.39Å; K247-F249 HydrophobicContact CD-CZ 3.82Å; K247-F249 HydrophobicContact CG-CZ 4.46Å; K247-L273 CarbonylContact C-O 3.56Å; K247-L273 VanDerWaalsContact CA-O 3.29Å; K247-L273 WeakPolarHBondContact CA-O 3.35Å; K247-G385 PolarHBondContact NZ-O 2.86Å; K247-G385 VanDerWaalsContact NZ-O 3.13Å
248	I	98.4	Very high	94.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	120.3	172.4	-54.1	170.7	0	0	0	107.2	V185 I187 Y192 F235 F250 Q272 L273 R275	V185-I248 HydrophobicContact CG1-CG2 3.85Å; I187-I248 HydrophobicContact CD1-CD1 3.44Å; I187-I248 VanDerWaalsContact CD1-CD1 3.44Å; I187-I248 HydrophobicContact CD1-CG1 3.75Å; Y192-I248 HydrophobicContact CD1-CD1 3.33Å; Y192-I248 HydrophobicContact CD2-CD1 3.8Å; Y192-I248 HydrophobicContact CE1-CD1 3.24Å; Y192-I248 HydrophobicContact CE2-CD1 3.77Å; Y192-I248 HydrophobicContact CG-CD1 3.62Å; Y192-I248 VanDerWaalsContact CZ-CD1 3.49Å; F235-I248 CarbonylContact O-C 3.58Å; F235-I248 WeakPolarHBondContact O-CA 3.4Å; I248-F250 HydrophobicContact CG2-CD2 4.16Å; I248-F250 HydrophobicContact CG2-CE2 3.59Å; I248-F250 HydrophobicContact CG2-CZ 4.35Å; I248-Q272 CarbonylContact O-C 3.57Å; I248-Q272 WeakPolarHBondContact O-CA 3.37Å; I248-L273 PolarHBondContact N-O 2.88Å; I248-L273 PolarHBondContact O-N 2.91Å; I248-R275 HydrophobicContact CD1-CB 4.23Å; I248-R275 HydrophobicContact CD1-CG 4.25Å; I248-R275 HydrophobicContact CG1-CB 4.4Å
249	F	98.7	Very high	93.6	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.018	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	133.2	-177.9	-66.3	-83.6	0	0	0	110.4	S234 F235 V237 K247 F251 I270 G271 Q272 M351 I354 F358	S234-F249 CarbonylContact C-O 3.55Å; S234-F249 WeakPolarHBondContact CA-O 3.48Å; F235-F249 PolarHBondContact N-O 3.05Å; F235-F249 PolarHBondContact O-N 3.27Å; V237-F249 HydrophobicContact CB-CD2 4.19Å; V237-F249 HydrophobicContact CB-CE2 4.04Å; V237-F249 HydrophobicContact CG2-CD2 4.03Å; V237-F249 HydrophobicContact CG2-CE2 4.31Å; K247-F249 HydrophobicContact CB-CD2 4.28Å; K247-F249 HydrophobicContact CB-CE2 3.54Å; K247-F249 HydrophobicContact CB-CZ 3.81Å; K247-F249 HydrophobicContact CD-CE2 4.39Å; K247-F249 HydrophobicContact CD-CZ 3.82Å; K247-F249 HydrophobicContact CG-CZ 4.46Å; F249-F251 HydrophobicContact CB-CE2 3.89Å; F249-I270 HydrophobicContact CB-CD1 4.28Å; F249-I270 HydrophobicContact CB-CG1 4.36Å; F249-I270 HydrophobicContact CD1-CD1 3.67Å; F249-I270 HydrophobicContact CD1-CG1 3.99Å; F249-I270 HydrophobicContact CE1-CD1 4.39Å; F249-I270 HydrophobicContact CG-CD1 4.24Å; F249-G271 CarbonylContact C-O 3.24Å; F249-G271 VanDerWaalsContact CA-O 3.22Å; F249-G271 WeakPolarHBondContact CA-O 3.32Å; F249-Q272 HydrophobicContact CD1-CB 3.95Å; F249-Q272 HydrophobicContact CE1-CB 3.75Å; F249-M351 HydrophobicContact CD2-CE 4.19Å; F249-M351 HydrophobicContact CE1-CE 4.3Å; F249-M351 HydrophobicContact CE2-CE 3.55Å; F249-M351 HydrophobicContact CZ-CE 3.6Å; F249-I354 HydrophobicContact CE1-CG2 4.02Å; F249-F358 HydrophobicContact CD1-CE2 4.3Å; F249-F358 HydrophobicContact CE1-CD2 4.33Å; F249-F358 AromaticContact CE1-CE2 3.88Å; F249-F358 HydrophobicContact CE1-CE2 3.88Å
250	F	98.8	Very high	92.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.2	177.7	-83.4	-90.6	0	0	0	110.1	A183 I206 S234 I248 F252 I270 G271 L273	A183-F250 HydrophobicContact CB-CD1 4.08Å; A183-F250 HydrophobicContact CB-CE1 4.24Å; I206-F250 HydrophobicContact CD1-CB 3.89Å; I206-F250 HydrophobicContact CD1-CD1 4.26Å; I206-F250 HydrophobicContact CD1-CD2 4.17Å; I206-F250 HydrophobicContact CD1-CG 3.83Å; I206-F250 HydrophobicContact CG1-CD1 4.17Å; I206-F250 HydrophobicContact CG1-CG 4.22Å; I206-F250 HydrophobicContact CG2-CD1 4.22Å; I206-F250 HydrophobicContact CG2-CD2 3.83Å; I206-F250 HydrophobicContact CG2-CE1 3.93Å; I206-F250 HydrophobicContact CG2-CE2 3.48Å; I206-F250 VanDerWaalsContact CG2-CE2 3.48Å; I206-F250 HydrophobicContact CG2-CG 4.19Å; I206-F250 HydrophobicContact CG2-CZ 3.55Å; S234-F250 VanDerWaalsContact CB-CE1 3.42Å; I248-F250 HydrophobicContact CG2-CD2 4.16Å; I248-F250 HydrophobicContact CG2-CE2 3.59Å; I248-F250 HydrophobicContact CG2-CZ 4.35Å; F250-F252 HydrophobicContact CB-CD1 4.42Å; F250-I270 CarbonylContact O-C 3.59Å; F250-I270 WeakPolarHBondContact O-CA 3.33Å; F250-G271 PolarHBondContact N-O 3.25Å; F250-G271 PolarHBondContact O-N 2.84Å; F250-L273 HydrophobicContact CD2-CD1 4.29Å; F250-L273 HydrophobicContact CE2-CD1 4.05Å
251	F	98.8	Very high	91.2	Very high	3 Å²	3	33.2 Å²	33.2	1%	0.013	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.1	-179.6	-67.4	-96.4	0	0	0	109.6	V232 G233 F235 F249 I270 L296 L313 V316 V329	V232-F251 PolarHBondContact N-O 2.87Å; G233-F251 PolarHBondContact N-O 3.04Å; G233-F251 PolarHBondContact O-N 3.26Å; F235-F251 AromaticContact CD2-CD2 3.82Å; F235-F251 HydrophobicContact CD2-CD2 3.82Å; F235-F251 AromaticContact CD2-CE2 3.74Å; F235-F251 HydrophobicContact CD2-CE2 3.74Å; F235-F251 HydrophobicContact CE2-CD2 4.03Å; F235-F251 HydrophobicContact CE2-CE2 4.23Å; F249-F251 HydrophobicContact CB-CE2 3.89Å; F251-I270 HydrophobicContact CD1-CB 4.3Å; F251-I270 HydrophobicContact CD1-CG1 4.26Å; F251-I270 HydrophobicContact CE1-CB 4.08Å; F251-I270 HydrophobicContact CE1-CD1 3.63Å; F251-I270 HydrophobicContact CE1-CG1 3.81Å; F251-I270 HydrophobicContact CE2-CD1 4.16Å; F251-I270 HydrophobicContact CE2-CG1 4.3Å; F251-I270 HydrophobicContact CZ-CD1 3.4Å; F251-I270 VanDerWaalsContact CZ-CD1 3.4Å; F251-I270 HydrophobicContact CZ-CG1 3.84Å; F251-L296 HydrophobicContact CD1-CD1 3.86Å; F251-L296 HydrophobicContact CE1-CD1 4.12Å; F251-L313 HydrophobicContact CB-CD2 4.07Å; F251-V316 HydrophobicContact CB-CG2 3.74Å; F251-V316 HydrophobicContact CD1-CG1 4.06Å; F251-V316 HydrophobicContact CD1-CG2 3.79Å; F251-V316 HydrophobicContact CD2-CG1 4.19Å; F251-V316 HydrophobicContact CE1-CG1 4.1Å; F251-V316 HydrophobicContact CE2-CG1 4.24Å; F251-V316 HydrophobicContact CG-CB 4.36Å; F251-V316 HydrophobicContact CG-CG1 4.1Å; F251-V316 HydrophobicContact CG-CG2 3.81Å; F251-V316 HydrophobicContact CZ-CG1 4.19Å; F251-V329 HydrophobicContact CE1-CG1 3.81Å; F251-V329 HydrophobicContact CZ-CG1 3.78Å
252	F	98.7	Very high	89.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	170.7	-174.6	60.9	-81.7	0	0	0	110.8	L226 P229 K230 F231 F250 E254 R269 K293	L226-F252 HydrophobicContact CD2-CD2 4.48Å; L226-F252 HydrophobicContact CD2-CE2 3.75Å; L226-F252 HydrophobicContact CD2-CZ 3.79Å; P229-F252 HydrophobicContact CB-CD2 3.83Å; P229-F252 HydrophobicContact CB-CE2 4.4Å; K230-F252 WeakPolarHBondContact O-CA 3.43Å; K230-F252 WeakPolarHBondContact O-CB 3.27Å; F231-F252 HydrophobicContact CD1-CB 3.86Å; F231-F252 HydrophobicContact CD1-CG 4.34Å; F231-F252 HydrophobicContact CE1-CB 4.42Å; F231-F252 HydrophobicContact CE1-CG 4.44Å; F231-F252 HydrophobicContact CG-CB 4.49Å; F250-F252 HydrophobicContact CB-CD1 4.42Å; F252-E254 HydrophobicContact CD2-CB 4.27Å; F252-E254 HydrophobicContact CE2-CB 4.28Å; F252-E254 HydrophobicContact CE2-CG 4.21Å; F252-R269 HydrophobicContact CD1-CB 4.12Å; F252-R269 HydrophobicContact CD2-CB 3.98Å; F252-R269 HydrophobicContact CD2-CG 4.13Å; F252-R269 HydrophobicContact CE1-CB 3.87Å; F252-R269 HydrophobicContact CE2-CB 3.74Å; F252-R269 HydrophobicContact CE2-CG 3.71Å; F252-R269 HydrophobicContact CG-CB 4.17Å; F252-R269 HydrophobicContact CZ-CB 3.68Å; F252-R269 HydrophobicContact CZ-CG 4Å; F252-R269 PolarHBondContact N-O 3.41Å; F252-R269 PolarHBondContact O-N 3.46Å; F252-K293 HydrophobicContact CE2-CD 4.48Å; F252-K293 HydrophobicContact CZ-CB 4.34Å; F252-K293 HydrophobicContact CZ-CD 4.01Å
253	R	97.4	Very high	88.8	Confident	43 Å²	43	33.6 Å²	33.6	16%	0.162	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	148.4	166.5	58.6	177	168.7	-144.2	-11.8	109.4	P229 K230 T266 Y267 E312 L313	P229-R253 CarbonylContact C-O 3.34Å; P229-R253 VanDerWaalsContact CA-O 3.25Å; P229-R253 WeakPolarHBondContact CA-O 3.45Å; K230-R253 HydrophobicContact CB-CG 3.98Å; K230-R253 PolarHBondContact N-O 2.9Å; K230-R253 PolarHBondContact O-N 3.2Å; R253-T266 HydrophobicContact CB-CG2 3.8Å; R253-T266 HydrophobicContact CG-CG2 4.22Å; R253-Y267 WeakPolarHBondContact CA-O 3.27Å; R253-E312 WeakPolarHBondContact CD-OE2 3.39Å; R253-E312 IonicContact CZ-OE2 3.3Å; R253-E312 IonicContact NE-OE2 3.53Å; R253-E312 PolarHBondContact NE-OE2 2.91Å; R253-E312 IonicContact NH1-OE2 3.78Å; R253-E312 PolarHBondContact NH1-OE2 3.37Å; R253-L313 VanDerWaalsContact CZ-O 3.28Å; R253-L313 PolarHBondContact NH1-O 2.03Å
254	E	96.1	Very high	88.1	Confident	3 Å²	3	37.9 Å²	37.9	1%	0.014	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	164.3	-176.1	67.9	170.8	-179.6	0	0	111.8	N227 P229 F252 A256 T266 Y267 R269 K293	N227-E254 PolarHBondContact N-OE2 2.76Å; N227-E254 VanDerWaalsContact N-OE2 3.15Å; N227-E254 WeakPolarHBondContact O-CB 3.46Å; P229-E254 HydrophobicContact CB-CB 4.34Å; F252-E254 HydrophobicContact CD2-CB 4.27Å; F252-E254 HydrophobicContact CE2-CB 4.28Å; F252-E254 HydrophobicContact CE2-CG 4.21Å; E254-A256 PolarHBondContact O-N 2.88Å; E254-T266 CarbonylContact O-C 3.52Å; E254-T266 WeakPolarHBondContact O-CA 3.45Å; E254-Y267 PolarHBondContact N-O 2.83Å; E254-Y267 PolarHBondContact O-N 2.9Å; E254-R269 HydrophobicContact CG-CG 3.91Å; E254-R269 IonicContact OE1-CZ 2.68Å; E254-R269 VanDerWaalsContact OE1-CZ 3.28Å; E254-R269 IonicContact OE1-NE 3.04Å; E254-R269 PolarHBondContact OE1-NE 3.14Å; E254-R269 IonicContact OE1-NH2 3.69Å; E254-R269 PolarHBondContact OE1-NH2 2.78Å; E254-K293 WeakPolarHBondContact OE1-CE 3.01Å; E254-K293 IonicContact OE1-NZ 2.76Å; E254-K293 PolarHBondContact OE1-NZ 2.96Å; E254-K293 IonicContact OE2-NZ 3.53Å; E254-K293 PolarHBondContact OE2-NZ 2.89Å
255	T	94.5	Very high	87.9	Confident	26 Å²	26	37.8 Å²	37.8	16%	0.16	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	114	170.8	-63.1	0	0	0	0	109.1	N227 E228 V257	N227-T255 WeakPolarHBondContact CB-O 3.26Å; N227-T255 WeakPolarHBondContact ND2-CB 3.45Å; N227-T255 PolarHBondContact ND2-O 2.04Å; N227-T255 PolarHBondContact O-N 2.77Å; E228-T255 PolarHBondContact OE2-OG1 2.86Å; T255-V257 PolarHBondContact O-N 2.93Å
256	A	93.1	Very high	87.9	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.008	22%	0.224	C	C	.	.			trans	-67	120	-171.5	0	0	0	0	0	112.7	E254 E258 A259 S265 Y267	E254-A256 PolarHBondContact O-N 2.88Å; A256-E258 VanDerWaalsContact C-N 3.27Å; A256-E258 PolarHBondContact O-N 2.98Å; A256-A259 HydrophobicContact CB-CB 3.76Å; A256-A259 PolarHBondContact O-N 3.23Å; A256-S265 WeakPolarHBondContact CB-O 3.44Å; A256-S265 PolarHBondContact N-O 3.44Å; A256-Y267 HydrophobicContact CB-CD1 4.41Å; A256-Y267 HydrophobicContact CB-CD2 3.33Å; A256-Y267 HydrophobicContact CB-CE2 3.83Å; A256-Y267 HydrophobicContact CB-CG 3.66Å
257	V	90.6	Very high	88	Confident	5 Å²	5	40.3 Å²	40.3	3%	0.03	23%	0.23	C	C	.	.	S	Bend	trans	-74.2	-20.6	177	-65.8	0	0	0	0	112.7	S223 N227 T255 W372 L414	S223-V257 WeakPolarHBondContact O-CG1 3.17Å; N227-V257 HydrophobicContact CB-CG1 4.28Å; T255-V257 PolarHBondContact O-N 2.93Å; V257-W372 HydrophobicContact CB-CZ2 4.1Å; V257-W372 HydrophobicContact CG2-CH2 4.09Å; V257-W372 HydrophobicContact CG2-CZ2 3.7Å; V257-W372 PolarHBondContact O-NE1 3.23Å; V257-L414 HydrophobicContact CG2-CD2 4.24Å
258	E	89.4	Confident	88	Confident	53 Å²	53	39.3 Å²	39.3	25%	0.248	23%	0.226	C	C	.	.	S	Bend	trans	-82.4	-22.7	175.4	66.2	-90.6	-125.1	0	0	114	A256 Y267 R269 W372	A256-E258 VanDerWaalsContact C-N 3.27Å; A256-E258 PolarHBondContact O-N 2.98Å; E258-Y267 HydrophobicContact CG-CD2 4.1Å; E258-Y267 HydrophobicContact CG-CE2 3.72Å; E258-R269 VanDerWaalsContact CD-NH2 3.32Å; E258-R269 IonicContact OE1-CZ 2.67Å; E258-R269 VanDerWaalsContact OE1-CZ 3.28Å; E258-R269 IonicContact OE1-NH1 2.8Å; E258-R269 PolarHBondContact OE1-NH1 2.99Å; E258-R269 IonicContact OE1-NH2 2.99Å; E258-R269 PolarHBondContact OE1-NH2 3.49Å; E258-R269 IonicContact OE2-CZ 2.64Å; E258-R269 IonicContact OE2-NH1 2.69Å; E258-R269 IonicContact OE2-NH2 3.91Å; E258-R269 PolarHBondContact OE2-NH2 3.27Å; E258-W372 VanDerWaalsContact CA-CD1 3.47Å; E258-W372 HydrophobicContact CB-CB 4.31Å; E258-W372 HydrophobicContact CB-CD2 4.33Å; E258-W372 HydrophobicContact CB-CG 3.95Å
259	A	83.6	Confident	88	Confident	6 Å²	6	39.3 Å²	39.3	5%	0.05	23%	0.226	C	C	.	.	S	Bend	trans	-90.2	-2.2	-177.9	0	0	0	0	0	114.2	A256 G261 L262 Y267	A256-A259 HydrophobicContact CB-CB 3.76Å; A256-A259 PolarHBondContact O-N 3.23Å; A259-G261 PolarHBondContact O-N 2.92Å; A259-L262 PolarHBondContact O-N 3.47Å; A259-Y267 HydrophobicContact CB-CE2 4.36Å
260	Q	66.9	Low	88	Confident	105 Å²	105	39.1 Å²	39.1	49%	0.491	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-16.8	-166.7	-69.2	179.8	-16.4	0	0	115.9
261	G	62.6	Low	88	Confident	81 Å²	81	39.1 Å²	39.1	84%	0.835	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-12.4	173.1	0	0	0	0	0	115.3	A259	A259-G261 PolarHBondContact O-N 2.92Å
262	L	62.2	Low	88	Confident	164 Å²	164	39.2 Å²	39.2	86%	0.859	23%	0.225	S	C	*	.	S	Bend	trans	-112	2.3	-177.8	-63.4	173.1	0	0	0	113	A259	A259-L262 PolarHBondContact O-N 3.47Å
263	G	66.9	Low	87.9	Confident	42 Å²	42	39.2 Å²	39.2	43%	0.433	23%	0.225	S	C	.	.	S	Bend	trans	119.4	-164.8	-177.7	0	0	0	0	0	112.9
264	K	77.9	Confident	87.9	Confident	169 Å²	169	37.2 Å²	37.2	74%	0.735	22%	0.218	S	C	*	.			trans	-87.1	104.8	170.2	-75.7	-161.8	172.3	-156	0	109.8	E228	E228-K264 IonicContact OE2-NZ 3.7Å
265	S	87.1	Confident	87.8	Confident	41 Å²	41	39.6 Å²	39.6	29%	0.287	23%	0.227	S	C	.	.			trans	-106.2	133.3	170.6	-52	0	0	0	0	110.6	A256	A256-S265 WeakPolarHBondContact CB-O 3.44Å; A256-S265 PolarHBondContact N-O 3.44Å
266	T	92.3	Very high	87.8	Confident	39 Å²	39	39 Å²	39	24%	0.239	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	137.1	160.6	-46.8	0	0	0	0	108.7	R253 E254 D311 E312	R253-T266 HydrophobicContact CB-CG2 3.8Å; R253-T266 HydrophobicContact CG-CG2 4.22Å; E254-T266 CarbonylContact O-C 3.52Å; E254-T266 WeakPolarHBondContact O-CA 3.45Å; T266-D311 WeakPolarHBondContact O-CB 3.33Å; T266-E312 WeakPolarHBondContact CB-OE1 3.41Å; T266-E312 WeakPolarHBondContact CG2-OE1 3Å; T266-E312 PolarHBondContact OG1-OE1 2.91Å
267	Y	95.8	Very high	88	Confident	40 Å²	40	39 Å²	39	16%	0.157	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.5	160.7	-74.9	-19.1	0	0	0	111.1	R253 E254 A256 E258 A259 R295 D311	R253-Y267 WeakPolarHBondContact CA-O 3.27Å; E254-Y267 PolarHBondContact N-O 2.83Å; E254-Y267 PolarHBondContact O-N 2.9Å; A256-Y267 HydrophobicContact CB-CD1 4.41Å; A256-Y267 HydrophobicContact CB-CD2 3.33Å; A256-Y267 HydrophobicContact CB-CE2 3.83Å; A256-Y267 HydrophobicContact CB-CG 3.66Å; E258-Y267 HydrophobicContact CG-CD2 4.1Å; E258-Y267 HydrophobicContact CG-CE2 3.72Å; A259-Y267 HydrophobicContact CB-CE2 4.36Å; Y267-R295 HydrophobicContact CD2-CG 4.43Å; Y267-R295 VanDerWaalsContact CE1-NH2 3.34Å; Y267-R295 HydrophobicContact CG-CG 4.39Å; Y267-D311 HydrophobicContact CD1-CB 4.4Å; Y267-D311 WeakPolarHBondContact CD1-OD1 3.45Å
268	S	98.3	Very high	88.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	145.1	173.2	-71.5	0	0	0	0	112.3	R295 L296 D311 L313	S268-R295 WeakPolarHBondContact O-CA 3.42Å; S268-L296 PolarHBondContact O-N 2.91Å; S268-D311 PolarHBondContact N-O 3.4Å; S268-D311 PolarHBondContact OG-O 2.91Å; S268-L313 WeakPolarHBondContact OG-CB 3.45Å; S268-L313 PolarHBondContact OG-N 2.71Å
269	R	98.4	Very high	88.6	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146.9	-169.1	-60.7	-61.2	-162.5	-155.2	-3.8	112.5	F252 E254 E258 T294	F252-R269 HydrophobicContact CD1-CB 4.12Å; F252-R269 HydrophobicContact CD2-CB 3.98Å; F252-R269 HydrophobicContact CD2-CG 4.13Å; F252-R269 HydrophobicContact CE1-CB 3.87Å; F252-R269 HydrophobicContact CE2-CB 3.74Å; F252-R269 HydrophobicContact CE2-CG 3.71Å; F252-R269 HydrophobicContact CG-CB 4.17Å; F252-R269 HydrophobicContact CZ-CB 3.68Å; F252-R269 HydrophobicContact CZ-CG 4Å; F252-R269 PolarHBondContact N-O 3.41Å; F252-R269 PolarHBondContact O-N 3.46Å; E254-R269 HydrophobicContact CG-CG 3.91Å; E254-R269 IonicContact OE1-CZ 2.68Å; E254-R269 VanDerWaalsContact OE1-CZ 3.28Å; E254-R269 IonicContact OE1-NE 3.04Å; E254-R269 PolarHBondContact OE1-NE 3.14Å; E254-R269 IonicContact OE1-NH2 3.69Å; E254-R269 PolarHBondContact OE1-NH2 2.78Å; E258-R269 VanDerWaalsContact CD-NH2 3.32Å; E258-R269 IonicContact OE1-CZ 2.67Å; E258-R269 VanDerWaalsContact OE1-CZ 3.28Å; E258-R269 IonicContact OE1-NH1 2.8Å; E258-R269 PolarHBondContact OE1-NH1 2.99Å; E258-R269 IonicContact OE1-NH2 2.99Å; E258-R269 PolarHBondContact OE1-NH2 3.49Å; E258-R269 IonicContact OE2-CZ 2.64Å; E258-R269 IonicContact OE2-NH1 2.69Å; E258-R269 IonicContact OE2-NH2 3.91Å; E258-R269 PolarHBondContact OE2-NH2 3.27Å; R269-T294 VanDerWaalsContact CA-O 3.29Å; R269-T294 WeakPolarHBondContact CA-O 3.32Å; R269-T294 WeakPolarHBondContact CD-O 3.5Å
270	I	98.8	Very high	89.1	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.4	151.5	-172.9	176.5	0	0	0	108	F249 F250 F251 K293 T294 L296 I354 F358 V419	F249-I270 HydrophobicContact CB-CD1 4.28Å; F249-I270 HydrophobicContact CB-CG1 4.36Å; F249-I270 HydrophobicContact CD1-CD1 3.67Å; F249-I270 HydrophobicContact CD1-CG1 3.99Å; F249-I270 HydrophobicContact CE1-CD1 4.39Å; F249-I270 HydrophobicContact CG-CD1 4.24Å; F250-I270 CarbonylContact O-C 3.59Å; F250-I270 WeakPolarHBondContact O-CA 3.33Å; F251-I270 HydrophobicContact CD1-CB 4.3Å; F251-I270 HydrophobicContact CD1-CG1 4.26Å; F251-I270 HydrophobicContact CE1-CB 4.08Å; F251-I270 HydrophobicContact CE1-CD1 3.63Å; F251-I270 HydrophobicContact CE1-CG1 3.81Å; F251-I270 HydrophobicContact CE2-CD1 4.16Å; F251-I270 HydrophobicContact CE2-CG1 4.3Å; F251-I270 HydrophobicContact CZ-CD1 3.4Å; F251-I270 VanDerWaalsContact CZ-CD1 3.4Å; F251-I270 HydrophobicContact CZ-CG1 3.84Å; I270-K293 CarbonylContact O-C 3.57Å; I270-K293 VanDerWaalsContact O-CA 3.3Å; I270-K293 WeakPolarHBondContact O-CA 3.02Å; I270-T294 HydrophobicContact CG2-CG2 3.58Å; I270-T294 PolarHBondContact N-O 2.88Å; I270-T294 VanDerWaalsContact N-O 3.08Å; I270-T294 PolarHBondContact O-N 2.92Å; I270-L296 HydrophobicContact CB-CD1 4.15Å; I270-L296 HydrophobicContact CB-CD2 4.26Å; I270-L296 HydrophobicContact CB-CG 4.15Å; I270-L296 HydrophobicContact CG2-CD2 3.99Å; I270-L296 HydrophobicContact CG2-CG 4.11Å; I270-I354 HydrophobicContact CD1-CD1 3.97Å; I270-I354 HydrophobicContact CD1-CG1 4.28Å; I270-I354 HydrophobicContact CD1-CG2 3.8Å; I270-F358 HydrophobicContact CG2-CE2 4.24Å; I270-F358 HydrophobicContact CG2-CZ 4.07Å; I270-F358 WeakPolarHBondContact O-CZ 3.48Å; I270-V419 HydrophobicContact CG2-CG2 4.4Å
271	G	98.5	Very high	90.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	152.5	167.8	0	0	0	0	0	111.1	F249 F250 L292	F249-G271 CarbonylContact C-O 3.24Å; F249-G271 VanDerWaalsContact CA-O 3.22Å; F249-G271 WeakPolarHBondContact CA-O 3.32Å; F250-G271 PolarHBondContact N-O 3.25Å; F250-G271 PolarHBondContact O-N 2.84Å; G271-L292 CarbonylContact C-O 3.5Å; G271-L292 WeakPolarHBondContact CA-O 3.37Å
272	Q	98	Very high	91.8	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.028	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	152.3	171.4	61.6	141	53	0	0	111.5	I248 F249 T290 F291 L292 F358 G385	I248-Q272 CarbonylContact O-C 3.57Å; I248-Q272 WeakPolarHBondContact O-CA 3.37Å; F249-Q272 HydrophobicContact CD1-CB 3.95Å; F249-Q272 HydrophobicContact CE1-CB 3.75Å; Q272-T290 PolarHBondContact NE2-O 3.07Å; Q272-F291 WeakPolarHBondContact O-CA 3.42Å; Q272-L292 HydrophobicContact CG-CB 3.95Å; Q272-L292 PolarHBondContact N-O 2.98Å; Q272-L292 PolarHBondContact O-N 3.45Å; Q272-F358 HydrophobicContact CB-CE1 4.4Å; Q272-F358 HydrophobicContact CB-CE2 4.11Å; Q272-F358 HydrophobicContact CB-CZ 4.04Å; Q272-F358 HydrophobicContact CG-CD1 3.82Å; Q272-F358 HydrophobicContact CG-CD2 4.24Å; Q272-F358 HydrophobicContact CG-CE1 3.71Å; Q272-F358 HydrophobicContact CG-CE2 4.12Å; Q272-F358 HydrophobicContact CG-CG 4.09Å; Q272-F358 HydrophobicContact CG-CZ 3.86Å; Q272-G385 PolarHBondContact NE2-O 2.82Å
273	L	97.5	Very high	93.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	149.4	167.9	-71.7	174.3	0	0	0	109	I206 K247 I248 F250 W288 F291	I206-L273 HydrophobicContact CG2-CD1 3.65Å; K247-L273 CarbonylContact C-O 3.56Å; K247-L273 VanDerWaalsContact CA-O 3.29Å; K247-L273 WeakPolarHBondContact CA-O 3.35Å; I248-L273 PolarHBondContact N-O 2.88Å; I248-L273 PolarHBondContact O-N 2.91Å; F250-L273 HydrophobicContact CD2-CD1 4.29Å; F250-L273 HydrophobicContact CE2-CD1 4.05Å; L273-W288 HydrophobicContact CD1-CD2 3.92Å; L273-W288 HydrophobicContact CD1-CE3 4.25Å; L273-W288 HydrophobicContact CD1-CG 4.49Å; L273-W288 HydrophobicContact CD1-CH2 4.15Å; L273-W288 HydrophobicContact CD1-CZ2 3.8Å; L273-W288 HydrophobicContact CD1-CZ3 4.36Å; L273-W288 HydrophobicContact CD2-CB 3.85Å; L273-W288 HydrophobicContact CD2-CD2 3.5Å; L273-W288 VanDerWaalsContact CD2-CD2 3.5Å; L273-W288 HydrophobicContact CD2-CE3 3.76Å; L273-W288 HydrophobicContact CD2-CG 3.53Å; L273-W288 HydrophobicContact CG-CD2 4.34Å; L273-W288 HydrophobicContact CG-CE3 4.5Å; L273-F291 HydrophobicContact CD2-CB 3.65Å; L273-F291 HydrophobicContact CD2-CD2 3.82Å; L273-F291 HydrophobicContact CD2-CG 4.22Å; L273-F291 HydrophobicContact CG-CD2 4.26Å
274	C	96.7	Very high	94.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	131.3	165.2	-65.7	0	0	0	0	109.9	N276 D277 T290 C387	C274-N276 PolarHBondContact O-N 3.11Å; C274-D277 WeakPolarHBondContact O-CB 3.36Å; C274-D277 PolarHBondContact O-N 2.92Å; C274-T290 HydrophobicContact CB-CG2 3.84Å; C274-T290 PolarHBondContact N-OG1 2.86Å; C274-C387 HydrophobicContact CB-CB 3.65Å; C274-C387 WeakPolarHBondContact CB-SG 3.49Å; C274-C387 WeakPolarHBondContact SG-CA 3.26Å; C274-C387 WeakPolarHBondContact SG-CB 3.41Å; C274-C387 PolarHBondContact SG-N 2.75Å; C274-C387 VanDerWaalsContact SG-N 3.41Å; C274-C387 CovalentContact SG-SG 2.04Å; C274-C387 PolarHBondContact SG-SG 3.03Å
275	R	95.6	Very high	95.5	Very high	54 Å²	54	32.4 Å²	32.4	20%	0.204	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-32.7	-176.8	-176.5	-178.9	175.1	-157.7	-4.2	112.8	Y192 R213 D246 I248	Y192-R275 PolarHBondContact OH-O 2.89Å; Y192-R275 VanDerWaalsContact OH-O 3.06Å; R213-R275 PolarHBondContact NH2-O 2.65Å; D246-R275 HydrophobicContact CB-CB 3.66Å; D246-R275 HydrophobicContact CB-CG 4.32Å; D246-R275 WeakPolarHBondContact O-CB 3.49Å; D246-R275 PolarHBondContact O-N 2.86Å; D246-R275 VanDerWaalsContact OD2-CD 3.23Å; D246-R275 WeakPolarHBondContact OD2-CD 3.27Å; D246-R275 IonicContact OD2-CZ 3.22Å; D246-R275 IonicContact OD2-NE 3.6Å; D246-R275 IonicContact OD2-NH1 2.69Å; D246-R275 PolarHBondContact OD2-NH1 3.19Å; I248-R275 HydrophobicContact CD1-CB 4.23Å; I248-R275 HydrophobicContact CD1-CG 4.25Å; I248-R275 HydrophobicContact CG1-CB 4.4Å
276	N	94.6	Very high	95.9	Very high	14 Å²	14	34.4 Å²	34.4	8%	0.075	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	11.3	-177.5	69.9	-5.7	0	0	0	114.9	D244 C274 M278 P388	D244-N276 WeakPolarHBondContact CA-ND2 3.43Å; D244-N276 WeakPolarHBondContact CB-ND2 3.3Å; D244-N276 PolarHBondContact O-ND2 2.84Å; D244-N276 VanDerWaalsContact O-ND2 3.17Å; D244-N276 PolarHBondContact O-OD1 2.73Å; D244-N276 PolarHBondContact OD1-ND2 3.06Å; C274-N276 PolarHBondContact O-N 3.11Å; N276-M278 PolarHBondContact O-N 3.25Å; N276-P388 PolarHBondContact ND2-O 2.92Å; N276-P388 WeakPolarHBondContact OD1-CD 3.33Å
277	D	96.3	Very high	96.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.166	C	C	.	.			trans	-58.9	131.7	175.2	-166.6	-23.5	0	0	0	111.1	R208 I216 C274 G279 W288 T289 T290 T398	R208-D277 PolarHBondContact NH1-O 3.09Å; R208-D277 PolarHBondContact NH2-O 3.22Å; I216-D277 VanDerWaalsContact CD1-O 3.28Å; I216-D277 WeakPolarHBondContact CD1-O 3.38Å; C274-D277 WeakPolarHBondContact O-CB 3.36Å; C274-D277 PolarHBondContact O-N 2.92Å; D277-G279 PolarHBondContact OD1-N 3.33Å; D277-W288 HydrophobicContact CB-CE3 3.85Å; D277-W288 HydrophobicContact CB-CZ3 3.94Å; D277-T289 VanDerWaalsContact CG-OG1 3.26Å; D277-T289 PolarHBondContact OD1-OG1 3.04Å; D277-T289 PolarHBondContact OD2-N 3.41Å; D277-T289 PolarHBondContact OD2-OG1 2.96Å; D277-T289 VanDerWaalsContact OD2-OG1 3.12Å; D277-T290 HydrophobicContact CB-CG2 4.43Å; D277-T290 WeakPolarHBondContact OD2-CB 3.43Å; D277-T290 PolarHBondContact OD2-N 3.3Å; D277-T290 PolarHBondContact OD2-OG1 3.24Å; D277-T398 HydrophobicContact CB-CG2 4.21Å; D277-T398 PolarHBondContact OD1-OG1 2.87Å
278	M	96.1	Very high	96.2	Very high	45 Å²	45	33.3 Å²	33.3	22%	0.222	16%	0.158	C	C	.	.			trans	-116.4	7.8	-175.5	-72.6	-65.3	-72	0	0	112.6	R213 P214 I216 N276 T398 K399	R213-M278 HydrophobicContact CB-SD 4.22Å; R213-M278 WeakPolarHBondContact CD-SD 3.48Å; R213-M278 HydrophobicContact CG-SD 3.92Å; P214-M278 HydrophobicContact CG-CE 4.01Å; P214-M278 HydrophobicContact CG-SD 4.44Å; I216-M278 VanDerWaalsContact CD1-C 3.49Å; N276-M278 PolarHBondContact O-N 3.25Å; M278-T398 PolarHBondContact N-OG1 3.05Å; M278-K399 HydrophobicContact CB-CD 4.48Å; M278-K399 HydrophobicContact CB-CG 4.21Å; M278-K399 VanDerWaalsContact O-CE 3.27Å; M278-K399 WeakPolarHBondContact O-CE 3.46Å
279	G	96	Very high	96.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.16	C	C	.	.			trans	77.2	175.6	-170.9	0	0	0	0	0	112.1	I216 D277 K287 T289 T398 K399	I216-G279 VanDerWaalsContact CD1-N 3.34Å; D277-G279 PolarHBondContact OD1-N 3.33Å; G279-K287 WeakPolarHBondContact CA-O 3.16Å; G279-T289 VanDerWaalsContact C-CG2 3.45Å; G279-T398 PolarHBondContact N-OG1 2.62Å; G279-T398 CarbonylContact O-C 3.58Å; G279-T398 PolarHBondContact O-OG1 2.85Å; G279-K399 WeakPolarHBondContact O-CG 3.46Å; G279-K399 PolarHBondContact O-N 2.97Å
280	G	95.2	Very high	96.1	Very high	3 Å²	3	33.6 Å²	33.6	3%	0.031	16%	0.16	C	C	.	.			trans	-86.3	163.1	172.5	0	0	0	0	0	112.1	S283 L284 V285 T289	G280-S283 CarbonylContact C-O 3.57Å; G280-S283 VanDerWaalsContact CA-O 3.24Å; G280-S283 WeakPolarHBondContact CA-O 3.26Å; G280-L284 PolarHBondContact N-O 3.3Å; G280-V285 WeakPolarHBondContact O-CG2 3.35Å; G280-T289 VanDerWaalsContact N-CG2 3.28Å
281	Q	94	Very high	96.1	Very high	125 Å²	125	33.7 Å²	33.7	58%	0.584	16%	0.161	S	C	*	.	S	Bend	trans	-87.2	-23.2	-175.2	-178.5	61.9	14	0	0	113.9	K399	Q281-K399 HydrophobicContact CB-CB 4.31Å; Q281-K399 WeakPolarHBondContact CB-O 3.23Å
282	R	92	Very high	96.1	Very high	188 Å²	188	33.8 Å²	33.8	71%	0.709	16%	0.161	S	C	*	.	S	Bend	trans	-132.8	-64.1	-178	-67.5	171.3	172.6	168.4	-4.6	110.6	V285 D403	R282-V285 WeakPolarHBondContact O-CG2 3.34Å; R282-D403 WeakPolarHBondContact CD-OD2 3.09Å; R282-D403 IonicContact CZ-OD2 2.71Å; R282-D403 IonicContact NH1-OD2 2.7Å; R282-D403 PolarHBondContact NH1-OD2 2.91Å
283	S	93.1	Very high	96.2	Very high	39 Å²	39	33.5 Å²	33.5	27%	0.273	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	153.5	164.6	-70.1	0	0	0	0	110	G280 V285	G280-S283 CarbonylContact C-O 3.57Å; G280-S283 VanDerWaalsContact CA-O 3.24Å; G280-S283 WeakPolarHBondContact CA-O 3.26Å; S283-V285 PolarHBondContact O-N 3.37Å; S283-V285 VanDerWaalsContact O-N 3.17Å
284	L	94.9	Very high	96.2	Very high	10 Å²	10	33.6 Å²	33.6	5%	0.052	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	34.1	179.7	-62	-179.3	0	0	0	115.1	W225 G280 N286 K287 T289 I406 R410	W225-L284 HydrophobicContact CZ2-CD1 4.39Å; W225-L284 HydrophobicContact CZ2-CD2 4.29Å; G280-L284 PolarHBondContact N-O 3.3Å; L284-N286 PolarHBondContact O-N 2.88Å; L284-K287 HydrophobicContact CB-CB 4.04Å; L284-K287 HydrophobicContact CD2-CB 3.82Å; L284-K287 HydrophobicContact CD2-CD 3.74Å; L284-K287 HydrophobicContact CD2-CG 4.44Å; L284-K287 PolarHBondContact O-N 3.34Å; L284-K287 VanDerWaalsContact O-N 3.07Å; L284-K287 VanDerWaalsContact O-O 3.05Å; L284-T289 HydrophobicContact CB-CG2 4.23Å; L284-I406 HydrophobicContact CB-CG2 3.98Å; L284-I406 HydrophobicContact CD1-CG2 3.91Å; L284-I406 HydrophobicContact CG-CG2 3.96Å; L284-R410 HydrophobicContact CD1-CB 3.96Å; L284-R410 HydrophobicContact CD1-CG 4.46Å; L284-R410 HydrophobicContact CD2-CB 4.49Å; L284-R410 HydrophobicContact CD2-CG 4.1Å; L284-R410 HydrophobicContact CG-CB 4.43Å
285	V	95.8	Very high	96.3	Very high	77 Å²	77	35.2 Å²	35.2	47%	0.467	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	129.1	169	177.2	0	0	0	0	109.6	G280 R282 S283 K287	G280-V285 WeakPolarHBondContact O-CG2 3.35Å; R282-V285 WeakPolarHBondContact O-CG2 3.34Å; S283-V285 PolarHBondContact O-N 3.37Å; S283-V285 VanDerWaalsContact O-N 3.17Å; V285-K287 PolarHBondContact O-N 3.26Å; V285-K287 VanDerWaalsContact O-N 3.07Å
286	N	95.6	Very high	96.4	Very high	83 Å²	83	32.7 Å²	32.7	44%	0.444	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	22.9	-173.6	-57.3	-19	0	0	0	114.3	I216 R217 L284	I216-N286 WeakPolarHBondContact CA-O 3.3Å; R217-N286 PolarHBondContact N-O 3.04Å; L284-N286 PolarHBondContact O-N 2.88Å
287	K	97.5	Very high	96.6	Very high	55 Å²	55	32.1 Å²	32.1	24%	0.239	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-120.3	150.2	171.6	-67.3	171.7	-179.4	170.7	0	110	R217 E219 G279 L284 V285	R217-K287 WeakPolarHBondContact O-CA 3.24Å; E219-K287 HydrophobicContact CB-CD 4.37Å; E219-K287 HydrophobicContact CG-CD 4.5Å; E219-K287 IonicContact OE1-NZ 2.74Å; E219-K287 PolarHBondContact OE1-NZ 3.26Å; G279-K287 WeakPolarHBondContact CA-O 3.16Å; L284-K287 HydrophobicContact CB-CB 4.04Å; L284-K287 HydrophobicContact CD2-CB 3.82Å; L284-K287 HydrophobicContact CD2-CD 3.74Å; L284-K287 HydrophobicContact CD2-CG 4.44Å; L284-K287 PolarHBondContact O-N 3.34Å; L284-K287 VanDerWaalsContact O-N 3.07Å; L284-K287 VanDerWaalsContact O-O 3.05Å; V285-K287 PolarHBondContact O-N 3.26Å; V285-K287 VanDerWaalsContact O-N 3.07Å
288	W	97.9	Very high	96.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.154	C	C	.	.			trans	-59.8	146.1	179	-61.5	109.9	0	0	0	110.4	Y192 I206 R208 I216 R217 W225 L273 D277 F291	Y192-W288 AromaticContact CD1-CH2 3.91Å; Y192-W288 HydrophobicContact CD1-CH2 3.91Å; Y192-W288 HydrophobicContact CD1-CZ2 4.36Å; Y192-W288 AromaticContact CE1-CH2 3.73Å; Y192-W288 HydrophobicContact CE1-CH2 3.73Å; Y192-W288 HydrophobicContact CE1-CZ3 4.45Å; I206-W288 PolarHBondContact O-NE1 2.76Å; R208-W288 HydrophobicContact CB-CH2 3.62Å; R208-W288 HydrophobicContact CB-CZ2 3.78Å; I216-W288 HydrophobicContact CB-CD2 4.17Å; I216-W288 HydrophobicContact CB-CE3 4.23Å; I216-W288 HydrophobicContact CB-CH2 4.13Å; I216-W288 HydrophobicContact CB-CZ2 4.07Å; I216-W288 HydrophobicContact CB-CZ3 4.21Å; I216-W288 HydrophobicContact CD1-CE3 4.45Å; I216-W288 HydrophobicContact CD1-CZ3 4.34Å; I216-W288 HydrophobicContact CG2-CB 4.25Å; I216-W288 HydrophobicContact CG2-CD2 3.35Å; I216-W288 HydrophobicContact CG2-CE3 3.62Å; I216-W288 HydrophobicContact CG2-CG 3.67Å; I216-W288 HydrophobicContact CG2-CH2 4.34Å; I216-W288 HydrophobicContact CG2-CZ2 4.14Å; I216-W288 HydrophobicContact CG2-CZ3 4.11Å; R217-W288 PolarHBondContact O-N 3.4Å; R217-W288 VanDerWaalsContact O-N 3.1Å; W225-W288 WeakPolarHBondContact CH2-O 3.34Å; W225-W288 HydrophobicContact CZ3-CB 4.21Å; L273-W288 HydrophobicContact CD1-CD2 3.92Å; L273-W288 HydrophobicContact CD1-CE3 4.25Å; L273-W288 HydrophobicContact CD1-CG 4.49Å; L273-W288 HydrophobicContact CD1-CH2 4.15Å; L273-W288 HydrophobicContact CD1-CZ2 3.8Å; L273-W288 HydrophobicContact CD1-CZ3 4.36Å; L273-W288 HydrophobicContact CD2-CB 3.85Å; L273-W288 HydrophobicContact CD2-CD2 3.5Å; L273-W288 VanDerWaalsContact CD2-CD2 3.5Å; L273-W288 HydrophobicContact CD2-CE3 3.76Å; L273-W288 HydrophobicContact CD2-CG 3.53Å; L273-W288 HydrophobicContact CG-CD2 4.34Å; L273-W288 HydrophobicContact CG-CE3 4.5Å; D277-W288 HydrophobicContact CB-CE3 3.85Å; D277-W288 HydrophobicContact CB-CZ3 3.94Å; W288-F291 HydrophobicContact CB-CB 3.95Å
289	T	97.3	Very high	96.5	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.031	15%	0.145	C	C	.	.	S	Bend	trans	-113.8	-17.3	174.7	61.6	0	0	0	0	112.1	D277 G279 G280 L284 T398 I406 A409	D277-T289 VanDerWaalsContact CG-OG1 3.26Å; D277-T289 PolarHBondContact OD1-OG1 3.04Å; D277-T289 PolarHBondContact OD2-N 3.41Å; D277-T289 PolarHBondContact OD2-OG1 2.96Å; D277-T289 VanDerWaalsContact OD2-OG1 3.12Å; G279-T289 VanDerWaalsContact C-CG2 3.45Å; G280-T289 VanDerWaalsContact N-CG2 3.28Å; L284-T289 HydrophobicContact CB-CG2 4.23Å; T289-T398 VanDerWaalsContact OG1-CB 3.26Å; T289-T398 WeakPolarHBondContact OG1-CB 3.26Å; T289-T398 VanDerWaalsContact OG1-CG2 3.27Å; T289-T398 WeakPolarHBondContact OG1-CG2 3.47Å; T289-I406 HydrophobicContact CG2-CD1 3.6Å; T289-A409 WeakPolarHBondContact O-CB 3.17Å
290	T	97.6	Very high	96.3	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	16%	0.158	C	C	.	.	S	Bend	trans	-106.1	3.3	-176.1	59.7	0	0	0	0	114.2	Q272 C274 D277 L292 T398 F401	Q272-T290 PolarHBondContact NE2-O 3.07Å; C274-T290 HydrophobicContact CB-CG2 3.84Å; C274-T290 PolarHBondContact N-OG1 2.86Å; D277-T290 HydrophobicContact CB-CG2 4.43Å; D277-T290 WeakPolarHBondContact OD2-CB 3.43Å; D277-T290 PolarHBondContact OD2-N 3.3Å; D277-T290 PolarHBondContact OD2-OG1 3.24Å; T290-L292 PolarHBondContact O-N 2.63Å; T290-T398 HydrophobicContact CG2-CG2 4.11Å; T290-F401 HydrophobicContact CG2-CE2 4.49Å
291	F	98.6	Very high	95.8	Very high	3 Å²	3	34.3 Å²	34.3	1%	0.013	17%	0.17	C	C	.	.			trans	-67.4	122.2	-179.2	-178.5	-110.5	0	0	0	112.5	I206 W225 L226 Q272 L273 W288 K293 P413	I206-F291 HydrophobicContact CD1-CD2 4.39Å; I206-F291 HydrophobicContact CD1-CE2 3.64Å; I206-F291 HydrophobicContact CD1-CZ 4.27Å; W225-F291 HydrophobicContact CD2-CD1 4.22Å; W225-F291 HydrophobicContact CE3-CB 4.38Å; W225-F291 AromaticContact CE3-CD1 3.42Å; W225-F291 HydrophobicContact CE3-CD1 3.42Å; W225-F291 VanDerWaalsContact CE3-CD1 3.42Å; W225-F291 HydrophobicContact CE3-CE1 4.02Å; W225-F291 HydrophobicContact CE3-CG 4.15Å; W225-F291 HydrophobicContact CH2-CB 4.38Å; W225-F291 HydrophobicContact CZ3-CB 3.73Å; W225-F291 AromaticContact CZ3-CD1 3.67Å; W225-F291 HydrophobicContact CZ3-CD1 3.67Å; W225-F291 AromaticContact CZ3-CG 3.99Å; W225-F291 HydrophobicContact CZ3-CG 3.99Å; L226-F291 HydrophobicContact CD2-CZ 4.33Å; Q272-F291 WeakPolarHBondContact O-CA 3.42Å; L273-F291 HydrophobicContact CD2-CB 3.65Å; L273-F291 HydrophobicContact CD2-CD2 3.82Å; L273-F291 HydrophobicContact CD2-CG 4.22Å; L273-F291 HydrophobicContact CG-CD2 4.26Å; W288-F291 HydrophobicContact CB-CB 3.95Å; F291-K293 HydrophobicContact CZ-CB 4.28Å; F291-K293 HydrophobicContact CZ-CD 4.42Å; F291-P413 HydrophobicContact CD1-CB 4.05Å; F291-P413 HydrophobicContact CE1-CB 4.24Å
292	L	98.8	Very high	95.2	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	151.8	169	-61.6	176.5	0	0	0	109.7	G271 Q272 T290 F358 F362 P413 M415	G271-L292 CarbonylContact C-O 3.5Å; G271-L292 WeakPolarHBondContact CA-O 3.37Å; Q272-L292 HydrophobicContact CG-CB 3.95Å; Q272-L292 PolarHBondContact N-O 2.98Å; Q272-L292 PolarHBondContact O-N 3.45Å; T290-L292 PolarHBondContact O-N 2.63Å; L292-F358 HydrophobicContact CB-CD1 3.92Å; L292-F358 HydrophobicContact CB-CE1 3.99Å; L292-F358 HydrophobicContact CD1-CD1 4.49Å; L292-F362 HydrophobicContact CD1-CE1 4.06Å; L292-F362 HydrophobicContact CD2-CD1 4.27Å; L292-F362 HydrophobicContact CD2-CE1 3.72Å; L292-P413 CarbonylContact C-O 3.57Å; L292-P413 VanDerWaalsContact CA-O 3.3Å; L292-P413 WeakPolarHBondContact CA-O 3.38Å; L292-M415 HydrophobicContact CB-SD 4.27Å; L292-M415 HydrophobicContact CD1-SD 3.81Å; L292-M415 HydrophobicContact CD2-SD 4.17Å; L292-M415 HydrophobicContact CG-SD 4.32Å
293	K	98.7	Very high	94.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	153.1	173.2	68.4	-178.3	178.6	-174	0	112.3	R224 W225 F252 E254 I270 F291 P413 L414 M415	R224-K293 WeakPolarHBondContact O-CE 3.06Å; R224-K293 PolarHBondContact O-NZ 3.43Å; W225-K293 VanDerWaalsContact C-NZ 3.35Å; W225-K293 WeakPolarHBondContact O-CE 3.3Å; W225-K293 PolarHBondContact O-NZ 3.07Å; F252-K293 HydrophobicContact CE2-CD 4.48Å; F252-K293 HydrophobicContact CZ-CB 4.34Å; F252-K293 HydrophobicContact CZ-CD 4.01Å; E254-K293 WeakPolarHBondContact OE1-CE 3.01Å; E254-K293 IonicContact OE1-NZ 2.76Å; E254-K293 PolarHBondContact OE1-NZ 2.96Å; E254-K293 IonicContact OE2-NZ 3.53Å; E254-K293 PolarHBondContact OE2-NZ 2.89Å; I270-K293 CarbonylContact O-C 3.57Å; I270-K293 VanDerWaalsContact O-CA 3.3Å; I270-K293 WeakPolarHBondContact O-CA 3.02Å; F291-K293 HydrophobicContact CZ-CB 4.28Å; F291-K293 HydrophobicContact CZ-CD 4.42Å; K293-P413 PolarHBondContact N-O 3.43Å; K293-L414 HydrophobicContact CG-CD1 4.03Å; K293-L414 WeakPolarHBondContact O-CA 3.16Å; K293-M415 PolarHBondContact O-N 2.91Å
294	T	98.6	Very high	93.7	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	160.2	172.6	-174.2	0	0	0	0	111.3	R269 I270 A357 F358 N417 V419	R269-T294 VanDerWaalsContact CA-O 3.29Å; R269-T294 WeakPolarHBondContact CA-O 3.32Å; R269-T294 WeakPolarHBondContact CD-O 3.5Å; I270-T294 HydrophobicContact CG2-CG2 3.58Å; I270-T294 PolarHBondContact N-O 2.88Å; I270-T294 VanDerWaalsContact N-O 3.08Å; I270-T294 PolarHBondContact O-N 2.92Å; T294-A357 HydrophobicContact CG2-CB 4.11Å; T294-F358 HydrophobicContact CG2-CE1 4.05Å; T294-F358 HydrophobicContact CG2-CE2 4.44Å; T294-F358 HydrophobicContact CG2-CZ 3.97Å; T294-N417 PolarHBondContact OG1-O 3.19Å; T294-V419 HydrophobicContact CG2-CG2 3.7Å
295	R	98	Very high	92.8	Very high	35 Å²	35	33.4 Å²	33.4	13%	0.132	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	132	175.7	-173.6	172.9	178.3	-152.1	-4.6	110.5	Y267 S268 I297 D311 P418 V419	Y267-R295 HydrophobicContact CD2-CG 4.43Å; Y267-R295 VanDerWaalsContact CE1-NH2 3.34Å; Y267-R295 HydrophobicContact CG-CG 4.39Å; S268-R295 WeakPolarHBondContact O-CA 3.42Å; R295-I297 HydrophobicContact CG-CD1 3.99Å; R295-D311 IonicContact CZ-OD1 2.8Å; R295-D311 IonicContact NE-OD1 3.67Å; R295-D311 PolarHBondContact NE-OD1 2.81Å; R295-D311 IonicContact NH2-OD1 3.6Å; R295-D311 PolarHBondContact NH2-OD1 2.89Å; R295-D311 IonicContact NH2-OD2 2.71Å; R295-D311 PolarHBondContact NH2-OD2 3.22Å; R295-P418 HydrophobicContact CB-CB 4.2Å; R295-P418 WeakPolarHBondContact O-CA 3.31Å; R295-V419 PolarHBondContact O-N 2.67Å
296	L	98.1	Very high	92.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-86.7	129.3	162.1	-71	166.3	0	0	0	108.3	F251 S268 I270 F333 Y349 V419	F251-L296 HydrophobicContact CD1-CD1 3.86Å; F251-L296 HydrophobicContact CE1-CD1 4.12Å; S268-L296 PolarHBondContact O-N 2.91Å; I270-L296 HydrophobicContact CB-CD1 4.15Å; I270-L296 HydrophobicContact CB-CD2 4.26Å; I270-L296 HydrophobicContact CB-CG 4.15Å; I270-L296 HydrophobicContact CG2-CD2 3.99Å; I270-L296 HydrophobicContact CG2-CG 4.11Å; L296-F333 HydrophobicContact CB-CZ 4.13Å; L296-Y349 HydrophobicContact CD2-CD1 4.34Å; L296-Y349 HydrophobicContact CD2-CD2 4.23Å; L296-Y349 HydrophobicContact CD2-CE1 4.07Å; L296-Y349 HydrophobicContact CD2-CE2 3.95Å; L296-Y349 HydrophobicContact CD2-CG 4.41Å; L296-V419 HydrophobicContact CD2-CB 4.08Å; L296-V419 HydrophobicContact CD2-CG1 4.14Å
297	I	97.7	Very high	91.8	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.015	21%	0.21	C	C	.	.			trans	-104.6	123.1	176.5	-62.4	-71.2	0	0	0	109.4	R295 Y309 Y349 P418 V419 Y420 P421	R295-I297 HydrophobicContact CG-CD1 3.99Å; I297-Y309 HydrophobicContact CD1-CE1 4.18Å; I297-Y309 HydrophobicContact CG2-CD1 4.35Å; I297-Y309 HydrophobicContact CG2-CE1 4Å; I297-Y349 PolarHBondContact O-OH 3.32Å; I297-P418 HydrophobicContact CD1-CB 4.39Å; I297-P418 HydrophobicContact CG1-CB 3.74Å; I297-P418 HydrophobicContact CG1-CG 4.24Å; I297-V419 PolarHBondContact N-O 2.95Å; I297-Y420 HydrophobicContact CB-CD1 4.06Å; I297-Y420 HydrophobicContact CB-CE1 4.24Å; I297-Y420 HydrophobicContact CG1-CD1 4.45Å; I297-Y420 HydrophobicContact CG1-CE1 4.25Å; I297-Y420 HydrophobicContact CG2-CD1 3.85Å; I297-Y420 HydrophobicContact CG2-CE1 3.84Å; I297-P421 VanDerWaalsContact O-CD 3.27Å; I297-P421 WeakPolarHBondContact O-CD 3.48Å
298	C	97.1	Very high	91.5	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.007	22%	0.218	C	C	.	.			trans	-124	110.4	161.2	-165.7	0	0	0	0	107.6	F310 F333 C347	C298-F310 HydrophobicContact CB-CB 4.43Å; C298-F310 PolarHBondContact O-N 2.89Å; C298-F333 HydrophobicContact CB-CB 4.46Å; C298-F333 HydrophobicContact CB-CD1 4.38Å; C298-F333 HydrophobicContact CB-CD2 3.4Å; C298-F333 HydrophobicContact CB-CE1 4.5Å; C298-F333 HydrophobicContact CB-CE2 3.53Å; C298-F333 HydrophobicContact CB-CG 3.85Å; C298-F333 HydrophobicContact CB-CZ 4.11Å; C298-F333 VanDerWaalsContact SG-CD2 3.6Å; C298-C347 VanDerWaalsContact CA-SG 3.51Å; C298-C347 HydrophobicContact CB-CB 3.86Å; C298-C347 WeakPolarHBondContact CB-SG 3.46Å; C298-C347 WeakPolarHBondContact SG-CB 3.4Å; C298-C347 CovalentContact SG-SG 2.04Å; C298-C347 PolarHBondContact SG-SG 3.26Å
299	S	94.5	Very high	91.2	Very high	4 Å²	4	35.9 Å²	35.9	3%	0.028	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	153.2	-179.1	56.2	0	0	0	0	112.4	D307 T308 P426	S299-D307 VanDerWaalsContact CB-OD2 3.31Å; S299-D307 WeakPolarHBondContact CB-OD2 3.5Å; S299-D307 PolarHBondContact OG-OD2 2.93Å; S299-T308 WeakPolarHBondContact CA-O 3.5Å; S299-T308 WeakPolarHBondContact CB-O 3.09Å; S299-P426 WeakPolarHBondContact O-CD 3.35Å
300	V	91.1	Very high	91.1	Very high	44 Å²	44	35.8 Å²	35.8	27%	0.267	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	120.2	166.6	176.9	0	0	0	0	107.6	G302 T308 F310 P426 V429	V300-G302 PolarHBondContact O-N 3.07Å; V300-T308 PolarHBondContact N-O 2.86Å; V300-T308 PolarHBondContact O-N 2.99Å; V300-F310 HydrophobicContact CG2-CE2 4.01Å; V300-P426 HydrophobicContact CG2-CG 3.75Å; V300-V429 HydrophobicContact CG2-CG2 4.03Å
301	P	86.2	Confident	90.9	Very high	44 Å²	44	36.4 Å²	36.4	29%	0.286	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	126	176.6	28.7	-34.3	0	0	0	110.6	D307	P301-D307 WeakPolarHBondContact CA-OD1 3.18Å; P301-D307 WeakPolarHBondContact CB-OD1 3.31Å
302	G	80.1	Confident	90.8	Very high	28 Å²	28	37.1 Å²	37.1	29%	0.289	24%	0.24	S	C	.	.			trans	-76.3	163.5	179.4	0	0	0	0	0	113.7	V300 D304 G305 S306	V300-G302 PolarHBondContact O-N 3.07Å; G302-D304 PolarHBondContact O-N 2.96Å; G302-G305 PolarHBondContact O-N 2.93Å; G302-G305 VanDerWaalsContact O-N 3.11Å; G302-S306 VanDerWaalsContact CA-O 3.28Å; G302-S306 WeakPolarHBondContact CA-O 3.5Å; G302-S306 PolarHBondContact N-O 2.75Å
303	A	77	Confident	90.8	Very high	122 Å²	122	37 Å²	37	100%	1.008	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-18.2	-179.4	0	0	0	0	0	113.7	G305	A303-G305 VanDerWaalsContact C-N 3.35Å
304	D	76.9	Confident	90.7	Very high	126 Å²	126	41.2 Å²	41.2	67%	0.674	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-0.8	172.1	63.9	-15.4	0	0	0	113	G302 S306	G302-D304 PolarHBondContact O-N 2.96Å; D304-S306 VanDerWaalsContact CG-OG 3.25Å; D304-S306 WeakPolarHBondContact OD1-CB 3.42Å; D304-S306 PolarHBondContact OD1-N 3.03Å; D304-S306 PolarHBondContact OD1-OG 2.67Å; D304-S306 PolarHBondContact OD2-OG 2.95Å
305	G	75.1	Confident	90.7	Very high	68 Å²	68	42.1 Å²	42.1	70%	0.701	26%	0.26	S	S	*	.	S	Bend	trans	84.7	3.9	-173.7	0	0	0	0	0	114.9	G302 A303	G302-G305 PolarHBondContact O-N 2.93Å; G302-G305 VanDerWaalsContact O-N 3.11Å; A303-G305 VanDerWaalsContact C-N 3.35Å
306	S	84.1	Confident	90.7	Very high	61 Å²	61	40.8 Å²	40.8	43%	0.427	26%	0.256	S	S	.	.			trans	-87.7	128.9	175.4	74.5	0	0	0	0	111.9	G302 D304	G302-S306 VanDerWaalsContact CA-O 3.28Å; G302-S306 WeakPolarHBondContact CA-O 3.5Å; G302-S306 PolarHBondContact N-O 2.75Å; D304-S306 VanDerWaalsContact CG-OG 3.25Å; D304-S306 WeakPolarHBondContact OD1-CB 3.42Å; D304-S306 PolarHBondContact OD1-N 3.03Å; D304-S306 PolarHBondContact OD1-OG 2.67Å; D304-S306 PolarHBondContact OD2-OG 2.95Å
307	D	87.9	Confident	90.8	Very high	52 Å²	52	43 Å²	43	28%	0.278	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	124.4	176.6	-103.1	20.2	0	0	0	110.9	S299 P301 Y309	S299-D307 VanDerWaalsContact CB-OD2 3.31Å; S299-D307 WeakPolarHBondContact CB-OD2 3.5Å; S299-D307 PolarHBondContact OG-OD2 2.93Å; P301-D307 WeakPolarHBondContact CA-OD1 3.18Å; P301-D307 WeakPolarHBondContact CB-OD1 3.31Å; D307-Y309 HydrophobicContact CB-CD2 4.11Å; D307-Y309 HydrophobicContact CB-CE1 4Å; D307-Y309 HydrophobicContact CB-CE2 3.42Å; D307-Y309 VanDerWaalsContact CB-CE2 3.42Å; D307-Y309 VanDerWaalsContact CB-OH 3.22Å; D307-Y309 WeakPolarHBondContact CB-OH 3.29Å; D307-Y309 WeakPolarHBondContact O-CD2 3.43Å; D307-Y309 PolarHBondContact O-N 3.23Å; D307-Y309 WeakPolarHBondContact OD2-CE1 3.36Å; D307-Y309 PolarHBondContact OD2-OH 3.02Å
308	T	89.9	Confident	90.7	Very high	66 Å²	66	43.8 Å²	43.8	41%	0.405	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	103.4	167.4	-62.9	0	0	0	0	109.4	S299 V300 F310	S299-T308 WeakPolarHBondContact CA-O 3.5Å; S299-T308 WeakPolarHBondContact CB-O 3.09Å; V300-T308 PolarHBondContact N-O 2.86Å; V300-T308 PolarHBondContact O-N 2.99Å; T308-F310 HydrophobicContact CG2-CE2 4.21Å; T308-F310 HydrophobicContact CG2-CZ 4.46Å
309	Y	92.1	Very high	90.8	Very high	88 Å²	88	44.4 Å²	44.4	35%	0.345	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	141.6	-178.8	-66.7	-76.1	0	0	0	113.9	I297 D307 D311	I297-Y309 HydrophobicContact CD1-CE1 4.18Å; I297-Y309 HydrophobicContact CG2-CD1 4.35Å; I297-Y309 HydrophobicContact CG2-CE1 4Å; D307-Y309 HydrophobicContact CB-CD2 4.11Å; D307-Y309 HydrophobicContact CB-CE1 4Å; D307-Y309 HydrophobicContact CB-CE2 3.42Å; D307-Y309 VanDerWaalsContact CB-CE2 3.42Å; D307-Y309 VanDerWaalsContact CB-OH 3.22Å; D307-Y309 WeakPolarHBondContact CB-OH 3.29Å; D307-Y309 WeakPolarHBondContact O-CD2 3.43Å; D307-Y309 PolarHBondContact O-N 3.23Å; D307-Y309 WeakPolarHBondContact OD2-CE1 3.36Å; D307-Y309 PolarHBondContact OD2-OH 3.02Å; Y309-D311 WeakPolarHBondContact CB-OD2 3.44Å
310	F	95.1	Very high	90.8	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.009	30%	0.295	C	S	.	.			trans	-112.6	74.9	171.4	-59.4	-104.8	0	0	0	108.2	C298 V300 T308 E312 F333 S334 T335 A345 V429	C298-F310 HydrophobicContact CB-CB 4.43Å; C298-F310 PolarHBondContact O-N 2.89Å; V300-F310 HydrophobicContact CG2-CE2 4.01Å; T308-F310 HydrophobicContact CG2-CE2 4.21Å; T308-F310 HydrophobicContact CG2-CZ 4.46Å; F310-E312 VanDerWaalsContact C-N 3.34Å; F310-E312 PolarHBondContact O-N 2.03Å; F310-F333 HydrophobicContact CB-CB 3.6Å; F310-F333 HydrophobicContact CB-CG 4.46Å; F310-F333 WeakPolarHBondContact O-CB 3.33Å; F310-F333 WeakPolarHBondContact O-CD1 3.43Å; F310-F333 WeakPolarHBondContact O-CG 3.37Å; F310-S334 CarbonylContact C-O 3.55Å; F310-S334 WeakPolarHBondContact CA-O 3.46Å; F310-T335 HydrophobicContact CD1-CG2 3.83Å; F310-T335 HydrophobicContact CE1-CG2 3.93Å; F310-T335 HydrophobicContact CG-CG2 4.49Å; F310-A345 HydrophobicContact CB-CB 4.49Å; F310-A345 HydrophobicContact CD1-CB 3.76Å; F310-A345 HydrophobicContact CD2-CB 4.04Å; F310-A345 HydrophobicContact CE1-CB 3.88Å; F310-A345 HydrophobicContact CE2-CB 4.18Å; F310-A345 HydrophobicContact CG-CB 3.85Å; F310-A345 HydrophobicContact CZ-CB 4.1Å; F310-V429 HydrophobicContact CZ-CG1 4.11Å
311	D	93.6	Very high	90.9	Very high	14 Å²	14	49.1 Å²	49.1	8%	0.075	30%	0.295	C	S	.	.			trans	-81.3	-3.3	-171.6	-84.8	-61.2	0	0	0	115.1	T266 Y267 S268 R295 Y309	T266-D311 WeakPolarHBondContact O-CB 3.33Å; Y267-D311 HydrophobicContact CD1-CB 4.4Å; Y267-D311 WeakPolarHBondContact CD1-OD1 3.45Å; S268-D311 PolarHBondContact N-O 3.4Å; S268-D311 PolarHBondContact OG-O 2.91Å; R295-D311 IonicContact CZ-OD1 2.8Å; R295-D311 IonicContact NE-OD1 3.67Å; R295-D311 PolarHBondContact NE-OD1 2.81Å; R295-D311 IonicContact NH2-OD1 3.6Å; R295-D311 PolarHBondContact NH2-OD1 2.89Å; R295-D311 IonicContact NH2-OD2 2.71Å; R295-D311 PolarHBondContact NH2-OD2 3.22Å; Y309-D311 WeakPolarHBondContact CB-OD2 3.44Å
312	E	95.7	Very high	91.1	Very high	18 Å²	18	58.5 Å²	58.5	8%	0.084	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	85.2	-178.4	-75.7	-71.6	155.7	0	0	111.8	R253 T266 F310 F333 S334	R253-E312 WeakPolarHBondContact CD-OE2 3.39Å; R253-E312 IonicContact CZ-OE2 3.3Å; R253-E312 IonicContact NE-OE2 3.53Å; R253-E312 PolarHBondContact NE-OE2 2.91Å; R253-E312 IonicContact NH1-OE2 3.78Å; R253-E312 PolarHBondContact NH1-OE2 3.37Å; T266-E312 WeakPolarHBondContact CB-OE1 3.41Å; T266-E312 WeakPolarHBondContact CG2-OE1 3Å; T266-E312 PolarHBondContact OG1-OE1 2.91Å; F310-E312 VanDerWaalsContact C-N 3.34Å; F310-E312 PolarHBondContact O-N 2.03Å; E312-F333 WeakPolarHBondContact O-CA 3.47Å; E312-S334 WeakPolarHBondContact CB-O 3.33Å; E312-S334 VanDerWaalsContact CB-OG 3.24Å; E312-S334 WeakPolarHBondContact CB-OG 3.48Å; E312-S334 PolarHBondContact N-O 3.08Å; E312-S334 PolarHBondContact O-N 2.87Å
313	L	98.3	Very high	91.8	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	138.4	172.7	-174.4	72.8	0	0	0	111	V232 F251 R253 S268 V316 T331 V332 F333	V232-L313 HydrophobicContact CB-CD2 4.03Å; V232-L313 HydrophobicContact CB-CG 4.47Å; V232-L313 HydrophobicContact CG1-CD2 4.17Å; V232-L313 HydrophobicContact CG1-CG 4.26Å; V232-L313 HydrophobicContact CG2-CD2 3.95Å; V232-L313 HydrophobicContact CG2-CG 4.12Å; F251-L313 HydrophobicContact CB-CD2 4.07Å; R253-L313 VanDerWaalsContact CZ-O 3.28Å; R253-L313 PolarHBondContact NH1-O 2.03Å; S268-L313 WeakPolarHBondContact OG-CB 3.45Å; S268-L313 PolarHBondContact OG-N 2.71Å; L313-V316 HydrophobicContact CD1-CG2 3.97Å; L313-V316 HydrophobicContact CD2-CG2 3.89Å; L313-V316 HydrophobicContact CG-CG2 4.3Å; L313-T331 HydrophobicContact CD1-CG2 4.29Å; L313-V332 WeakPolarHBondContact CD1-O 3.41Å; L313-F333 HydrophobicContact CB-CD1 3.96Å; L313-F333 HydrophobicContact CB-CE1 3.83Å; L313-F333 HydrophobicContact CD1-CD1 4.02Å; L313-F333 HydrophobicContact CD1-CD2 4.49Å; L313-F333 HydrophobicContact CD1-CE1 3.61Å; L313-F333 HydrophobicContact CD1-CE2 4.14Å; L313-F333 HydrophobicContact CD1-CG 4.45Å; L313-F333 HydrophobicContact CD1-CZ 3.67Å; L313-F333 HydrophobicContact CG-CE1 4.32Å
314	R	97.7	Very high	92.5	Very high	88 Å²	88	61.6 Å²	61.6	33%	0.332	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	-43.8	-178.8	-62.1	-68.9	170.7	172	-5.2	112.5	V232 V332 S334	V232-R314 WeakPolarHBondContact CG1-O 3.21Å; R314-V332 HydrophobicContact CB-CB 4.18Å; R314-V332 HydrophobicContact CB-CG1 3.88Å; R314-V332 HydrophobicContact CG-CG1 4.32Å; R314-V332 PolarHBondContact N-O 2.9Å; R314-S334 PolarHBondContact NE-OG 2.81Å; R314-S334 PolarHBondContact NH2-OG 2.86Å
315	D	98.6	Very high	93.4	Very high	20 Å²	20	57.9 Å²	57.9	11%	0.107	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	160.5	-176.3	-164.9	25.7	0	0	0	112.8	V232 T331 V332 Q439 I440	V232-D315 VanDerWaalsContact CG1-CA 3.48Å; D315-T331 WeakPolarHBondContact O-CA 3.45Å; D315-V332 HydrophobicContact CB-CB 4.2Å; D315-V332 HydrophobicContact CB-CG2 4.29Å; D315-V332 PolarHBondContact O-N 2.79Å; D315-Q439 PolarHBondContact OD1-NE2 2.9Å; D315-Q439 VanDerWaalsContact OD2-CA 3.26Å; D315-Q439 WeakPolarHBondContact OD2-CA 3.46Å; D315-Q439 PolarHBondContact OD2-NE2 2.79Å; D315-I440 HydrophobicContact CB-CG2 4.5Å; D315-I440 PolarHBondContact OD2-N 2.74Å
316	V	98.6	Very high	94.4	Very high	8 Å²	8	57.4 Å²	57.4	5%	0.048	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	129.5	-179	-178.1	0	0	0	0	111	V232 F235 F251 L313 L318 V329 Y330 T331	V232-V316 HydrophobicContact CG1-CG2 4.11Å; F235-V316 HydrophobicContact CE2-CB 4.08Å; F235-V316 HydrophobicContact CE2-CG1 3.74Å; F235-V316 HydrophobicContact CZ-CB 4.47Å; F235-V316 HydrophobicContact CZ-CG1 4.3Å; F235-V316 WeakPolarHBondContact CZ-O 3.37Å; F251-V316 HydrophobicContact CB-CG2 3.74Å; F251-V316 HydrophobicContact CD1-CG1 4.06Å; F251-V316 HydrophobicContact CD1-CG2 3.79Å; F251-V316 HydrophobicContact CD2-CG1 4.19Å; F251-V316 HydrophobicContact CE1-CG1 4.1Å; F251-V316 HydrophobicContact CE2-CG1 4.24Å; F251-V316 HydrophobicContact CG-CB 4.36Å; F251-V316 HydrophobicContact CG-CG1 4.1Å; F251-V316 HydrophobicContact CG-CG2 3.81Å; F251-V316 HydrophobicContact CZ-CG1 4.19Å; L313-V316 HydrophobicContact CD1-CG2 3.97Å; L313-V316 HydrophobicContact CD2-CG2 3.89Å; L313-V316 HydrophobicContact CG-CG2 4.3Å; V316-L318 HydrophobicContact CG1-CD1 3.91Å; V316-V329 HydrophobicContact CG1-CG1 3.77Å; V316-Y330 WeakPolarHBondContact CA-O 3.31Å; V316-T331 HydrophobicContact CG1-CG2 4.25Å; V316-T331 HydrophobicContact CG2-CG2 4.08Å
317	F	98.5	Very high	95	Very high	45 Å²	45	54.5 Å²	54.5	20%	0.197	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	125.6	177.7	-175	-87.2	0	0	0	111	L319 Y330 I440 A441 V442 I500	F317-L319 HydrophobicContact CD1-CB 4.4Å; F317-L319 HydrophobicContact CE1-CB 4.21Å; F317-L319 HydrophobicContact CE1-CD1 4.33Å; F317-Y330 PolarHBondContact N-O 3.43Å; F317-Y330 PolarHBondContact O-N 2.61Å; F317-I440 HydrophobicContact CB-CG2 3.91Å; F317-A441 HydrophobicContact CD2-CB 4.33Å; F317-A441 HydrophobicContact CE2-CB 4.1Å; F317-V442 HydrophobicContact CD1-CB 3.81Å; F317-V442 HydrophobicContact CD1-CG2 3.87Å; F317-V442 HydrophobicContact CE1-CB 3.72Å; F317-V442 HydrophobicContact CE1-CG2 4.3Å; F317-V442 VanDerWaalsContact CE1-O 3.22Å; F317-V442 WeakPolarHBondContact CE1-O 3.28Å; F317-V442 HydrophobicContact CG-CG2 4.46Å; F317-V442 VanDerWaalsContact CZ-O 3.27Å; F317-V442 WeakPolarHBondContact CZ-O 3.16Å; F317-I500 HydrophobicContact CE2-CG2 3.86Å; F317-I500 HydrophobicContact CZ-CG2 3.86Å
318	L	97.6	Very high	95.5	Very high	20 Å²	20	53.6 Å²	53.6	11%	0.105	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	102.3	176.2	-94.3	65.9	0	0	0	110.7	F235 V237 V316 Q320 P327 L328 V329	F235-L318 HydrophobicContact CB-CD2 3.62Å; F235-L318 HydrophobicContact CD1-CB 4.32Å; F235-L318 HydrophobicContact CD1-CD1 4.06Å; F235-L318 HydrophobicContact CD1-CD2 4Å; F235-L318 HydrophobicContact CD1-CG 4.35Å; F235-L318 HydrophobicContact CD2-CD1 3.64Å; F235-L318 HydrophobicContact CD2-CD2 4.33Å; F235-L318 HydrophobicContact CE1-CB 4.47Å; F235-L318 HydrophobicContact CE1-CD1 4.17Å; F235-L318 HydrophobicContact CE2-CD1 3.77Å; F235-L318 HydrophobicContact CG-CD1 3.79Å; F235-L318 HydrophobicContact CG-CD2 3.72Å; F235-L318 HydrophobicContact CG-CG 4.28Å; F235-L318 HydrophobicContact CZ-CD1 4.04Å; V237-L318 HydrophobicContact CG2-CD2 4Å; V316-L318 HydrophobicContact CG1-CD1 3.91Å; L318-Q320 PolarHBondContact O-N 3.41Å; L318-P327 HydrophobicContact CB-CB 4.47Å; L318-P327 HydrophobicContact CD2-CB 4.36Å; L318-P327 HydrophobicContact CD2-CG 4.1Å; L318-P327 HydrophobicContact CG-CB 4.36Å; L318-L328 WeakPolarHBondContact CA-O 3.41Å; L318-V329 HydrophobicContact CD1-CB 4.47Å; L318-V329 HydrophobicContact CD1-CG1 4.05Å; L318-V329 HydrophobicContact CD1-CG2 4.09Å; L318-V329 HydrophobicContact CG-CG2 4.23Å
319	L	97.3	Very high	95.9	Very high	14 Å²	14	50.4 Å²	50.4	7%	0.073	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	104.8	171.4	-177.8	64.1	0	0	0	109.1	F317 P327 L328 Y330 V442 R444 D453	F317-L319 HydrophobicContact CD1-CB 4.4Å; F317-L319 HydrophobicContact CE1-CB 4.21Å; F317-L319 HydrophobicContact CE1-CD1 4.33Å; L319-P327 WeakPolarHBondContact O-CA 3.43Å; L319-L328 HydrophobicContact CB-CB 4.4Å; L319-L328 PolarHBondContact N-O 2.9Å; L319-L328 PolarHBondContact O-N 2.95Å; L319-Y330 HydrophobicContact CB-CD2 4.12Å; L319-Y330 HydrophobicContact CB-CE2 4.15Å; L319-Y330 HydrophobicContact CD2-CE2 3.86Å; L319-V442 HydrophobicContact CD2-CG1 4.09Å; L319-R444 HydrophobicContact CD1-CB 4.36Å; L319-D453 HydrophobicContact CD2-CB 4.37Å; L319-D453 WeakPolarHBondContact CD2-OD1 3.4Å; L319-D453 WeakPolarHBondContact CD2-OD2 3.26Å
320	Q	95	Very high	96.2	Very high	104 Å²	104	46.8 Å²	46.8	49%	0.486	21%	0.211	S	C	.	.			trans	-62.2	133.5	176.9	-66	-64.5	-31.4	0	0	110.8	L318	L318-Q320 PolarHBondContact O-N 3.41Å
321	T	93.4	Very high	96.4	Very high	43 Å²	43	46.7 Å²	46.7	26%	0.264	21%	0.21	S	C	.	.			trans	-101.5	-169.6	174.9	79.9	0	0	0	0	110.7	D323 N326 L328	T321-D323 PolarHBondContact O-N 2.85Å; T321-D323 PolarHBondContact OG1-N 3.04Å; T321-D323 PolarHBondContact OG1-O 2.97Å; T321-D323 VanDerWaalsContact OG1-O 3.1Å; T321-N326 WeakPolarHBondContact CG2-O 3.14Å; T321-N326 PolarHBondContact OG1-O 3.31Å; T321-L328 HydrophobicContact CG2-CG 4.09Å
322	R	91.4	Very high	96.6	Very high	242 Å²	242	46 Å²	46	91%	0.913	21%	0.207	S	C	*	.	S	Bend	trans	-66.1	-24.6	173	-64.6	-175.5	-175.8	177.8	2.8	112.2
323	D	93.7	Very high	96.7	Very high	61 Å²	61	45.2 Å²	45.2	33%	0.326	20%	0.203	S	C	.	.	S	Bend	trans	-104.5	115.1	172.9	175.7	14.8	0	0	0	109.7	T321 K325 N326	T321-D323 PolarHBondContact O-N 2.85Å; T321-D323 PolarHBondContact OG1-N 3.04Å; T321-D323 PolarHBondContact OG1-O 2.97Å; T321-D323 VanDerWaalsContact OG1-O 3.1Å; D323-K325 PolarHBondContact O-N 2.77Å; D323-K325 VanDerWaalsContact OD1-CB 3.31Å; D323-K325 WeakPolarHBondContact OD1-CB 3.3Å; D323-K325 WeakPolarHBondContact OD1-CG 2.92Å; D323-K325 PolarHBondContact OD1-N 2.79Å; D323-N326 HydrophobicContact CB-CB 4.48Å; D323-N326 CarbonylContact O-C 3.56Å; D323-N326 PolarHBondContact O-N 3.49Å; D323-N326 PolarHBondContact OD2-ND2 2.94Å
324	K	92.4	Very high	96.6	Very high	154 Å²	154	45.5 Å²	45.5	67%	0.67	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.9	178.9	-63.5	-179.2	-178.7	177.1	0	113.3	P238 N326	P238-K324 HydrophobicContact CG-CB 4.19Å; K324-N326 VanDerWaalsContact C-N 3.31Å
325	K	94.4	Very high	96.3	Very high	48 Å²	48	42 Å²	42	21%	0.209	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-14.9	175.4	-50.5	167.7	-169.9	171.2	0	111.8	P238 S240 E241 D323 P327 R355	P238-K325 HydrophobicContact CG-CG 4.31Å; P238-K325 VanDerWaalsContact O-CA 3.3Å; P238-K325 WeakPolarHBondContact O-CA 3.43Å; P238-K325 WeakPolarHBondContact O-CB 3.37Å; P238-K325 WeakPolarHBondContact O-CG 3.24Å; S240-K325 WeakPolarHBondContact O-CE 3.05Å; E241-K325 WeakPolarHBondContact OE1-CE 3.03Å; E241-K325 IonicContact OE1-NZ 2.77Å; E241-K325 PolarHBondContact OE1-NZ 2.8Å; D323-K325 PolarHBondContact O-N 2.77Å; D323-K325 VanDerWaalsContact OD1-CB 3.31Å; D323-K325 WeakPolarHBondContact OD1-CB 3.3Å; D323-K325 WeakPolarHBondContact OD1-CG 2.92Å; D323-K325 PolarHBondContact OD1-N 2.79Å; K325-P327 VanDerWaalsContact C-CD 3.43Å; K325-R355 PolarHBondContact O-NH1 3.03Å; K325-R355 PolarHBondContact O-NH2 3.46Å
326	N	96.3	Very high	95.6	Very high	57 Å²	57	42.5 Å²	42.5	31%	0.305	20%	0.198	S	C	.	.			trans	-131.1	63.9	-179.3	-69.7	-69.9	0	0	0	111.5	T321 D323 K324 R355	T321-N326 WeakPolarHBondContact CG2-O 3.14Å; T321-N326 PolarHBondContact OG1-O 3.31Å; D323-N326 HydrophobicContact CB-CB 4.48Å; D323-N326 CarbonylContact O-C 3.56Å; D323-N326 PolarHBondContact O-N 3.49Å; D323-N326 PolarHBondContact OD2-ND2 2.94Å; K324-N326 VanDerWaalsContact C-N 3.31Å; N326-R355 PolarHBondContact OD1-NH1 3.31Å
327	P	97.4	Very high	94.4	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	24%	0.236	C	C	.	.			trans	-61.7	158.9	160	30.3	-36.6	0	0	0	110.8	V237 L318 L319 K325 M351	V237-P327 HydrophobicContact CG1-CG 4.21Å; V237-P327 HydrophobicContact CG2-CG 4.2Å; L318-P327 HydrophobicContact CB-CB 4.47Å; L318-P327 HydrophobicContact CD2-CB 4.36Å; L318-P327 HydrophobicContact CD2-CG 4.1Å; L318-P327 HydrophobicContact CG-CB 4.36Å; L319-P327 WeakPolarHBondContact O-CA 3.43Å; K325-P327 VanDerWaalsContact C-CD 3.43Å; P327-M351 HydrophobicContact CG-CG 3.98Å; P327-M351 HydrophobicContact CG-SD 4.45Å; P327-M351 WeakPolarHBondContact O-CG 3.36Å
328	L	97.9	Very high	92.9	Very high	32 Å²	32	50.7 Å²	50.7	17%	0.168	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	135.5	167.1	-66.7	179.6	0	0	0	109.9	L318 L319 T321 Y330 L348 M422	L318-L328 WeakPolarHBondContact CA-O 3.41Å; L319-L328 HydrophobicContact CB-CB 4.4Å; L319-L328 PolarHBondContact N-O 2.9Å; L319-L328 PolarHBondContact O-N 2.95Å; T321-L328 HydrophobicContact CG2-CG 4.09Å; L328-Y330 HydrophobicContact CB-CE2 4.33Å; L328-L348 HydrophobicContact CB-CD1 3.96Å; L328-M422 HydrophobicContact CD2-SD 4.29Å
329	V	98.6	Very high	91.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	100.7	-177.3	-174.4	0	0	0	0	109	F251 V316 L318 T331 Y349 M351 I354	F251-V329 HydrophobicContact CE1-CG1 3.81Å; F251-V329 HydrophobicContact CZ-CG1 3.78Å; V316-V329 HydrophobicContact CG1-CG1 3.77Å; L318-V329 HydrophobicContact CD1-CB 4.47Å; L318-V329 HydrophobicContact CD1-CG1 4.05Å; L318-V329 HydrophobicContact CD1-CG2 4.09Å; L318-V329 HydrophobicContact CG-CG2 4.23Å; V329-T331 HydrophobicContact CG1-CG2 3.97Å; V329-Y349 PolarHBondContact N-O 2.87Å; V329-Y349 PolarHBondContact O-N 2.8Å; V329-M351 HydrophobicContact CG2-SD 4.03Å; V329-I354 HydrophobicContact CG2-CD1 3.98Å
330	Y	98.7	Very high	90.3	Very high	12 Å²	12	58.1 Å²	58.1	5%	0.047	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	144.9	168.4	-78	-94.5	0	0	0	109.9	V316 F317 L319 L328 V346 L348 V427 I440 V442 D453 M455	V316-Y330 WeakPolarHBondContact CA-O 3.31Å; F317-Y330 PolarHBondContact N-O 3.43Å; F317-Y330 PolarHBondContact O-N 2.61Å; L319-Y330 HydrophobicContact CB-CD2 4.12Å; L319-Y330 HydrophobicContact CB-CE2 4.15Å; L319-Y330 HydrophobicContact CD2-CE2 3.86Å; L328-Y330 HydrophobicContact CB-CE2 4.33Å; Y330-V346 HydrophobicContact CD1-CG1 4.14Å; Y330-L348 HydrophobicContact CD1-CD1 4.1Å; Y330-L348 HydrophobicContact CD2-CD1 3.67Å; Y330-L348 HydrophobicContact CE1-CD1 3.93Å; Y330-L348 HydrophobicContact CE1-CD2 4.34Å; Y330-L348 HydrophobicContact CE1-CG 4.5Å; Y330-L348 HydrophobicContact CE2-CD1 3.46Å; Y330-L348 VanDerWaalsContact CE2-CD1 3.46Å; Y330-L348 HydrophobicContact CG-CD1 3.98Å; Y330-V427 HydrophobicContact CE1-CG2 4.36Å; Y330-I440 HydrophobicContact CD1-CD1 4.43Å; Y330-V442 HydrophobicContact CD1-CG2 4Å; Y330-V442 HydrophobicContact CD2-CB 4.46Å; Y330-V442 HydrophobicContact CD2-CG1 4.46Å; Y330-V442 HydrophobicContact CD2-CG2 3.98Å; Y330-V442 HydrophobicContact CE1-CG2 4.44Å; Y330-V442 HydrophobicContact CE2-CG1 4.14Å; Y330-V442 HydrophobicContact CE2-CG2 4.43Å; Y330-V442 HydrophobicContact CG-CG2 3.76Å; Y330-D453 WeakPolarHBondContact OH-CB 3.49Å; Y330-D453 PolarHBondContact OH-OD2 2.97Å; Y330-D453 VanDerWaalsContact OH-OD2 3.09Å; Y330-M455 HydrophobicContact CD1-CG 4.4Å; Y330-M455 HydrophobicContact CD1-SD 4Å; Y330-M455 HydrophobicContact CE1-CG 4.11Å; Y330-M455 HydrophobicContact CE1-SD 3.72Å
331	T	98.7	Very high	89.4	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	142.9	-172.7	52.5	0	0	0	0	111.3	L313 D315 V316 V329 F333 V346 C347 Y349	L313-T331 HydrophobicContact CD1-CG2 4.29Å; D315-T331 WeakPolarHBondContact O-CA 3.45Å; V316-T331 HydrophobicContact CG1-CG2 4.25Å; V316-T331 HydrophobicContact CG2-CG2 4.08Å; V329-T331 HydrophobicContact CG1-CG2 3.97Å; T331-F333 HydrophobicContact CG2-CE2 4.46Å; T331-F333 WeakPolarHBondContact OG1-CE2 3.34Å; T331-V346 CarbonylContact O-C 3.36Å; T331-V346 VanDerWaalsContact O-CA 3.26Å; T331-V346 WeakPolarHBondContact O-CA 3.45Å; T331-V346 WeakPolarHBondContact O-CG1 3.14Å; T331-C347 PolarHBondContact N-O 3.24Å; T331-C347 PolarHBondContact O-N 2.91Å; T331-C347 PolarHBondContact OG1-O 2.7Å; T331-Y349 HydrophobicContact CG2-CD2 3.89Å; T331-Y349 HydrophobicContact CG2-CE2 3.68Å; T331-Y349 VanDerWaalsContact OG1-CE2 3.24Å; T331-Y349 WeakPolarHBondContact OG1-CE2 3.08Å
332	V	98.6	Very high	88.9	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	128.4	173.8	178.6	0	0	0	0	109.4	L313 R314 D315 F437 I440	L313-V332 WeakPolarHBondContact CD1-O 3.41Å; R314-V332 HydrophobicContact CB-CB 4.18Å; R314-V332 HydrophobicContact CB-CG1 3.88Å; R314-V332 HydrophobicContact CG-CG1 4.32Å; R314-V332 PolarHBondContact N-O 2.9Å; D315-V332 HydrophobicContact CB-CB 4.2Å; D315-V332 HydrophobicContact CB-CG2 4.29Å; D315-V332 PolarHBondContact O-N 2.79Å; V332-F437 HydrophobicContact CG1-CB 3.3Å; V332-F437 HydrophobicContact CG1-CD2 4.27Å; V332-F437 HydrophobicContact CG1-CG 4.32Å; V332-I440 HydrophobicContact CG2-CB 3.56Å; V332-I440 HydrophobicContact CG2-CD1 4.42Å; V332-I440 HydrophobicContact CG2-CG2 3.57Å
333	F	97.8	Very high	88.9	Confident	1 Å²	1	54.7 Å²	54.7	0%	0.004	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	149.2	172.9	-63	-91.8	0	0	0	111.3	L296 C298 F310 E312 L313 T331 S344 A345 C347 Y349	L296-F333 HydrophobicContact CB-CZ 4.13Å; C298-F333 HydrophobicContact CB-CB 4.46Å; C298-F333 HydrophobicContact CB-CD1 4.38Å; C298-F333 HydrophobicContact CB-CD2 3.4Å; C298-F333 HydrophobicContact CB-CE1 4.5Å; C298-F333 HydrophobicContact CB-CE2 3.53Å; C298-F333 HydrophobicContact CB-CG 3.85Å; C298-F333 HydrophobicContact CB-CZ 4.11Å; C298-F333 VanDerWaalsContact SG-CD2 3.6Å; F310-F333 HydrophobicContact CB-CB 3.6Å; F310-F333 HydrophobicContact CB-CG 4.46Å; F310-F333 WeakPolarHBondContact O-CB 3.33Å; F310-F333 WeakPolarHBondContact O-CD1 3.43Å; F310-F333 WeakPolarHBondContact O-CG 3.37Å; E312-F333 WeakPolarHBondContact O-CA 3.47Å; L313-F333 HydrophobicContact CB-CD1 3.96Å; L313-F333 HydrophobicContact CB-CE1 3.83Å; L313-F333 HydrophobicContact CD1-CD1 4.02Å; L313-F333 HydrophobicContact CD1-CD2 4.49Å; L313-F333 HydrophobicContact CD1-CE1 3.61Å; L313-F333 HydrophobicContact CD1-CE2 4.14Å; L313-F333 HydrophobicContact CD1-CG 4.45Å; L313-F333 HydrophobicContact CD1-CZ 3.67Å; L313-F333 HydrophobicContact CG-CE1 4.32Å; T331-F333 HydrophobicContact CG2-CE2 4.46Å; T331-F333 WeakPolarHBondContact OG1-CE2 3.34Å; F333-S344 CarbonylContact O-C 3.53Å; F333-S344 WeakPolarHBondContact O-CA 3.46Å; F333-S344 WeakPolarHBondContact O-CB 3.23Å; F333-A345 PolarHBondContact N-O 2.79Å; F333-A345 PolarHBondContact O-N 3.26Å; F333-C347 HydrophobicContact CD2-CB 4.2Å; F333-C347 HydrophobicContact CE2-CB 3.91Å; F333-Y349 HydrophobicContact CE2-CE2 4.11Å; F333-Y349 WeakPolarHBondContact CE2-OH 3.47Å; F333-Y349 HydrophobicContact CZ-CE2 4.29Å; F333-Y349 VanDerWaalsContact CZ-OH 3.3Å; F333-Y349 WeakPolarHBondContact CZ-OH 3.4Å
334	S	94.9	Very high	89	Confident	6 Å²	6	51.9 Å²	51.9	4%	0.042	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	167.3	161.1	73.2	0	0	0	0	110.8	F310 E312 R314 G343	F310-S334 CarbonylContact C-O 3.55Å; F310-S334 WeakPolarHBondContact CA-O 3.46Å; E312-S334 WeakPolarHBondContact CB-O 3.33Å; E312-S334 VanDerWaalsContact CB-OG 3.24Å; E312-S334 WeakPolarHBondContact CB-OG 3.48Å; E312-S334 PolarHBondContact N-O 3.08Å; E312-S334 PolarHBondContact O-N 2.87Å; R314-S334 PolarHBondContact NE-OG 2.81Å; R314-S334 PolarHBondContact NH2-OG 2.86Å; S334-G343 WeakPolarHBondContact CA-O 3.48Å
335	T	91.3	Very high	89.2	Confident	15 Å²	15	44.6 Å²	44.6	9%	0.092	25%	0.252	C	S	.	.			trans	-66.3	159.9	159.8	51	0	0	0	0	110.9	F310 F341 G343	F310-T335 HydrophobicContact CD1-CG2 3.83Å; F310-T335 HydrophobicContact CE1-CG2 3.93Å; F310-T335 HydrophobicContact CG-CG2 4.49Å; T335-F341 VanDerWaalsContact CB-O 3.3Å; T335-F341 WeakPolarHBondContact CB-O 3.37Å; T335-F341 PolarHBondContact OG1-O 2.94Å; T335-G343 PolarHBondContact N-O 3.46Å; T335-G343 PolarHBondContact OG1-N 2.85Å; T335-G343 VanDerWaalsContact OG1-N 3.12Å
336	S	84.9	Confident	89.4	Confident	30 Å²	30	42.3 Å²	42.3	21%	0.21	24%	0.242	C	C	.	.			trans	-62.9	145.1	175.5	-53.1	0	0	0	0	111.7	S338 S339	S336-S338 PolarHBondContact O-N 2.75Å; S336-S338 VanDerWaalsContact O-N 3.15Å; S336-S339 WeakPolarHBondContact O-CB 3.48Å; S336-S339 PolarHBondContact O-N 2.79Å
337	S	72.8	Confident	89.5	Confident	119 Å²	119	39.6 Å²	39.6	83%	0.832	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.5	-180	53.5	0	0	0	0	114.4
338	S	67.1	Low	89.5	Confident	106 Å²	106	40.3 Å²	40.3	74%	0.741	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-6.6	171.3	51	0	0	0	0	114.3	S336	S336-S338 PolarHBondContact O-N 2.75Å; S336-S338 VanDerWaalsContact O-N 3.15Å
339	S	70.3	Confident	89.5	Confident	49 Å²	49	38.8 Å²	38.8	34%	0.343	22%	0.223	S	C	.	.			trans	-76.6	138.1	177.6	-173.6	0	0	0	0	111.2	S336 F341	S336-S339 WeakPolarHBondContact O-CB 3.48Å; S336-S339 PolarHBondContact O-N 2.79Å; S339-F341 PolarHBondContact O-N 2.84Å; S339-F341 PolarHBondContact OG-N 3.02Å; S339-F341 VanDerWaalsContact OG-N 3.14Å; S339-F341 PolarHBondContact OG-O 3.41Å
340	V	71.1	Confident	89.5	Confident	140 Å²	140	39.8 Å²	39.8	85%	0.848	23%	0.23	S	C	*	.	S	Bend	trans	-64.8	-28.3	169.4	-173.8	0	0	0	0	110.8
341	F	74.9	Confident	89.4	Confident	143 Å²	143	39.4 Å²	39.4	63%	0.627	23%	0.229	S	C	*	.	S	Bend	trans	-92.2	118.2	179.7	-60	-75.2	0	0	0	111.2	T335 S339	T335-F341 VanDerWaalsContact CB-O 3.3Å; T335-F341 WeakPolarHBondContact CB-O 3.37Å; T335-F341 PolarHBondContact OG1-O 2.94Å; S339-F341 PolarHBondContact O-N 2.84Å; S339-F341 PolarHBondContact OG-N 3.02Å; S339-F341 VanDerWaalsContact OG-N 3.14Å; S339-F341 PolarHBondContact OG-O 3.41Å
342	K	83.3	Confident	89.3	Confident	169 Å²	169	44 Å²	44	74%	0.735	25%	0.253	S	S	*	.			trans	-85.2	120.9	166	-67.8	-173.4	-180	-177.3	0	109.9
343	G	91.9	Very high	89.3	Confident	6 Å²	6	45.9 Å²	45.9	6%	0.062	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	163	174.3	0	0	0	0	0	112.1	S334 T335 R430	S334-G343 WeakPolarHBondContact CA-O 3.48Å; T335-G343 PolarHBondContact N-O 3.46Å; T335-G343 PolarHBondContact OG1-N 2.85Å; T335-G343 VanDerWaalsContact OG1-N 3.12Å; G343-R430 CarbonylContact C-O 3.58Å; G343-R430 VanDerWaalsContact CA-O 3.25Å; G343-R430 WeakPolarHBondContact CA-O 3.3Å
344	S	96	Very high	89.3	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.014	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	146.7	169.8	-58.7	0	0	0	0	110.2	F333 R430 S436 F437	F333-S344 CarbonylContact O-C 3.53Å; F333-S344 WeakPolarHBondContact O-CA 3.46Å; F333-S344 WeakPolarHBondContact O-CB 3.23Å; S344-R430 PolarHBondContact N-O 2.82Å; S344-R430 PolarHBondContact O-N 2.73Å; S344-S436 WeakPolarHBondContact OG-CA 3.43Å; S344-F437 VanDerWaalsContact CB-CG 3.41Å; S344-F437 PolarHBondContact OG-N 3.22Å; S344-F437 VanDerWaalsContact OG-N 3.11Å
345	A	96.6	Very high	89.4	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	146.8	-174.8	0	0	0	0	0	110.4	F310 F333 P426 F428 V429	F310-A345 HydrophobicContact CB-CB 4.49Å; F310-A345 HydrophobicContact CD1-CB 3.76Å; F310-A345 HydrophobicContact CD2-CB 4.04Å; F310-A345 HydrophobicContact CE1-CB 3.88Å; F310-A345 HydrophobicContact CE2-CB 4.18Å; F310-A345 HydrophobicContact CG-CB 3.85Å; F310-A345 HydrophobicContact CZ-CB 4.1Å; F333-A345 PolarHBondContact N-O 2.79Å; F333-A345 PolarHBondContact O-N 3.26Å; A345-P426 HydrophobicContact CB-CB 4.09Å; A345-P426 HydrophobicContact CB-CG 4.17Å; A345-F428 CarbonylContact C-O 3.57Å; A345-F428 WeakPolarHBondContact CA-O 3.43Å; A345-V429 HydrophobicContact CB-CG2 4.4Å
346	V	98.2	Very high	89.7	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.4	167.9	-176.7	0	0	0	0	108.4	Y330 T331 P426 V427 F428 F437 I440 M455 I457	Y330-V346 HydrophobicContact CD1-CG1 4.14Å; T331-V346 CarbonylContact O-C 3.36Å; T331-V346 VanDerWaalsContact O-CA 3.26Å; T331-V346 WeakPolarHBondContact O-CA 3.45Å; T331-V346 WeakPolarHBondContact O-CG1 3.14Å; V346-P426 CarbonylContact O-C 3.58Å; V346-P426 WeakPolarHBondContact O-CA 3.49Å; V346-P426 VanDerWaalsContact O-CB 3.24Å; V346-P426 WeakPolarHBondContact O-CB 3.44Å; V346-V427 HydrophobicContact CB-CG2 4.05Å; V346-V427 HydrophobicContact CG1-CG2 3.76Å; V346-V427 WeakPolarHBondContact O-CG2 3.48Å; V346-V427 PolarHBondContact O-N 3.08Å; V346-F428 HydrophobicContact CB-CB 4.16Å; V346-F428 HydrophobicContact CG2-CB 4.24Å; V346-F428 HydrophobicContact CG2-CD1 4.38Å; V346-F428 PolarHBondContact N-O 2.82Å; V346-F437 HydrophobicContact CG2-CD2 4.19Å; V346-F437 HydrophobicContact CG2-CE2 4.15Å; V346-I440 HydrophobicContact CG1-CD1 3.61Å; V346-I440 HydrophobicContact CG2-CD1 4.17Å; V346-M455 HydrophobicContact CG1-SD 3.9Å; V346-I457 HydrophobicContact CG2-CD1 3.65Å; V346-I457 HydrophobicContact CG2-CG1 4.34Å
347	C	97.9	Very high	90.3	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	150.1	174.9	-88.8	0	0	0	0	111	C298 T331 F333 Y349 P421	C298-C347 VanDerWaalsContact CA-SG 3.51Å; C298-C347 HydrophobicContact CB-CB 3.86Å; C298-C347 WeakPolarHBondContact CB-SG 3.46Å; C298-C347 WeakPolarHBondContact SG-CB 3.4Å; C298-C347 CovalentContact SG-SG 2.04Å; C298-C347 PolarHBondContact SG-SG 3.26Å; T331-C347 PolarHBondContact N-O 3.24Å; T331-C347 PolarHBondContact O-N 2.91Å; T331-C347 PolarHBondContact OG1-O 2.7Å; F333-C347 HydrophobicContact CD2-CB 4.2Å; F333-C347 HydrophobicContact CE2-CB 3.91Å; C347-Y349 HydrophobicContact CB-CE2 4.06Å; C347-P421 HydrophobicContact CB-CB 4.11Å
348	L	97.7	Very high	91.6	Very high	17 Å²	17	46.9 Å²	46.9	9%	0.089	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126	-176.3	177	59	0	0	0	109.4	L328 Y330 P421 M422 V427	L328-L348 HydrophobicContact CB-CD1 3.96Å; Y330-L348 HydrophobicContact CD1-CD1 4.1Å; Y330-L348 HydrophobicContact CD2-CD1 3.67Å; Y330-L348 HydrophobicContact CE1-CD1 3.93Å; Y330-L348 HydrophobicContact CE1-CD2 4.34Å; Y330-L348 HydrophobicContact CE1-CG 4.5Å; Y330-L348 HydrophobicContact CE2-CD1 3.46Å; Y330-L348 VanDerWaalsContact CE2-CD1 3.46Å; Y330-L348 HydrophobicContact CG-CD1 3.98Å; L348-P421 CarbonylContact O-C 3.6Å; L348-P421 VanDerWaalsContact O-CA 3.3Å; L348-P421 WeakPolarHBondContact O-CA 3.38Å; L348-P421 WeakPolarHBondContact O-CB 3.25Å; L348-M422 HydrophobicContact CD2-SD 3.95Å; L348-M422 HydrophobicContact CG-CG 4.47Å; L348-M422 HydrophobicContact CG-SD 3.84Å; L348-M422 PolarHBondContact O-N 3.31Å; L348-V427 HydrophobicContact CB-CG1 3.79Å; L348-V427 HydrophobicContact CB-CG2 4.44Å; L348-V427 HydrophobicContact CD2-CG1 4.21Å
349	Y	98.4	Very high	93	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	149.1	-179.6	-51.9	-86	0	0	0	111.9	L296 I297 V329 T331 F333 C347 V419 Y420 P421	L296-Y349 HydrophobicContact CD2-CD1 4.34Å; L296-Y349 HydrophobicContact CD2-CD2 4.23Å; L296-Y349 HydrophobicContact CD2-CE1 4.07Å; L296-Y349 HydrophobicContact CD2-CE2 3.95Å; L296-Y349 HydrophobicContact CD2-CG 4.41Å; I297-Y349 PolarHBondContact O-OH 3.32Å; V329-Y349 PolarHBondContact N-O 2.87Å; V329-Y349 PolarHBondContact O-N 2.8Å; T331-Y349 HydrophobicContact CG2-CD2 3.89Å; T331-Y349 HydrophobicContact CG2-CE2 3.68Å; T331-Y349 VanDerWaalsContact OG1-CE2 3.24Å; T331-Y349 WeakPolarHBondContact OG1-CE2 3.08Å; F333-Y349 HydrophobicContact CE2-CE2 4.11Å; F333-Y349 WeakPolarHBondContact CE2-OH 3.47Å; F333-Y349 HydrophobicContact CZ-CE2 4.29Å; F333-Y349 VanDerWaalsContact CZ-OH 3.3Å; F333-Y349 WeakPolarHBondContact CZ-OH 3.4Å; C347-Y349 HydrophobicContact CB-CE2 4.06Å; Y349-V419 HydrophobicContact CD1-CG1 3.62Å; Y349-V419 HydrophobicContact CE1-CG1 4.14Å; Y349-V419 HydrophobicContact CG-CG1 4.32Å; Y349-Y420 WeakPolarHBondContact CD1-O 3.45Å; Y349-P421 HydrophobicContact CD1-CB 4.1Å; Y349-P421 HydrophobicContact CE1-CB 3.86Å
350	S	97.8	Very high	94.2	Very high	20 Å²	20	45.5 Å²	45.5	14%	0.14	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	147.5	171.7	93.1	0	0	0	0	111.4	N352 D353 I354	S350-N352 PolarHBondContact O-N 2.83Å; S350-N352 PolarHBondContact OG-N 2.86Å; S350-D353 WeakPolarHBondContact CB-OD2 3.23Å; S350-D353 PolarHBondContact O-N 3.38Å; S350-D353 PolarHBondContact OG-N 2.73Å; S350-D353 PolarHBondContact OG-OD2 2.77Å; S350-I354 WeakPolarHBondContact O-CG1 3.29Å; S350-I354 PolarHBondContact O-N 2.75Å; S350-I354 VanDerWaalsContact O-N 3.16Å
351	M	97.6	Very high	95.5	Very high	4 Å²	4	41 Å²	41	2%	0.02	20%	0.199	C	C	.	.	H	α-helix	trans	-63.3	-23.6	173.1	-68.9	-54.9	-60.9	0	0	113.1	V237 F249 P327 V329 I354 R355	V237-M351 HydrophobicContact CG1-CE 4.39Å; F249-M351 HydrophobicContact CD2-CE 4.19Å; F249-M351 HydrophobicContact CE1-CE 4.3Å; F249-M351 HydrophobicContact CE2-CE 3.55Å; F249-M351 HydrophobicContact CZ-CE 3.6Å; P327-M351 HydrophobicContact CG-CG 3.98Å; P327-M351 HydrophobicContact CG-SD 4.45Å; P327-M351 WeakPolarHBondContact O-CG 3.36Å; V329-M351 HydrophobicContact CG2-SD 4.03Å; M351-I354 HydrophobicContact CE-CG2 4.23Å; M351-I354 HydrophobicContact SD-CD1 3.75Å; M351-R355 WeakPolarHBondContact O-CB 3.5Å; M351-R355 VanDerWaalsContact O-CG 3.25Å; M351-R355 WeakPolarHBondContact O-CG 3.41Å; M351-R355 PolarHBondContact O-N 2.74Å
352	N	97	Very high	96.6	Very high	96 Å²	96	34.3 Å²	34.3	51%	0.513	17%	0.17	S	C	.	.	H	α-helix	trans	-65.6	-44.4	174.4	-178.6	11.6	0	0	0	111.4	S350 R355 R356	S350-N352 PolarHBondContact O-N 2.83Å; S350-N352 PolarHBondContact OG-N 2.86Å; N352-R355 PolarHBondContact O-N 2.91Å; N352-R356 PolarHBondContact ND2-NH2 3.43Å; N352-R356 WeakPolarHBondContact O-CB 3.41Å; N352-R356 PolarHBondContact O-N 2.76Å; N352-R356 PolarHBondContact OD1-NH2 3.38Å
353	D	97.7	Very high	97.1	Very high	41 Å²	41	26.6 Å²	26.6	22%	0.219	14%	0.137	C	C	.	.	H	α-helix	trans	-71.2	-36.6	178.6	-56.2	-58.1	0	0	0	111.7	S350 R356 A357	S350-D353 WeakPolarHBondContact CB-OD2 3.23Å; S350-D353 PolarHBondContact O-N 3.38Å; S350-D353 PolarHBondContact OG-N 2.73Å; S350-D353 PolarHBondContact OG-OD2 2.77Å; D353-R356 PolarHBondContact O-N 3.22Å; D353-R356 IonicContact OD1-CZ 3.54Å; D353-R356 IonicContact OD1-NH1 2.73Å; D353-R356 PolarHBondContact OD1-NH1 3.38Å; D353-R356 IonicContact OD1-NH2 3.5Å; D353-R356 PolarHBondContact OD1-NH2 3.37Å; D353-A357 PolarHBondContact O-N 3.49Å
354	I	98.4	Very high	97	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.6	-50.3	171.6	-70	165.6	0	0	0	111.1	F249 I270 V329 S350 M351 R356 A357 F358 V419	F249-I354 HydrophobicContact CE1-CG2 4.02Å; I270-I354 HydrophobicContact CD1-CD1 3.97Å; I270-I354 HydrophobicContact CD1-CG1 4.28Å; I270-I354 HydrophobicContact CD1-CG2 3.8Å; V329-I354 HydrophobicContact CG2-CD1 3.98Å; S350-I354 WeakPolarHBondContact O-CG1 3.29Å; S350-I354 PolarHBondContact O-N 2.75Å; S350-I354 VanDerWaalsContact O-N 3.16Å; M351-I354 HydrophobicContact CE-CG2 4.23Å; M351-I354 HydrophobicContact SD-CD1 3.75Å; I354-R356 VanDerWaalsContact C-N 3.33Å; I354-R356 PolarHBondContact O-N 2.77Å; I354-A357 PolarHBondContact O-N 2.68Å; I354-F358 HydrophobicContact CG2-CD2 3.95Å; I354-F358 HydrophobicContact CG2-CE2 3.78Å; I354-F358 VanDerWaalsContact O-CD2 3.32Å; I354-F358 WeakPolarHBondContact O-CD2 3.28Å; I354-F358 PolarHBondContact O-N 2.88Å; I354-V419 HydrophobicContact CG1-CG1 3.84Å; I354-V419 HydrophobicContact CG1-CG2 4.27Å
355	R	97.3	Very high	96.3	Very high	48 Å²	48	31.5 Å²	31.5	18%	0.181	16%	0.157	C	C	.	.	H	α-helix	trans	-60.3	-41.6	175.3	-74.1	174.2	-171.3	117.5	7.3	111.7	E239 K325 N326 M351 N352 A357 F358 L359	E239-R355 VanDerWaalsContact CD-NE 3.33Å; E239-R355 IonicContact OE1-CZ 2.8Å; E239-R355 IonicContact OE1-NE 2.75Å; E239-R355 PolarHBondContact OE1-NE 3.21Å; E239-R355 IonicContact OE1-NH2 2.94Å; E239-R355 PolarHBondContact OE1-NH2 2.85Å; E239-R355 IonicContact OE2-CZ 3.23Å; E239-R355 IonicContact OE2-NE 2.74Å; E239-R355 PolarHBondContact OE2-NE 2.98Å; E239-R355 IonicContact OE2-NH2 3.36Å; K325-R355 PolarHBondContact O-NH1 3.03Å; K325-R355 PolarHBondContact O-NH2 3.46Å; N326-R355 PolarHBondContact OD1-NH1 3.31Å; M351-R355 WeakPolarHBondContact O-CB 3.5Å; M351-R355 VanDerWaalsContact O-CG 3.25Å; M351-R355 WeakPolarHBondContact O-CG 3.41Å; M351-R355 PolarHBondContact O-N 2.74Å; N352-R355 PolarHBondContact O-N 2.91Å; R355-A357 VanDerWaalsContact C-N 3.28Å; R355-A357 PolarHBondContact O-N 3.26Å; R355-F358 PolarHBondContact O-N 3.14Å; R355-L359 WeakPolarHBondContact O-CB 3.28Å; R355-L359 VanDerWaalsContact O-CG 3.31Å; R355-L359 WeakPolarHBondContact O-CG 3.33Å; R355-L359 PolarHBondContact O-N 3.46Å
356	R	97.6	Very high	95	Very high	129 Å²	129	38.1 Å²	38.1	49%	0.487	19%	0.188	S	C	.	.	H	α-helix	trans	-62.4	-33	178.2	-158.7	-176.2	-48.9	114.1	19.3	112.8	N352 D353 I354 G360	N352-R356 PolarHBondContact ND2-NH2 3.43Å; N352-R356 WeakPolarHBondContact O-CB 3.41Å; N352-R356 PolarHBondContact O-N 2.76Å; N352-R356 PolarHBondContact OD1-NH2 3.38Å; D353-R356 PolarHBondContact O-N 3.22Å; D353-R356 IonicContact OD1-CZ 3.54Å; D353-R356 IonicContact OD1-NH1 2.73Å; D353-R356 PolarHBondContact OD1-NH1 3.38Å; D353-R356 IonicContact OD1-NH2 3.5Å; D353-R356 PolarHBondContact OD1-NH2 3.37Å; I354-R356 VanDerWaalsContact C-N 3.33Å; I354-R356 PolarHBondContact O-N 2.77Å; R356-G360 PolarHBondContact O-N 2.95Å
357	A	98.1	Very high	93.4	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.033	21%	0.21	C	C	.	.	H	α-helix	trans	-69.9	-45.9	173.6	0	0	0	0	0	112.3	T294 D353 I354 R355 L359 G360 V419	T294-A357 HydrophobicContact CG2-CB 4.11Å; D353-A357 PolarHBondContact O-N 3.49Å; I354-A357 PolarHBondContact O-N 2.68Å; R355-A357 VanDerWaalsContact C-N 3.28Å; R355-A357 PolarHBondContact O-N 3.26Å; A357-L359 VanDerWaalsContact C-N 3.27Å; A357-L359 PolarHBondContact O-N 3.47Å; A357-G360 PolarHBondContact O-N 2.79Å; A357-V419 HydrophobicContact CB-CG2 3.42Å; A357-V419 VanDerWaalsContact CB-CG2 3.42Å
358	F	98.1	Very high	91.7	Very high	11 Å²	11	46.1 Å²	46.1	5%	0.048	25%	0.248	C	C	.	.	H	α-helix	trans	-68.6	-23.1	175.4	-69.9	-59.7	0	0	0	113.9	F249 I270 Q272 L292 T294 I354 R355 R383 M415	F249-F358 HydrophobicContact CD1-CE2 4.3Å; F249-F358 HydrophobicContact CE1-CD2 4.33Å; F249-F358 AromaticContact CE1-CE2 3.88Å; F249-F358 HydrophobicContact CE1-CE2 3.88Å; I270-F358 HydrophobicContact CG2-CE2 4.24Å; I270-F358 HydrophobicContact CG2-CZ 4.07Å; I270-F358 WeakPolarHBondContact O-CZ 3.48Å; Q272-F358 HydrophobicContact CB-CE1 4.4Å; Q272-F358 HydrophobicContact CB-CE2 4.11Å; Q272-F358 HydrophobicContact CB-CZ 4.04Å; Q272-F358 HydrophobicContact CG-CD1 3.82Å; Q272-F358 HydrophobicContact CG-CD2 4.24Å; Q272-F358 HydrophobicContact CG-CE1 3.71Å; Q272-F358 HydrophobicContact CG-CE2 4.12Å; Q272-F358 HydrophobicContact CG-CG 4.09Å; Q272-F358 HydrophobicContact CG-CZ 3.86Å; L292-F358 HydrophobicContact CB-CD1 3.92Å; L292-F358 HydrophobicContact CB-CE1 3.99Å; L292-F358 HydrophobicContact CD1-CD1 4.49Å; T294-F358 HydrophobicContact CG2-CE1 4.05Å; T294-F358 HydrophobicContact CG2-CE2 4.44Å; T294-F358 HydrophobicContact CG2-CZ 3.97Å; I354-F358 HydrophobicContact CG2-CD2 3.95Å; I354-F358 HydrophobicContact CG2-CE2 3.78Å; I354-F358 VanDerWaalsContact O-CD2 3.32Å; I354-F358 WeakPolarHBondContact O-CD2 3.28Å; I354-F358 PolarHBondContact O-N 2.88Å; R355-F358 PolarHBondContact O-N 3.14Å; F358-R383 PolarHBondContact O-NH2 3.47Å; F358-M415 HydrophobicContact CD1-CG 3.79Å; F358-M415 HydrophobicContact CE1-CG 4.28Å; F358-M415 WeakPolarHBondContact O-CE 3.45Å
359	L	96.5	Very high	90.3	Very high	115 Å²	115	50.9 Å²	50.9	60%	0.602	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-5.9	169.1	-65.5	173.6	0	0	0	113.6	R355 A357 R383	R355-L359 WeakPolarHBondContact O-CB 3.28Å; R355-L359 VanDerWaalsContact O-CG 3.31Å; R355-L359 WeakPolarHBondContact O-CG 3.33Å; R355-L359 PolarHBondContact O-N 3.46Å; A357-L359 VanDerWaalsContact C-N 3.27Å; A357-L359 PolarHBondContact O-N 3.47Å; L359-R383 PolarHBondContact O-NH1 3Å; L359-R383 PolarHBondContact O-NH2 3.22Å
360	G	96.9	Very high	89.2	Confident	11 Å²	11	59 Å²	59	11%	0.113	31%	0.305	C	S	.	.	S	Bend	trans	-72.8	-176.5	175.1	0	0	0	0	0	114.2	R356 A357 R383 M415	R356-G360 PolarHBondContact O-N 2.95Å; A357-G360 PolarHBondContact O-N 2.79Å; G360-R383 PolarHBondContact O-NH2 2.91Å; G360-M415 WeakPolarHBondContact O-CE 3.44Å
361	P	97.3	Very high	88.6	Confident	46 Å²	46	63.9 Å²	63.9	30%	0.299	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-67.8	147.3	174.7	26.7	-32.1	0	0	0	112.1	P374 Y416	P361-P374 HydrophobicContact CB-CB 3.96Å; P361-P374 HydrophobicContact CG-CB 3.96Å; P361-Y416 HydrophobicContact CG-CD1 4.46Å; P361-Y416 WeakPolarHBondContact O-CB 3.04Å; P361-Y416 PolarHBondContact O-N 2.89Å
362	F	97.7	Very high	88.1	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.009	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-70.5	147.7	171.1	-61.2	-85.9	0	0	0	110.7	L292 F375 V379 P384 F408 H412 M415	L292-F362 HydrophobicContact CD1-CE1 4.06Å; L292-F362 HydrophobicContact CD2-CD1 4.27Å; L292-F362 HydrophobicContact CD2-CE1 3.72Å; F362-F375 HydrophobicContact CB-CB 4.24Å; F362-F375 WeakPolarHBondContact O-CB 3.35Å; F362-F375 PolarHBondContact O-N 3.18Å; F362-V379 HydrophobicContact CD2-CG2 4.07Å; F362-V379 HydrophobicContact CE2-CG1 3.81Å; F362-V379 HydrophobicContact CE2-CG2 4.02Å; F362-P384 HydrophobicContact CE1-CB 4.3Å; F362-P384 HydrophobicContact CZ-CB 4.01Å; F362-P384 HydrophobicContact CZ-CG 4.49Å; F362-F408 HydrophobicContact CB-CE1 4.42Å; F362-F408 HydrophobicContact CB-CZ 4.49Å; F362-F408 HydrophobicContact CD1-CE1 4.08Å; F362-F408 AromaticContact CD2-CE1 3.65Å; F362-F408 HydrophobicContact CD2-CE1 3.65Å; F362-F408 AromaticContact CD2-CZ 3.84Å; F362-F408 HydrophobicContact CD2-CZ 3.84Å; F362-F408 HydrophobicContact CE1-CE1 4.25Å; F362-F408 AromaticContact CE2-CE1 3.85Å; F362-F408 HydrophobicContact CE2-CE1 3.85Å; F362-F408 HydrophobicContact CE2-CZ 4.31Å; F362-F408 AromaticContact CG-CE1 3.78Å; F362-F408 HydrophobicContact CG-CE1 3.78Å; F362-F408 HydrophobicContact CG-CZ 4.16Å; F362-F408 HydrophobicContact CZ-CE1 4.15Å; F362-H412 HydrophobicContact CB-CB 4.22Å; F362-H412 HydrophobicContact CD1-CB 4.14Å; F362-H412 WeakPolarHBondContact CD1-O 3.21Å; F362-H412 HydrophobicContact CG-CB 4.34Å; F362-M415 HydrophobicContact CD1-CE 3.83Å; F362-M415 HydrophobicContact CD1-SD 3.63Å; F362-M415 HydrophobicContact CE1-CE 3.96Å; F362-M415 HydrophobicContact CE1-SD 3.76Å; F362-M415 HydrophobicContact CG-CE 4.19Å; F362-M415 HydrophobicContact CG-SD 4.49Å; F362-M415 HydrophobicContact CZ-CE 4.43Å
363	A	94.9	Very high	87.8	Confident	6 Å²	6	64.5 Å²	64.5	5%	0.05	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	136.6	170.2	0	0	0	0	0	109.6	W372 L414	A363-W372 HydrophobicContact CB-CE3 3.91Å; A363-W372 HydrophobicContact CB-CZ3 4.12Å; A363-L414 HydrophobicContact CB-CB 4.12Å; A363-L414 HydrophobicContact CB-CD2 3.9Å; A363-L414 HydrophobicContact CB-CG 3.74Å; A363-L414 WeakPolarHBondContact CB-O 3.17Å; A363-L414 PolarHBondContact N-O 2.8Å
364	H	88.6	Confident	87.6	Confident	25 Å²	25	64.3 Å²	64.3	12%	0.116	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	156.2	-172.8	177.8	82.5	0	0	0	110.7	E366 W372 V373 F375 H412	H364-E366 IonicContact CE1-OE1 3.67Å; H364-E366 PolarHBondContact CE1-OE1 3.38Å; H364-E366 VanDerWaalsContact CE1-OE1 3.22Å; H364-E366 IonicContact CE1-OE2 3.77Å; H364-E366 VanDerWaalsContact NE2-CB 3.33Å; H364-E366 WeakPolarHBondContact NE2-CB 3.41Å; H364-E366 VanDerWaalsContact NE2-CG 3.34Å; H364-E366 WeakPolarHBondContact NE2-CG 3.33Å; H364-E366 IonicContact NE2-OE1 2.74Å; H364-E366 IonicContact NE2-OE2 3.35Å; H364-W372 WeakPolarHBondContact O-CA 3.39Å; H364-V373 PolarHBondContact N-O 3.16Å; H364-V373 PolarHBondContact O-N 3.32Å; H364-F375 HydrophobicContact CB-CB 3.96Å; H364-F375 HydrophobicContact CB-CD2 4.01Å; H364-F375 HydrophobicContact CB-CG 4.47Å; H364-F375 AromaticContact CD2-CD2 3.98Å; H364-F375 AromaticContact CG-CD2 3.7Å; H364-F375 AromaticContact ND1-CD2 3.76Å; H364-H412 AromaticContact CE1-NE2 3.7Å; H364-H412 AromaticContact CG-NE2 3.94Å; H364-H412 AromaticContact ND1-CD2 3.64Å; H364-H412 AromaticContact ND1-NE2 2.91Å; H364-H412 PolarHBondContact ND1-NE2 3.01Å
365	K	83	Confident	87.4	Confident	86 Å²	86	66.2 Å²	66.2	37%	0.374	34%	0.336	S	S	.	.			trans	-139.6	64.3	-170.7	-164.2	-162.4	-178.8	-178.7	0	111.9	Y370 W372	K365-Y370 WeakPolarHBondContact CE-O 3.21Å; K365-W372 HydrophobicContact CB-CD2 3.91Å; K365-W372 HydrophobicContact CB-CE3 4.06Å; K365-W372 HydrophobicContact CB-CG 4.4Å; K365-W372 HydrophobicContact CB-CZ2 4.36Å; K365-W372 HydrophobicContact CB-CZ3 4.36Å; K365-W372 HydrophobicContact CD-CZ2 4.28Å; K365-W372 HydrophobicContact CG-CD2 4.26Å; K365-W372 HydrophobicContact CG-CG 4.35Å
366	E	69.3	Low	87.1	Confident	140 Å²	140	71.8 Å²	71.8	65%	0.654	36%	0.364	S	S	*	.			trans	-128	164.6	168.6	-62.2	176.2	-162	0	0	110.1	H364	H364-E366 IonicContact CE1-OE1 3.67Å; H364-E366 PolarHBondContact CE1-OE1 3.38Å; H364-E366 VanDerWaalsContact CE1-OE1 3.22Å; H364-E366 IonicContact CE1-OE2 3.77Å; H364-E366 VanDerWaalsContact NE2-CB 3.33Å; H364-E366 WeakPolarHBondContact NE2-CB 3.41Å; H364-E366 VanDerWaalsContact NE2-CG 3.34Å; H364-E366 WeakPolarHBondContact NE2-CG 3.33Å; H364-E366 IonicContact NE2-OE1 2.74Å; H364-E366 IonicContact NE2-OE2 3.35Å
367	G	65	Low	86.7	Confident	44 Å²	44	67.5 Å²	67.5	45%	0.454	36%	0.361	S	S	.	.	S	Bend	trans	105.9	160.7	-171.7	0	0	0	0	0	112.9	N369 Y370	G367-N369 PolarHBondContact O-N 3.05Å; G367-N369 VanDerWaalsContact O-N 3.1Å; G367-Y370 PolarHBondContact O-N 3.04Å
368	P	60.5	Low	86.5	Confident	124 Å²	124	76.8 Å²	76.8	81%	0.805	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-25.4	-164.8	23.8	-34.9	0	0	0	114.5
369	N	69.9	Low	86.5	Confident	116 Å²	116	78.8 Å²	78.8	62%	0.62	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-6.8	-178.5	-62.3	-2.7	0	0	0	113.4	G367 Q371	G367-N369 PolarHBondContact O-N 3.05Å; G367-N369 VanDerWaalsContact O-N 3.1Å; N369-Q371 HydrophobicContact CB-CG 4.1Å; N369-Q371 PolarHBondContact O-N 3.34Å
370	Y	75	Confident	86.5	Confident	170 Å²	170	74 Å²	74	67%	0.667	39%	0.389	S	S	*	.			trans	50.4	27.8	-174.9	-68.2	-87	0	0	0	115	K365 G367	K365-Y370 WeakPolarHBondContact CE-O 3.21Å; G367-Y370 PolarHBondContact O-N 3.04Å
371	Q	83.8	Confident	86.3	Confident	124 Å²	124	80.2 Å²	80.2	58%	0.579	41%	0.41	S	S	*	.			trans	-85.6	158.1	177.8	-73.3	171.8	-11.1	0	0	111.4	N369	N369-Q371 HydrophobicContact CB-CG 4.1Å; N369-Q371 PolarHBondContact O-N 3.34Å
372	W	87.4	Confident	86.2	Confident	56 Å²	56	78.3 Å²	78.3	21%	0.212	40%	0.397	C	S	.	.			trans	-85.6	124.5	174.9	-74.6	89.1	0	0	0	110.9	V257 E258 A363 H364 K365 L414	V257-W372 HydrophobicContact CB-CZ2 4.1Å; V257-W372 HydrophobicContact CG2-CH2 4.09Å; V257-W372 HydrophobicContact CG2-CZ2 3.7Å; V257-W372 PolarHBondContact O-NE1 3.23Å; E258-W372 VanDerWaalsContact CA-CD1 3.47Å; E258-W372 HydrophobicContact CB-CB 4.31Å; E258-W372 HydrophobicContact CB-CD2 4.33Å; E258-W372 HydrophobicContact CB-CG 3.95Å; A363-W372 HydrophobicContact CB-CE3 3.91Å; A363-W372 HydrophobicContact CB-CZ3 4.12Å; H364-W372 WeakPolarHBondContact O-CA 3.39Å; K365-W372 HydrophobicContact CB-CD2 3.91Å; K365-W372 HydrophobicContact CB-CE3 4.06Å; K365-W372 HydrophobicContact CB-CG 4.4Å; K365-W372 HydrophobicContact CB-CZ2 4.36Å; K365-W372 HydrophobicContact CB-CZ3 4.36Å; K365-W372 HydrophobicContact CD-CZ2 4.28Å; K365-W372 HydrophobicContact CG-CD2 4.26Å; K365-W372 HydrophobicContact CG-CG 4.35Å; W372-L414 HydrophobicContact CE3-CD2 4.4Å; W372-L414 HydrophobicContact CH2-CD2 4.36Å; W372-L414 HydrophobicContact CZ3-CD2 4.09Å
373	V	91.1	Very high	86.1	Confident	57 Å²	57	81.2 Å²	81.2	35%	0.345	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	159.2	-170.5	-68.9	0	0	0	0	111	H364 F375	H364-V373 PolarHBondContact N-O 3.16Å; H364-V373 PolarHBondContact O-N 3.32Å; V373-F375 PolarHBondContact O-N 3.23Å
374	P	94.1	Very high	86.2	Confident	37 Å²	37	81.1 Å²	81.1	24%	0.24	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	127.2	172.3	27.4	-29.7	0	0	0	109.6	P361 Q376 Y416	P361-P374 HydrophobicContact CB-CB 3.96Å; P361-P374 HydrophobicContact CG-CB 3.96Å; P374-Q376 PolarHBondContact O-N 2.58Å; P374-Q376 PolarHBondContact O-NE2 3.32Å; P374-Y416 HydrophobicContact CB-CD1 3.74Å; P374-Y416 HydrophobicContact CB-CD2 4.21Å; P374-Y416 HydrophobicContact CB-CE1 4.1Å; P374-Y416 HydrophobicContact CB-CG 3.8Å; P374-Y416 HydrophobicContact CG-CD1 4.22Å; P374-Y416 HydrophobicContact CG-CE1 4.06Å; P374-Y416 HydrophobicContact CG-CE2 4.47Å; P374-Y416 HydrophobicContact CG-CG 4.49Å
375	F	93.6	Very high	86.4	Confident	40 Å²	40	80.3 Å²	80.3	18%	0.175	41%	0.406	C	S	.	.			trans	-60	120.7	180	-176.6	-103.8	0	0	0	111.9	F362 H364 V373 G377 V379 F408	F362-F375 HydrophobicContact CB-CB 4.24Å; F362-F375 WeakPolarHBondContact O-CB 3.35Å; F362-F375 PolarHBondContact O-N 3.18Å; H364-F375 HydrophobicContact CB-CB 3.96Å; H364-F375 HydrophobicContact CB-CD2 4.01Å; H364-F375 HydrophobicContact CB-CG 4.47Å; H364-F375 AromaticContact CD2-CD2 3.98Å; H364-F375 AromaticContact CG-CD2 3.7Å; H364-F375 AromaticContact ND1-CD2 3.76Å; V373-F375 PolarHBondContact O-N 3.23Å; F375-G377 VanDerWaalsContact CE1-CA 3.42Å; F375-G377 WeakPolarHBondContact CE1-O 3.25Å; F375-G377 VanDerWaalsContact CZ-CA 3.49Å; F375-V379 HydrophobicContact CD1-CG2 4.09Å; F375-V379 HydrophobicContact CE1-CG2 4.2Å; F375-F408 HydrophobicContact CD1-CE2 4.05Å; F375-F408 AromaticContact CD1-CZ 3.88Å; F375-F408 HydrophobicContact CD1-CZ 3.88Å; F375-F408 AromaticContact CE1-CE2 3.5Å; F375-F408 HydrophobicContact CE1-CE2 3.5Å; F375-F408 VanDerWaalsContact CE1-CE2 3.5Å; F375-F408 AromaticContact CE1-CZ 3.82Å; F375-F408 HydrophobicContact CE1-CZ 3.82Å; F375-F408 HydrophobicContact CE2-CE2 4.3Å; F375-F408 HydrophobicContact CG-CZ 4.37Å; F375-F408 AromaticContact CZ-CE2 3.64Å; F375-F408 HydrophobicContact CZ-CE2 3.64Å; F375-F408 HydrophobicContact CZ-CZ 4.28Å
376	Q	90.3	Very high	86.9	Confident	164 Å²	164	79.9 Å²	79.9	77%	0.766	41%	0.406	S	S	*	.			trans	-99.3	-6.3	-179.7	-58.2	-54.9	-63.2	0	0	113.9	P374	P374-Q376 PolarHBondContact O-N 2.58Å; P374-Q376 PolarHBondContact O-NE2 3.32Å
377	G	90.4	Very high	88.1	Confident	40 Å²	40	73.8 Å²	73.8	41%	0.412	38%	0.378	S	S	.	.	S	Bend	trans	-75.8	176.5	-178.7	0	0	0	0	0	113.4	F375 V379	F375-G377 VanDerWaalsContact CE1-CA 3.42Å; F375-G377 WeakPolarHBondContact CE1-O 3.25Å; F375-G377 VanDerWaalsContact CZ-CA 3.49Å; G377-V379 PolarHBondContact O-N 2.88Å
378	K	94.1	Very high	89.4	Confident	198 Å²	198	71.8 Å²	71.8	86%	0.861	36%	0.358	S	S	*	.			trans	-68.3	114.9	174.1	-175.5	-177.5	177.5	-173	0	110.3
379	V	96.6	Very high	90.7	Very high	54 Å²	54	66 Å²	66	33%	0.327	32%	0.32	S	S	.	.			trans	-72.9	134.4	167.6	178.5	0	0	0	0	108.8	F362 F375 G377 R383 F408	F362-V379 HydrophobicContact CD2-CG2 4.07Å; F362-V379 HydrophobicContact CE2-CG1 3.81Å; F362-V379 HydrophobicContact CE2-CG2 4.02Å; F375-V379 HydrophobicContact CD1-CG2 4.09Å; F375-V379 HydrophobicContact CE1-CG2 4.2Å; G377-V379 PolarHBondContact O-N 2.88Å; V379-R383 HydrophobicContact CG1-CG 4.36Å; V379-F408 HydrophobicContact CG2-CZ 4.36Å
380	P	96.6	Very high	90.8	Very high	13 Å²	13	67.4 Å²	67.4	8%	0.084	32%	0.321	C	S	.	.			trans	-76.9	169.2	-179.1	33.8	-38	0	0	0	112.7	P384 D404 V405 F408	P380-P384 HydrophobicContact CG-CG 4.2Å; P380-D404 VanDerWaalsContact CB-OD2 3.26Å; P380-D404 WeakPolarHBondContact CB-OD2 3.43Å; P380-V405 HydrophobicContact CB-CG2 3.74Å; P380-V405 HydrophobicContact CG-CB 4.47Å; P380-V405 HydrophobicContact CG-CG2 4.01Å; P380-F408 HydrophobicContact CG-CB 3.75Å; P380-F408 HydrophobicContact CG-CD2 4.16Å; P380-F408 HydrophobicContact CG-CG 3.97Å
381	Y	93.8	Very high	90.5	Very high	143 Å²	143	63 Å²	63	56%	0.561	31%	0.311	S	S	*	.	S	Bend	trans	-122.1	134.7	-178.5	-178.1	-86.9	0	0	0	111.4	F395 V405	Y381-F395 HydrophobicContact CE1-CE2 4.35Å; Y381-V405 WeakPolarHBondContact O-CG2 3.28Å
382	P	94.1	Very high	89.7	Confident	5 Å²	5	64.7 Å²	64.7	3%	0.032	32%	0.317	C	S	.	.	S	Bend	cis	-67.3	153.6	0.2	29.1	-34.9	0	0	0	111.6	P384 M386 F395 F401 V405	P382-P384 WeakPolarHBondContact O-CD 3.45Å; P382-M386 HydrophobicContact CB-SD 4.4Å; P382-F395 HydrophobicContact CB-CD2 4.43Å; P382-F395 HydrophobicContact CB-CE2 4.38Å; P382-F395 VanDerWaalsContact CD-CE2 3.46Å; P382-F395 HydrophobicContact CG-CD2 3.84Å; P382-F395 HydrophobicContact CG-CE2 3.78Å; P382-F401 HydrophobicContact CG-CD1 3.68Å; P382-F401 HydrophobicContact CG-CE1 3.71Å; P382-F401 HydrophobicContact CG-CG 4.18Å; P382-F401 HydrophobicContact CG-CZ 4.22Å; P382-V405 VanDerWaalsContact O-CG1 3.31Å; P382-V405 WeakPolarHBondContact O-CG1 3.35Å
383	R	95.4	Very high	88.7	Confident	64 Å²	64	63.3 Å²	63.3	24%	0.242	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-61.3	127.9	-174.3	178	-178.8	166.2	136.3	6.8	110	F358 L359 G360 V379 G385 M386	F358-R383 PolarHBondContact O-NH2 3.47Å; L359-R383 PolarHBondContact O-NH1 3Å; L359-R383 PolarHBondContact O-NH2 3.22Å; G360-R383 PolarHBondContact O-NH2 2.91Å; V379-R383 HydrophobicContact CG1-CG 4.36Å; R383-G385 PolarHBondContact O-N 3.12Å; R383-M386 HydrophobicContact CB-CE 4.42Å; R383-M386 WeakPolarHBondContact O-CB 3.39Å; R383-M386 PolarHBondContact O-N 3.29Å
384	P	96.6	Very high	88.1	Confident	4 Å²	4	64.7 Å²	64.7	3%	0.026	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	132	172.9	-31.5	37.6	0	0	0	112.6	F362 P380 P382 V405 F408 A409	F362-P384 HydrophobicContact CE1-CB 4.3Å; F362-P384 HydrophobicContact CZ-CB 4.01Å; F362-P384 HydrophobicContact CZ-CG 4.49Å; P380-P384 HydrophobicContact CG-CG 4.2Å; P382-P384 WeakPolarHBondContact O-CD 3.45Å; P384-V405 HydrophobicContact CG-CG1 4.3Å; P384-F408 HydrophobicContact CB-CD1 4.22Å; P384-F408 HydrophobicContact CG-CB 4.27Å; P384-F408 HydrophobicContact CG-CD1 3.62Å; P384-F408 HydrophobicContact CG-CE1 4.33Å; P384-F408 HydrophobicContact CG-CG 4.2Å; P384-A409 HydrophobicContact CB-CB 4.09Å
385	G	94.1	Very high	87.8	Confident	8 Å²	8	65.2 Å²	65.2	8%	0.082	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	1.2	-174	0	0	0	0	0	116.3	K247 Q272 R383	K247-G385 PolarHBondContact NZ-O 2.86Å; K247-G385 VanDerWaalsContact NZ-O 3.13Å; Q272-G385 PolarHBondContact NE2-O 2.82Å; R383-G385 PolarHBondContact O-N 3.12Å
386	M	93.5	Very high	87.6	Confident	77 Å²	77	70.3 Å²	70.3	38%	0.379	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-79.4	144.8	164.2	-173.9	173.3	-80.5	0	0	110.2	P382 R383	P382-M386 HydrophobicContact CB-SD 4.4Å; R383-M386 HydrophobicContact CB-CE 4.42Å; R383-M386 WeakPolarHBondContact O-CB 3.39Å; R383-M386 PolarHBondContact O-N 3.29Å
387	C	94.4	Very high	87.7	Confident	11 Å²	11	64.2 Å²	64.2	7%	0.074	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-87.2	142.9	179.2	-48	0	0	0	0	110.2	D244 C274 S389	D244-C387 WeakPolarHBondContact O-CB 3.5Å; C274-C387 HydrophobicContact CB-CB 3.65Å; C274-C387 WeakPolarHBondContact CB-SG 3.49Å; C274-C387 WeakPolarHBondContact SG-CA 3.26Å; C274-C387 WeakPolarHBondContact SG-CB 3.41Å; C274-C387 PolarHBondContact SG-N 2.75Å; C274-C387 VanDerWaalsContact SG-N 3.41Å; C274-C387 CovalentContact SG-SG 2.04Å; C274-C387 PolarHBondContact SG-SG 3.03Å; C387-S389 PolarHBondContact O-N 3.09Å
388	P	93	Very high	87.9	Confident	3 Å²	3	62.3 Å²	62.3	2%	0.019	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-63	125.5	166.4	29.1	-33.5	0	0	0	108	N276 F395 T398 F401	N276-P388 PolarHBondContact ND2-O 2.92Å; N276-P388 WeakPolarHBondContact OD1-CD 3.33Å; P388-F395 WeakPolarHBondContact CA-O 3.27Å; P388-F395 VanDerWaalsContact CB-O 3.27Å; P388-F395 WeakPolarHBondContact CB-O 3.26Å; P388-T398 HydrophobicContact CG-CG2 3.86Å; P388-F401 HydrophobicContact CB-CE1 4.21Å; P388-F401 HydrophobicContact CB-CZ 4.31Å
389	S	85.9	Confident	88	Confident	3 Å²	3	56.9 Å²	56.9	2%	0.021	29%	0.288	C	S	.	.			trans	-156.2	131.3	-168.3	172.7	0	0	0	0	111.5	D245 C387 T391 G393 F395	D245-S389 WeakPolarHBondContact OD1-CB 3.45Å; D245-S389 PolarHBondContact OD1-OG 3.28Å; C387-S389 PolarHBondContact O-N 3.09Å; S389-T391 PolarHBondContact O-N 2.71Å; S389-T391 PolarHBondContact OG-N 2.84Å; S389-G393 WeakPolarHBondContact O-CA 3.09Å; S389-G393 PolarHBondContact O-N 3.47Å; S389-F395 PolarHBondContact N-O 2.69Å
390	K	72.8	Confident	87.8	Confident	144 Å²	144	56.5 Å²	56.5	63%	0.626	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-11.7	-178.7	-60.4	-175.1	177.3	-158.4	0	113.9	E396	K390-E396 WeakPolarHBondContact CE-OE1 3.48Å; K390-E396 IonicContact NZ-OE1 3.32Å; K390-E396 PolarHBondContact NZ-OE1 2.91Å
391	T	69.6	Low	87.8	Confident	77 Å²	77	56.8 Å²	56.8	47%	0.472	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-33.6	-175.5	-45	0	0	0	0	112.4	N242 S389	N242-T391 PolarHBondContact ND2-OG1 2.91Å; S389-T391 PolarHBondContact O-N 2.71Å; S389-T391 PolarHBondContact OG-N 2.84Å
392	F	65.3	Low	87.9	Confident	160 Å²	160	52.2 Å²	52.2	70%	0.702	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.4	-2.2	-172.2	-57.5	-68.2	0	0	0	114.8
393	G	66.8	Low	87.9	Confident	28 Å²	28	55.3 Å²	55.3	29%	0.289	30%	0.299	S	S	.	.			trans	-122	150.7	-176.2	0	0	0	0	0	113.4	S389 F395	S389-G393 WeakPolarHBondContact O-CA 3.09Å; S389-G393 PolarHBondContact O-N 3.47Å; G393-F395 VanDerWaalsContact C-N 3.27Å; G393-F395 PolarHBondContact O-N 3.08Å
394	S	79.3	Confident	87.9	Confident	86 Å²	86	56.7 Å²	56.7	60%	0.601	31%	0.311	S	S	*	.	S	Bend	trans	-87.5	15.7	175	56	0	0	0	0	113.9
395	F	87.9	Confident	88	Confident	47 Å²	47	56.6 Å²	56.6	21%	0.206	31%	0.311	C	S	.	.			trans	-136.8	124.6	-172.6	-59.9	-89.1	0	0	0	110.9	Y381 P382 P388 S389 G393 S397 G400 F401 P402	Y381-F395 HydrophobicContact CE1-CE2 4.35Å; P382-F395 HydrophobicContact CB-CD2 4.43Å; P382-F395 HydrophobicContact CB-CE2 4.38Å; P382-F395 VanDerWaalsContact CD-CE2 3.46Å; P382-F395 HydrophobicContact CG-CD2 3.84Å; P382-F395 HydrophobicContact CG-CE2 3.78Å; P388-F395 WeakPolarHBondContact CA-O 3.27Å; P388-F395 VanDerWaalsContact CB-O 3.27Å; P388-F395 WeakPolarHBondContact CB-O 3.26Å; S389-F395 PolarHBondContact N-O 2.69Å; G393-F395 VanDerWaalsContact C-N 3.27Å; G393-F395 PolarHBondContact O-N 3.08Å; F395-S397 VanDerWaalsContact C-N 3.34Å; F395-G400 VanDerWaalsContact CD1-O 3.27Å; F395-G400 WeakPolarHBondContact CD1-O 3.35Å; F395-G400 WeakPolarHBondContact CE1-O 3.41Å; F395-F401 HydrophobicContact CB-CD1 4.08Å; F395-F401 HydrophobicContact CB-CE1 3.91Å; F395-F401 HydrophobicContact CD1-CD1 4.25Å; F395-F401 HydrophobicContact CD2-CD1 4.37Å; F395-F401 HydrophobicContact CD2-CE1 4.43Å; F395-F401 AromaticContact CG-CD1 3.98Å; F395-F401 HydrophobicContact CG-CD1 3.98Å; F395-F401 HydrophobicContact CG-CE1 4.17Å; F395-P402 HydrophobicContact CZ-CG 4.43Å
396	E	88.6	Confident	88.1	Confident	148 Å²	148	56.3 Å²	56.3	69%	0.692	31%	0.307	S	S	*	.	S	Bend	trans	-80	-12.4	176.2	-60.7	-161.8	112.2	0	0	113.8	K390	K390-E396 WeakPolarHBondContact CE-OE1 3.48Å; K390-E396 IonicContact NZ-OE1 3.32Å; K390-E396 PolarHBondContact NZ-OE1 2.91Å
397	S	93.3	Very high	88.2	Confident	35 Å²	35	56.9 Å²	56.9	25%	0.245	31%	0.309	C	S	.	.	S	Bend	trans	-157.5	150.6	-179.1	-169.2	0	0	0	0	111.9	F395 K399 G400	F395-S397 VanDerWaalsContact C-N 3.34Å; S397-K399 PolarHBondContact O-N 2.86Å; S397-G400 PolarHBondContact O-N 2.78Å
398	T	95.1	Very high	88.3	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-59.8	-23.6	174.1	57.8	0	0	0	0	113.1	D277 M278 G279 T289 T290 P388 G400 F401	D277-T398 HydrophobicContact CB-CG2 4.21Å; D277-T398 PolarHBondContact OD1-OG1 2.87Å; M278-T398 PolarHBondContact N-OG1 3.05Å; G279-T398 PolarHBondContact N-OG1 2.62Å; G279-T398 CarbonylContact O-C 3.58Å; G279-T398 PolarHBondContact O-OG1 2.85Å; T289-T398 VanDerWaalsContact OG1-CB 3.26Å; T289-T398 WeakPolarHBondContact OG1-CB 3.26Å; T289-T398 VanDerWaalsContact OG1-CG2 3.27Å; T289-T398 WeakPolarHBondContact OG1-CG2 3.47Å; T290-T398 HydrophobicContact CG2-CG2 4.11Å; P388-T398 HydrophobicContact CG-CG2 3.86Å; T398-G400 PolarHBondContact O-N 3.47Å; T398-F401 HydrophobicContact CG2-CD2 4.31Å; T398-F401 HydrophobicContact CG2-CE2 3.75Å; T398-F401 HydrophobicContact CG2-CZ 4.03Å; T398-F401 VanDerWaalsContact O-CB 3.32Å; T398-F401 WeakPolarHBondContact O-CB 3.5Å; T398-F401 WeakPolarHBondContact O-CG 3.28Å; T398-F401 PolarHBondContact O-N 3.44Å; T398-F401 VanDerWaalsContact O-N 3.08Å
399	K	94.8	Very high	88.5	Confident	85 Å²	85	57.4 Å²	57.4	37%	0.37	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-65.2	-20.7	172.5	-70.2	-172.6	169.4	-162.5	0	113.6	M278 G279 Q281 S397	M278-K399 HydrophobicContact CB-CD 4.48Å; M278-K399 HydrophobicContact CB-CG 4.21Å; M278-K399 VanDerWaalsContact O-CE 3.27Å; M278-K399 WeakPolarHBondContact O-CE 3.46Å; G279-K399 WeakPolarHBondContact O-CG 3.46Å; G279-K399 PolarHBondContact O-N 2.97Å; Q281-K399 HydrophobicContact CB-CB 4.31Å; Q281-K399 WeakPolarHBondContact CB-O 3.23Å; S397-K399 PolarHBondContact O-N 2.86Å
400	G	93.8	Very high	89	Confident	46 Å²	46	61 Å²	61	47%	0.474	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-86.2	-6.4	172.9	0	0	0	0	0	114.1	F395 S397 T398	F395-G400 VanDerWaalsContact CD1-O 3.27Å; F395-G400 WeakPolarHBondContact CD1-O 3.35Å; F395-G400 WeakPolarHBondContact CE1-O 3.41Å; S397-G400 PolarHBondContact O-N 2.78Å; T398-G400 PolarHBondContact O-N 3.47Å
401	F	95.2	Very high	90.1	Very high	18 Å²	18	56.8 Å²	56.8	8%	0.079	31%	0.306	C	S	.	.	S	Bend	trans	-67.1	138.8	-179.1	-68.7	-8.4	0	0	0	111.3	T290 P382 P388 F395 T398 V405 I406	T290-F401 HydrophobicContact CG2-CE2 4.49Å; P382-F401 HydrophobicContact CG-CD1 3.68Å; P382-F401 HydrophobicContact CG-CE1 3.71Å; P382-F401 HydrophobicContact CG-CG 4.18Å; P382-F401 HydrophobicContact CG-CZ 4.22Å; P388-F401 HydrophobicContact CB-CE1 4.21Å; P388-F401 HydrophobicContact CB-CZ 4.31Å; F395-F401 HydrophobicContact CB-CD1 4.08Å; F395-F401 HydrophobicContact CB-CE1 3.91Å; F395-F401 HydrophobicContact CD1-CD1 4.25Å; F395-F401 HydrophobicContact CD2-CD1 4.37Å; F395-F401 HydrophobicContact CD2-CE1 4.43Å; F395-F401 AromaticContact CG-CD1 3.98Å; F395-F401 HydrophobicContact CG-CD1 3.98Å; F395-F401 HydrophobicContact CG-CE1 4.17Å; T398-F401 HydrophobicContact CG2-CD2 4.31Å; T398-F401 HydrophobicContact CG2-CE2 3.75Å; T398-F401 HydrophobicContact CG2-CZ 4.03Å; T398-F401 VanDerWaalsContact O-CB 3.32Å; T398-F401 WeakPolarHBondContact O-CB 3.5Å; T398-F401 WeakPolarHBondContact O-CG 3.28Å; T398-F401 PolarHBondContact O-N 3.44Å; T398-F401 VanDerWaalsContact O-N 3.08Å; F401-V405 HydrophobicContact CB-CG1 4.4Å; F401-V405 HydrophobicContact CD2-CG1 4.31Å; F401-I406 HydrophobicContact CB-CD1 3.86Å; F401-I406 HydrophobicContact CB-CG1 4.18Å; F401-I406 HydrophobicContact CD2-CD1 4.1Å
402	P	95.8	Very high	91.3	Very high	47 Å²	47	54.2 Å²	54.2	31%	0.305	29%	0.289	S	S	.	.			trans	-53.6	147.6	174.5	-30.9	38.7	0	0	0	114.6	F395 D404 V405 I406	F395-P402 HydrophobicContact CZ-CG 4.43Å; P402-D404 WeakPolarHBondContact CB-OD1 3.42Å; P402-D404 PolarHBondContact O-N 3.2Å; P402-V405 HydrophobicContact CB-CG2 4.2Å; P402-V405 HydrophobicContact CG-CG2 4.39Å; P402-V405 WeakPolarHBondContact O-CB 3.31Å; P402-V405 PolarHBondContact O-N 2.87Å; P402-V405 VanDerWaalsContact O-N 3.12Å; P402-I406 PolarHBondContact O-N 2.75Å; P402-I406 VanDerWaalsContact O-N 3.14Å
403	D	95.6	Very high	92.8	Very high	70 Å²	70	46.7 Å²	46.7	37%	0.374	26%	0.256	S	S	.	.	H	α-helix	trans	-60.9	-27.7	-178.7	-81.6	-47.6	0	0	0	112.7	R282 Q407	R282-D403 WeakPolarHBondContact CD-OD2 3.09Å; R282-D403 IonicContact CZ-OD2 2.71Å; R282-D403 IonicContact NH1-OD2 2.7Å; R282-D403 PolarHBondContact NH1-OD2 2.91Å; D403-Q407 WeakPolarHBondContact O-CB 3.29Å; D403-Q407 PolarHBondContact O-N 2.69Å
404	D	95.8	Very high	94.3	Very high	93 Å²	93	45.6 Å²	45.6	50%	0.497	24%	0.243	S	C	.	.	H	α-helix	trans	-73.3	-37.2	175.2	71.3	-40.2	0	0	0	112.9	P380 P402 Q407 F408	P380-D404 VanDerWaalsContact CB-OD2 3.26Å; P380-D404 WeakPolarHBondContact CB-OD2 3.43Å; P402-D404 WeakPolarHBondContact CB-OD1 3.42Å; P402-D404 PolarHBondContact O-N 3.2Å; D404-Q407 PolarHBondContact O-N 2.79Å; D404-F408 VanDerWaalsContact O-CB 3.28Å; D404-F408 WeakPolarHBondContact O-CB 3.37Å; D404-F408 PolarHBondContact O-N 2.74Å
405	V	96.6	Very high	95.2	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.012	22%	0.216	C	C	.	.	H	α-helix	trans	-61.7	-46.6	171.5	174.5	0	0	0	0	110.8	P380 Y381 P382 P384 F401 P402 F408 A409	P380-V405 HydrophobicContact CB-CG2 3.74Å; P380-V405 HydrophobicContact CG-CB 4.47Å; P380-V405 HydrophobicContact CG-CG2 4.01Å; Y381-V405 WeakPolarHBondContact O-CG2 3.28Å; P382-V405 VanDerWaalsContact O-CG1 3.31Å; P382-V405 WeakPolarHBondContact O-CG1 3.35Å; P384-V405 HydrophobicContact CG-CG1 4.3Å; F401-V405 HydrophobicContact CB-CG1 4.4Å; F401-V405 HydrophobicContact CD2-CG1 4.31Å; P402-V405 HydrophobicContact CB-CG2 4.2Å; P402-V405 HydrophobicContact CG-CG2 4.39Å; P402-V405 WeakPolarHBondContact O-CB 3.31Å; P402-V405 PolarHBondContact O-N 2.87Å; P402-V405 VanDerWaalsContact O-N 3.12Å; V405-F408 PolarHBondContact O-N 3.22Å; V405-A409 WeakPolarHBondContact O-CB 3.48Å; V405-A409 PolarHBondContact O-N 2.81Å
406	I	97.2	Very high	95.6	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.015	23%	0.226	C	C	.	.	H	α-helix	trans	-64.4	-44.1	177.8	-61.6	-57.5	0	0	0	111	L284 T289 F401 P402 F408 A409 R410	L284-I406 HydrophobicContact CB-CG2 3.98Å; L284-I406 HydrophobicContact CD1-CG2 3.91Å; L284-I406 HydrophobicContact CG-CG2 3.96Å; T289-I406 HydrophobicContact CG2-CD1 3.6Å; F401-I406 HydrophobicContact CB-CD1 3.86Å; F401-I406 HydrophobicContact CB-CG1 4.18Å; F401-I406 HydrophobicContact CD2-CD1 4.1Å; P402-I406 PolarHBondContact O-N 2.75Å; P402-I406 VanDerWaalsContact O-N 3.14Å; I406-F408 VanDerWaalsContact C-N 3.34Å; I406-F408 PolarHBondContact O-N 2.76Å; I406-A409 PolarHBondContact O-N 2.88Å; I406-R410 WeakPolarHBondContact O-CB 3.25Å; I406-R410 PolarHBondContact O-N 3.33Å
407	Q	95.9	Very high	96	Very high	89 Å²	89	40.7 Å²	40.7	42%	0.416	21%	0.21	S	C	.	.	H	α-helix	trans	-67.1	-32.3	177.1	-175.6	72.3	-24.8	0	0	112.4	D403 D404 H411	D403-Q407 WeakPolarHBondContact O-CB 3.29Å; D403-Q407 PolarHBondContact O-N 2.69Å; D404-Q407 PolarHBondContact O-N 2.79Å; Q407-H411 PolarHBondContact O-ND1 2.75Å; Q407-H411 PolarHBondContact OE1-CE1 3.12Å
408	F	96.9	Very high	96.3	Very high	21 Å²	21	41 Å²	41	9%	0.092	21%	0.211	C	C	.	.	H	α-helix	trans	-70	-50.9	173.9	-170.3	-74.9	0	0	0	111.1	F362 F375 V379 P380 P384 D404 V405 I406 R410 H411 H412	F362-F408 HydrophobicContact CB-CE1 4.42Å; F362-F408 HydrophobicContact CB-CZ 4.49Å; F362-F408 HydrophobicContact CD1-CE1 4.08Å; F362-F408 AromaticContact CD2-CE1 3.65Å; F362-F408 HydrophobicContact CD2-CE1 3.65Å; F362-F408 AromaticContact CD2-CZ 3.84Å; F362-F408 HydrophobicContact CD2-CZ 3.84Å; F362-F408 HydrophobicContact CE1-CE1 4.25Å; F362-F408 AromaticContact CE2-CE1 3.85Å; F362-F408 HydrophobicContact CE2-CE1 3.85Å; F362-F408 HydrophobicContact CE2-CZ 4.31Å; F362-F408 AromaticContact CG-CE1 3.78Å; F362-F408 HydrophobicContact CG-CE1 3.78Å; F362-F408 HydrophobicContact CG-CZ 4.16Å; F362-F408 HydrophobicContact CZ-CE1 4.15Å; F375-F408 HydrophobicContact CD1-CE2 4.05Å; F375-F408 AromaticContact CD1-CZ 3.88Å; F375-F408 HydrophobicContact CD1-CZ 3.88Å; F375-F408 AromaticContact CE1-CE2 3.5Å; F375-F408 HydrophobicContact CE1-CE2 3.5Å; F375-F408 VanDerWaalsContact CE1-CE2 3.5Å; F375-F408 AromaticContact CE1-CZ 3.82Å; F375-F408 HydrophobicContact CE1-CZ 3.82Å; F375-F408 HydrophobicContact CE2-CE2 4.3Å; F375-F408 HydrophobicContact CG-CZ 4.37Å; F375-F408 AromaticContact CZ-CE2 3.64Å; F375-F408 HydrophobicContact CZ-CE2 3.64Å; F375-F408 HydrophobicContact CZ-CZ 4.28Å; V379-F408 HydrophobicContact CG2-CZ 4.36Å; P380-F408 HydrophobicContact CG-CB 3.75Å; P380-F408 HydrophobicContact CG-CD2 4.16Å; P380-F408 HydrophobicContact CG-CG 3.97Å; P384-F408 HydrophobicContact CB-CD1 4.22Å; P384-F408 HydrophobicContact CG-CB 4.27Å; P384-F408 HydrophobicContact CG-CD1 3.62Å; P384-F408 HydrophobicContact CG-CE1 4.33Å; P384-F408 HydrophobicContact CG-CG 4.2Å; D404-F408 VanDerWaalsContact O-CB 3.28Å; D404-F408 WeakPolarHBondContact O-CB 3.37Å; D404-F408 PolarHBondContact O-N 2.74Å; V405-F408 PolarHBondContact O-N 3.22Å; I406-F408 VanDerWaalsContact C-N 3.34Å; I406-F408 PolarHBondContact O-N 2.76Å; F408-R410 PolarHBondContact O-N 3.34Å; F408-H411 PolarHBondContact O-N 3.38Å; F408-H412 HydrophobicContact CD1-CB 3.91Å; F408-H412 AromaticContact CD1-CG 3.99Å; F408-H412 AromaticContact CD1-ND1 3.58Å; F408-H412 AromaticContact CD2-ND1 3.8Å; F408-H412 HydrophobicContact CE1-CB 3.54Å; F408-H412 AromaticContact CE1-CG 3.61Å; F408-H412 AromaticContact CE1-ND1 3.58Å; F408-H412 AromaticContact CE2-CE1 3.96Å; F408-H412 AromaticContact CE2-ND1 3.78Å; F408-H412 AromaticContact CG-ND1 3.71Å; F408-H412 HydrophobicContact CZ-CB 4.2Å; F408-H412 AromaticContact CZ-CG 3.81Å; F408-H412 AromaticContact CZ-ND1 3.67Å; F408-H412 PolarHBondContact O-N 2.78Å; F408-H412 PolarHBondContact O-ND1 2.86Å
409	A	96.8	Very high	96.4	Very high	4 Å²	4	41 Å²	41	3%	0.033	21%	0.211	C	C	.	.	H	α-helix	trans	-55.4	-41.4	179.6	0	0	0	0	0	111.6	T289 P384 V405 I406 H411 H412	T289-A409 WeakPolarHBondContact O-CB 3.17Å; P384-A409 HydrophobicContact CB-CB 4.09Å; V405-A409 WeakPolarHBondContact O-CB 3.48Å; V405-A409 PolarHBondContact O-N 2.81Å; I406-A409 PolarHBondContact O-N 2.88Å; A409-H411 VanDerWaalsContact C-N 3.25Å; A409-H411 PolarHBondContact O-N 3.39Å; A409-H412 PolarHBondContact O-N 3.47Å
410	R	96.1	Very high	96.6	Very high	77 Å²	77	41 Å²	41	29%	0.291	21%	0.209	S	C	.	.	H	α-helix	trans	-55.1	-36.8	176.6	-172.7	172.3	-165.9	-154.4	-1.7	114.3	E219 W225 L284 I406 F408	E219-R410 IonicContact OE1-CZ 2.79Å; E219-R410 IonicContact OE1-NE 3.24Å; E219-R410 IonicContact OE1-NH2 2.7Å; E219-R410 PolarHBondContact OE1-NH2 3.03Å; E219-R410 WeakPolarHBondContact OE2-CG 3.27Å; E219-R410 IonicContact OE2-CZ 3.71Å; E219-R410 IonicContact OE2-NE 3.2Å; E219-R410 PolarHBondContact OE2-NE 2.81Å; E219-R410 IonicContact OE2-NH2 3.67Å; E219-R410 PolarHBondContact OE2-NH2 2.95Å; W225-R410 PolarHBondContact NE1-O 3.15Å; L284-R410 HydrophobicContact CD1-CB 3.96Å; L284-R410 HydrophobicContact CD1-CG 4.46Å; L284-R410 HydrophobicContact CD2-CB 4.49Å; L284-R410 HydrophobicContact CD2-CG 4.1Å; L284-R410 HydrophobicContact CG-CB 4.43Å; I406-R410 WeakPolarHBondContact O-CB 3.25Å; I406-R410 PolarHBondContact O-N 3.33Å; F408-R410 PolarHBondContact O-N 3.34Å
411	H	94.9	Very high	96.7	Very high	57 Å²	57	39.1 Å²	39.1	26%	0.264	19%	0.189	S	C	.	.	H	α-helix	trans	-102.8	-16.4	-172	-63.1	118.3	0	0	0	114	R224 Q407 F408 A409 P413	R224-H411 PolarHBondContact NH1-CD2 2.74Å; Q407-H411 PolarHBondContact O-ND1 2.75Å; Q407-H411 PolarHBondContact OE1-CE1 3.12Å; F408-H411 PolarHBondContact O-N 3.38Å; A409-H411 VanDerWaalsContact C-N 3.25Å; A409-H411 PolarHBondContact O-N 3.39Å; H411-P413 WeakPolarHBondContact O-CD 3.34Å
412	H	96.1	Very high	96.6	Very high	22 Å²	22	41.8 Å²	41.8	10%	0.102	20%	0.202	C	C	.	.			trans	-121.8	51.7	-178	-56.2	95.8	0	0	0	113.8	F362 H364 F408 A409 L414	F362-H412 HydrophobicContact CB-CB 4.22Å; F362-H412 HydrophobicContact CD1-CB 4.14Å; F362-H412 WeakPolarHBondContact CD1-O 3.21Å; F362-H412 HydrophobicContact CG-CB 4.34Å; H364-H412 AromaticContact CE1-NE2 3.7Å; H364-H412 AromaticContact CG-NE2 3.94Å; H364-H412 AromaticContact ND1-CD2 3.64Å; H364-H412 AromaticContact ND1-NE2 2.91Å; H364-H412 PolarHBondContact ND1-NE2 3.01Å; F408-H412 HydrophobicContact CD1-CB 3.91Å; F408-H412 AromaticContact CD1-CG 3.99Å; F408-H412 AromaticContact CD1-ND1 3.58Å; F408-H412 AromaticContact CD2-ND1 3.8Å; F408-H412 HydrophobicContact CE1-CB 3.54Å; F408-H412 AromaticContact CE1-CG 3.61Å; F408-H412 AromaticContact CE1-ND1 3.58Å; F408-H412 AromaticContact CE2-CE1 3.96Å; F408-H412 AromaticContact CE2-ND1 3.78Å; F408-H412 AromaticContact CG-ND1 3.71Å; F408-H412 HydrophobicContact CZ-CB 4.2Å; F408-H412 AromaticContact CZ-CG 3.81Å; F408-H412 AromaticContact CZ-ND1 3.67Å; F408-H412 PolarHBondContact O-N 2.78Å; F408-H412 PolarHBondContact O-ND1 2.86Å; A409-H412 PolarHBondContact O-N 3.47Å; H412-L414 PolarHBondContact O-N 2.86Å
413	P	97	Very high	96.2	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.019	22%	0.217	C	C	.	.			trans	-71.2	-11.7	177.2	31.6	-37.3	0	0	0	113.5	R224 W225 F291 L292 K293 H411	R224-P413 HydrophobicContact CB-CG 3.96Å; R224-P413 WeakPolarHBondContact O-CG 3.26Å; W225-P413 HydrophobicContact CG-CG 4.39Å; F291-P413 HydrophobicContact CD1-CB 4.05Å; F291-P413 HydrophobicContact CE1-CB 4.24Å; L292-P413 CarbonylContact C-O 3.57Å; L292-P413 VanDerWaalsContact CA-O 3.3Å; L292-P413 WeakPolarHBondContact CA-O 3.38Å; K293-P413 PolarHBondContact N-O 3.43Å; H411-P413 WeakPolarHBondContact O-CD 3.34Å
414	L	97.9	Very high	96.1	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-101.2	132.5	-178	-178.4	63.7	0	0	0	111.1	V257 K293 A363 W372 H412	V257-L414 HydrophobicContact CG2-CD2 4.24Å; K293-L414 HydrophobicContact CG-CD1 4.03Å; K293-L414 WeakPolarHBondContact O-CA 3.16Å; A363-L414 HydrophobicContact CB-CB 4.12Å; A363-L414 HydrophobicContact CB-CD2 3.9Å; A363-L414 HydrophobicContact CB-CG 3.74Å; A363-L414 WeakPolarHBondContact CB-O 3.17Å; A363-L414 PolarHBondContact N-O 2.8Å; W372-L414 HydrophobicContact CE3-CD2 4.4Å; W372-L414 HydrophobicContact CH2-CD2 4.36Å; W372-L414 HydrophobicContact CZ3-CD2 4.09Å; H412-L414 PolarHBondContact O-N 2.86Å
415	M	98.3	Very high	95.9	Very high	5 Å²	5	52 Å²	52	3%	0.025	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-86.9	146.4	169.4	-50.7	-50.8	-59.8	0	0	111.1	L292 K293 F358 G360 F362	L292-M415 HydrophobicContact CB-SD 4.27Å; L292-M415 HydrophobicContact CD1-SD 3.81Å; L292-M415 HydrophobicContact CD2-SD 4.17Å; L292-M415 HydrophobicContact CG-SD 4.32Å; K293-M415 PolarHBondContact O-N 2.91Å; F358-M415 HydrophobicContact CD1-CG 3.79Å; F358-M415 HydrophobicContact CE1-CG 4.28Å; F358-M415 WeakPolarHBondContact O-CE 3.45Å; G360-M415 WeakPolarHBondContact O-CE 3.44Å; F362-M415 HydrophobicContact CD1-CE 3.83Å; F362-M415 HydrophobicContact CD1-SD 3.63Å; F362-M415 HydrophobicContact CE1-CE 3.96Å; F362-M415 HydrophobicContact CE1-SD 3.76Å; F362-M415 HydrophobicContact CG-CE 4.19Å; F362-M415 HydrophobicContact CG-SD 4.49Å; F362-M415 HydrophobicContact CZ-CE 4.43Å
416	Y	96.9	Very high	95.8	Very high	109 Å²	109	52.7 Å²	52.7	43%	0.427	24%	0.236	S	C	.	.	S	Bend	trans	-79.6	-39.3	177.9	-176.6	-94.7	0	0	0	112.4	P361 P374 P418	P361-Y416 HydrophobicContact CG-CD1 4.46Å; P361-Y416 WeakPolarHBondContact O-CB 3.04Å; P361-Y416 PolarHBondContact O-N 2.89Å; P374-Y416 HydrophobicContact CB-CD1 3.74Å; P374-Y416 HydrophobicContact CB-CD2 4.21Å; P374-Y416 HydrophobicContact CB-CE1 4.1Å; P374-Y416 HydrophobicContact CB-CG 3.8Å; P374-Y416 HydrophobicContact CG-CD1 4.22Å; P374-Y416 HydrophobicContact CG-CE1 4.06Å; P374-Y416 HydrophobicContact CG-CE2 4.47Å; P374-Y416 HydrophobicContact CG-CG 4.49Å; Y416-P418 WeakPolarHBondContact O-CD 3.37Å
417	N	97.4	Very high	95.6	Very high	64 Å²	64	53.9 Å²	53.9	34%	0.342	24%	0.243	S	C	.	.	S	Bend	trans	-76.2	120.6	179.1	-76.4	7.7	0	0	0	110.8	T294	T294-N417 PolarHBondContact OG1-O 3.19Å
418	P	97.6	Very high	95.6	Very high	41 Å²	41	49.6 Å²	49.6	27%	0.266	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-75.8	163.7	172.8	33.6	-36.5	0	0	0	112	R295 I297 Y416 Y420	R295-P418 HydrophobicContact CB-CB 4.2Å; R295-P418 WeakPolarHBondContact O-CA 3.31Å; I297-P418 HydrophobicContact CD1-CB 4.39Å; I297-P418 HydrophobicContact CG1-CB 3.74Å; I297-P418 HydrophobicContact CG1-CG 4.24Å; Y416-P418 WeakPolarHBondContact O-CD 3.37Å; P418-Y420 HydrophobicContact CG-CD2 4.33Å; P418-Y420 HydrophobicContact CG-CE2 3.69Å
419	V	98.6	Very high	95.5	Very high	1 Å²	1	50 Å²	50	1%	0.006	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-93.7	118.4	169.6	179.2	0	0	0	0	109	I270 T294 R295 L296 I297 Y349 I354 A357	I270-V419 HydrophobicContact CG2-CG2 4.4Å; T294-V419 HydrophobicContact CG2-CG2 3.7Å; R295-V419 PolarHBondContact O-N 2.67Å; L296-V419 HydrophobicContact CD2-CB 4.08Å; L296-V419 HydrophobicContact CD2-CG1 4.14Å; I297-V419 PolarHBondContact N-O 2.95Å; Y349-V419 HydrophobicContact CD1-CG1 3.62Å; Y349-V419 HydrophobicContact CE1-CG1 4.14Å; Y349-V419 HydrophobicContact CG-CG1 4.32Å; I354-V419 HydrophobicContact CG1-CG1 3.84Å; I354-V419 HydrophobicContact CG1-CG2 4.27Å; A357-V419 HydrophobicContact CB-CG2 3.42Å; A357-V419 VanDerWaalsContact CB-CG2 3.42Å
420	Y	97.7	Very high	95.2	Very high	86 Å²	86	50.1 Å²	50.1	34%	0.337	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-91.4	153.5	172.3	-74.8	-84.4	0	0	0	111.1	I297 Y349 P418	I297-Y420 HydrophobicContact CB-CD1 4.06Å; I297-Y420 HydrophobicContact CB-CE1 4.24Å; I297-Y420 HydrophobicContact CG1-CD1 4.45Å; I297-Y420 HydrophobicContact CG1-CE1 4.25Å; I297-Y420 HydrophobicContact CG2-CD1 3.85Å; I297-Y420 HydrophobicContact CG2-CE1 3.84Å; Y349-Y420 WeakPolarHBondContact CD1-O 3.45Å; P418-Y420 HydrophobicContact CG-CD2 4.33Å; P418-Y420 HydrophobicContact CG-CE2 3.69Å
421	P	96.5	Very high	94.9	Very high	6 Å²	6	48.6 Å²	48.6	4%	0.039	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-75.8	162.6	177.4	32.8	-28.4	0	0	0	110.1	I297 C347 L348 Y349 N423 R424	I297-P421 VanDerWaalsContact O-CD 3.27Å; I297-P421 WeakPolarHBondContact O-CD 3.48Å; C347-P421 HydrophobicContact CB-CB 4.11Å; L348-P421 CarbonylContact O-C 3.6Å; L348-P421 VanDerWaalsContact O-CA 3.3Å; L348-P421 WeakPolarHBondContact O-CA 3.38Å; L348-P421 WeakPolarHBondContact O-CB 3.25Å; Y349-P421 HydrophobicContact CD1-CB 4.1Å; Y349-P421 HydrophobicContact CE1-CB 3.86Å; P421-N423 PolarHBondContact O-N 3.13Å; P421-R424 WeakPolarHBondContact O-CA 3.32Å; P421-R424 PolarHBondContact O-N 3.04Å
422	M	92.7	Very high	94.3	Very high	73 Å²	73	51.9 Å²	51.9	36%	0.36	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-53.9	138.2	171.7	-67.3	-178.4	71.2	0	0	109.7	L328 L348 R424	L328-M422 HydrophobicContact CD2-SD 4.29Å; L348-M422 HydrophobicContact CD2-SD 3.95Å; L348-M422 HydrophobicContact CG-CG 4.47Å; L348-M422 HydrophobicContact CG-SD 3.84Å; L348-M422 PolarHBondContact O-N 3.31Å; M422-R424 PolarHBondContact O-N 3.24Å
423	N	88.6	Confident	93.9	Very high	117 Å²	117	52.9 Å²	52.9	63%	0.626	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	57.6	11.3	-173	-55.1	-13.8	0	0	0	115.4	P421 R425	P421-N423 PolarHBondContact O-N 3.13Å; N423-R425 PolarHBondContact O-N 2.91Å
424	R	92.3	Very high	93.4	Very high	171 Å²	171	61.3 Å²	61.3	65%	0.645	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	53.2	27.8	-177.5	-60.1	-169.2	178.2	-162.6	1.6	114.9	P421 M422	P421-R424 WeakPolarHBondContact O-CA 3.32Å; P421-R424 PolarHBondContact O-N 3.04Å; M422-R424 PolarHBondContact O-N 3.24Å
425	R	91.5	Very high	93.1	Very high	137 Å²	137	62.6 Å²	62.6	52%	0.517	30%	0.297	S	S	.	.	S	Bend	trans	-141.1	163.3	176.5	-66.1	-178.4	-178.6	-102.6	-1.4	109.9	N423	N423-R425 PolarHBondContact O-N 2.91Å
426	P	94.7	Very high	92.9	Very high	17 Å²	17	63.7 Å²	63.7	11%	0.11	31%	0.305	C	S	.	.			trans	-69.2	161.8	170	-13.4	31.2	0	0	0	111	S299 V300 A345 V346 V429	S299-P426 WeakPolarHBondContact O-CD 3.35Å; V300-P426 HydrophobicContact CG2-CG 3.75Å; A345-P426 HydrophobicContact CB-CB 4.09Å; A345-P426 HydrophobicContact CB-CG 4.17Å; V346-P426 CarbonylContact O-C 3.58Å; V346-P426 WeakPolarHBondContact O-CA 3.49Å; V346-P426 VanDerWaalsContact O-CB 3.24Å; V346-P426 WeakPolarHBondContact O-CB 3.44Å; P426-V429 HydrophobicContact CB-CG2 3.69Å; P426-V429 HydrophobicContact CG-CG2 3.74Å
427	V	93.9	Very high	92.9	Very high	27 Å²	27	58.5 Å²	58.5	16%	0.164	29%	0.285	C	S	.	.	S	Bend	trans	-96.6	-10.5	174.8	-62.1	0	0	0	0	113.3	Y330 V346 L348 M455	Y330-V427 HydrophobicContact CE1-CG2 4.36Å; V346-V427 HydrophobicContact CB-CG2 4.05Å; V346-V427 HydrophobicContact CG1-CG2 3.76Å; V346-V427 WeakPolarHBondContact O-CG2 3.48Å; V346-V427 PolarHBondContact O-N 3.08Å; L348-V427 HydrophobicContact CB-CG1 3.79Å; L348-V427 HydrophobicContact CB-CG2 4.44Å; L348-V427 HydrophobicContact CD2-CG1 4.21Å; V427-M455 HydrophobicContact CG2-CE 4.26Å; V427-M455 HydrophobicContact CG2-SD 3.87Å
428	F	95.3	Very high	92.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	135.9	171	-175.1	-124.9	0	0	0	110.2	A345 V346 R430 F437 M455 I457 L465 V467 E480 L482	A345-F428 CarbonylContact C-O 3.57Å; A345-F428 WeakPolarHBondContact CA-O 3.43Å; V346-F428 HydrophobicContact CB-CB 4.16Å; V346-F428 HydrophobicContact CG2-CB 4.24Å; V346-F428 HydrophobicContact CG2-CD1 4.38Å; V346-F428 PolarHBondContact N-O 2.82Å; F428-R430 HydrophobicContact CE1-CG 3.93Å; F428-R430 VanDerWaalsContact CE2-CZ 3.4Å; F428-R430 HydrophobicContact CZ-CG 3.87Å; F428-R430 VanDerWaalsContact CZ-CZ 3.44Å; F428-F437 AromaticContact CD1-CE2 3.74Å; F428-F437 HydrophobicContact CD1-CE2 3.74Å; F428-F437 AromaticContact CD1-CZ 3.55Å; F428-F437 HydrophobicContact CD1-CZ 3.55Å; F428-F437 HydrophobicContact CE1-CE1 4.09Å; F428-F437 HydrophobicContact CE1-CE2 4.04Å; F428-F437 AromaticContact CE1-CZ 3.36Å; F428-F437 HydrophobicContact CE1-CZ 3.36Å; F428-F437 HydrophobicContact CZ-CZ 4.47Å; F428-M455 HydrophobicContact CB-CE 4.26Å; F428-I457 HydrophobicContact CD1-CD1 3.53Å; F428-I457 HydrophobicContact CE1-CD1 3.85Å; F428-I457 HydrophobicContact CG-CD1 4.49Å; F428-L465 HydrophobicContact CE1-CD1 4.2Å; F428-V467 HydrophobicContact CB-CG1 4.37Å; F428-V467 HydrophobicContact CD1-CG1 4.36Å; F428-V467 HydrophobicContact CD1-CG2 4.13Å; F428-V467 HydrophobicContact CD2-CG1 3.55Å; F428-V467 HydrophobicContact CD2-CG2 4.35Å; F428-V467 HydrophobicContact CE1-CG2 3.69Å; F428-V467 HydrophobicContact CE2-CG1 3.74Å; F428-V467 HydrophobicContact CE2-CG2 3.93Å; F428-V467 HydrophobicContact CG-CG1 3.87Å; F428-V467 HydrophobicContact CG-CG2 4.44Å; F428-V467 HydrophobicContact CZ-CG1 4.25Å; F428-V467 HydrophobicContact CZ-CG2 3.58Å; F428-E480 WeakPolarHBondContact CA-OE1 3.45Å; F428-E480 HydrophobicContact CD2-CB 4.17Å; F428-E480 HydrophobicContact CD2-CG 4.32Å; F428-E480 WeakPolarHBondContact CD2-OE2 3.3Å; F428-L482 HydrophobicContact CZ-CB 4.47Å; F428-L482 HydrophobicContact CZ-CD1 4.41Å
429	V	93.9	Very high	93	Very high	29 Å²	29	55.7 Å²	55.7	18%	0.176	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.4	177.1	-174.1	0	0	0	0	112	V300 F310 A345 P426 T431 E480	V300-V429 HydrophobicContact CG2-CG2 4.03Å; F310-V429 HydrophobicContact CZ-CG1 4.11Å; A345-V429 HydrophobicContact CB-CG2 4.4Å; P426-V429 HydrophobicContact CB-CG2 3.69Å; P426-V429 HydrophobicContact CG-CG2 3.74Å; V429-T431 HydrophobicContact CG1-CG2 4.3Å; V429-E480 PolarHBondContact N-OE1 2.86Å; V429-E480 PolarHBondContact N-OE2 2.87Å; V429-E480 VanDerWaalsContact N-OE2 3.12Å
430	R	92.4	Very high	93	Very high	6 Å²	6	55.8 Å²	55.8	2%	0.023	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	127.8	166.3	-72.1	-66.8	178.7	-94.2	10.9	111.5	S28 G343 S344 F428 V433 F437 E480	S28-R430 PolarHBondContact O-NH2 3.2Å; S28-R430 PolarHBondContact OG-NH2 3.38Å; G343-R430 CarbonylContact C-O 3.58Å; G343-R430 VanDerWaalsContact CA-O 3.25Å; G343-R430 WeakPolarHBondContact CA-O 3.3Å; S344-R430 PolarHBondContact N-O 2.82Å; S344-R430 PolarHBondContact O-N 2.73Å; F428-R430 HydrophobicContact CE1-CG 3.93Å; F428-R430 VanDerWaalsContact CE2-CZ 3.4Å; F428-R430 HydrophobicContact CZ-CG 3.87Å; F428-R430 VanDerWaalsContact CZ-CZ 3.44Å; R430-V433 HydrophobicContact CB-CG2 3.97Å; R430-F437 HydrophobicContact CB-CE1 4.04Å; R430-F437 HydrophobicContact CB-CZ 3.67Å; R430-F437 HydrophobicContact CG-CE1 4.03Å; R430-F437 HydrophobicContact CG-CZ 3.63Å; R430-E480 IonicContact NH1-OE2 2.8Å
431	T	89.4	Confident	93	Very high	45 Å²	45	51.7 Å²	51.7	28%	0.276	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	158.6	174.9	50.7	0	0	0	0	108.6	V429 V433	V429-T431 HydrophobicContact CG1-CG2 4.3Å; T431-V433 PolarHBondContact O-N 3.01Å
432	N	82.1	Confident	93.1	Very high	127 Å²	127	51.5 Å²	51.5	68%	0.679	25%	0.251	S	S	*	.	S	Bend	trans	57	33.5	178.9	-53.9	-23.5	0	0	0	114
433	V	86.9	Confident	93.4	Very high	42 Å²	42	48.6 Å²	48.6	26%	0.255	24%	0.237	S	C	.	.			trans	-112.7	155.7	173.6	-73.3	0	0	0	0	110.3	R430 T431 Y435	R430-V433 HydrophobicContact CB-CG2 3.97Å; T431-V433 PolarHBondContact O-N 3.01Å; V433-Y435 HydrophobicContact CB-CD2 4.27Å; V433-Y435 HydrophobicContact CB-CE2 4.18Å; V433-Y435 HydrophobicContact CG1-CE2 4.49Å; V433-Y435 HydrophobicContact CG2-CD2 3.92Å; V433-Y435 HydrophobicContact CG2-CE2 3.96Å; V433-Y435 WeakPolarHBondContact CG2-O 3.22Å; V433-Y435 PolarHBondContact O-N 3.1Å
434	E	86.6	Confident	93.7	Very high	181 Å²	181	46.9 Å²	46.9	85%	0.846	22%	0.221	S	C	*	.	S	Bend	trans	-77.5	-4.9	-178.2	-61.6	-170	164.8	0	0	114.4	K461	E434-K461 VanDerWaalsContact O-CE 3.23Å; E434-K461 WeakPolarHBondContact O-CE 3.3Å
435	Y	91.4	Very high	93.8	Very high	31 Å²	31	39.3 Å²	39.3	12%	0.122	19%	0.194	C	C	.	.			trans	-117.5	155.7	-179.2	53.1	-118.4	0	0	0	112.8	V433 F437 T459 D460 L465 E485	V433-Y435 HydrophobicContact CB-CD2 4.27Å; V433-Y435 HydrophobicContact CB-CE2 4.18Å; V433-Y435 HydrophobicContact CG1-CE2 4.49Å; V433-Y435 HydrophobicContact CG2-CD2 3.92Å; V433-Y435 HydrophobicContact CG2-CE2 3.96Å; V433-Y435 WeakPolarHBondContact CG2-O 3.22Å; V433-Y435 PolarHBondContact O-N 3.1Å; Y435-F437 HydrophobicContact CE2-CE1 4.2Å; Y435-T459 HydrophobicContact CD2-CG2 4.01Å; Y435-T459 HydrophobicContact CE2-CG2 4.45Å; Y435-T459 HydrophobicContact CG-CG2 4.15Å; Y435-D460 WeakPolarHBondContact CA-OD1 3.18Å; Y435-D460 WeakPolarHBondContact CB-OD1 3.49Å; Y435-L465 HydrophobicContact CE2-CD1 3.98Å; Y435-E485 WeakPolarHBondContact CE1-OE2 3.41Å; Y435-E485 PolarHBondContact OH-OE2 2.82Å
436	S	94.5	Very high	93.9	Very high	28 Å²	28	36.6 Å²	36.6	20%	0.196	19%	0.19	C	C	.	.			trans	-115.7	152.5	165.7	70.1	0	0	0	0	110.9	S344 T459 D460	S344-S436 WeakPolarHBondContact OG-CA 3.43Å; S436-T459 VanDerWaalsContact O-CA 3.26Å; S436-T459 WeakPolarHBondContact O-CA 3.37Å; S436-T459 WeakPolarHBondContact O-CB 3.28Å; S436-D460 WeakPolarHBondContact CB-OD2 3.28Å; S436-D460 VanDerWaalsContact N-CG 3.26Å; S436-D460 PolarHBondContact N-OD1 2.99Å; S436-D460 PolarHBondContact N-OD2 3.29Å; S436-D460 PolarHBondContact O-N 3.5Å; S436-D460 VanDerWaalsContact OG-CG 3.25Å; S436-D460 PolarHBondContact OG-OD2 2.75Å
437	F	97.7	Very high	93.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	137.3	176.9	-56.6	-20.3	0	0	0	110.2	V332 S344 V346 F428 R430 Y435 I457 G458 L465	V332-F437 HydrophobicContact CG1-CB 3.3Å; V332-F437 HydrophobicContact CG1-CD2 4.27Å; V332-F437 HydrophobicContact CG1-CG 4.32Å; S344-F437 VanDerWaalsContact CB-CG 3.41Å; S344-F437 PolarHBondContact OG-N 3.22Å; S344-F437 VanDerWaalsContact OG-N 3.11Å; V346-F437 HydrophobicContact CG2-CD2 4.19Å; V346-F437 HydrophobicContact CG2-CE2 4.15Å; F428-F437 AromaticContact CD1-CE2 3.74Å; F428-F437 HydrophobicContact CD1-CE2 3.74Å; F428-F437 AromaticContact CD1-CZ 3.55Å; F428-F437 HydrophobicContact CD1-CZ 3.55Å; F428-F437 HydrophobicContact CE1-CE1 4.09Å; F428-F437 HydrophobicContact CE1-CE2 4.04Å; F428-F437 AromaticContact CE1-CZ 3.36Å; F428-F437 HydrophobicContact CE1-CZ 3.36Å; F428-F437 HydrophobicContact CZ-CZ 4.47Å; R430-F437 HydrophobicContact CB-CE1 4.04Å; R430-F437 HydrophobicContact CB-CZ 3.67Å; R430-F437 HydrophobicContact CG-CE1 4.03Å; R430-F437 HydrophobicContact CG-CZ 3.63Å; Y435-F437 HydrophobicContact CE2-CE1 4.2Å; F437-I457 HydrophobicContact CB-CG2 3.83Å; F437-I457 HydrophobicContact CD1-CG2 3.8Å; F437-I457 HydrophobicContact CD2-CG2 4.04Å; F437-I457 HydrophobicContact CE1-CG2 4.4Å; F437-I457 HydrophobicContact CG-CG2 3.62Å; F437-G458 WeakPolarHBondContact CA-O 3.49Å; F437-L465 HydrophobicContact CD1-CD1 4.31Å; F437-L465 HydrophobicContact CE1-CD1 3.65Å; F437-L465 HydrophobicContact CZ-CD1 4.43Å
438	T	97.6	Very high	93.5	Very high	22 Å²	22	37.8 Å²	37.8	14%	0.135	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	-30.5	-176.8	57.2	0	0	0	0	114.1	G458 D460 V495	T438-G458 PolarHBondContact N-O 3.35Å; T438-G458 PolarHBondContact OG1-O 3.06Å; T438-D460 HydrophobicContact CG2-CB 3.9Å; T438-V495 VanDerWaalsContact CB-O 3.28Å; T438-V495 WeakPolarHBondContact CB-O 3.5Å; T438-V495 PolarHBondContact OG1-O 2.73Å
439	Q	98.3	Very high	93.2	Very high	24 Å²	24	40.9 Å²	40.9	11%	0.112	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	156.2	-172.7	-71.8	-69.1	-83.3	0	0	111.2	D315 I457 G458 V495 N497 M498	D315-Q439 PolarHBondContact OD1-NE2 2.9Å; D315-Q439 VanDerWaalsContact OD2-CA 3.26Å; D315-Q439 WeakPolarHBondContact OD2-CA 3.46Å; D315-Q439 PolarHBondContact OD2-NE2 2.79Å; Q439-I457 CarbonylContact O-C 3.52Å; Q439-I457 WeakPolarHBondContact O-CA 3.27Å; Q439-G458 PolarHBondContact O-N 3.4Å; Q439-V495 HydrophobicContact CB-CG1 4.05Å; Q439-V495 HydrophobicContact CG-CG1 4.05Å; Q439-N497 VanDerWaalsContact OE1-CA 3.24Å; Q439-M498 HydrophobicContact CB-CB 4.25Å; Q439-M498 HydrophobicContact CB-CG 3.74Å; Q439-M498 HydrophobicContact CB-SD 3.45Å; Q439-M498 WeakPolarHBondContact CB-SD 3.22Å; Q439-M498 HydrophobicContact CG-CG 4.38Å
440	I	98.7	Very high	93	Very high	2 Å²	2	41 Å²	41	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	139.9	174.6	-170.4	166.6	0	0	0	112.7	D315 F317 Y330 V332 V346 V442 M455 F456 I457	D315-I440 HydrophobicContact CB-CG2 4.5Å; D315-I440 PolarHBondContact OD2-N 2.74Å; F317-I440 HydrophobicContact CB-CG2 3.91Å; Y330-I440 HydrophobicContact CD1-CD1 4.43Å; V332-I440 HydrophobicContact CG2-CB 3.56Å; V332-I440 HydrophobicContact CG2-CD1 4.42Å; V332-I440 HydrophobicContact CG2-CG2 3.57Å; V346-I440 HydrophobicContact CG1-CD1 3.61Å; V346-I440 HydrophobicContact CG2-CD1 4.17Å; I440-V442 HydrophobicContact CD1-CG2 4.06Å; I440-V442 HydrophobicContact CG1-CG2 3.98Å; I440-M455 HydrophobicContact CD1-CB 4.3Å; I440-M455 HydrophobicContact CD1-CG 4.35Å; I440-M455 HydrophobicContact CD1-SD 4.42Å; I440-F456 CarbonylContact C-O 3.53Å; I440-F456 WeakPolarHBondContact CA-O 3.2Å; I440-I457 HydrophobicContact CD1-CG1 4.2Å; I440-I457 HydrophobicContact CG1-CG1 4.23Å
441	A	98.5	Very high	93	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	144.1	163.6	0	0	0	0	0	109.8	F317 F456 M498 I500 L507	F317-A441 HydrophobicContact CD2-CB 4.33Å; F317-A441 HydrophobicContact CE2-CB 4.1Å; A441-F456 PolarHBondContact N-O 2.78Å; A441-F456 PolarHBondContact O-N 2.79Å; A441-M498 HydrophobicContact CB-CE 4.2Å; A441-I500 HydrophobicContact CB-CB 3.92Å; A441-I500 HydrophobicContact CB-CD1 4.24Å; A441-I500 HydrophobicContact CB-CG2 3.96Å; A441-L507 HydrophobicContact CB-CD1 3.91Å
442	V	98.4	Very high	93.3	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.018	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133.4	-176.4	-169.2	0	0	0	0	111	F317 L319 Y330 I440 D453 V454 M455	F317-V442 HydrophobicContact CD1-CB 3.81Å; F317-V442 HydrophobicContact CD1-CG2 3.87Å; F317-V442 HydrophobicContact CE1-CB 3.72Å; F317-V442 HydrophobicContact CE1-CG2 4.3Å; F317-V442 VanDerWaalsContact CE1-O 3.22Å; F317-V442 WeakPolarHBondContact CE1-O 3.28Å; F317-V442 HydrophobicContact CG-CG2 4.46Å; F317-V442 VanDerWaalsContact CZ-O 3.27Å; F317-V442 WeakPolarHBondContact CZ-O 3.16Å; L319-V442 HydrophobicContact CD2-CG1 4.09Å; Y330-V442 HydrophobicContact CD1-CG2 4Å; Y330-V442 HydrophobicContact CD2-CB 4.46Å; Y330-V442 HydrophobicContact CD2-CG1 4.46Å; Y330-V442 HydrophobicContact CD2-CG2 3.98Å; Y330-V442 HydrophobicContact CE1-CG2 4.44Å; Y330-V442 HydrophobicContact CE2-CG1 4.14Å; Y330-V442 HydrophobicContact CE2-CG2 4.43Å; Y330-V442 HydrophobicContact CG-CG2 3.76Å; I440-V442 HydrophobicContact CD1-CG2 4.06Å; I440-V442 HydrophobicContact CG1-CG2 3.98Å; V442-D453 HydrophobicContact CG1-CB 3.92Å; V442-V454 WeakPolarHBondContact CA-O 3.34Å; V442-M455 HydrophobicContact CG1-CG 4.33Å; V442-M455 HydrophobicContact CG2-CG 4.12Å
443	D	97.8	Very high	94	Very high	12 Å²	12	39.8 Å²	39.8	6%	0.064	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	138	174.7	-171.1	24.5	0	0	0	110.6	V445 D453 V454 I500 S502 Y540	D443-V445 HydrophobicContact CB-CG2 4.42Å; D443-D453 WeakPolarHBondContact O-CA 3.4Å; D443-V454 PolarHBondContact N-O 3.46Å; D443-V454 PolarHBondContact O-N 3.24Å; D443-I500 HydrophobicContact CB-CD1 3.9Å; D443-S502 VanDerWaalsContact CG-OG 3.31Å; D443-S502 WeakPolarHBondContact OD1-CB 3.36Å; D443-S502 PolarHBondContact OD1-OG 3.49Å; D443-Y540 VanDerWaalsContact CB-OH 3.23Å; D443-Y540 WeakPolarHBondContact CB-OH 3.31Å; D443-Y540 WeakPolarHBondContact OD2-CE1 3.37Å; D443-Y540 PolarHBondContact OD2-OH 2.8Å
444	R	96.3	Very high	94.5	Very high	80 Å²	80	37.8 Å²	37.8	30%	0.302	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	101.9	178.1	-179.9	162.2	-72.7	176.9	-1.6	110.2	L319 D453	L319-R444 HydrophobicContact CD1-CB 4.36Å; R444-D453 WeakPolarHBondContact CB-OD1 3.4Å; R444-D453 WeakPolarHBondContact CG-OD1 3.38Å; R444-D453 IonicContact CZ-OD1 2.72Å; R444-D453 IonicContact CZ-OD2 3.86Å; R444-D453 IonicContact NE-OD1 3.6Å; R444-D453 PolarHBondContact NE-OD1 2.85Å; R444-D453 IonicContact NE-OD2 3.82Å; R444-D453 IonicContact NH2-OD1 3.57Å; R444-D453 PolarHBondContact NH2-OD1 3.44Å; R444-D453 IonicContact NH2-OD2 2.72Å; R444-D453 PolarHBondContact NH2-OD2 2.93Å
445	V	94.7	Very high	95.1	Very high	13 Å²	13	29.3 Å²	29.3	8%	0.079	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	136.5	-171	-171	0	0	0	0	110.6	D443 Q451 Y452 V454 P539 Y540	D443-V445 HydrophobicContact CB-CG2 4.42Å; V445-Q451 CarbonylContact O-C 3.52Å; V445-Q451 WeakPolarHBondContact O-CA 3.44Å; V445-Y452 PolarHBondContact N-O 2.83Å; V445-Y452 PolarHBondContact O-N 3.22Å; V445-V454 HydrophobicContact CB-CG2 4.33Å; V445-V454 HydrophobicContact CG2-CB 4.44Å; V445-V454 HydrophobicContact CG2-CG2 3.62Å; V445-P539 HydrophobicContact CB-CB 4.05Å; V445-P539 HydrophobicContact CG1-CB 3.87Å; V445-Y540 HydrophobicContact CB-CE1 4.46Å; V445-Y540 HydrophobicContact CG1-CD1 3.95Å; V445-Y540 HydrophobicContact CG1-CE1 4.12Å; V445-Y540 HydrophobicContact CG1-CG 4.39Å; V445-Y540 HydrophobicContact CG2-CD1 4.07Å; V445-Y540 HydrophobicContact CG2-CE1 3.43Å; V445-Y540 VanDerWaalsContact CG2-CE1 3.43Å; V445-Y540 HydrophobicContact CG2-CE2 3.96Å
446	N	92.4	Very high	95.4	Very high	79 Å²	79	27.9 Å²	27.9	42%	0.422	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	127.3	166.7	-57.7	-74.7	0	0	0	108.9	Q451 Y551	N446-Q451 PolarHBondContact OD1-NE2 2.74Å; N446-Y551 WeakPolarHBondContact O-CD1 3.42Å; N446-Y551 WeakPolarHBondContact O-CE1 3.42Å
447	A	92.1	Very high	95.6	Very high	9 Å²	9	26.6 Å²	26.6	7%	0.074	15%	0.149	C	C	.	.			trans	-110.1	-174.4	170.6	0	0	0	0	0	110.4	D449 G450 Y452 P539 Y551 V564	A447-D449 VanDerWaalsContact C-N 3.33Å; A447-D449 WeakPolarHBondContact CB-OD1 3.26Å; A447-G450 PolarHBondContact N-O 3.21Å; A447-Y452 HydrophobicContact CB-CD2 3.81Å; A447-Y452 HydrophobicContact CB-CE2 3.91Å; A447-P539 HydrophobicContact CB-CB 4.43Å; A447-Y551 VanDerWaalsContact C-CZ 3.47Å; A447-Y551 PolarHBondContact O-OH 2.66Å; A447-Y551 VanDerWaalsContact O-OH 3.12Å; A447-V564 HydrophobicContact CB-CG2 3.95Å
448	A	89	Confident	95.6	Very high	61 Å²	61	26.6 Å²	26.6	50%	0.504	15%	0.149	S	C	.	.	S	Bend	trans	-69.9	-29.4	174.6	0	0	0	0	0	113.4	Y551 Q562	A448-Y551 HydrophobicContact CB-CE2 4.03Å; A448-Q562 HydrophobicContact CB-CB 4.02Å
449	D	88.5	Confident	95.6	Very high	64 Å²	64	25.5 Å²	25.5	34%	0.342	14%	0.143	S	C	.	.	S	Bend	trans	-108.6	-8.3	-170.4	57.4	-40.1	0	0	0	114.1	A447 Y452 V564 R565	A447-D449 VanDerWaalsContact C-N 3.33Å; A447-D449 WeakPolarHBondContact CB-OD1 3.26Å; D449-Y452 PolarHBondContact OD2-OH 2.81Å; D449-V564 PolarHBondContact OD2-N 2.92Å; D449-R565 WeakPolarHBondContact OD2-CB 3.3Å; D449-R565 PolarHBondContact OD2-N 3.46Å
450	G	89.9	Confident	95.5	Very high	33 Å²	33	26.9 Å²	26.9	34%	0.34	15%	0.151	S	C	.	.			trans	170.2	-162.3	178.4	0	0	0	0	0	115.1	A447	A447-G450 PolarHBondContact N-O 3.21Å
451	Q	92.3	Very high	95.3	Very high	100 Å²	100	31.3 Å²	31.3	47%	0.467	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137.3	166	-64.2	-163.1	-40.9	0	0	109.4	V445 N446	V445-Q451 CarbonylContact O-C 3.52Å; V445-Q451 WeakPolarHBondContact O-CA 3.44Å; N446-Q451 PolarHBondContact OD1-NE2 2.74Å
452	Y	94.8	Very high	95	Very high	20 Å²	20	31.3 Å²	31.3	8%	0.078	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	134.7	-179.2	-68.5	-78.3	0	0	0	110.9	V445 A447 D449 V470 P539 V564 R565	V445-Y452 PolarHBondContact N-O 2.83Å; V445-Y452 PolarHBondContact O-N 3.22Å; A447-Y452 HydrophobicContact CB-CD2 3.81Å; A447-Y452 HydrophobicContact CB-CE2 3.91Å; D449-Y452 PolarHBondContact OD2-OH 2.81Å; Y452-V470 HydrophobicContact CD1-CG1 4.14Å; Y452-V470 HydrophobicContact CE1-CB 4.33Å; Y452-V470 HydrophobicContact CE1-CG1 3.74Å; Y452-P539 HydrophobicContact CD2-CB 4.25Å; Y452-P539 HydrophobicContact CD2-CG 4.15Å; Y452-P539 HydrophobicContact CG-CG 4.06Å; Y452-V564 HydrophobicContact CD1-CG1 4.15Å; Y452-V564 HydrophobicContact CD2-CB 4.24Å; Y452-V564 HydrophobicContact CD2-CG1 3.93Å; Y452-V564 HydrophobicContact CD2-CG2 4.32Å; Y452-V564 HydrophobicContact CE1-CG1 3.81Å; Y452-V564 HydrophobicContact CE2-CB 3.55Å; Y452-V564 HydrophobicContact CE2-CG1 3.56Å; Y452-V564 HydrophobicContact CE2-CG2 3.97Å; Y452-V564 HydrophobicContact CG-CG1 4.2Å; Y452-V564 VanDerWaalsContact CZ-CG1 3.49Å; Y452-R565 PolarHBondContact OH-N 3.43Å
453	D	96.6	Very high	94.9	Very high	31 Å²	31	31.8 Å²	31.8	17%	0.166	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	109.4	172.3	-68.1	-20.2	0	0	0	108.8	L319 Y330 V442 D443 R444	L319-D453 HydrophobicContact CD2-CB 4.37Å; L319-D453 WeakPolarHBondContact CD2-OD1 3.4Å; L319-D453 WeakPolarHBondContact CD2-OD2 3.26Å; Y330-D453 WeakPolarHBondContact OH-CB 3.49Å; Y330-D453 PolarHBondContact OH-OD2 2.97Å; Y330-D453 VanDerWaalsContact OH-OD2 3.09Å; V442-D453 HydrophobicContact CG1-CB 3.92Å; D443-D453 WeakPolarHBondContact O-CA 3.4Å; R444-D453 WeakPolarHBondContact CB-OD1 3.4Å; R444-D453 WeakPolarHBondContact CG-OD1 3.38Å; R444-D453 IonicContact CZ-OD1 2.72Å; R444-D453 IonicContact CZ-OD2 3.86Å; R444-D453 IonicContact NE-OD1 3.6Å; R444-D453 PolarHBondContact NE-OD1 2.85Å; R444-D453 IonicContact NE-OD2 3.82Å; R444-D453 IonicContact NH2-OD1 3.57Å; R444-D453 PolarHBondContact NH2-OD1 3.44Å; R444-D453 IonicContact NH2-OD2 2.72Å; R444-D453 PolarHBondContact NH2-OD2 2.93Å
454	V	98.2	Very high	94.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	115.8	-179.7	-170.5	0	0	0	0	109.2	V442 D443 V445 F456 K466 I468 P539 Y540	V442-V454 WeakPolarHBondContact CA-O 3.34Å; D443-V454 PolarHBondContact N-O 3.46Å; D443-V454 PolarHBondContact O-N 3.24Å; V445-V454 HydrophobicContact CB-CG2 4.33Å; V445-V454 HydrophobicContact CG2-CB 4.44Å; V445-V454 HydrophobicContact CG2-CG2 3.62Å; V454-F456 HydrophobicContact CB-CE2 4.2Å; V454-F456 HydrophobicContact CG1-CD2 4.49Å; V454-F456 HydrophobicContact CG1-CE2 3.84Å; V454-F456 HydrophobicContact CG1-CZ 3.97Å; V454-K466 HydrophobicContact CG1-CG 3.82Å; V454-I468 HydrophobicContact CB-CG2 4.2Å; V454-I468 HydrophobicContact CG1-CG2 4.03Å; V454-I468 HydrophobicContact CG2-CG2 3.81Å; V454-P539 HydrophobicContact CG2-CB 4.34Å; V454-P539 HydrophobicContact CG2-CG 4Å; V454-Y540 HydrophobicContact CB-CE2 4.16Å; V454-Y540 HydrophobicContact CG1-CE2 4.07Å; V454-Y540 HydrophobicContact CG2-CE2 3.95Å
455	M	98.6	Very high	94.9	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.015	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	121.1	-179.5	-60	178.2	-71.5	0	0	109.8	Y330 V346 V427 F428 I440 V442 I457 K466 V467	Y330-M455 HydrophobicContact CD1-CG 4.4Å; Y330-M455 HydrophobicContact CD1-SD 4Å; Y330-M455 HydrophobicContact CE1-CG 4.11Å; Y330-M455 HydrophobicContact CE1-SD 3.72Å; V346-M455 HydrophobicContact CG1-SD 3.9Å; V427-M455 HydrophobicContact CG2-CE 4.26Å; V427-M455 HydrophobicContact CG2-SD 3.87Å; F428-M455 HydrophobicContact CB-CE 4.26Å; I440-M455 HydrophobicContact CD1-CB 4.3Å; I440-M455 HydrophobicContact CD1-CG 4.35Å; I440-M455 HydrophobicContact CD1-SD 4.42Å; V442-M455 HydrophobicContact CG1-CG 4.33Å; V442-M455 HydrophobicContact CG2-CG 4.12Å; M455-I457 HydrophobicContact CB-CD1 4.4Å; M455-I457 HydrophobicContact CB-CG1 4.27Å; M455-K466 WeakPolarHBondContact O-CA 3.37Å; M455-V467 HydrophobicContact CB-CB 4.37Å; M455-V467 HydrophobicContact CE-CB 4.13Å; M455-V467 HydrophobicContact CE-CG1 3.71Å; M455-V467 PolarHBondContact N-O 2.91Å; M455-V467 PolarHBondContact O-N 3.26Å
456	F	98.7	Very high	95	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.009	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	116.1	168.4	-63	-90.1	0	0	0	107.8	I440 A441 V454 V464 L465 K466 M498 I500 L507 L520 Y540	I440-F456 CarbonylContact C-O 3.53Å; I440-F456 WeakPolarHBondContact CA-O 3.2Å; A441-F456 PolarHBondContact N-O 2.78Å; A441-F456 PolarHBondContact O-N 2.79Å; V454-F456 HydrophobicContact CB-CE2 4.2Å; V454-F456 HydrophobicContact CG1-CD2 4.49Å; V454-F456 HydrophobicContact CG1-CE2 3.84Å; V454-F456 HydrophobicContact CG1-CZ 3.97Å; F456-V464 HydrophobicContact CB-CG1 4.3Å; F456-V464 HydrophobicContact CD1-CG1 4.41Å; F456-L465 CarbonylContact C-O 3.54Å; F456-L465 VanDerWaalsContact CA-O 3.31Å; F456-L465 WeakPolarHBondContact CA-O 3.27Å; F456-K466 HydrophobicContact CD1-CB 4.42Å; F456-K466 HydrophobicContact CD1-CG 4.37Å; F456-K466 HydrophobicContact CE1-CB 4.34Å; F456-K466 HydrophobicContact CE1-CD 4.02Å; F456-K466 HydrophobicContact CE1-CG 3.91Å; F456-K466 HydrophobicContact CZ-CD 4.42Å; F456-K466 HydrophobicContact CZ-CG 4.33Å; F456-M498 HydrophobicContact CB-CE 3.86Å; F456-M498 WeakPolarHBondContact O-CE 3.34Å; F456-I500 HydrophobicContact CD2-CD1 3.87Å; F456-I500 HydrophobicContact CE2-CD1 4.08Å; F456-L507 HydrophobicContact CB-CD1 4.42Å; F456-L507 HydrophobicContact CB-CD2 3.98Å; F456-L507 HydrophobicContact CD1-CD2 4.08Å; F456-L507 HydrophobicContact CG-CD2 4.19Å; F456-L520 HydrophobicContact CD2-CD2 4.41Å; F456-L520 HydrophobicContact CE1-CD2 4.15Å; F456-L520 HydrophobicContact CE2-CD2 3.86Å; F456-L520 HydrophobicContact CZ-CB 3.84Å; F456-L520 HydrophobicContact CZ-CD2 3.72Å; F456-L520 HydrophobicContact CZ-CG 4.29Å; F456-Y540 HydrophobicContact CE2-CE2 4.36Å; F456-Y540 AromaticContact CZ-CE2 3.89Å; F456-Y540 HydrophobicContact CZ-CE2 3.89Å
457	I	98.8	Very high	95.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	119.5	-171.5	-52.7	165.2	0	0	0	109.3	V346 F428 F437 Q439 I440 M455 V464 L465 V467	V346-I457 HydrophobicContact CG2-CD1 3.65Å; V346-I457 HydrophobicContact CG2-CG1 4.34Å; F428-I457 HydrophobicContact CD1-CD1 3.53Å; F428-I457 HydrophobicContact CE1-CD1 3.85Å; F428-I457 HydrophobicContact CG-CD1 4.49Å; F437-I457 HydrophobicContact CB-CG2 3.83Å; F437-I457 HydrophobicContact CD1-CG2 3.8Å; F437-I457 HydrophobicContact CD2-CG2 4.04Å; F437-I457 HydrophobicContact CE1-CG2 4.4Å; F437-I457 HydrophobicContact CG-CG2 3.62Å; Q439-I457 CarbonylContact O-C 3.52Å; Q439-I457 WeakPolarHBondContact O-CA 3.27Å; I440-I457 HydrophobicContact CD1-CG1 4.2Å; I440-I457 HydrophobicContact CG1-CG1 4.23Å; M455-I457 HydrophobicContact CB-CD1 4.4Å; M455-I457 HydrophobicContact CB-CG1 4.27Å; I457-V464 CarbonylContact O-C 3.53Å; I457-V464 WeakPolarHBondContact O-CA 3.44Å; I457-L465 HydrophobicContact CB-CB 4.28Å; I457-L465 PolarHBondContact N-O 2.68Å; I457-L465 PolarHBondContact O-N 3.48Å; I457-V467 HydrophobicContact CD1-CB 4.45Å; I457-V467 HydrophobicContact CD1-CG2 4Å
458	G	98.3	Very high	95.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	153.8	175.9	0	0	0	0	0	112.5	F437 T438 Q439 M498	F437-G458 WeakPolarHBondContact CA-O 3.49Å; T438-G458 PolarHBondContact N-O 3.35Å; T438-G458 PolarHBondContact OG1-O 3.06Å; Q439-G458 PolarHBondContact O-N 3.4Å; G458-M498 PolarHBondContact N-SD 3.05Å; G458-M498 VanDerWaalsContact N-SD 3.38Å
459	T	97.1	Very high	95.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	163.1	-179.2	72.1	0	0	0	0	114.5	Y435 S436 K461 G462 T463 L465 V495	Y435-T459 HydrophobicContact CD2-CG2 4.01Å; Y435-T459 HydrophobicContact CE2-CG2 4.45Å; Y435-T459 HydrophobicContact CG-CG2 4.15Å; S436-T459 VanDerWaalsContact O-CA 3.26Å; S436-T459 WeakPolarHBondContact O-CA 3.37Å; S436-T459 WeakPolarHBondContact O-CB 3.28Å; T459-K461 PolarHBondContact O-N 2.89Å; T459-K461 VanDerWaalsContact O-N 3.14Å; T459-K461 PolarHBondContact OG1-N 2.82Å; T459-G462 PolarHBondContact O-N 3.48Å; T459-T463 VanDerWaalsContact CG2-OG1 3.27Å; T459-T463 WeakPolarHBondContact CG2-OG1 3.44Å; T459-T463 PolarHBondContact N-O 3.18Å; T459-T463 PolarHBondContact OG1-N 2.88Å; T459-T463 VanDerWaalsContact OG1-N 3.09Å; T459-T463 PolarHBondContact OG1-O 2.73Å; T459-T463 PolarHBondContact OG1-OG1 2.61Å; T459-L465 HydrophobicContact CG2-CD1 4.49Å; T459-L465 HydrophobicContact CG2-CG 4.35Å; T459-V495 PolarHBondContact O-N 3.05Å
460	D	95.4	Very high	95.5	Very high	53 Å²	53	18.5 Å²	18.5	28%	0.283	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	3.1	169.5	65.9	-1.7	0	0	0	114.5	Y435 S436 T438	Y435-D460 WeakPolarHBondContact CA-OD1 3.18Å; Y435-D460 WeakPolarHBondContact CB-OD1 3.49Å; S436-D460 WeakPolarHBondContact CB-OD2 3.28Å; S436-D460 VanDerWaalsContact N-CG 3.26Å; S436-D460 PolarHBondContact N-OD1 2.99Å; S436-D460 PolarHBondContact N-OD2 3.29Å; S436-D460 PolarHBondContact O-N 3.5Å; S436-D460 VanDerWaalsContact OG-CG 3.25Å; S436-D460 PolarHBondContact OG-OD2 2.75Å; T438-D460 HydrophobicContact CG2-CB 3.9Å
461	K	94.1	Very high	95.2	Very high	95 Å²	95	17.3 Å²	17.3	41%	0.413	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	15.5	173.1	-61.1	-58.3	-178	-174.4	0	113.3	E434 T459 T463 A492	E434-K461 VanDerWaalsContact O-CE 3.23Å; E434-K461 WeakPolarHBondContact O-CE 3.3Å; T459-K461 PolarHBondContact O-N 2.89Å; T459-K461 VanDerWaalsContact O-N 3.14Å; T459-K461 PolarHBondContact OG1-N 2.82Å; K461-T463 PolarHBondContact O-N 3.22Å; K461-A492 CarbonylContact C-O 3.6Å; K461-A492 VanDerWaalsContact C-O 3.24Å; K461-A492 WeakPolarHBondContact CA-O 3.26Å; K461-A492 HydrophobicContact CB-CB 4.44Å; K461-A492 VanDerWaalsContact O-CA 3.27Å; K461-A492 WeakPolarHBondContact O-CA 3.37Å; K461-A492 WeakPolarHBondContact O-CB 3.18Å
462	G	93.8	Very high	94.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	66.1	22	178	0	0	0	0	0	114.1	T459 V488 F489 S493	T459-G462 PolarHBondContact O-N 3.48Å; G462-V488 WeakPolarHBondContact O-CA 3.27Å; G462-V488 WeakPolarHBondContact O-CB 3.4Å; G462-V488 PolarHBondContact O-N 2.87Å; G462-F489 PolarHBondContact O-N 2.79Å; G462-S493 WeakPolarHBondContact CA-O 3.49Å; G462-S493 PolarHBondContact N-O 2.79Å
463	T	94.6	Very high	93	Very high	13 Å²	13	23.6 Å²	23.6	8%	0.08	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	154.4	171.5	66.8	0	0	0	0	110.9	T459 K461 L486	T459-T463 VanDerWaalsContact CG2-OG1 3.27Å; T459-T463 WeakPolarHBondContact CG2-OG1 3.44Å; T459-T463 PolarHBondContact N-O 3.18Å; T459-T463 PolarHBondContact OG1-N 2.88Å; T459-T463 VanDerWaalsContact OG1-N 3.09Å; T459-T463 PolarHBondContact OG1-O 2.73Å; T459-T463 PolarHBondContact OG1-OG1 2.61Å; K461-T463 PolarHBondContact O-N 3.22Å; T463-L486 CarbonylContact C-O 3.47Å; T463-L486 WeakPolarHBondContact CA-O 3.5Å; T463-L486 WeakPolarHBondContact CB-O 3.28Å
464	V	97.1	Very high	91.6	Very high	6 Å²	6	24.7 Å²	24.7	4%	0.036	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.6	165.8	170.8	0	0	0	0	108.7	F456 I457 L486 V488 V495 L507 V509	F456-V464 HydrophobicContact CB-CG1 4.3Å; F456-V464 HydrophobicContact CD1-CG1 4.41Å; I457-V464 CarbonylContact O-C 3.53Å; I457-V464 WeakPolarHBondContact O-CA 3.44Å; V464-L486 PolarHBondContact N-O 2.76Å; V464-L486 PolarHBondContact O-N 3Å; V464-V488 HydrophobicContact CB-CG2 3.96Å; V464-V488 HydrophobicContact CG2-CG2 3.72Å; V464-V495 HydrophobicContact CG2-CG2 4.46Å; V464-L507 HydrophobicContact CG1-CD2 3.98Å; V464-V509 HydrophobicContact CG2-CG1 4.21Å; V464-V509 HydrophobicContact CG2-CG2 4.17Å
465	L	97.5	Very high	89.9	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	139.1	173.5	-52.5	-177	0	0	0	109.4	F428 Y435 F437 F456 I457 T459 V467 L482 E484 E485	F428-L465 HydrophobicContact CE1-CD1 4.2Å; Y435-L465 HydrophobicContact CE2-CD1 3.98Å; F437-L465 HydrophobicContact CD1-CD1 4.31Å; F437-L465 HydrophobicContact CE1-CD1 3.65Å; F437-L465 HydrophobicContact CZ-CD1 4.43Å; F456-L465 CarbonylContact C-O 3.54Å; F456-L465 VanDerWaalsContact CA-O 3.31Å; F456-L465 WeakPolarHBondContact CA-O 3.27Å; I457-L465 HydrophobicContact CB-CB 4.28Å; I457-L465 PolarHBondContact N-O 2.68Å; I457-L465 PolarHBondContact O-N 3.48Å; T459-L465 HydrophobicContact CG2-CD1 4.49Å; T459-L465 HydrophobicContact CG2-CG 4.35Å; L465-V467 HydrophobicContact CB-CG2 4.28Å; L465-L482 HydrophobicContact CB-CD1 3.7Å; L465-L482 HydrophobicContact CD1-CD1 4.45Å; L465-L482 HydrophobicContact CD2-CD1 4.14Å; L465-L482 HydrophobicContact CG-CD1 4.31Å; L465-E484 CarbonylContact C-O 3.59Å; L465-E484 WeakPolarHBondContact CA-O 3.5Å; L465-E485 HydrophobicContact CD2-CB 3.87Å; L465-E485 HydrophobicContact CD2-CG 3.63Å
466	K	97.7	Very high	88.3	Confident	3 Å²	3	41.2 Å²	41.2	1%	0.013	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	115.7	171	-178.1	-177.3	172	176	0	109.4	V454 M455 F456 L483 E484 L520 D538	V454-K466 HydrophobicContact CG1-CG 3.82Å; M455-K466 WeakPolarHBondContact O-CA 3.37Å; F456-K466 HydrophobicContact CD1-CB 4.42Å; F456-K466 HydrophobicContact CD1-CG 4.37Å; F456-K466 HydrophobicContact CE1-CB 4.34Å; F456-K466 HydrophobicContact CE1-CD 4.02Å; F456-K466 HydrophobicContact CE1-CG 3.91Å; F456-K466 HydrophobicContact CZ-CD 4.42Å; F456-K466 HydrophobicContact CZ-CG 4.33Å; K466-L483 PolarHBondContact O-N 2.82Å; K466-E484 HydrophobicContact CB-CB 3.96Å; K466-E484 HydrophobicContact CB-CG 4.46Å; K466-E484 HydrophobicContact CD-CB 4.43Å; K466-E484 HydrophobicContact CD-CG 4.05Å; K466-E484 WeakPolarHBondContact CD-OE1 3.38Å; K466-E484 WeakPolarHBondContact CE-OE1 3.5Å; K466-E484 PolarHBondContact N-O 3.08Å; K466-E484 IonicContact NZ-OE1 3.49Å; K466-E484 PolarHBondContact NZ-OE1 2.75Å; K466-L520 PolarHBondContact NZ-O 2.99Å; K466-D538 WeakPolarHBondContact CE-OD1 3.07Å; K466-D538 IonicContact NZ-OD1 3.97Å; K466-D538 PolarHBondContact NZ-OD1 3.4Å; K466-D538 IonicContact NZ-OD2 3.54Å; K466-D538 PolarHBondContact NZ-OD2 3.29Å
467	V	97.5	Very high	87.2	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	141.6	-169.8	-176.2	0	0	0	0	110.7	F428 M455 I457 L465 L481 L482	F428-V467 HydrophobicContact CB-CG1 4.37Å; F428-V467 HydrophobicContact CD1-CG1 4.36Å; F428-V467 HydrophobicContact CD1-CG2 4.13Å; F428-V467 HydrophobicContact CD2-CG1 3.55Å; F428-V467 HydrophobicContact CD2-CG2 4.35Å; F428-V467 HydrophobicContact CE1-CG2 3.69Å; F428-V467 HydrophobicContact CE2-CG1 3.74Å; F428-V467 HydrophobicContact CE2-CG2 3.93Å; F428-V467 HydrophobicContact CG-CG1 3.87Å; F428-V467 HydrophobicContact CG-CG2 4.44Å; F428-V467 HydrophobicContact CZ-CG1 4.25Å; F428-V467 HydrophobicContact CZ-CG2 3.58Å; M455-V467 HydrophobicContact CB-CB 4.37Å; M455-V467 HydrophobicContact CE-CB 4.13Å; M455-V467 HydrophobicContact CE-CG1 3.71Å; M455-V467 PolarHBondContact N-O 2.91Å; M455-V467 PolarHBondContact O-N 3.26Å; I457-V467 HydrophobicContact CD1-CB 4.45Å; I457-V467 HydrophobicContact CD1-CG2 4Å; L465-V467 HydrophobicContact CB-CG2 4.28Å; V467-L481 VanDerWaalsContact CA-O 3.3Å; V467-L481 WeakPolarHBondContact CA-O 3.15Å; V467-L482 HydrophobicContact CG2-CD1 3.6Å
468	I	95.8	Very high	86.4	Confident	1 Å²	1	48 Å²	48	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	158.8	164.2	64.4	175	0	0	0	110.3	V454 V470 L481 L483 R537 P539 V564	V454-I468 HydrophobicContact CB-CG2 4.2Å; V454-I468 HydrophobicContact CG1-CG2 4.03Å; V454-I468 HydrophobicContact CG2-CG2 3.81Å; I468-V470 HydrophobicContact CD1-CG1 3.67Å; I468-V470 HydrophobicContact CG1-CG1 3.98Å; I468-L481 HydrophobicContact CD1-CD1 3.99Å; I468-L481 HydrophobicContact CG1-CB 3.77Å; I468-L481 HydrophobicContact CG1-CD1 4.01Å; I468-L481 HydrophobicContact CG1-CG 4.4Å; I468-L481 PolarHBondContact N-O 2.86Å; I468-L481 PolarHBondContact O-N 3.42Å; I468-L483 HydrophobicContact CD1-CD1 4.24Å; I468-L483 HydrophobicContact CD1-CD2 4.49Å; I468-L483 HydrophobicContact CG1-CD1 4.25Å; I468-L483 HydrophobicContact CG1-CD2 4.43Å; I468-L483 HydrophobicContact CG1-CG 4.46Å; I468-L483 HydrophobicContact CG2-CD1 4.2Å; I468-R537 VanDerWaalsContact CD1-O 3.3Å; I468-R537 WeakPolarHBondContact CD1-O 3.32Å; I468-P539 HydrophobicContact CD1-CG 4.17Å; I468-P539 HydrophobicContact CG2-CG 4.09Å; I468-V564 HydrophobicContact CD1-CG1 3.63Å
469	S	91.6	Very high	86	Confident	27 Å²	27	50 Å²	50	19%	0.189	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.1	172.3	-167.4	0	0	0	0	108.3	M478 E479	S469-M478 WeakPolarHBondContact OG-CE 3.36Å; S469-E479 WeakPolarHBondContact CA-O 3.26Å
470	V	87.9	Confident	85.7	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	141.9	-172	-54.4	0	0	0	0	112.6	Y452 I468 K472 M478 E479 L481 V564	Y452-V470 HydrophobicContact CD1-CG1 4.14Å; Y452-V470 HydrophobicContact CE1-CB 4.33Å; Y452-V470 HydrophobicContact CE1-CG1 3.74Å; I468-V470 HydrophobicContact CD1-CG1 3.67Å; I468-V470 HydrophobicContact CG1-CG1 3.98Å; V470-K472 PolarHBondContact O-N 2.81Å; V470-M478 WeakPolarHBondContact O-CA 3.01Å; V470-E479 HydrophobicContact CG2-CB 3.95Å; V470-E479 PolarHBondContact N-O 2.78Å; V470-E479 PolarHBondContact O-N 3.05Å; V470-L481 HydrophobicContact CG1-CD1 4.01Å; V470-L481 HydrophobicContact CG2-CD1 3.74Å; V470-L481 HydrophobicContact CG2-CG 4.32Å; V470-V564 HydrophobicContact CG1-CG1 4.23Å
471	P	81.9	Confident	85.5	Confident	9 Å²	9	51 Å²	51	6%	0.058	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	110.3	-176.9	-15.7	30.2	0	0	0	112.9	W475 M478 R565	P471-W475 HydrophobicContact CB-CD2 4.29Å; P471-W475 HydrophobicContact CB-CE3 4.02Å; P471-W475 HydrophobicContact CB-CZ3 4.36Å; P471-W475 HydrophobicContact CG-CD2 4.18Å; P471-W475 HydrophobicContact CG-CE3 3.49Å; P471-W475 VanDerWaalsContact CG-CE3 3.49Å; P471-W475 HydrophobicContact CG-CH2 3.99Å; P471-W475 HydrophobicContact CG-CZ3 3.39Å; P471-M478 HydrophobicContact CB-SD 4Å; P471-M478 HydrophobicContact CG-CE 4.13Å; P471-M478 HydrophobicContact CG-SD 3.95Å; P471-R565 PolarHBondContact O-NE 2.96Å; P471-R565 PolarHBondContact O-NH2 3.48Å
472	K	73.9	Confident	85.6	Confident	88 Å²	88	46.5 Å²	46.5	38%	0.383	23%	0.227	S	C	.	.	S	Bend	trans	-90.1	110.1	178.9	-173.6	170	-165.6	155.7	0	110.2	V470 S474 N477 E479	V470-K472 PolarHBondContact O-N 2.81Å; K472-S474 PolarHBondContact O-N 3.49Å; K472-N477 PolarHBondContact N-O 3.05Å; K472-N477 WeakPolarHBondContact O-CB 3.03Å; K472-N477 PolarHBondContact O-ND2 2.82Å; K472-E479 HydrophobicContact CB-CB 4.18Å; K472-E479 HydrophobicContact CD-CB 4.33Å; K472-E479 WeakPolarHBondContact CD-OE1 3.46Å; K472-E479 WeakPolarHBondContact CE-OE1 3.36Å; K472-E479 IonicContact NZ-OE1 3.7Å; K472-E479 PolarHBondContact NZ-OE1 2.8Å
473	E	68.9	Low	85.6	Confident	163 Å²	163	46.8 Å²	46.8	76%	0.762	23%	0.228	S	C	*	.	S	Bend	trans	63.1	-60.4	-172.6	-60.8	148.1	-142.4	0	0	113.1	R565	E473-R565 PolarHBondContact O-NH2 2.82Å
474	S	65.6	Low	85.6	Confident	55 Å²	55	46.2 Å²	46.2	39%	0.385	23%	0.225	S	C	.	.	S	Bend	trans	-121.9	163.6	178.9	76.9	0	0	0	0	113.1	K472 N476 N477	K472-S474 PolarHBondContact O-N 3.49Å; S474-N476 PolarHBondContact O-N 3.24Å; S474-N476 PolarHBondContact OG-N 3.07Å; S474-N477 PolarHBondContact O-N 2.88Å
475	W	63.9	Low	85.4	Confident	200 Å²	200	46.4 Å²	46.4	76%	0.758	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-11.7	174.1	-65.5	99.3	0	0	0	114.5	P471	P471-W475 HydrophobicContact CB-CD2 4.29Å; P471-W475 HydrophobicContact CB-CE3 4.02Å; P471-W475 HydrophobicContact CB-CZ3 4.36Å; P471-W475 HydrophobicContact CG-CD2 4.18Å; P471-W475 HydrophobicContact CG-CE3 3.49Å; P471-W475 VanDerWaalsContact CG-CE3 3.49Å; P471-W475 HydrophobicContact CG-CH2 3.99Å; P471-W475 HydrophobicContact CG-CZ3 3.39Å
476	N	64.9	Low	85.2	Confident	149 Å²	149	47 Å²	47	80%	0.797	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-10.6	178.1	-65.7	-12.9	0	0	0	112.7	S474	S474-N476 PolarHBondContact O-N 3.24Å; S474-N476 PolarHBondContact OG-N 3.07Å
477	N	74.4	Confident	84.9	Confident	76 Å²	76	49.4 Å²	49.4	41%	0.406	24%	0.24	S	C	.	.	S	Bend	trans	-122.2	101.6	-179.1	-177	21.4	0	0	0	108.8	K472 S474	K472-N477 PolarHBondContact N-O 3.05Å; K472-N477 WeakPolarHBondContact O-CB 3.03Å; K472-N477 PolarHBondContact O-ND2 2.82Å; S474-N477 PolarHBondContact O-N 2.88Å
478	M	82.9	Confident	84.5	Confident	68 Å²	68	49.5 Å²	49.5	34%	0.335	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.7	-176	-63.3	-62.9	-65.7	0	0	110.4	S469 V470 P471	S469-M478 WeakPolarHBondContact OG-CE 3.36Å; V470-M478 WeakPolarHBondContact O-CA 3.01Å; P471-M478 HydrophobicContact CB-SD 4Å; P471-M478 HydrophobicContact CG-CE 4.13Å; P471-M478 HydrophobicContact CG-SD 3.95Å
479	E	88.5	Confident	84.1	Confident	43 Å²	43	49.6 Å²	49.6	20%	0.201	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	124.6	176.6	-178.4	168.8	-95.2	0	0	110.6	S469 V470 K472 L481 R537	S469-E479 WeakPolarHBondContact CA-O 3.26Å; V470-E479 HydrophobicContact CG2-CB 3.95Å; V470-E479 PolarHBondContact N-O 2.78Å; V470-E479 PolarHBondContact O-N 3.05Å; K472-E479 HydrophobicContact CB-CB 4.18Å; K472-E479 HydrophobicContact CD-CB 4.33Å; K472-E479 WeakPolarHBondContact CD-OE1 3.46Å; K472-E479 WeakPolarHBondContact CE-OE1 3.36Å; K472-E479 IonicContact NZ-OE1 3.7Å; K472-E479 PolarHBondContact NZ-OE1 2.8Å; E479-L481 HydrophobicContact CG-CD2 3.86Å; E479-L481 HydrophobicContact CG-CG 4.3Å; E479-R537 IonicContact OE2-CZ 2.99Å; E479-R537 VanDerWaalsContact OE2-CZ 3.28Å; E479-R537 IonicContact OE2-NH1 3.74Å; E479-R537 PolarHBondContact OE2-NH1 2.88Å; E479-R537 IonicContact OE2-NH2 3.71Å; E479-R537 PolarHBondContact OE2-NH2 3.48Å
480	E	91.1	Very high	83.5	Confident	60 Å²	60	55.5 Å²	55.5	28%	0.28	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	110.9	178.3	-65.2	-174.1	-170.5	0	0	111.7	F428 V429 R430	F428-E480 WeakPolarHBondContact CA-OE1 3.45Å; F428-E480 HydrophobicContact CD2-CB 4.17Å; F428-E480 HydrophobicContact CD2-CG 4.32Å; F428-E480 WeakPolarHBondContact CD2-OE2 3.3Å; V429-E480 PolarHBondContact N-OE1 2.86Å; V429-E480 PolarHBondContact N-OE2 2.87Å; V429-E480 VanDerWaalsContact N-OE2 3.12Å; R430-E480 IonicContact NH1-OE2 2.8Å
481	L	92.6	Very high	83.3	Confident	13 Å²	13	59.9 Å²	59.9	7%	0.068	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	108.7	-177.9	-59.2	177.2	0	0	0	111.5	V467 I468 V470 E479 L483 R537	V467-L481 VanDerWaalsContact CA-O 3.3Å; V467-L481 WeakPolarHBondContact CA-O 3.15Å; I468-L481 HydrophobicContact CD1-CD1 3.99Å; I468-L481 HydrophobicContact CG1-CB 3.77Å; I468-L481 HydrophobicContact CG1-CD1 4.01Å; I468-L481 HydrophobicContact CG1-CG 4.4Å; I468-L481 PolarHBondContact N-O 2.86Å; I468-L481 PolarHBondContact O-N 3.42Å; V470-L481 HydrophobicContact CG1-CD1 4.01Å; V470-L481 HydrophobicContact CG2-CD1 3.74Å; V470-L481 HydrophobicContact CG2-CG 4.32Å; E479-L481 HydrophobicContact CG-CD2 3.86Å; E479-L481 HydrophobicContact CG-CG 4.3Å; L481-L483 HydrophobicContact CB-CD2 4.01Å; L481-R537 HydrophobicContact CD1-CB 4.45Å
482	L	95.1	Very high	83.7	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	104	169	178.3	61.3	0	0	0	109.2	P30 R31 F428 L465 V467	P30-L482 HydrophobicContact CB-CD2 3.69Å; P30-L482 HydrophobicContact CB-CG 3.78Å; P30-L482 HydrophobicContact CG-CD2 4.33Å; R31-L482 PolarHBondContact N-O 2.7Å; F428-L482 HydrophobicContact CZ-CB 4.47Å; F428-L482 HydrophobicContact CZ-CD1 4.41Å; L465-L482 HydrophobicContact CB-CD1 3.7Å; L465-L482 HydrophobicContact CD1-CD1 4.45Å; L465-L482 HydrophobicContact CD2-CD1 4.14Å; L465-L482 HydrophobicContact CG-CD1 4.31Å; V467-L482 HydrophobicContact CG2-CD1 3.6Å
483	L	94.8	Very high	84.6	Confident	6 Å²	6	57.8 Å²	57.8	3%	0.031	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-48.1	-171.7	-53.9	-179.3	0	0	0	112.2	R31 M32 K466 I468 L481 D538	R31-L483 WeakPolarHBondContact CB-O 3.22Å; M32-L483 PolarHBondContact N-O 3.09Å; K466-L483 PolarHBondContact O-N 2.82Å; I468-L483 HydrophobicContact CD1-CD1 4.24Å; I468-L483 HydrophobicContact CD1-CD2 4.49Å; I468-L483 HydrophobicContact CG1-CD1 4.25Å; I468-L483 HydrophobicContact CG1-CD2 4.43Å; I468-L483 HydrophobicContact CG1-CG 4.46Å; I468-L483 HydrophobicContact CG2-CD1 4.2Å; L481-L483 HydrophobicContact CB-CD2 4.01Å; L483-D538 HydrophobicContact CD1-CB 4.33Å
484	E	93.3	Very high	85.9	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.009	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	136.5	-177.8	-55.8	175.3	-131.2	0	0	110	M32 L465 K466 R522	M32-E484 HydrophobicContact CE-CG 4.19Å; M32-E484 CarbonylContact O-C 3.58Å; M32-E484 WeakPolarHBondContact O-CA 3.28Å; L465-E484 CarbonylContact C-O 3.59Å; L465-E484 WeakPolarHBondContact CA-O 3.5Å; K466-E484 HydrophobicContact CB-CB 3.96Å; K466-E484 HydrophobicContact CB-CG 4.46Å; K466-E484 HydrophobicContact CD-CB 4.43Å; K466-E484 HydrophobicContact CD-CG 4.05Å; K466-E484 WeakPolarHBondContact CD-OE1 3.38Å; K466-E484 WeakPolarHBondContact CE-OE1 3.5Å; K466-E484 PolarHBondContact N-O 3.08Å; K466-E484 IonicContact NZ-OE1 3.49Å; K466-E484 PolarHBondContact NZ-OE1 2.75Å; E484-R522 IonicContact OE1-NH2 2.67Å; E484-R522 IonicContact OE2-CZ 3.28Å; E484-R522 IonicContact OE2-NE 2.84Å; E484-R522 PolarHBondContact OE2-NE 3.25Å; E484-R522 IonicContact OE2-NH2 2.76Å; E484-R522 PolarHBondContact OE2-NH2 3.29Å
485	E	93.8	Very high	87.5	Confident	10 Å²	10	49 Å²	49	5%	0.047	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	111.3	160.5	176.4	172.3	122.5	0	0	108	P30 M32 K33 L34 Y435 L465	P30-E485 HydrophobicContact CB-CB 3.61Å; P30-E485 HydrophobicContact CG-CB 3.79Å; M32-E485 PolarHBondContact O-N 3.2Å; K33-E485 CarbonylContact C-O 3.18Å; K33-E485 VanDerWaalsContact CA-O 3.32Å; K33-E485 WeakPolarHBondContact CA-O 3.36Å; K33-E485 HydrophobicContact CD-CG 4.49Å; K33-E485 WeakPolarHBondContact CD-OE1 3.41Å; K33-E485 WeakPolarHBondContact CE-OE1 3.47Å; K33-E485 HydrophobicContact CG-CB 4.35Å; K33-E485 HydrophobicContact CG-CG 4.36Å; K33-E485 IonicContact NZ-OE1 2.74Å; K33-E485 PolarHBondContact NZ-OE1 3.2Å; L34-E485 PolarHBondContact N-O 3.22Å; Y435-E485 WeakPolarHBondContact CE1-OE2 3.41Å; Y435-E485 PolarHBondContact OH-OE2 2.82Å; L465-E485 HydrophobicContact CD2-CB 3.87Å; L465-E485 HydrophobicContact CD2-CG 3.63Å
486	L	92.7	Very high	89	Confident	11 Å²	11	41.6 Å²	41.6	6%	0.058	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.2	-174.3	173.5	64	0	0	0	110.8	L34 V46 T463 V464 V488 V518	L34-L486 HydrophobicContact CB-CD1 3.74Å; L34-L486 HydrophobicContact CD1-CD1 4.16Å; V46-L486 HydrophobicContact CG2-CD2 4.19Å; T463-L486 CarbonylContact C-O 3.47Å; T463-L486 WeakPolarHBondContact CA-O 3.5Å; T463-L486 WeakPolarHBondContact CB-O 3.28Å; V464-L486 PolarHBondContact N-O 2.76Å; V464-L486 PolarHBondContact O-N 3Å; L486-V488 HydrophobicContact CD2-CG2 4.13Å; L486-V488 HydrophobicContact CG-CG2 4.01Å; L486-V488 PolarHBondContact O-N 3.08Å; L486-V518 HydrophobicContact CD2-CG1 3.62Å; L486-V518 HydrophobicContact CD2-CG2 4.44Å
487	E	91.5	Very high	90.5	Very high	55 Å²	55	35.6 Å²	35.6	26%	0.257	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	101.5	173.1	-165.3	178	174.5	0	0	110.5	L34 S35 Y36	L34-E487 PolarHBondContact O-N 2.78Å; S35-E487 WeakPolarHBondContact CA-OE2 3.37Å; Y36-E487 VanDerWaalsContact CB-CD 3.49Å; Y36-E487 PolarHBondContact N-OE2 2.85Å
488	V	90.2	Very high	91.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	17%	0.167	C	C	.	.			trans	-86	-30.3	-170.8	-177.3	0	0	0	0	112.2	R48 G462 V464 L486 V509 A516 V518	R48-V488 PolarHBondContact NE-O 2.82Å; R48-V488 PolarHBondContact NH2-O 3.16Å; G462-V488 WeakPolarHBondContact O-CA 3.27Å; G462-V488 WeakPolarHBondContact O-CB 3.4Å; G462-V488 PolarHBondContact O-N 2.87Å; V464-V488 HydrophobicContact CB-CG2 3.96Å; V464-V488 HydrophobicContact CG2-CG2 3.72Å; L486-V488 HydrophobicContact CD2-CG2 4.13Å; L486-V488 HydrophobicContact CG-CG2 4.01Å; L486-V488 PolarHBondContact O-N 3.08Å; V488-V509 HydrophobicContact CG1-CB 4.35Å; V488-V509 HydrophobicContact CG1-CG1 4.39Å; V488-A516 HydrophobicContact CG1-CB 3.29Å; V488-V518 HydrophobicContact CG1-CG2 4.33Å
489	F	86.5	Confident	92.3	Very high	4 Å²	4	32 Å²	32	2%	0.018	17%	0.165	C	C	.	.			trans	-123.7	144.5	179.8	-62.4	-79.4	0	0	0	112.7	G462 D491 V509 S511 A516	G462-F489 PolarHBondContact O-N 2.79Å; F489-D491 VanDerWaalsContact C-N 3.31Å; F489-D491 PolarHBondContact O-N 3.11Å; F489-V509 HydrophobicContact CE2-CG1 3.97Å; F489-V509 HydrophobicContact CZ-CG1 4.45Å; F489-S511 WeakPolarHBondContact CD1-OG 3.34Å; F489-S511 VanDerWaalsContact CE1-OG 3.23Å; F489-S511 WeakPolarHBondContact CE1-OG 3.39Å; F489-S511 WeakPolarHBondContact CZ-OG 3.43Å; F489-A516 HydrophobicContact CE1-CB 4.47Å; F489-A516 HydrophobicContact CZ-CB 4.21Å
490	K	78.7	Confident	92.8	Very high	151 Å²	151	31 Å²	31	66%	0.657	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-29.7	-170.9	-173.7	179.5	172.8	-169.3	0	114.3	Y36	Y36-K490 HydrophobicContact CD1-CB 4.39Å; Y36-K490 HydrophobicContact CD1-CG 3.99Å; Y36-K490 HydrophobicContact CD2-CB 3.83Å; Y36-K490 HydrophobicContact CD2-CG 4.33Å; Y36-K490 HydrophobicContact CE1-CB 4.07Å; Y36-K490 HydrophobicContact CE1-CD 3.99Å; Y36-K490 HydrophobicContact CE1-CG 3.67Å; Y36-K490 HydrophobicContact CE2-CB 3.4Å; Y36-K490 VanDerWaalsContact CE2-CB 3.4Å; Y36-K490 HydrophobicContact CE2-CG 3.99Å; Y36-K490 HydrophobicContact CG-CB 4.32Å; Y36-K490 HydrophobicContact CG-CG 4.35Å
491	D	85.1	Confident	93.1	Very high	92 Å²	92	28.1 Å²	28.1	49%	0.492	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	8.2	-169.9	61.4	-34.1	0	0	0	112	F489 S493 T513	F489-D491 VanDerWaalsContact C-N 3.31Å; F489-D491 PolarHBondContact O-N 3.11Å; D491-S493 PolarHBondContact O-N 3.18Å; D491-S493 WeakPolarHBondContact OD1-CB 3.48Å; D491-S493 PolarHBondContact OD1-N 3.11Å; D491-S493 WeakPolarHBondContact OD2-CB 3.22Å; D491-T513 PolarHBondContact OD1-OG1 3.26Å; D491-T513 WeakPolarHBondContact OD2-CG2 3.49Å; D491-T513 PolarHBondContact OD2-OG1 2.99Å
492	A	89	Confident	93.2	Very high	39 Å²	39	30 Å²	30	32%	0.322	16%	0.161	S	C	.	.			trans	55.9	28.6	-170.6	0	0	0	0	0	113.9	K461 S494	K461-A492 CarbonylContact C-O 3.6Å; K461-A492 VanDerWaalsContact C-O 3.24Å; K461-A492 WeakPolarHBondContact CA-O 3.26Å; K461-A492 HydrophobicContact CB-CB 4.44Å; K461-A492 VanDerWaalsContact O-CA 3.27Å; K461-A492 WeakPolarHBondContact O-CA 3.37Å; K461-A492 WeakPolarHBondContact O-CB 3.18Å; A492-S494 PolarHBondContact O-N 2.9Å
493	S	93.7	Very high	93.2	Very high	14 Å²	14	37.3 Å²	37.3	10%	0.098	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-55.4	129.5	176.2	-164.9	0	0	0	0	111.3	G462 D491 V495 S511 D512 T513	G462-S493 WeakPolarHBondContact CA-O 3.49Å; G462-S493 PolarHBondContact N-O 2.79Å; D491-S493 PolarHBondContact O-N 3.18Å; D491-S493 WeakPolarHBondContact OD1-CB 3.48Å; D491-S493 PolarHBondContact OD1-N 3.11Å; D491-S493 WeakPolarHBondContact OD2-CB 3.22Å; S493-V495 PolarHBondContact O-N 2.77Å; S493-S511 WeakPolarHBondContact OG-CB 3.48Å; S493-D512 PolarHBondContact OG-N 3.15Å; S493-T513 VanDerWaalsContact CB-OG1 3.31Å; S493-T513 WeakPolarHBondContact CB-OG1 3.32Å; S493-T513 PolarHBondContact OG-OG1 3.08Å
494	S	96	Very high	93.2	Very high	34 Å²	34	40.7 Å²	40.7	24%	0.238	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-52	137.5	-178.4	-176.7	0	0	0	0	111.6	A492 I496 S511	A492-S494 PolarHBondContact O-N 2.9Å; S494-I496 PolarHBondContact O-N 3.1Å; S494-S511 VanDerWaalsContact O-CA 3.3Å; S494-S511 WeakPolarHBondContact O-CA 3.31Å; S494-S511 VanDerWaalsContact O-CB 3.24Å; S494-S511 WeakPolarHBondContact O-CB 3.36Å
495	V	97.8	Very high	93.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-70	125.1	164	179.8	0	0	0	0	108	T438 Q439 T459 V464 S493 M498 V509	T438-V495 VanDerWaalsContact CB-O 3.28Å; T438-V495 WeakPolarHBondContact CB-O 3.5Å; T438-V495 PolarHBondContact OG1-O 2.73Å; Q439-V495 HydrophobicContact CB-CG1 4.05Å; Q439-V495 HydrophobicContact CG-CG1 4.05Å; T459-V495 PolarHBondContact O-N 3.05Å; V464-V495 HydrophobicContact CG2-CG2 4.46Å; S493-V495 PolarHBondContact O-N 2.77Å; V495-M498 HydrophobicContact CG1-CG 3.63Å; V495-M498 HydrophobicContact CG1-SD 3.8Å; V495-V509 HydrophobicContact CB-CG1 4.24Å; V495-V509 HydrophobicContact CG1-CG1 3.51Å; V495-V509 HydrophobicContact CG2-CG1 3.77Å
496	I	96.2	Very high	93.4	Very high	45 Å²	45	42.6 Å²	42.6	23%	0.231	21%	0.214	C	C	.	.			trans	-122.3	-15.2	-175.7	69.2	-179.2	0	0	0	114.4	S494 G510 S511	S494-I496 PolarHBondContact O-N 3.1Å; I496-G510 PolarHBondContact N-O 3.2Å; I496-S511 VanDerWaalsContact CD1-C 3.5Å; I496-S511 WeakPolarHBondContact CD1-O 3.29Å
497	N	97	Very high	93.7	Very high	22 Å²	22	42.1 Å²	42.1	12%	0.118	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	143.9	169.9	-163.8	-55.8	0	0	0	109.9	S58 M60 Q439 Q499 G510	S58-N497 PolarHBondContact O-ND2 3.21Å; M60-N497 HydrophobicContact CG-CB 4.16Å; M60-N497 HydrophobicContact SD-CB 3.7Å; Q439-N497 VanDerWaalsContact OE1-CA 3.24Å; N497-Q499 PolarHBondContact OD1-NE2 3Å; N497-G510 PolarHBondContact N-O 3.37Å; N497-G510 PolarHBondContact O-N 2.73Å
498	M	97.8	Very high	94	Very high	9 Å²	9	39.5 Å²	39.5	4%	0.044	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	130.4	173.5	-71.8	176.9	57.4	0	0	111.5	Q439 A441 F456 G458 V495 L507 Y508 V509	Q439-M498 HydrophobicContact CB-CB 4.25Å; Q439-M498 HydrophobicContact CB-CG 3.74Å; Q439-M498 HydrophobicContact CB-SD 3.45Å; Q439-M498 WeakPolarHBondContact CB-SD 3.22Å; Q439-M498 HydrophobicContact CG-CG 4.38Å; A441-M498 HydrophobicContact CB-CE 4.2Å; F456-M498 HydrophobicContact CB-CE 3.86Å; F456-M498 WeakPolarHBondContact O-CE 3.34Å; G458-M498 PolarHBondContact N-SD 3.05Å; G458-M498 VanDerWaalsContact N-SD 3.38Å; V495-M498 HydrophobicContact CG1-CG 3.63Å; V495-M498 HydrophobicContact CG1-SD 3.8Å; M498-L507 HydrophobicContact CE-CD1 3.84Å; M498-L507 HydrophobicContact CE-CD2 3.92Å; M498-L507 HydrophobicContact CE-CG 4.36Å; M498-Y508 WeakPolarHBondContact CA-O 3.34Å; M498-V509 HydrophobicContact CG-CG1 4.32Å
499	Q	97.9	Very high	94.4	Very high	59 Å²	59	39.5 Å²	39.5	28%	0.276	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	136.4	175.9	-62.4	-60.3	-45.9	0	0	110.3	M60 L62 N497 Y508	M60-Q499 HydrophobicContact CB-CG 3.7Å; M60-Q499 HydrophobicContact CE-CB 4.33Å; M60-Q499 HydrophobicContact CE-CG 4.07Å; L62-Q499 HydrophobicContact CB-CB 4.32Å; N497-Q499 PolarHBondContact OD1-NE2 3Å; Q499-Y508 PolarHBondContact N-O 3.27Å; Q499-Y508 PolarHBondContact O-N 3.23Å
500	I	98.1	Very high	94.9	Very high	23 Å²	23	39.3 Å²	39.3	12%	0.118	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.9	-174.2	-167.9	162	0	0	0	112.7	L62 F317 A441 D443 F456 L507 L520	L62-I500 VanDerWaalsContact CD2-O 3.26Å; L62-I500 WeakPolarHBondContact CD2-O 3.31Å; F317-I500 HydrophobicContact CE2-CG2 3.86Å; F317-I500 HydrophobicContact CZ-CG2 3.86Å; A441-I500 HydrophobicContact CB-CB 3.92Å; A441-I500 HydrophobicContact CB-CD1 4.24Å; A441-I500 HydrophobicContact CB-CG2 3.96Å; D443-I500 HydrophobicContact CB-CD1 3.9Å; F456-I500 HydrophobicContact CD2-CD1 3.87Å; F456-I500 HydrophobicContact CE2-CD1 4.08Å; I500-L507 HydrophobicContact CB-CD1 4.14Å; I500-L507 HydrophobicContact CD1-CD1 4.44Å; I500-L507 HydrophobicContact CG1-CD1 4.4Å; I500-L520 HydrophobicContact CD1-CD1 4.15Å; I500-L520 HydrophobicContact CD1-CD2 3.81Å; I500-L520 HydrophobicContact CG1-CD1 4.21Å; I500-L520 HydrophobicContact CG1-CD2 4.02Å
501	S	97.4	Very high	95.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	92.9	172.2	176.4	0	0	0	0	109.2	E64 K503 R504 Q505 Q506	E64-S501 WeakPolarHBondContact OE1-CB 3.47Å; E64-S501 PolarHBondContact OE1-OG 3.48Å; S501-K503 PolarHBondContact O-N 3.08Å; S501-R504 PolarHBondContact O-N 2.91Å; S501-R504 VanDerWaalsContact OG-CB 3.22Å; S501-R504 WeakPolarHBondContact OG-CB 3.31Å; S501-R504 WeakPolarHBondContact OG-CG 3.42Å; S501-R504 PolarHBondContact OG-N 2.04Å; S501-Q505 VanDerWaalsContact O-CA 3.26Å; S501-Q505 WeakPolarHBondContact O-CA 3.36Å; S501-Q505 PolarHBondContact O-N 2.89Å; S501-Q506 PolarHBondContact N-O 3.3Å; S501-Q506 PolarHBondContact O-N 3.44Å; S501-Q506 VanDerWaalsContact O-N 3.14Å
502	S	95.1	Very high	96.3	Very high	52 Å²	52	31.1 Å²	31.1	36%	0.364	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-32.6	171.8	-52.5	0	0	0	0	111.6	D443 Q505	D443-S502 VanDerWaalsContact CG-OG 3.31Å; D443-S502 WeakPolarHBondContact OD1-CB 3.36Å; D443-S502 PolarHBondContact OD1-OG 3.49Å; S502-Q505 PolarHBondContact O-NE2 2.98Å
503	K	94.2	Very high	96.5	Very high	155 Å²	155	32 Å²	32	67%	0.674	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-48.6	178.5	-174.2	-172.3	-178.5	-176.6	0	112.7	E64 S501	E64-K503 WeakPolarHBondContact OE1-CB 3.37Å; E64-K503 WeakPolarHBondContact OE2-CD 3.38Å; E64-K503 IonicContact OE2-NZ 3.39Å; S501-K503 PolarHBondContact O-N 3.08Å
504	R	94.6	Very high	96.6	Very high	76 Å²	76	31.4 Å²	31.4	29%	0.287	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-6.6	178.8	-60.6	169	154.9	-88	2	112.9	D83 S501 Q506	D83-R504 IonicContact OD1-CZ 3.9Å; D83-R504 IonicContact OD1-NH1 2.68Å; D83-R504 PolarHBondContact OD1-NH1 3.4Å; D83-R504 IonicContact OD1-NH2 3.16Å; D83-R504 PolarHBondContact OD1-NH2 3.14Å; S501-R504 PolarHBondContact O-N 2.91Å; S501-R504 VanDerWaalsContact OG-CB 3.22Å; S501-R504 WeakPolarHBondContact OG-CB 3.31Å; S501-R504 WeakPolarHBondContact OG-CG 3.42Å; S501-R504 PolarHBondContact OG-N 2.04Å; R504-Q506 VanDerWaalsContact C-N 3.32Å; R504-Q506 HydrophobicContact CB-CG 4.3Å; R504-Q506 PolarHBondContact O-N 3.15Å
505	Q	95.4	Very high	96.6	Very high	19 Å²	19	29.8 Å²	29.8	9%	0.089	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	44.3	-174.8	-61.2	-86.1	-83.5	0	0	112.7	S501 S502 P519 L520 R550	S501-Q505 VanDerWaalsContact O-CA 3.26Å; S501-Q505 WeakPolarHBondContact O-CA 3.36Å; S501-Q505 PolarHBondContact O-N 2.89Å; S502-Q505 PolarHBondContact O-NE2 2.98Å; Q505-P519 WeakPolarHBondContact O-CA 3.34Å; Q505-L520 HydrophobicContact CB-CD1 4.46Å; Q505-L520 PolarHBondContact O-N 3.13Å; Q505-L520 VanDerWaalsContact O-N 3.12Å; Q505-R550 VanDerWaalsContact CG-NH2 3.26Å; Q505-R550 VanDerWaalsContact OE1-CZ 3.3Å
506	Q	97.1	Very high	96.5	Very high	34 Å²	34	29.8 Å²	29.8	16%	0.159	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	140	177.5	-58.6	-57.3	-43.4	0	0	110.7	S501 R504 Y508 Q517	S501-Q506 PolarHBondContact N-O 3.3Å; S501-Q506 PolarHBondContact O-N 3.44Å; S501-Q506 VanDerWaalsContact O-N 3.14Å; R504-Q506 VanDerWaalsContact C-N 3.32Å; R504-Q506 HydrophobicContact CB-CG 4.3Å; R504-Q506 PolarHBondContact O-N 3.15Å; Q506-Y508 HydrophobicContact CB-CE1 4.41Å; Q506-Y508 HydrophobicContact CB-CE2 3.73Å; Q506-Y508 WeakPolarHBondContact CB-OH 3.44Å; Q506-Q517 HydrophobicContact CB-CG 4.38Å; Q506-Q517 HydrophobicContact CG-CG 4.31Å
507	L	98.3	Very high	96.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	136.8	164.8	179.5	72.6	0	0	0	107.9	A441 F456 V464 M498 I500 V509 V518 L520	A441-L507 HydrophobicContact CB-CD1 3.91Å; F456-L507 HydrophobicContact CB-CD1 4.42Å; F456-L507 HydrophobicContact CB-CD2 3.98Å; F456-L507 HydrophobicContact CD1-CD2 4.08Å; F456-L507 HydrophobicContact CG-CD2 4.19Å; V464-L507 HydrophobicContact CG1-CD2 3.98Å; M498-L507 HydrophobicContact CE-CD1 3.84Å; M498-L507 HydrophobicContact CE-CD2 3.92Å; M498-L507 HydrophobicContact CE-CG 4.36Å; I500-L507 HydrophobicContact CB-CD1 4.14Å; I500-L507 HydrophobicContact CD1-CD1 4.44Å; I500-L507 HydrophobicContact CG1-CD1 4.4Å; L507-V509 HydrophobicContact CD2-CG2 3.84Å; L507-V509 HydrophobicContact CG-CG2 3.84Å; L507-V518 HydrophobicContact CB-CB 4.35Å; L507-V518 WeakPolarHBondContact CB-O 3.47Å; L507-V518 PolarHBondContact N-O 2.95Å; L507-V518 PolarHBondContact O-N 3.49Å; L507-L520 HydrophobicContact CB-CD2 3.73Å
508	Y	98.3	Very high	96.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.3	175.5	-56.1	-86.7	0	0	0	108.1	L62 L69 L82 I85 M498 Q499 Q506 A516 Q517	L62-Y508 HydrophobicContact CD1-CD2 4.23Å; L62-Y508 HydrophobicContact CD1-CE2 3.91Å; L69-Y508 HydrophobicContact CD1-CG 4.42Å; L69-Y508 HydrophobicContact CD2-CD1 3.79Å; L69-Y508 HydrophobicContact CD2-CG 4.07Å; L82-Y508 HydrophobicContact CD2-CE1 3.88Å; L82-Y508 HydrophobicContact CD2-CE2 3.91Å; L82-Y508 VanDerWaalsContact CD2-CZ 3.48Å; L82-Y508 WeakPolarHBondContact CD2-OH 3.21Å; L82-Y508 PolarHBondContact O-OH 2.81Å; I85-Y508 HydrophobicContact CG2-CD1 4Å; I85-Y508 HydrophobicContact CG2-CE1 3.82Å; M498-Y508 WeakPolarHBondContact CA-O 3.34Å; Q499-Y508 PolarHBondContact N-O 3.27Å; Q499-Y508 PolarHBondContact O-N 3.23Å; Q506-Y508 HydrophobicContact CB-CE1 4.41Å; Q506-Y508 HydrophobicContact CB-CE2 3.73Å; Q506-Y508 WeakPolarHBondContact CB-OH 3.44Å; Y508-A516 CarbonylContact C-O 3.53Å; Y508-A516 WeakPolarHBondContact CA-O 3.37Å; Y508-Q517 HydrophobicContact CD1-CB 4.08Å; Y508-Q517 HydrophobicContact CD1-CG 4.23Å; Y508-Q517 HydrophobicContact CE1-CB 4.01Å; Y508-Q517 HydrophobicContact CE1-CG 3.72Å; Y508-Q517 VanDerWaalsContact CE1-NE2 3.34Å; Y508-Q517 PolarHBondContact OH-NE2 2.83Å; Y508-Q517 VanDerWaalsContact OH-NE2 3.07Å
509	V	98.2	Very high	96.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	119	-169.2	-170.5	0	0	0	0	108.4	V464 V488 F489 V495 M498 L507 I515 A516 V518	V464-V509 HydrophobicContact CG2-CG1 4.21Å; V464-V509 HydrophobicContact CG2-CG2 4.17Å; V488-V509 HydrophobicContact CG1-CB 4.35Å; V488-V509 HydrophobicContact CG1-CG1 4.39Å; F489-V509 HydrophobicContact CE2-CG1 3.97Å; F489-V509 HydrophobicContact CZ-CG1 4.45Å; V495-V509 HydrophobicContact CB-CG1 4.24Å; V495-V509 HydrophobicContact CG1-CG1 3.51Å; V495-V509 HydrophobicContact CG2-CG1 3.77Å; M498-V509 HydrophobicContact CG-CG1 4.32Å; L507-V509 HydrophobicContact CD2-CG2 3.84Å; L507-V509 HydrophobicContact CG-CG2 3.84Å; V509-I515 CarbonylContact O-C 3.58Å; V509-I515 VanDerWaalsContact O-CA 3.28Å; V509-I515 WeakPolarHBondContact O-CA 3.42Å; V509-A516 HydrophobicContact CB-CB 4.46Å; V509-A516 PolarHBondContact N-O 2.8Å; V509-A516 PolarHBondContact O-N 2.68Å; V509-V518 HydrophobicContact CG2-CG2 4.31Å
510	G	97.4	Very high	96.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	144.5	175.2	0	0	0	0	0	112.2	I496 N497	I496-G510 PolarHBondContact N-O 3.2Å; N497-G510 PolarHBondContact N-O 3.37Å; N497-G510 PolarHBondContact O-N 2.73Å
511	S	97	Very high	96	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.			trans	-130.4	-171.1	170.4	72.7	0	0	0	0	111.1	F57 F489 S493 S494 I496 T513 G514	F57-S511 WeakPolarHBondContact CD2-O 3.45Å; F57-S511 PolarHBondContact N-O 2.86Å; F57-S511 VanDerWaalsContact N-O 3.13Å; F489-S511 WeakPolarHBondContact CD1-OG 3.34Å; F489-S511 VanDerWaalsContact CE1-OG 3.23Å; F489-S511 WeakPolarHBondContact CE1-OG 3.39Å; F489-S511 WeakPolarHBondContact CZ-OG 3.43Å; S493-S511 WeakPolarHBondContact OG-CB 3.48Å; S494-S511 VanDerWaalsContact O-CA 3.3Å; S494-S511 WeakPolarHBondContact O-CA 3.31Å; S494-S511 VanDerWaalsContact O-CB 3.24Å; S494-S511 WeakPolarHBondContact O-CB 3.36Å; I496-S511 VanDerWaalsContact CD1-C 3.5Å; I496-S511 WeakPolarHBondContact CD1-O 3.29Å; S511-T513 VanDerWaalsContact C-N 3.32Å; S511-T513 PolarHBondContact OG-N 3.42Å; S511-T513 VanDerWaalsContact OG-N 3.08Å; S511-T513 PolarHBondContact OG-OG1 3.2Å; S511-G514 PolarHBondContact N-O 2.8Å; S511-G514 PolarHBondContact OG-N 2.73Å; S511-G514 PolarHBondContact OG-O 3.1Å
512	D	94.8	Very high	95.7	Very high	71 Å²	71	26.6 Å²	26.6	38%	0.38	13%	0.132	S	C	.	.	S	Bend	trans	-74.2	-23.6	168.6	-75.1	-41.5	0	0	0	112.9	C55 C56 S493	C55-D512 CarbonylContact C-O 3.55Å; C55-D512 WeakPolarHBondContact CA-O 3.25Å; C55-D512 VanDerWaalsContact CB-O 3.25Å; C55-D512 WeakPolarHBondContact CB-O 3.02Å; C56-D512 WeakPolarHBondContact CA-OD1 3.36Å; C56-D512 PolarHBondContact N-O 2.99Å; C56-D512 PolarHBondContact SG-OD1 3.41Å; C56-D512 VanDerWaalsContact SG-OD1 3.4Å; S493-D512 PolarHBondContact OG-N 3.15Å
513	T	94.3	Very high	95.5	Very high	58 Å²	58	24.2 Å²	24.2	36%	0.356	12%	0.115	S	C	.	.	S	Bend	trans	-100.3	-23.4	-175.9	47.2	0	0	0	0	115.1	D491 S493 S511	D491-T513 PolarHBondContact OD1-OG1 3.26Å; D491-T513 WeakPolarHBondContact OD2-CG2 3.49Å; D491-T513 PolarHBondContact OD2-OG1 2.99Å; S493-T513 VanDerWaalsContact CB-OG1 3.31Å; S493-T513 WeakPolarHBondContact CB-OG1 3.32Å; S493-T513 PolarHBondContact OG-OG1 3.08Å; S511-T513 VanDerWaalsContact C-N 3.32Å; S511-T513 PolarHBondContact OG-N 3.42Å; S511-T513 VanDerWaalsContact OG-N 3.08Å; S511-T513 PolarHBondContact OG-OG1 3.2Å
514	G	94.9	Very high	95.3	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.01	12%	0.116	C	C	.	.			trans	-175.7	-163.1	178.5	0	0	0	0	0	114.8	F49 F57 S511	F49-G514 CarbonylContact O-C 3.55Å; F49-G514 VanDerWaalsContact O-CA 3.27Å; F49-G514 WeakPolarHBondContact O-CA 3.45Å; F57-G514 VanDerWaalsContact CE2-CA 3.5Å; S511-G514 PolarHBondContact N-O 2.8Å; S511-G514 PolarHBondContact OG-N 2.73Å; S511-G514 PolarHBondContact OG-O 3.1Å
515	I	96.8	Very high	94.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.9	175.9	-54.1	152.2	0	0	0	108	R48 F49 F57 M60 L69 V71 L80 I85 V509	R48-I515 CarbonylContact C-O 3.59Å; R48-I515 VanDerWaalsContact CA-O 3.28Å; R48-I515 WeakPolarHBondContact CA-O 2.97Å; F49-I515 HydrophobicContact CD1-CD1 4.01Å; F49-I515 PolarHBondContact N-O 3.24Å; F49-I515 PolarHBondContact O-N 3.2Å; F57-I515 HydrophobicContact CB-CG1 3.94Å; F57-I515 HydrophobicContact CD1-CD1 3.79Å; F57-I515 HydrophobicContact CD1-CG1 3.93Å; F57-I515 HydrophobicContact CE1-CD1 4.34Å; F57-I515 HydrophobicContact CG-CD1 4.31Å; F57-I515 HydrophobicContact CG-CG1 3.92Å; M60-I515 HydrophobicContact CE-CG2 4.37Å; L69-I515 HydrophobicContact CD2-CG2 4.16Å; V71-I515 HydrophobicContact CB-CD1 4.17Å; V71-I515 HydrophobicContact CG1-CD1 3.98Å; V71-I515 HydrophobicContact CG2-CD1 3.83Å; L80-I515 HydrophobicContact CD1-CD1 3.54Å; I85-I515 HydrophobicContact CD1-CB 4.32Å; I85-I515 HydrophobicContact CD1-CG2 3.99Å; I85-I515 WeakPolarHBondContact CD1-O 3.36Å; V509-I515 CarbonylContact O-C 3.58Å; V509-I515 VanDerWaalsContact O-CA 3.28Å; V509-I515 WeakPolarHBondContact O-CA 3.42Å
516	A	95.4	Very high	94.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	138.1	171.9	0	0	0	0	0	111.6	R47 R48 V488 F489 Y508 V509 V518	R47-A516 CarbonylContact O-C 3.12Å; R47-A516 VanDerWaalsContact O-CA 3.29Å; R47-A516 WeakPolarHBondContact O-CA 3.38Å; R48-A516 HydrophobicContact CG-CB 4.24Å; V488-A516 HydrophobicContact CG1-CB 3.29Å; F489-A516 HydrophobicContact CE1-CB 4.47Å; F489-A516 HydrophobicContact CZ-CB 4.21Å; Y508-A516 CarbonylContact C-O 3.53Å; Y508-A516 WeakPolarHBondContact CA-O 3.37Å; V509-A516 HydrophobicContact CB-CB 4.46Å; V509-A516 PolarHBondContact N-O 2.8Å; V509-A516 PolarHBondContact O-N 2.68Å; A516-V518 HydrophobicContact CB-CG2 4.19Å
517	Q	95.9	Very high	93.9	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	122.7	166.6	173.1	175.7	52.7	0	0	107.4	V46 R47 L82 I85 Q506 Y508	V46-Q517 CarbonylContact C-O 3.55Å; V46-Q517 VanDerWaalsContact CA-O 3.26Å; V46-Q517 WeakPolarHBondContact CA-O 3.31Å; R47-Q517 HydrophobicContact CB-CB 4.39Å; R47-Q517 PolarHBondContact N-O 2.81Å; R47-Q517 PolarHBondContact O-N 3.39Å; L82-Q517 PolarHBondContact O-NE2 3.35Å; I85-Q517 HydrophobicContact CD1-CB 3.74Å; I85-Q517 HydrophobicContact CG1-CB 3.81Å; I85-Q517 HydrophobicContact CG2-CB 4.12Å; Q506-Q517 HydrophobicContact CB-CG 4.38Å; Q506-Q517 HydrophobicContact CG-CG 4.31Å; Y508-Q517 HydrophobicContact CD1-CB 4.08Å; Y508-Q517 HydrophobicContact CD1-CG 4.23Å; Y508-Q517 HydrophobicContact CE1-CB 4.01Å; Y508-Q517 HydrophobicContact CE1-CG 3.72Å; Y508-Q517 VanDerWaalsContact CE1-NE2 3.34Å; Y508-Q517 PolarHBondContact OH-NE2 2.83Å; Y508-Q517 VanDerWaalsContact OH-NE2 3.07Å
518	V	95.2	Very high	93.2	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.012	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	122.6	-170.5	176.7	0	0	0	0	109.2	V46 L486 V488 L507 V509 A516	V46-V518 HydrophobicContact CG1-CG2 4.19Å; V46-V518 HydrophobicContact CG2-CG1 4.31Å; V46-V518 HydrophobicContact CG2-CG2 4.27Å; L486-V518 HydrophobicContact CD2-CG1 3.62Å; L486-V518 HydrophobicContact CD2-CG2 4.44Å; V488-V518 HydrophobicContact CG1-CG2 4.33Å; L507-V518 HydrophobicContact CB-CB 4.35Å; L507-V518 WeakPolarHBondContact CB-O 3.47Å; L507-V518 PolarHBondContact N-O 2.95Å; L507-V518 PolarHBondContact O-N 3.49Å; V509-V518 HydrophobicContact CG2-CG2 4.31Å; A516-V518 HydrophobicContact CB-CG2 4.19Å
519	P	94.9	Very high	92.7	Very high	16 Å²	16	25.6 Å²	25.6	10%	0.104	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	147.5	174.5	-21.6	30.5	0	0	0	112.2	Q505 H521 R522	Q505-P519 WeakPolarHBondContact O-CA 3.34Å; P519-H521 PolarHBondContact O-N 3.21Å; P519-R522 PolarHBondContact O-NH1 3.06Å; P519-R522 PolarHBondContact O-NH2 3.05Å
520	L	96.1	Very high	92.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-70.8	-18.8	177	-56.1	-176.9	0	0	0	113.2	F456 K466 I500 Q505 L507 Y540	F456-L520 HydrophobicContact CD2-CD2 4.41Å; F456-L520 HydrophobicContact CE1-CD2 4.15Å; F456-L520 HydrophobicContact CE2-CD2 3.86Å; F456-L520 HydrophobicContact CZ-CB 3.84Å; F456-L520 HydrophobicContact CZ-CD2 3.72Å; F456-L520 HydrophobicContact CZ-CG 4.29Å; K466-L520 PolarHBondContact NZ-O 2.99Å; I500-L520 HydrophobicContact CD1-CD1 4.15Å; I500-L520 HydrophobicContact CD1-CD2 3.81Å; I500-L520 HydrophobicContact CG1-CD1 4.21Å; I500-L520 HydrophobicContact CG1-CD2 4.02Å; Q505-L520 HydrophobicContact CB-CD1 4.46Å; Q505-L520 PolarHBondContact O-N 3.13Å; Q505-L520 VanDerWaalsContact O-N 3.12Å; L507-L520 HydrophobicContact CB-CD2 3.73Å; L520-Y540 HydrophobicContact CB-CE1 4.03Å; L520-Y540 HydrophobicContact CB-CE2 4.08Å; L520-Y540 HydrophobicContact CD1-CE1 4.34Å; L520-Y540 WeakPolarHBondContact CD1-OH 3.36Å
521	H	93.8	Very high	91.8	Very high	60 Å²	60	26.7 Å²	26.7	28%	0.278	15%	0.15	S	C	.	.			trans	-141.4	150.8	-178.4	67	76.1	0	0	0	113.1	P519 C523 Y540	P519-H521 PolarHBondContact O-N 3.21Å; H521-C523 PolarHBondContact CE1-N 3.48Å; H521-C523 PolarHBondContact CE1-SG 3.3Å; H521-Y540 VanDerWaalsContact CB-CB 3.41Å; H521-Y540 HydrophobicContact CB-CD1 4.47Å; H521-Y540 HydrophobicContact CB-CD2 4.19Å; H521-Y540 HydrophobicContact CB-CG 3.82Å
522	R	91.4	Very high	91.3	Very high	13 Å²	13	28.1 Å²	28.1	5%	0.049	16%	0.157	C	C	.	.			trans	-133.4	39.3	-179.8	-88.5	164.5	-73.3	-69.2	-12.1	112	H44 E484 P519 S524 V525	H44-R522 HydrophobicContact CB-CG 4Å; E484-R522 IonicContact OE1-NH2 2.67Å; E484-R522 IonicContact OE2-CZ 3.28Å; E484-R522 IonicContact OE2-NE 2.84Å; E484-R522 PolarHBondContact OE2-NE 3.25Å; E484-R522 IonicContact OE2-NH2 2.76Å; E484-R522 PolarHBondContact OE2-NH2 3.29Å; P519-R522 PolarHBondContact O-NH1 3.06Å; P519-R522 PolarHBondContact O-NH2 3.05Å; R522-S524 PolarHBondContact O-N 3.41Å; R522-V525 HydrophobicContact CB-CG2 3.98Å; R522-V525 VanDerWaalsContact O-CB 3.29Å; R522-V525 WeakPolarHBondContact O-CB 3.36Å; R522-V525 WeakPolarHBondContact O-CG2 3.1Å; R522-V525 PolarHBondContact O-N 2.79Å
523	C	92.4	Very high	91.2	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.014	14%	0.141	C	C	.	.	H	α-helix	trans	-47.1	-37.3	-168.2	-48.3	0	0	0	0	115.7	H521 V525 Y526 C541 C548 T549	H521-C523 PolarHBondContact CE1-N 3.48Å; H521-C523 PolarHBondContact CE1-SG 3.3Å; C523-V525 PolarHBondContact O-N 3.38Å; C523-Y526 WeakPolarHBondContact O-CB 3.29Å; C523-Y526 WeakPolarHBondContact O-CD2 3.46Å; C523-Y526 PolarHBondContact O-N 2.89Å; C523-Y526 VanDerWaalsContact O-N 3.14Å; C523-C541 WeakPolarHBondContact CA-SG 3.46Å; C523-C541 HydrophobicContact CB-CB 3.68Å; C523-C541 WeakPolarHBondContact CB-SG 3.01Å; C523-C541 VanDerWaalsContact SG-CA 3.5Å; C523-C541 WeakPolarHBondContact SG-CB 3.39Å; C523-C541 CovalentContact SG-SG 2.03Å; C523-C541 PolarHBondContact SG-SG 2.98Å; C523-C548 CarbonylContact C-O 3.51Å; C523-C548 VanDerWaalsContact C-O 3.3Å; C523-C548 WeakPolarHBondContact CB-O 3.38Å; C523-C548 WeakPolarHBondContact O-CB 3.46Å; C523-T549 PolarHBondContact SG-O 3.25Å
524	S	88.6	Confident	91	Very high	99 Å²	99	22.6 Å²	22.6	69%	0.692	13%	0.125	S	C	*	.	H	α-helix	trans	-62.3	-21.9	177.7	48.5	0	0	0	0	114.7	R522 G527 C548	R522-S524 PolarHBondContact O-N 3.41Å; S524-G527 PolarHBondContact O-N 2.74Å; S524-C548 PolarHBondContact N-O 2.65Å
525	V	87.3	Confident	90.9	Very high	30 Å²	30	22.6 Å²	22.6	18%	0.182	13%	0.125	C	C	.	.	H	α-helix	trans	-68.8	-35.6	175.3	178.6	0	0	0	0	111.2	M32 R522 C523 G527	M32-V525 HydrophobicContact CE-CG1 4.02Å; M32-V525 HydrophobicContact SD-CG1 4.07Å; R522-V525 HydrophobicContact CB-CG2 3.98Å; R522-V525 VanDerWaalsContact O-CB 3.29Å; R522-V525 WeakPolarHBondContact O-CB 3.36Å; R522-V525 WeakPolarHBondContact O-CG2 3.1Å; R522-V525 PolarHBondContact O-N 2.79Å; C523-V525 PolarHBondContact O-N 3.38Å; V525-G527 VanDerWaalsContact C-N 3.31Å; V525-G527 PolarHBondContact O-N 2.99Å
526	Y	87.8	Confident	90.7	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-60.8	-42.2	175.9	-58	-55.5	0	0	0	110.9	M32 C523 E532 A536 D538 C541 K607	M32-Y526 HydrophobicContact CE-CD1 3.78Å; M32-Y526 HydrophobicContact CE-CE1 3.23Å; M32-Y526 HydrophobicContact SD-CD1 3.61Å; M32-Y526 HydrophobicContact SD-CE1 3.56Å; M32-Y526 VanDerWaalsContact SD-CE1 3.56Å; C523-Y526 WeakPolarHBondContact O-CB 3.29Å; C523-Y526 WeakPolarHBondContact O-CD2 3.46Å; C523-Y526 PolarHBondContact O-N 2.89Å; C523-Y526 VanDerWaalsContact O-N 3.14Å; Y526-E532 WeakPolarHBondContact O-CB 3.5Å; Y526-A536 HydrophobicContact CD1-CB 3.53Å; Y526-A536 HydrophobicContact CD2-CB 3.73Å; Y526-A536 HydrophobicContact CE1-CB 3.57Å; Y526-A536 HydrophobicContact CE2-CB 3.81Å; Y526-A536 HydrophobicContact CG-CB 3.62Å; Y526-D538 HydrophobicContact CE2-CB 3.87Å; Y526-D538 WeakPolarHBondContact CE2-OD2 3.32Å; Y526-D538 PolarHBondContact OH-OD2 2.83Å; Y526-C541 HydrophobicContact CD2-CB 4.32Å; Y526-C541 HydrophobicContact CE2-CB 4.13Å; Y526-K607 WeakPolarHBondContact O-CD 3.07Å; Y526-K607 PolarHBondContact O-NZ 3.44Å
527	G	83.3	Confident	90.6	Very high	9 Å²	9	23.2 Å²	23.2	9%	0.093	13%	0.128	C	C	.	.			trans	128.3	-146.3	161.2	0	0	0	0	0	116.2	S524 V525 C548	S524-G527 PolarHBondContact O-N 2.74Å; V525-G527 VanDerWaalsContact C-N 3.31Å; V525-G527 PolarHBondContact O-N 2.99Å; G527-C548 WeakPolarHBondContact O-CB 3.39Å; G527-C548 PolarHBondContact O-N 3.39Å
528	K	84.4	Confident	90.6	Very high	164 Å²	164	23.3 Å²	23.3	71%	0.713	13%	0.128	S	C	*	.	S	Bend	trans	-120.2	19.6	-171.6	-67.8	-169.3	178.2	-174.8	0	113.2	E532 W543 H585	K528-E532 PolarHBondContact N-OE2 3.14Å; K528-W543 VanDerWaalsContact C-CZ3 3.41Å; K528-W543 VanDerWaalsContact O-CH2 3.26Å; K528-W543 WeakPolarHBondContact O-CH2 3.04Å; K528-H585 PolarHBondContact O-CE1 3.41Å; K528-H585 VanDerWaalsContact O-CE1 3.23Å
529	A	86	Confident	90.7	Very high	10 Å²	10	23.2 Å²	23.2	8%	0.083	13%	0.128	C	C	.	.	S	Bend	trans	-117.3	144.9	170	0	0	0	0	0	111.7	A531 E532 C533 H585	A529-A531 VanDerWaalsContact C-N 3.31Å; A529-A531 PolarHBondContact O-N 3.33Å; A529-E532 HydrophobicContact CB-CB 4.28Å; A529-E532 HydrophobicContact CB-CG 3.93Å; A529-E532 PolarHBondContact O-N 3.02Å; A529-C533 PolarHBondContact O-N 3.44Å; A529-H585 WeakPolarHBondContact CA-NE2 3.44Å; A529-H585 VanDerWaalsContact CB-NE2 3.34Å; A529-H585 WeakPolarHBondContact CB-NE2 3.39Å
530	C	88.1	Confident	90.7	Very high	11 Å²	11	22.7 Å²	22.7	7%	0.074	12%	0.124	C	C	.	.	H	α-helix	trans	-59.9	-42.8	178.1	-179.4	0	0	0	0	111.4	C533 C534 W543 R561 C573	C530-C533 PolarHBondContact O-N 2.91Å; C530-C534 PolarHBondContact O-N 2.78Å; C530-W543 HydrophobicContact CB-CD2 3.83Å; C530-W543 HydrophobicContact CB-CE3 4.35Å; C530-W543 HydrophobicContact CB-CG 4Å; C530-W543 HydrophobicContact CB-CZ2 4.37Å; C530-R561 VanDerWaalsContact SG-CD 3.54Å; C530-C573 HydrophobicContact CB-CB 3.83Å; C530-C573 WeakPolarHBondContact CB-SG 3.4Å; C530-C573 WeakPolarHBondContact SG-CB 3.42Å; C530-C573 CovalentContact SG-SG 2.04Å; C530-C573 PolarHBondContact SG-SG 3.45Å
531	A	88.6	Confident	90.7	Very high	11 Å²	11	22.8 Å²	22.8	9%	0.091	12%	0.124	C	C	.	.	H	α-helix	trans	-64.8	-44.6	178.8	0	0	0	0	0	113.1	A529 C533 C534 L535 P569 F663	A529-A531 VanDerWaalsContact C-N 3.31Å; A529-A531 PolarHBondContact O-N 3.33Å; A531-C533 PolarHBondContact O-N 2.52Å; A531-C534 PolarHBondContact O-N 3.4Å; A531-C534 VanDerWaalsContact O-N 3.15Å; A531-L535 WeakPolarHBondContact O-CB 3.34Å; A531-L535 VanDerWaalsContact O-CG 3.31Å; A531-L535 WeakPolarHBondContact O-CG 3.1Å; A531-L535 PolarHBondContact O-N 3.15Å; A531-P569 HydrophobicContact CB-CB 3.72Å; A531-P569 HydrophobicContact CB-CG 3.98Å; A531-F663 HydrophobicContact CB-CD1 4.29Å; A531-F663 HydrophobicContact CB-CE1 3.41Å; A531-F663 VanDerWaalsContact CB-CE1 3.41Å; A531-F663 HydrophobicContact CB-CZ 3.59Å
532	E	87.8	Confident	90.7	Very high	31 Å²	31	20 Å²	20	15%	0.145	11%	0.112	C	C	.	.	H	α-helix	trans	-57.4	-36	176.3	-68.7	-175.3	131.3	0	0	112.7	Y526 K528 A529 A536 K607	Y526-E532 WeakPolarHBondContact O-CB 3.5Å; K528-E532 PolarHBondContact N-OE2 3.14Å; A529-E532 HydrophobicContact CB-CB 4.28Å; A529-E532 HydrophobicContact CB-CG 3.93Å; A529-E532 PolarHBondContact O-N 3.02Å; E532-A536 PolarHBondContact O-N 2.76Å; E532-K607 WeakPolarHBondContact OE1-CE 3.38Å; E532-K607 IonicContact OE1-NZ 2.69Å; E532-K607 PolarHBondContact OE1-NZ 3.05Å; E532-K607 IonicContact OE2-NZ 2.72Å; E532-K607 PolarHBondContact OE2-NZ 3Å
533	C	91.6	Very high	90.7	Very high	8 Å²	8	20.2 Å²	20.2	5%	0.054	11%	0.113	C	C	.	.	H	α-helix	trans	-78.7	-33.1	178.3	-163.7	0	0	0	0	113	A529 C530 A531 A536 W543 C548	A529-C533 PolarHBondContact O-N 3.44Å; C530-C533 PolarHBondContact O-N 2.91Å; A531-C533 PolarHBondContact O-N 2.52Å; C533-A536 WeakPolarHBondContact O-CB 3.35Å; C533-W543 HydrophobicContact CB-CB 4.2Å; C533-W543 HydrophobicContact CB-CE3 4.33Å; C533-W543 PolarHBondContact SG-N 3.07Å; C533-C548 VanDerWaalsContact CA-SG 3.54Å; C533-C548 HydrophobicContact CB-CB 3.53Å; C533-C548 WeakPolarHBondContact CB-SG 3.31Å; C533-C548 WeakPolarHBondContact SG-CA 3.26Å; C533-C548 WeakPolarHBondContact SG-CB 3.29Å; C533-C548 CovalentContact SG-SG 2.03Å; C533-C548 PolarHBondContact SG-SG 2.79Å
534	C	91.3	Very high	90.4	Very high	4 Å²	4	21.1 Å²	21.1	3%	0.027	12%	0.117	C	C	.	.	H	α-helix	trans	-69.2	-50.4	174.9	-169.4	0	0	0	0	111.3	C530 A531 A536 R537 D568 P569 L572	C530-C534 PolarHBondContact O-N 2.78Å; A531-C534 PolarHBondContact O-N 3.4Å; A531-C534 VanDerWaalsContact O-N 3.15Å; C534-A536 PolarHBondContact O-N 2.67Å; C534-R537 PolarHBondContact O-N 3.23Å; C534-R537 VanDerWaalsContact O-N 3.1Å; C534-D568 VanDerWaalsContact SG-C 3.52Å; C534-D568 PolarHBondContact SG-O 3.34Å; C534-P569 HydrophobicContact CB-CG 4.28Å; C534-L572 HydrophobicContact CB-CD2 4.16Å; C534-L572 WeakPolarHBondContact SG-CD2 3.45Å
535	L	91.9	Very high	90.2	Very high	2 Å²	2	18 Å²	18	1%	0.01	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-17.4	178.8	-68.3	166.1	0	0	0	113.2	R31 A531 R537 P569 E660 H661 F663	R31-L535 PolarHBondContact NE-O 3.12Å; R31-L535 VanDerWaalsContact NE-O 3.12Å; A531-L535 WeakPolarHBondContact O-CB 3.34Å; A531-L535 VanDerWaalsContact O-CG 3.31Å; A531-L535 WeakPolarHBondContact O-CG 3.1Å; A531-L535 PolarHBondContact O-N 3.15Å; L535-R537 VanDerWaalsContact C-N 3.29Å; L535-R537 PolarHBondContact O-N 3.38Å; L535-P569 HydrophobicContact CD1-CG 4.24Å; L535-P569 HydrophobicContact CD2-CG 3.94Å; L535-P569 HydrophobicContact CG-CG 3.77Å; L535-E660 HydrophobicContact CD1-CB 4.3Å; L535-E660 HydrophobicContact CD2-CB 4.24Å; L535-E660 HydrophobicContact CD2-CG 4.16Å; L535-H661 HydrophobicContact CD2-CB 4.29Å; L535-F663 HydrophobicContact CD1-CD1 3.94Å; L535-F663 HydrophobicContact CD2-CB 4.48Å
536	A	92.9	Very high	90.1	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.008	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-30.1	174.9	0	0	0	0	0	113.9	Y526 E532 C533 C534 D538	Y526-A536 HydrophobicContact CD1-CB 3.53Å; Y526-A536 HydrophobicContact CD2-CB 3.73Å; Y526-A536 HydrophobicContact CE1-CB 3.57Å; Y526-A536 HydrophobicContact CE2-CB 3.81Å; Y526-A536 HydrophobicContact CG-CB 3.62Å; E532-A536 PolarHBondContact O-N 2.76Å; C533-A536 WeakPolarHBondContact O-CB 3.35Å; C534-A536 PolarHBondContact O-N 2.67Å; A536-D538 HydrophobicContact CB-CB 4.44Å; A536-D538 PolarHBondContact O-N 2.79Å
537	R	94.1	Very high	90.2	Very high	11 Å²	11	22.7 Å²	22.7	4%	0.042	13%	0.131	C	C	.	.			trans	47.3	30.2	-178	-62.1	171.4	77.9	-171.2	2.5	113.6	I468 E479 L481 C534 L535 P539 V564 R565	I468-R537 VanDerWaalsContact CD1-O 3.3Å; I468-R537 WeakPolarHBondContact CD1-O 3.32Å; E479-R537 IonicContact OE2-CZ 2.99Å; E479-R537 VanDerWaalsContact OE2-CZ 3.28Å; E479-R537 IonicContact OE2-NH1 3.74Å; E479-R537 PolarHBondContact OE2-NH1 2.88Å; E479-R537 IonicContact OE2-NH2 3.71Å; E479-R537 PolarHBondContact OE2-NH2 3.48Å; L481-R537 HydrophobicContact CD1-CB 4.45Å; C534-R537 PolarHBondContact O-N 3.23Å; C534-R537 VanDerWaalsContact O-N 3.1Å; L535-R537 VanDerWaalsContact C-N 3.29Å; L535-R537 PolarHBondContact O-N 3.38Å; R537-P539 WeakPolarHBondContact O-CD 3.31Å; R537-V564 PolarHBondContact NE-O 3.25Å; R537-R565 PolarHBondContact NH2-O 2.95Å
538	D	95.8	Very high	90.6	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.016	13%	0.127	C	C	.	.			trans	-92.1	115.2	-176.2	-175.1	-11.2	0	0	0	110.2	K466 L483 Y526 A536 Y540 C541 Q562	K466-D538 WeakPolarHBondContact CE-OD1 3.07Å; K466-D538 IonicContact NZ-OD1 3.97Å; K466-D538 PolarHBondContact NZ-OD1 3.4Å; K466-D538 IonicContact NZ-OD2 3.54Å; K466-D538 PolarHBondContact NZ-OD2 3.29Å; L483-D538 HydrophobicContact CD1-CB 4.33Å; Y526-D538 HydrophobicContact CE2-CB 3.87Å; Y526-D538 WeakPolarHBondContact CE2-OD2 3.32Å; Y526-D538 PolarHBondContact OH-OD2 2.83Å; A536-D538 HydrophobicContact CB-CB 4.44Å; A536-D538 PolarHBondContact O-N 2.79Å; D538-Y540 PolarHBondContact O-N 3.04Å; D538-Y540 VanDerWaalsContact O-N 3.08Å; D538-Y540 WeakPolarHBondContact OD1-CD2 3.39Å; D538-Y540 PolarHBondContact OD1-N 2.92Å; D538-C541 HydrophobicContact CB-CB 4.1Å; D538-C541 PolarHBondContact O-N 3.47Å; D538-C541 PolarHBondContact OD2-SG 2.96Å; D538-C541 VanDerWaalsContact OD2-SG 3.4Å; D538-Q562 PolarHBondContact O-NE2 3.25Å
539	P	96	Very high	91	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-26	-176.1	-26.3	35.7	0	0	0	114	V445 A447 Y452 V454 I468 R537 C541 Q562 V564	V445-P539 HydrophobicContact CB-CB 4.05Å; V445-P539 HydrophobicContact CG1-CB 3.87Å; A447-P539 HydrophobicContact CB-CB 4.43Å; Y452-P539 HydrophobicContact CD2-CB 4.25Å; Y452-P539 HydrophobicContact CD2-CG 4.15Å; Y452-P539 HydrophobicContact CG-CG 4.06Å; V454-P539 HydrophobicContact CG2-CB 4.34Å; V454-P539 HydrophobicContact CG2-CG 4Å; I468-P539 HydrophobicContact CD1-CG 4.17Å; I468-P539 HydrophobicContact CG2-CG 4.09Å; R537-P539 WeakPolarHBondContact O-CD 3.31Å; P539-C541 VanDerWaalsContact C-N 3.29Å; P539-C541 PolarHBondContact O-N 2.99Å; P539-Q562 PolarHBondContact O-NE2 3.2Å; P539-V564 HydrophobicContact CB-CG2 4.34Å; P539-V564 HydrophobicContact CG-CG1 4.06Å; P539-V564 HydrophobicContact CG-CG2 4.23Å
540	Y	96.3	Very high	91.3	Very high	5 Å²	5	20.5 Å²	20.5	2%	0.02	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-10.4	176.6	-64.2	-78.1	0	0	0	114.2	D443 V445 V454 F456 L520 H521 D538 R550 Y551	D443-Y540 VanDerWaalsContact CB-OH 3.23Å; D443-Y540 WeakPolarHBondContact CB-OH 3.31Å; D443-Y540 WeakPolarHBondContact OD2-CE1 3.37Å; D443-Y540 PolarHBondContact OD2-OH 2.8Å; V445-Y540 HydrophobicContact CB-CE1 4.46Å; V445-Y540 HydrophobicContact CG1-CD1 3.95Å; V445-Y540 HydrophobicContact CG1-CE1 4.12Å; V445-Y540 HydrophobicContact CG1-CG 4.39Å; V445-Y540 HydrophobicContact CG2-CD1 4.07Å; V445-Y540 HydrophobicContact CG2-CE1 3.43Å; V445-Y540 VanDerWaalsContact CG2-CE1 3.43Å; V445-Y540 HydrophobicContact CG2-CE2 3.96Å; V454-Y540 HydrophobicContact CB-CE2 4.16Å; V454-Y540 HydrophobicContact CG1-CE2 4.07Å; V454-Y540 HydrophobicContact CG2-CE2 3.95Å; F456-Y540 HydrophobicContact CE2-CE2 4.36Å; F456-Y540 AromaticContact CZ-CE2 3.89Å; F456-Y540 HydrophobicContact CZ-CE2 3.89Å; L520-Y540 HydrophobicContact CB-CE1 4.03Å; L520-Y540 HydrophobicContact CB-CE2 4.08Å; L520-Y540 HydrophobicContact CD1-CE1 4.34Å; L520-Y540 WeakPolarHBondContact CD1-OH 3.36Å; H521-Y540 VanDerWaalsContact CB-CB 3.41Å; H521-Y540 HydrophobicContact CB-CD1 4.47Å; H521-Y540 HydrophobicContact CB-CD2 4.19Å; H521-Y540 HydrophobicContact CB-CG 3.82Å; D538-Y540 PolarHBondContact O-N 3.04Å; D538-Y540 VanDerWaalsContact O-N 3.08Å; D538-Y540 WeakPolarHBondContact OD1-CD2 3.39Å; D538-Y540 PolarHBondContact OD1-N 2.92Å; Y540-R550 CarbonylContact O-C 3.59Å; Y540-R550 VanDerWaalsContact O-CA 3.28Å; Y540-R550 WeakPolarHBondContact O-CA 3.35Å; Y540-R550 WeakPolarHBondContact O-CG 3.4Å; Y540-Y551 PolarHBondContact O-N 2.8Å
541	C	94.9	Very high	91.4	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.014	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	138.8	-165.4	-59.3	0	0	0	0	113.2	C523 Y526 D538 P539 T549 Q562	C523-C541 WeakPolarHBondContact CA-SG 3.46Å; C523-C541 HydrophobicContact CB-CB 3.68Å; C523-C541 WeakPolarHBondContact CB-SG 3.01Å; C523-C541 VanDerWaalsContact SG-CA 3.5Å; C523-C541 WeakPolarHBondContact SG-CB 3.39Å; C523-C541 CovalentContact SG-SG 2.03Å; C523-C541 PolarHBondContact SG-SG 2.98Å; Y526-C541 HydrophobicContact CD2-CB 4.32Å; Y526-C541 HydrophobicContact CE2-CB 4.13Å; D538-C541 HydrophobicContact CB-CB 4.1Å; D538-C541 PolarHBondContact O-N 3.47Å; D538-C541 PolarHBondContact OD2-SG 2.96Å; D538-C541 VanDerWaalsContact OD2-SG 3.4Å; P539-C541 VanDerWaalsContact C-N 3.29Å; P539-C541 PolarHBondContact O-N 2.99Å; C541-T549 CarbonylContact C-O 3.54Å; C541-T549 VanDerWaalsContact CA-O 3.3Å; C541-T549 WeakPolarHBondContact CA-O 3.16Å; C541-Q562 WeakPolarHBondContact O-CG 3.43Å; C541-Q562 PolarHBondContact O-NE2 3.48Å
542	A	93.5	Very high	91.3	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.008	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	147	-179.2	0	0	0	0	0	111.1	T549 Y551 R560 Q562	A542-T549 PolarHBondContact N-O 3.07Å; A542-T549 PolarHBondContact O-N 3.15Å; A542-T549 VanDerWaalsContact O-O 3.13Å; A542-T549 PolarHBondContact O-OG1 2.85Å; A542-Y551 HydrophobicContact CB-CD2 4Å; A542-R560 HydrophobicContact CB-CG 3.8Å; A542-Q562 HydrophobicContact CB-CB 3.9Å; A542-Q562 HydrophobicContact CB-CG 4.4Å
543	W	91.7	Very high	90.8	Very high	19 Å²	19	27.1 Å²	27.1	7%	0.072	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	130.1	172.1	175	-99.6	0	0	0	109.2	K528 C530 C533 G545 T546 S547 R560 R561	K528-W543 VanDerWaalsContact C-CZ3 3.41Å; K528-W543 VanDerWaalsContact O-CH2 3.26Å; K528-W543 WeakPolarHBondContact O-CH2 3.04Å; C530-W543 HydrophobicContact CB-CD2 3.83Å; C530-W543 HydrophobicContact CB-CE3 4.35Å; C530-W543 HydrophobicContact CB-CG 4Å; C530-W543 HydrophobicContact CB-CZ2 4.37Å; C533-W543 HydrophobicContact CB-CB 4.2Å; C533-W543 HydrophobicContact CB-CE3 4.33Å; C533-W543 PolarHBondContact SG-N 3.07Å; W543-G545 VanDerWaalsContact CZ2-C 3.44Å; W543-G545 VanDerWaalsContact CZ2-O 3.26Å; W543-G545 WeakPolarHBondContact CZ2-O 3.39Å; W543-T546 WeakPolarHBondContact CH2-O 3.22Å; W543-S547 VanDerWaalsContact CE3-C 3.46Å; W543-R560 VanDerWaalsContact O-CA 3.23Å; W543-R560 WeakPolarHBondContact O-CA 2.97Å; W543-R560 WeakPolarHBondContact O-CG 3.25Å; W543-R561 HydrophobicContact CB-CB 4.14Å; W543-R561 PolarHBondContact N-O 2.95Å; W543-R561 PolarHBondContact O-N 2.92Å
544	D	86.8	Confident	89.6	Confident	21 Å²	21	34.9 Å²	34.9	11%	0.112	19%	0.194	C	C	.	.			trans	-101.8	-4	-173.7	90	-34.1	0	0	0	115.5	T546 S547 T549 R557	D544-T546 WeakPolarHBondContact OD1-CA 3.27Å; D544-T546 PolarHBondContact OD1-N 2.83Å; D544-T546 PolarHBondContact OD1-OG1 3.4Å; D544-S547 PolarHBondContact N-O 3.45Å; D544-S547 VanDerWaalsContact N-O 3.07Å; D544-S547 PolarHBondContact OD1-N 3.2Å; D544-T549 HydrophobicContact CB-CG2 4.09Å; D544-T549 WeakPolarHBondContact CB-OG1 3.18Å; D544-R557 IonicContact OD2-CZ 2.77Å; D544-R557 IonicContact OD2-NH1 3.56Å; D544-R557 PolarHBondContact OD2-NH1 3.13Å
545	G	84.4	Confident	88.2	Confident	32 Å²	32	37.5 Å²	37.5	33%	0.33	21%	0.21	S	C	.	.	S	Bend	trans	115.7	-28.2	-166.5	0	0	0	0	0	112.9	W543	W543-G545 VanDerWaalsContact CZ2-C 3.44Å; W543-G545 VanDerWaalsContact CZ2-O 3.26Å; W543-G545 WeakPolarHBondContact CZ2-O 3.39Å
546	T	84.4	Confident	86.4	Confident	98 Å²	98	47.7 Å²	47.7	60%	0.601	25%	0.254	S	S	*	.	S	Bend	trans	-130.7	-30.4	-172	68.6	0	0	0	0	114.3	W543 D544	W543-T546 WeakPolarHBondContact CH2-O 3.22Å; D544-T546 WeakPolarHBondContact OD1-CA 3.27Å; D544-T546 PolarHBondContact OD1-N 2.83Å; D544-T546 PolarHBondContact OD1-OG1 3.4Å
547	S	89.9	Confident	84.9	Confident	33 Å²	33	54.1 Å²	54.1	23%	0.231	28%	0.278	C	S	.	.	S	Bend	trans	-156.9	166.3	-177.9	57.1	0	0	0	0	111.8	W543 D544 T549	W543-S547 VanDerWaalsContact CE3-C 3.46Å; D544-S547 PolarHBondContact N-O 3.45Å; D544-S547 VanDerWaalsContact N-O 3.07Å; D544-S547 PolarHBondContact OD1-N 3.2Å; S547-T549 PolarHBondContact O-N 2.83Å; S547-T549 VanDerWaalsContact OG-CG2 3.28Å; S547-T549 WeakPolarHBondContact OG-CG2 3.33Å
548	C	91.7	Very high	83.4	Confident	3 Å²	3	65 Å²	65	2%	0.02	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	110.8	169.4	-159.3	0	0	0	0	109.7	C523 S524 G527 C533	C523-C548 CarbonylContact C-O 3.51Å; C523-C548 VanDerWaalsContact C-O 3.3Å; C523-C548 WeakPolarHBondContact CB-O 3.38Å; C523-C548 WeakPolarHBondContact O-CB 3.46Å; S524-C548 PolarHBondContact N-O 2.65Å; G527-C548 WeakPolarHBondContact O-CB 3.39Å; G527-C548 PolarHBondContact O-N 3.39Å; C533-C548 VanDerWaalsContact CA-SG 3.54Å; C533-C548 HydrophobicContact CB-CB 3.53Å; C533-C548 WeakPolarHBondContact CB-SG 3.31Å; C533-C548 WeakPolarHBondContact SG-CA 3.26Å; C533-C548 WeakPolarHBondContact SG-CB 3.29Å; C533-C548 CovalentContact SG-SG 2.03Å; C533-C548 PolarHBondContact SG-SG 2.79Å
549	T	92.8	Very high	81.9	Confident	37 Å²	37	70.3 Å²	70.3	23%	0.227	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	176.3	-173.9	68.7	0	0	0	0	110.8	C523 C541 A542 D544 S547 Y551	C523-T549 PolarHBondContact SG-O 3.25Å; C541-T549 CarbonylContact C-O 3.54Å; C541-T549 VanDerWaalsContact CA-O 3.3Å; C541-T549 WeakPolarHBondContact CA-O 3.16Å; A542-T549 PolarHBondContact N-O 3.07Å; A542-T549 PolarHBondContact O-N 3.15Å; A542-T549 VanDerWaalsContact O-O 3.13Å; A542-T549 PolarHBondContact O-OG1 2.85Å; D544-T549 HydrophobicContact CB-CG2 4.09Å; D544-T549 WeakPolarHBondContact CB-OG1 3.18Å; S547-T549 PolarHBondContact O-N 2.83Å; S547-T549 VanDerWaalsContact OG-CG2 3.28Å; S547-T549 WeakPolarHBondContact OG-CG2 3.33Å; T549-Y551 PolarHBondContact O-N 2.83Å
550	R	92.7	Very high	81.1	Confident	97 Å²	97	72.8 Å²	72.8	37%	0.366	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	131.7	176.3	-166.5	-166.7	174.5	-166.6	-11	110.8	Q505 Y540 L552	Q505-R550 VanDerWaalsContact CG-NH2 3.26Å; Q505-R550 VanDerWaalsContact OE1-CZ 3.3Å; Y540-R550 CarbonylContact O-C 3.59Å; Y540-R550 VanDerWaalsContact O-CA 3.28Å; Y540-R550 WeakPolarHBondContact O-CA 3.35Å; Y540-R550 WeakPolarHBondContact O-CG 3.4Å; R550-L552 PolarHBondContact O-N 2.98Å
551	Y	91.1	Very high	80.7	Confident	37 Å²	37	74.5 Å²	74.5	15%	0.145	36%	0.358	C	S	.	.			trans	-61.6	132.8	167.4	-179.2	-96.7	0	0	0	110.2	N446 A447 A448 Y540 A542 T549 P553	N446-Y551 WeakPolarHBondContact O-CD1 3.42Å; N446-Y551 WeakPolarHBondContact O-CE1 3.42Å; A447-Y551 VanDerWaalsContact C-CZ 3.47Å; A447-Y551 PolarHBondContact O-OH 2.66Å; A447-Y551 VanDerWaalsContact O-OH 3.12Å; A448-Y551 HydrophobicContact CB-CE2 4.03Å; Y540-Y551 PolarHBondContact O-N 2.8Å; A542-Y551 HydrophobicContact CB-CD2 4Å; T549-Y551 PolarHBondContact O-N 2.83Å; Y551-P553 HydrophobicContact CE1-CB 4.29Å
552	L	86.2	Confident	80.5	Confident	77 Å²	77	75.3 Å²	75.3	40%	0.403	36%	0.362	S	S	.	.			trans	-135.4	117.8	176.7	-67.9	175.3	0	0	0	108.2	R550 T555 R560	R550-L552 PolarHBondContact O-N 2.98Å; L552-T555 HydrophobicContact CB-CG2 4.17Å; L552-R560 PolarHBondContact O-NH1 3.13Å
553	P	76.9	Confident	80.4	Confident	79 Å²	79	76 Å²	76	51%	0.513	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	155.5	-179.1	25.1	-33.8	0	0	0	112	Y551 T555	Y551-P553 HydrophobicContact CE1-CB 4.29Å; P553-T555 VanDerWaalsContact C-N 3.27Å; P553-T555 PolarHBondContact O-N 3.1Å
554	N	65.4	Low	80.4	Confident	170 Å²	170	75.1 Å²	75.1	91%	0.909	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	3.1	171.9	-103.4	-4.9	0	0	0	119.5	K556	N554-K556 PolarHBondContact O-N 3.41Å
555	T	62.1	Low	80.6	Confident	60 Å²	60	78.4 Å²	78.4	37%	0.368	37%	0.373	S	S	.	.			trans	-75.7	118.3	172	71.9	0	0	0	0	110.9	L552 P553 R557 R560	L552-T555 HydrophobicContact CB-CG2 4.17Å; P553-T555 VanDerWaalsContact C-N 3.27Å; P553-T555 PolarHBondContact O-N 3.1Å; T555-R557 PolarHBondContact O-N 3.08Å; T555-R560 VanDerWaalsContact OG1-CZ 3.32Å; T555-R560 PolarHBondContact OG1-NH1 2.94Å; T555-R560 PolarHBondContact OG1-NH2 3.09Å
556	K	55.4	Low	80.8	Confident	215 Å²	215	81.7 Å²	81.7	94%	0.935	38%	0.383	S	S	*	.			trans	-68.7	40.4	-174.9	-60.5	-175.5	178.9	-179.8	0	116	N554 R558	N554-K556 PolarHBondContact O-N 3.41Å; K556-R558 PolarHBondContact O-N 3.17Å
557	R	60.8	Low	81	Confident	136 Å²	136	77 Å²	77	51%	0.513	36%	0.355	S	S	.	.			trans	-82.4	111.4	175.2	-70	-170.9	176.5	-166.1	3.8	110.2	D544 T555 F559 R560	D544-R557 IonicContact OD2-CZ 2.77Å; D544-R557 IonicContact OD2-NH1 3.56Å; D544-R557 PolarHBondContact OD2-NH1 3.13Å; T555-R557 PolarHBondContact O-N 3.08Å; R557-F559 PolarHBondContact O-N 3.13Å; R557-R560 PolarHBondContact O-N 2.94Å
558	R	61.8	Low	80.9	Confident	240 Å²	240	77.5 Å²	77.5	91%	0.906	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-19.3	179.5	-73.7	-173.9	177.5	177.8	-0.8	115	K556	K556-R558 PolarHBondContact O-N 3.17Å
559	F	64.6	Low	80.8	Confident	115 Å²	115	77.5 Å²	77.5	50%	0.504	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	4.2	-172.4	-53.1	-68	0	0	0	114.7	R557 R561	R557-F559 PolarHBondContact O-N 3.13Å; F559-R561 PolarHBondContact O-N 3.15Å
560	R	80	Confident	80.4	Confident	51 Å²	51	79.9 Å²	79.9	19%	0.192	37%	0.366	C	S	.	.			trans	-70	131.3	177.3	-175.8	173.7	-68.4	130.8	1.5	110.9	A542 W543 L552 T555 R557	A542-R560 HydrophobicContact CB-CG 3.8Å; W543-R560 VanDerWaalsContact O-CA 3.23Å; W543-R560 WeakPolarHBondContact O-CA 2.97Å; W543-R560 WeakPolarHBondContact O-CG 3.25Å; L552-R560 PolarHBondContact O-NH1 3.13Å; T555-R560 VanDerWaalsContact OG1-CZ 3.32Å; T555-R560 PolarHBondContact OG1-NH1 2.94Å; T555-R560 PolarHBondContact OG1-NH2 3.09Å; R557-R560 PolarHBondContact O-N 2.94Å
561	R	87.2	Confident	80	Confident	41 Å²	41	80.6 Å²	80.6	16%	0.155	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-131.1	129.8	179.7	-73.4	166.8	-177.7	137.7	8.6	110.4	C530 W543 F559 L572 G575	C530-R561 VanDerWaalsContact SG-CD 3.54Å; W543-R561 HydrophobicContact CB-CB 4.14Å; W543-R561 PolarHBondContact N-O 2.95Å; W543-R561 PolarHBondContact O-N 2.92Å; F559-R561 PolarHBondContact O-N 3.15Å; R561-L572 HydrophobicContact CB-CD1 4.26Å; R561-L572 HydrophobicContact CB-CD2 3.82Å; R561-L572 HydrophobicContact CB-CG 3.8Å; R561-L572 WeakPolarHBondContact CD-O 3.39Å; R561-L572 HydrophobicContact CG-CD1 4.35Å; R561-L572 HydrophobicContact CG-CG 4.04Å; R561-L572 PolarHBondContact NE-O 3.12Å; R561-G575 PolarHBondContact NH2-O 2.91Å
562	Q	91.8	Very high	79.6	Confident	20 Å²	20	81 Å²	81	9%	0.093	39%	0.385	C	S	.	.			trans	-152.7	137.5	171.8	-174.2	-176.9	38.4	0	0	108.2	A448 D538 P539 C541 A542 V564	A448-Q562 HydrophobicContact CB-CB 4.02Å; D538-Q562 PolarHBondContact O-NE2 3.25Å; P539-Q562 PolarHBondContact O-NE2 3.2Å; C541-Q562 WeakPolarHBondContact O-CG 3.43Å; C541-Q562 PolarHBondContact O-NE2 3.48Å; A542-Q562 HydrophobicContact CB-CB 3.9Å; A542-Q562 HydrophobicContact CB-CG 4.4Å; Q562-V564 HydrophobicContact CG-CG2 4.13Å
563	D	90.3	Very high	79.4	Confident	16 Å²	16	78.6 Å²	78.6	9%	0.086	38%	0.375	C	S	.	.			trans	-140.9	102.1	169.5	172	16.3	0	0	0	106.6	R565 N566 G567 D568 L572	D563-R565 PolarHBondContact OD1-N 3.1Å; D563-N566 PolarHBondContact OD1-N 2.73Å; D563-N566 PolarHBondContact OD1-ND2 3.44Å; D563-N566 WeakPolarHBondContact OD2-CB 3.22Å; D563-N566 PolarHBondContact OD2-ND2 2.96Å; D563-G567 WeakPolarHBondContact O-CA 3.32Å; D563-G567 PolarHBondContact OD1-N 3.25Å; D563-G567 PolarHBondContact OD2-N 3.28Å; D563-D568 PolarHBondContact OD2-N 2.92Å; D563-L572 HydrophobicContact CB-CD2 3.99Å
564	V	93	Very high	79.1	Confident	0 Å²	0	78.2 Å²	78.2	0%	0	37%	0.374	C	S	.	.	S	Bend	trans	-80.9	-45.1	176.8	175.3	0	0	0	0	109.4	A447 D449 Y452 I468 V470 R537 P539 Q562 N566	A447-V564 HydrophobicContact CB-CG2 3.95Å; D449-V564 PolarHBondContact OD2-N 2.92Å; Y452-V564 HydrophobicContact CD1-CG1 4.15Å; Y452-V564 HydrophobicContact CD2-CB 4.24Å; Y452-V564 HydrophobicContact CD2-CG1 3.93Å; Y452-V564 HydrophobicContact CD2-CG2 4.32Å; Y452-V564 HydrophobicContact CE1-CG1 3.81Å; Y452-V564 HydrophobicContact CE2-CB 3.55Å; Y452-V564 HydrophobicContact CE2-CG1 3.56Å; Y452-V564 HydrophobicContact CE2-CG2 3.97Å; Y452-V564 HydrophobicContact CG-CG1 4.2Å; Y452-V564 VanDerWaalsContact CZ-CG1 3.49Å; I468-V564 HydrophobicContact CD1-CG1 3.63Å; V470-V564 HydrophobicContact CG1-CG1 4.23Å; R537-V564 PolarHBondContact NE-O 3.25Å; P539-V564 HydrophobicContact CB-CG2 4.34Å; P539-V564 HydrophobicContact CG-CG1 4.06Å; P539-V564 HydrophobicContact CG-CG2 4.23Å; Q562-V564 HydrophobicContact CG-CG2 4.13Å; V564-N566 PolarHBondContact O-N 3.2Å
565	R	89.7	Confident	78.5	Confident	90 Å²	90	73.6 Å²	73.6	34%	0.34	37%	0.366	S	S	.	.	S	Bend	trans	-60.1	-45.9	-171.2	-169.5	174.3	-176.9	-156.5	-6.4	113.4	D449 Y452 P471 E473 R537 D563	D449-R565 WeakPolarHBondContact OD2-CB 3.3Å; D449-R565 PolarHBondContact OD2-N 3.46Å; Y452-R565 PolarHBondContact OH-N 3.43Å; P471-R565 PolarHBondContact O-NE 2.96Å; P471-R565 PolarHBondContact O-NH2 3.48Å; E473-R565 PolarHBondContact O-NH2 2.82Å; R537-R565 PolarHBondContact NH2-O 2.95Å; D563-R565 PolarHBondContact OD1-N 3.1Å
566	N	88.6	Confident	77.7	Confident	101 Å²	101	72.1 Å²	72.1	54%	0.54	36%	0.364	S	S	.	.	S	Bend	trans	-111.8	-41.1	-174.8	-29.5	-85.9	0	0	0	111.5	D563 V564	D563-N566 PolarHBondContact OD1-N 2.73Å; D563-N566 PolarHBondContact OD1-ND2 3.44Å; D563-N566 WeakPolarHBondContact OD2-CB 3.22Å; D563-N566 PolarHBondContact OD2-ND2 2.96Å; V564-N566 PolarHBondContact O-N 3.2Å
567	G	89	Confident	77	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	36%	0.359	C	S	.	.			trans	76.8	26	-179.4	0	0	0	0	0	114.5	D563 P569	D563-G567 WeakPolarHBondContact O-CA 3.32Å; D563-G567 PolarHBondContact OD1-N 3.25Å; D563-G567 PolarHBondContact OD2-N 3.28Å; G567-P569 VanDerWaalsContact O-CD 3.29Å; G567-P569 WeakPolarHBondContact O-CD 3.4Å
568	D	88.3	Confident	75.7	Confident	43 Å²	43	67.7 Å²	67.7	23%	0.23	36%	0.361	C	S	.	.			trans	-82.7	116.1	-174.4	172.1	43.8	0	0	0	113.5	C534 D563 N570 T571 L572	C534-D568 VanDerWaalsContact SG-C 3.52Å; C534-D568 PolarHBondContact SG-O 3.34Å; D563-D568 PolarHBondContact OD2-N 2.92Å; D568-N570 VanDerWaalsContact C-N 3.34Å; D568-N570 PolarHBondContact O-N 3.35Å; D568-N570 VanDerWaalsContact OD1-CB 3.31Å; D568-N570 WeakPolarHBondContact OD1-CB 3.37Å; D568-N570 PolarHBondContact OD1-N 2.79Å; D568-N570 PolarHBondContact OD1-ND2 2.64Å; D568-N570 PolarHBondContact OD2-N 2.85Å; D568-T571 VanDerWaalsContact OD2-CB 3.31Å; D568-T571 WeakPolarHBondContact OD2-CB 3.47Å; D568-T571 VanDerWaalsContact OD2-CG2 3.3Å; D568-T571 WeakPolarHBondContact OD2-CG2 2.99Å; D568-T571 PolarHBondContact OD2-N 3.06Å; D568-T571 PolarHBondContact OD2-OG1 2.91Å; D568-L572 VanDerWaalsContact O-CB 3.28Å; D568-L572 WeakPolarHBondContact O-CB 3.34Å
569	P	88.4	Confident	74.5	Confident	3 Å²	3	60.8 Å²	60.8	2%	0.019	36%	0.355	C	S	.	.	H	α-helix	trans	-73.1	-23.4	174.7	-18.7	35.5	0	0	0	113.9	A531 C534 L535 G567 C573 F663	A531-P569 HydrophobicContact CB-CB 3.72Å; A531-P569 HydrophobicContact CB-CG 3.98Å; C534-P569 HydrophobicContact CB-CG 4.28Å; L535-P569 HydrophobicContact CD1-CG 4.24Å; L535-P569 HydrophobicContact CD2-CG 3.94Å; L535-P569 HydrophobicContact CG-CG 3.77Å; G567-P569 VanDerWaalsContact O-CD 3.29Å; G567-P569 WeakPolarHBondContact O-CD 3.4Å; P569-C573 VanDerWaalsContact O-CB 3.26Å; P569-C573 WeakPolarHBondContact O-CB 3.48Å; P569-C573 PolarHBondContact O-N 2.95Å; P569-F663 HydrophobicContact CB-CD1 4.37Å; P569-F663 HydrophobicContact CB-CD2 3.77Å; P569-F663 HydrophobicContact CB-CE1 4.33Å; P569-F663 HydrophobicContact CB-CE2 3.77Å; P569-F663 HydrophobicContact CB-CG 4.08Å; P569-F663 HydrophobicContact CB-CZ 4.05Å; P569-F663 HydrophobicContact CG-CB 4.06Å; P569-F663 HydrophobicContact CG-CD1 3.89Å; P569-F663 HydrophobicContact CG-CD2 3.89Å; P569-F663 HydrophobicContact CG-CE1 4.25Å; P569-F663 HydrophobicContact CG-CE2 4.28Å; P569-F663 HydrophobicContact CG-CG 3.67Å; P569-F663 HydrophobicContact CG-CZ 4.44Å
570	N	85.7	Confident	73	Confident	86 Å²	86	62.9 Å²	62.9	46%	0.46	37%	0.371	S	S	.	.	H	α-helix	trans	-68.7	-48.2	-170.1	-60.2	-75.7	0	0	0	111.5	D568 S574	D568-N570 VanDerWaalsContact C-N 3.34Å; D568-N570 PolarHBondContact O-N 3.35Å; D568-N570 VanDerWaalsContact OD1-CB 3.31Å; D568-N570 WeakPolarHBondContact OD1-CB 3.37Å; D568-N570 PolarHBondContact OD1-N 2.79Å; D568-N570 PolarHBondContact OD1-ND2 2.64Å; D568-N570 PolarHBondContact OD2-N 2.85Å; N570-S574 WeakPolarHBondContact O-CB 3.44Å; N570-S574 PolarHBondContact O-OG 2.97Å
571	T	83.1	Confident	71	Confident	113 Å²	113	65.6 Å²	65.6	69%	0.693	39%	0.389	S	S	*	.	H	α-helix	trans	-69.8	-46.8	171.9	52.5	0	0	0	0	111.4	D568	D568-T571 VanDerWaalsContact OD2-CB 3.31Å; D568-T571 WeakPolarHBondContact OD2-CB 3.47Å; D568-T571 VanDerWaalsContact OD2-CG2 3.3Å; D568-T571 WeakPolarHBondContact OD2-CG2 2.99Å; D568-T571 PolarHBondContact OD2-N 3.06Å; D568-T571 PolarHBondContact OD2-OG1 2.91Å
572	L	83.1	Confident	68.6	Low	44 Å²	44	71.2 Å²	71.2	23%	0.23	42%	0.417	C	S	.	.	H	α-helix	trans	-75.1	-39.8	-166.6	-165	72.7	0	0	0	113.9	C534 R561 D563 D568	C534-L572 HydrophobicContact CB-CD2 4.16Å; C534-L572 WeakPolarHBondContact SG-CD2 3.45Å; R561-L572 HydrophobicContact CB-CD1 4.26Å; R561-L572 HydrophobicContact CB-CD2 3.82Å; R561-L572 HydrophobicContact CB-CG 3.8Å; R561-L572 WeakPolarHBondContact CD-O 3.39Å; R561-L572 HydrophobicContact CG-CD1 4.35Å; R561-L572 HydrophobicContact CG-CG 4.04Å; R561-L572 PolarHBondContact NE-O 3.12Å; D563-L572 HydrophobicContact CB-CD2 3.99Å; D568-L572 VanDerWaalsContact O-CB 3.28Å; D568-L572 WeakPolarHBondContact O-CB 3.34Å
573	C	83.1	Confident	66.2	Low	28 Å²	28	78 Å²	78	19%	0.189	45%	0.449	C	S	.	.	H	α-helix	trans	-94.5	-15.7	-171.3	-65.2	0	0	0	0	114.9	C530 P569	C530-C573 HydrophobicContact CB-CB 3.83Å; C530-C573 WeakPolarHBondContact CB-SG 3.4Å; C530-C573 WeakPolarHBondContact SG-CB 3.42Å; C530-C573 CovalentContact SG-SG 2.04Å; C530-C573 PolarHBondContact SG-SG 3.45Å; P569-C573 VanDerWaalsContact O-CB 3.26Å; P569-C573 WeakPolarHBondContact O-CB 3.48Å; P569-C573 PolarHBondContact O-N 2.95Å
574	S	69.1	Low	64	Low	70 Å²	70	85 Å²	85	49%	0.49	48%	0.478	S	S	.	.	H	α-helix	trans	-71.4	-35.4	-172.7	-63.8	0	0	0	0	114.4	N570 G576	N570-S574 WeakPolarHBondContact O-CB 3.44Å; N570-S574 PolarHBondContact O-OG 2.97Å; S574-G576 VanDerWaalsContact C-N 3.26Å; S574-G576 PolarHBondContact O-N 3.2Å
575	G	53.1	Low	62.1	Low	73 Å²	73	90.9 Å²	90.9	75%	0.753	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	51.9	-175.4	0	0	0	0	0	114.9	R561	R561-G575 PolarHBondContact NH2-O 2.91Å
576	G	45.4	Very low	60.7	Low	30 Å²	30	98 Å²	98	31%	0.309	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.3	-0.1	-175.6	0	0	0	0	0	116.7	S574 S578	S574-G576 VanDerWaalsContact C-N 3.26Å; S574-G576 PolarHBondContact O-N 3.2Å; G576-S578 PolarHBondContact O-N 3.14Å
577	Q	41.2	Very low	60.1	Low	180 Å²	180	95.3 Å²	95.3	84%	0.841	52%	0.52	S	S	*	.			trans	-87.6	75.4	-167.1	-59.8	178.7	35.3	0	0	111.7
578	S	33.6	Very low	59.9	Low	78 Å²	78	97.8 Å²	97.8	55%	0.545	54%	0.54	S	S	.	.			trans	-67.1	130.3	156.7	45	0	0	0	0	109	G576 D580 D581	G576-S578 PolarHBondContact O-N 3.14Å; S578-D580 PolarHBondContact O-N 2.94Å; S578-D581 PolarHBondContact O-N 2.04Å; S578-D581 VanDerWaalsContact O-N 3.16Å
579	A	35.7	Very low	60	Low	94 Å²	94	103.9 Å²	103.9	78%	0.777	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-13.9	-158.2	0	0	0	0	0	116.9
580	D	33	Very low	60.2	Low	160 Å²	160	109.7 Å²	109.7	86%	0.856	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-22.9	178.5	-66.3	-60.9	0	0	0	114.5	S578 H582	S578-D580 PolarHBondContact O-N 2.94Å; D580-H582 PolarHBondContact O-N 3.38Å
581	D	37.7	Very low	60.6	Low	107 Å²	107	110.3 Å²	110.3	57%	0.572	59%	0.587	S	S	*	*			trans	-84	66.2	-176	-161.7	-2.2	0	0	0	112.2	S578 H583	S578-D581 PolarHBondContact O-N 2.04Å; S578-D581 VanDerWaalsContact O-N 3.16Å; D581-H583 PolarHBondContact O-N 3.05Å; D581-H583 VanDerWaalsContact OD1-CB 3.28Å; D581-H583 WeakPolarHBondContact OD1-CB 3.3Å; D581-H583 IonicContact OD1-CD2 3.41Å; D581-H583 PolarHBondContact OD1-CD2 3.41Å; D581-H583 VanDerWaalsContact OD1-CD2 3.26Å; D581-H583 IonicContact OD1-CG 2.78Å; D581-H583 PolarHBondContact OD1-N 2.92Å
582	H	37.3	Very low	61.1	Low	159 Å²	159	107.5 Å²	107.5	74%	0.736	57%	0.568	S	S	*	*			trans	-76.8	30.9	171.5	-106.6	-19.1	0	0	0	113.2	D580 K584	D580-H582 PolarHBondContact O-N 3.38Å; H582-K584 PolarHBondContact O-N 2.9Å
583	H	41.5	Very low	61.6	Low	163 Å²	163	112.1 Å²	112.1	76%	0.755	58%	0.583	S	S	*	*			trans	-65.5	71.3	151.9	-77.8	-53.2	0	0	0	110.9	D581 H585	D581-H583 PolarHBondContact O-N 3.05Å; D581-H583 VanDerWaalsContact OD1-CB 3.28Å; D581-H583 WeakPolarHBondContact OD1-CB 3.3Å; D581-H583 IonicContact OD1-CD2 3.41Å; D581-H583 PolarHBondContact OD1-CD2 3.41Å; D581-H583 VanDerWaalsContact OD1-CD2 3.26Å; D581-H583 IonicContact OD1-CG 2.78Å; D581-H583 PolarHBondContact OD1-N 2.92Å; H583-H585 PolarHBondContact O-N 2.8Å; H583-H585 VanDerWaalsContact O-N 3.15Å
584	K	44.6	Very low	62	Low	162 Å²	162	110.8 Å²	110.8	70%	0.704	58%	0.575	S	S	*	*			trans	-40.4	124.5	148.5	-67.5	176	178.1	176	0	106.8	H582 R586	H582-K584 PolarHBondContact O-N 2.9Å; K584-R586 PolarHBondContact O-N 3.12Å
585	H	53	Low	63.2	Low	124 Å²	124	110.4 Å²	110.4	57%	0.574	57%	0.569	S	S	*	*			trans	-57.3	101.3	159	-77.6	-41.7	0	0	0	106.1	K528 A529 H583 V587	K528-H585 PolarHBondContact O-CE1 3.41Å; K528-H585 VanDerWaalsContact O-CE1 3.23Å; A529-H585 WeakPolarHBondContact CA-NE2 3.44Å; A529-H585 VanDerWaalsContact CB-NE2 3.34Å; A529-H585 WeakPolarHBondContact CB-NE2 3.39Å; H583-H585 PolarHBondContact O-N 2.8Å; H583-H585 VanDerWaalsContact O-N 3.15Å; H585-V587 VanDerWaalsContact C-N 3.26Å; H585-V587 PolarHBondContact O-N 2.72Å
586	R	61.1	Low	65.1	Low	239 Å²	239	109 Å²	109	90%	0.902	54%	0.543	S	S	*	.			trans	-64.7	97.4	172.3	-72.9	-172.3	180	-173.4	0.1	105.3	K584 A588	K584-R586 PolarHBondContact O-N 3.12Å; R586-A588 PolarHBondContact O-N 3.23Å
587	V	75.3	Confident	67.2	Low	46 Å²	46	109.4 Å²	109.4	28%	0.279	55%	0.547	S	S	.	.			trans	-42.2	128.5	164.6	175.1	0	0	0	0	106.2	H585 E589 T666	H585-V587 VanDerWaalsContact C-N 3.26Å; H585-V587 PolarHBondContact O-N 2.72Å; V587-E589 PolarHBondContact O-N 3.02Å; V587-E589 VanDerWaalsContact O-N 3.12Å; V587-T666 HydrophobicContact CG1-CG2 3.65Å; V587-T666 HydrophobicContact CG2-CG2 4.13Å
588	A	84.2	Confident	69.6	Low	52 Å²	52	102.9 Å²	102.9	43%	0.43	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	123.5	-176	0	0	0	0	0	108.4	R586 L668 G669	R586-A588 PolarHBondContact O-N 3.23Å; A588-L668 HydrophobicContact CB-CD1 3.78Å; A588-L668 CarbonylContact O-C 3.44Å; A588-L668 WeakPolarHBondContact O-CA 3.18Å; A588-L668 WeakPolarHBondContact O-CD1 3.42Å; A588-G669 PolarHBondContact O-N 3.23Å
589	E	89.8	Confident	72.5	Confident	171 Å²	171	102.9 Å²	102.9	80%	0.799	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	123.5	178.6	-76.6	175.6	-174	0	0	109.1	V587 G669	V587-E589 PolarHBondContact O-N 3.02Å; V587-E589 VanDerWaalsContact O-N 3.12Å; E589-G669 CarbonylContact C-O 3.55Å; E589-G669 WeakPolarHBondContact CA-O 3.47Å
590	R	93.2	Very high	75.3	Confident	125 Å²	125	99.4 Å²	99.4	47%	0.472	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	146.1	171.4	-76.1	-179.7	177.1	-177.1	-4.8	109.1	E603 L668 G669 I670 T671	R590-E603 IonicContact NH1-OE2 3.08Å; R590-L668 HydrophobicContact CG-CD1 3.98Å; R590-G669 PolarHBondContact N-O 3.36Å; R590-I670 CarbonylContact O-C 3.57Å; R590-I670 VanDerWaalsContact O-CA 3.31Å; R590-I670 WeakPolarHBondContact O-CA 3.24Å; R590-T671 PolarHBondContact O-N 2.91Å
591	K	93.9	Very high	78.3	Confident	98 Å²	98	95.4 Å²	95.4	43%	0.426	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.4	167.8	-167.3	178.8	-177.2	-170.7	0	108.7	Y593 T671 E673	K591-Y593 HydrophobicContact CD-CE1 4.5Å; K591-Y593 HydrophobicContact CD-CE2 4.36Å; K591-Y593 WeakPolarHBondContact CD-OH 3.47Å; K591-Y593 VanDerWaalsContact CE-OH 3.29Å; K591-Y593 WeakPolarHBondContact CE-OH 3.44Å; K591-Y593 HydrophobicContact CG-CE2 4.45Å; K591-Y593 PolarHBondContact NZ-OH 3.25Å; K591-T671 WeakPolarHBondContact CA-O 3.22Å; K591-E673 WeakPolarHBondContact CE-OE1 3.14Å; K591-E673 WeakPolarHBondContact CE-OE2 3.27Å; K591-E673 IonicContact NZ-OE1 3.89Å; K591-E673 PolarHBondContact NZ-OE1 2.92Å; K591-E673 IonicContact NZ-OE2 3.28Å; K591-E673 PolarHBondContact NZ-OE2 3.42Å
592	L	94.5	Very high	81	Confident	54 Å²	54	90.3 Å²	90.3	28%	0.283	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	148.6	176.4	-66.9	-178	0	0	0	110	L602 I670 T671 L672 E673	L592-L602 HydrophobicContact CD1-CD2 3.92Å; L592-I670 HydrophobicContact CB-CG2 4.17Å; L592-I670 HydrophobicContact CD1-CG2 3.69Å; L592-I670 HydrophobicContact CG-CG2 3.83Å; L592-T671 PolarHBondContact N-O 2.88Å; L592-L672 HydrophobicContact CB-CD1 4.37Å; L592-L672 WeakPolarHBondContact O-CA 3.38Å; L592-E673 PolarHBondContact O-N 2.86Å
593	Y	93.7	Very high	83.7	Confident	141 Å²	141	85.6 Å²	85.6	55%	0.553	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.9	176.5	-59.9	-86.2	0	0	0	108.5	K591 E673 V675	K591-Y593 HydrophobicContact CD-CE1 4.5Å; K591-Y593 HydrophobicContact CD-CE2 4.36Å; K591-Y593 WeakPolarHBondContact CD-OH 3.47Å; K591-Y593 VanDerWaalsContact CE-OH 3.29Å; K591-Y593 WeakPolarHBondContact CE-OH 3.44Å; K591-Y593 HydrophobicContact CG-CE2 4.45Å; K591-Y593 PolarHBondContact NZ-OH 3.25Å; Y593-E673 WeakPolarHBondContact CA-O 3.46Å; Y593-E673 HydrophobicContact CD1-CB 3.92Å; Y593-E673 HydrophobicContact CE1-CB 4.15Å; Y593-E673 VanDerWaalsContact CE1-OE2 3.31Å; Y593-E673 WeakPolarHBondContact CE1-OE2 3.27Å; Y593-V675 HydrophobicContact CD1-CG2 4.42Å
594	G	91.9	Very high	86.2	Confident	1 Å²	1	78.1 Å²	78.1	1%	0.01	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	148	168.8	0	0	0	0	0	110.4	T600 E673 V674 V675	G594-T600 WeakPolarHBondContact CA-OG1 3.31Å; G594-E673 PolarHBondContact N-O 2.89Å; G594-V674 CarbonylContact O-C 3.48Å; G594-V674 WeakPolarHBondContact O-CA 3.2Å; G594-V675 PolarHBondContact O-N 2.95Å
595	V	93.1	Very high	88.3	Confident	62 Å²	62	74.4 Å²	74.4	38%	0.376	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	136.4	172.1	-177.7	0	0	0	0	108.5	G597 S598	V595-G597 PolarHBondContact O-N 2.82Å; V595-S598 PolarHBondContact N-OG 3.1Å; V595-S598 PolarHBondContact O-N 2.91Å; V595-S598 PolarHBondContact O-OG 3.07Å; V595-S598 VanDerWaalsContact O-OG 3.13Å
596	E	93.2	Very high	89.9	Confident	43 Å²	43	69.3 Å²	69.3	20%	0.201	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	123.7	177.6	-173.2	156.8	-127.7	0	0	110.4	K648 V674 V675 S677	E596-K648 WeakPolarHBondContact OE1-CD 3.38Å; E596-K648 WeakPolarHBondContact OE1-CG 3.24Å; E596-K648 PolarHBondContact OE1-N 3.49Å; E596-K648 IonicContact OE1-NZ 3.92Å; E596-K648 WeakPolarHBondContact OE2-CE 3.23Å; E596-K648 IonicContact OE2-NZ 2.65Å; E596-K648 PolarHBondContact OE2-NZ 2.9Å; E596-V674 HydrophobicContact CB-CG1 3.93Å; E596-V675 PolarHBondContact N-O 2.86Å; E596-S677 WeakPolarHBondContact O-CB 3.44Å
597	G	89.3	Confident	91	Very high	38 Å²	38	62.7 Å²	62.7	39%	0.392	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	-19.5	-172.9	0	0	0	0	0	115.7	V595 V646	V595-G597 PolarHBondContact O-N 2.82Å; G597-V646 PolarHBondContact N-O 2.81Å
598	S	93	Very high	91.6	Very high	44 Å²	44	60.7 Å²	60.7	31%	0.308	31%	0.313	S	S	.	.	S	Bend	trans	-82.6	168.6	178.3	87.7	0	0	0	0	112.6	V595 R645 V646	V595-S598 PolarHBondContact N-OG 3.1Å; V595-S598 PolarHBondContact O-N 2.91Å; V595-S598 PolarHBondContact O-OG 3.07Å; V595-S598 VanDerWaalsContact O-OG 3.13Å; S598-R645 CarbonylContact O-C 3.49Å; S598-R645 WeakPolarHBondContact O-CA 3.48Å; S598-V646 PolarHBondContact O-N 3.08Å
599	S	94	Very high	91.9	Very high	78 Å²	78	62.6 Å²	62.6	55%	0.545	32%	0.316	S	S	.	.			trans	-78	155.7	163.2	56.3	0	0	0	0	111.5	I643 R644	S599-I643 CarbonylContact C-O 3.58Å; S599-I643 VanDerWaalsContact CA-O 3.24Å; S599-I643 WeakPolarHBondContact CA-O 3.36Å; S599-R644 WeakPolarHBondContact CA-O 3.37Å; S599-R644 WeakPolarHBondContact CB-O 3.23Å
600	T	94.7	Very high	91.9	Very high	21 Å²	21	57.3 Å²	57.3	13%	0.129	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	141.5	171.4	-69.1	0	0	0	0	109.8	G594 L602 I643 L672	G594-T600 WeakPolarHBondContact CA-OG1 3.31Å; T600-L602 HydrophobicContact CG2-CD2 3.98Å; T600-I643 PolarHBondContact N-O 3.01Å; T600-I643 PolarHBondContact O-N 2.56Å; T600-L672 HydrophobicContact CG2-CD1 4.14Å
601	F	95.5	Very high	91.7	Very high	76 Å²	76	52.1 Å²	52.1	33%	0.333	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	122	-179.3	-174.9	-115.7	0	0	0	111.1	E603 T637 R639 L641 L642	F601-E603 HydrophobicContact CD1-CB 4.03Å; F601-E603 HydrophobicContact CE1-CB 3.75Å; F601-E603 HydrophobicContact CE1-CG 4.11Å; F601-E603 PolarHBondContact O-N 2.91Å; F601-T637 HydrophobicContact CE2-CG2 4.43Å; F601-T637 WeakPolarHBondContact CE2-OG1 3.32Å; F601-R639 HydrophobicContact CE1-CB 4.31Å; F601-R639 HydrophobicContact CZ-CB 3.87Å; F601-R639 WeakPolarHBondContact CZ-O 3.27Å; F601-L641 WeakPolarHBondContact CD2-O 3.38Å; F601-L642 HydrophobicContact CB-CD1 4.36Å; F601-L642 HydrophobicContact CD2-CB 3.99Å; F601-L642 HydrophobicContact CD2-CD1 4.29Å; F601-L642 HydrophobicContact CE2-CB 4.46Å
602	L	95.3	Very high	91.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	86.1	177.2	-46.7	-171.8	0	0	0	108.1	L592 T600 C604 W615 G640 L641 I643 Y654 I670 L672	L592-L602 HydrophobicContact CD1-CD2 3.92Å; T600-L602 HydrophobicContact CG2-CD2 3.98Å; L602-C604 PolarHBondContact O-N 2.87Å; L602-W615 HydrophobicContact CB-CH2 3.94Å; L602-W615 HydrophobicContact CB-CZ2 4.5Å; L602-W615 HydrophobicContact CB-CZ3 4.42Å; L602-W615 WeakPolarHBondContact O-CH2 3.24Å; L602-W615 VanDerWaalsContact O-CZ2 3.32Å; L602-W615 WeakPolarHBondContact O-CZ2 3.48Å; L602-G640 VanDerWaalsContact O-CA 3.32Å; L602-G640 WeakPolarHBondContact O-CA 3.4Å; L602-L641 HydrophobicContact CB-CB 4.14Å; L602-L641 HydrophobicContact CD1-CB 4.49Å; L602-L641 HydrophobicContact CD1-CD2 4.06Å; L602-L641 HydrophobicContact CG-CB 4.48Å; L602-L641 PolarHBondContact N-O 3.33Å; L602-L641 PolarHBondContact O-N 2.9Å; L602-I643 HydrophobicContact CD1-CD1 4.17Å; L602-I643 HydrophobicContact CG-CD1 4.49Å; L602-Y654 HydrophobicContact CD1-CD1 3.76Å; L602-Y654 HydrophobicContact CD1-CD2 3.78Å; L602-Y654 HydrophobicContact CD1-CE1 4.2Å; L602-Y654 HydrophobicContact CD1-CE2 4.23Å; L602-Y654 HydrophobicContact CD1-CG 3.54Å; L602-I670 HydrophobicContact CB-CD1 3.79Å; L602-I670 HydrophobicContact CD2-CG2 4.34Å; L602-L672 HydrophobicContact CD2-CD1 4.46Å
603	E	93.9	Very high	91.4	Very high	59 Å²	59	53.5 Å²	53.5	28%	0.276	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	128.1	-178.3	-175.4	-178.5	-123	0	0	111.6	R590 F601 I605 R639 L668	R590-E603 IonicContact NH1-OE2 3.08Å; F601-E603 HydrophobicContact CD1-CB 4.03Å; F601-E603 HydrophobicContact CE1-CB 3.75Å; F601-E603 HydrophobicContact CE1-CG 4.11Å; F601-E603 PolarHBondContact O-N 2.91Å; E603-I605 HydrophobicContact CG-CD1 4.17Å; E603-I605 HydrophobicContact CG-CG1 4.11Å; E603-R639 WeakPolarHBondContact CA-O 3.46Å; E603-R639 IonicContact OE1-CZ 3.9Å; E603-R639 IonicContact OE1-NE 3.83Å; E603-R639 IonicContact OE1-NH2 2.68Å; E603-R639 PolarHBondContact OE1-NH2 2.94Å; E603-L668 WeakPolarHBondContact O-CD2 3.42Å
604	C	92.5	Very high	91.3	Very high	6 Å²	6	48 Å²	48	4%	0.041	26%	0.257	C	S	.	.			trans	-147.8	122.9	165.2	-174.9	0	0	0	0	109.4	L602 W615 R639 C656 L668	L602-C604 PolarHBondContact O-N 2.87Å; C604-W615 HydrophobicContact CB-CH2 3.69Å; C604-W615 HydrophobicContact CB-CZ2 3.47Å; C604-W615 VanDerWaalsContact CB-CZ2 3.47Å; C604-R639 CarbonylContact C-O 3.52Å; C604-R639 PolarHBondContact N-O 2.86Å; C604-R639 CarbonylContact O-C 3.58Å; C604-C656 HydrophobicContact CB-CB 3.58Å; C604-C656 WeakPolarHBondContact CB-SG 3.46Å; C604-C656 WeakPolarHBondContact SG-CB 3.34Å; C604-C656 CovalentContact SG-SG 2.02Å; C604-C656 PolarHBondContact SG-SG 2.86Å; C604-L668 HydrophobicContact CB-CD2 4.24Å
605	I	88.6	Confident	91.5	Very high	84 Å²	84	48.4 Å²	48.4	43%	0.431	26%	0.258	S	S	.	.			trans	-124.4	120.6	-176.6	-54.8	173.8	0	0	0	107.8	E603 R639	E603-I605 HydrophobicContact CG-CD1 4.17Å; E603-I605 HydrophobicContact CG-CG1 4.11Å; I605-R639 HydrophobicContact CD1-CB 4.4Å; I605-R639 HydrophobicContact CD1-CG 4.12Å; I605-R639 HydrophobicContact CG1-CB 4.15Å; I605-R639 HydrophobicContact CG1-CG 4.19Å
606	P	87.8	Confident	91.6	Very high	18 Å²	18	46.6 Å²	46.6	12%	0.117	25%	0.247	C	C	.	.			trans	-72.9	147.2	173.5	31.9	-34.4	0	0	0	110.4	S608 A611 V613 A658 L667	P606-S608 WeakPolarHBondContact CG-O 3.02Å; P606-S608 PolarHBondContact O-N 3.49Å; P606-A611 HydrophobicContact CB-CB 4.21Å; P606-V613 HydrophobicContact CB-CG2 4.46Å; P606-V613 HydrophobicContact CG-CG2 3.81Å; P606-A658 HydrophobicContact CB-CB 4.37Å; P606-L667 HydrophobicContact CB-CD1 4.06Å
607	K	83.1	Confident	91.6	Very high	99 Å²	99	46.7 Å²	46.7	43%	0.43	25%	0.246	S	C	.	.	S	Bend	trans	-62.7	-29.7	169.7	-69.3	173	177.6	162.5	0	112.5	Y526 E532	Y526-K607 WeakPolarHBondContact O-CD 3.07Å; Y526-K607 PolarHBondContact O-NZ 3.44Å; E532-K607 WeakPolarHBondContact OE1-CE 3.38Å; E532-K607 IonicContact OE1-NZ 2.69Å; E532-K607 PolarHBondContact OE1-NZ 3.05Å; E532-K607 IonicContact OE2-NZ 2.72Å; E532-K607 PolarHBondContact OE2-NZ 3Å
608	S	88.7	Confident	91.8	Very high	4 Å²	4	46 Å²	46	3%	0.028	23%	0.233	C	C	.	.			trans	-97.1	125.7	179.5	176	0	0	0	0	111.6	R31 P606 Q610 A611 E660	R31-S608 WeakPolarHBondContact CG-OG 3.44Å; R31-S608 CarbonylContact O-C 3.6Å; R31-S608 VanDerWaalsContact O-CA 3.23Å; R31-S608 WeakPolarHBondContact O-CA 3.19Å; P606-S608 WeakPolarHBondContact CG-O 3.02Å; P606-S608 PolarHBondContact O-N 3.49Å; S608-Q610 PolarHBondContact O-N 3.3Å; S608-Q610 PolarHBondContact OG-N 2.88Å; S608-A611 PolarHBondContact O-N 2.86Å; S608-A611 PolarHBondContact OG-N 2.89Å; S608-E660 WeakPolarHBondContact CB-OE1 3.42Å; S608-E660 PolarHBondContact OG-OE1 3.02Å
609	L	89.8	Confident	91.6	Very high	92 Å²	92	49.1 Å²	49.1	48%	0.482	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	5.3	170.4	-50.1	177.8	0	0	0	112.8	S29 P30 R31 K33	S29-L609 PolarHBondContact OG-O 3.29Å; S29-L609 VanDerWaalsContact OG-O 3.05Å; P30-L609 WeakPolarHBondContact O-CB 3.37Å; R31-L609 PolarHBondContact O-N 2.67Å; K33-L609 HydrophobicContact CB-CD1 3.63Å
610	Q	89.6	Confident	91.1	Very high	60 Å²	60	51 Å²	51	28%	0.28	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-13.3	168.9	-64.4	171.7	-2.1	0	0	111.6	S29 S608	S29-Q610 PolarHBondContact O-NE2 3.23Å; S608-Q610 PolarHBondContact O-N 3.3Å; S608-Q610 PolarHBondContact OG-N 2.88Å
611	A	89.7	Confident	90.5	Very high	16 Å²	16	56 Å²	56	13%	0.132	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-81.7	133.9	-179.3	0	0	0	0	0	112.4	P606 S608 A658 M659 E660	P606-A611 HydrophobicContact CB-CB 4.21Å; S608-A611 PolarHBondContact O-N 2.86Å; S608-A611 PolarHBondContact OG-N 2.89Å; A611-A658 HydrophobicContact CB-CB 4.23Å; A611-M659 CarbonylContact C-O 3.59Å; A611-M659 VanDerWaalsContact CA-O 3.32Å; A611-M659 WeakPolarHBondContact CA-O 3.47Å; A611-E660 HydrophobicContact CB-CB 4.03Å
612	R	90.3	Very high	90	Very high	162 Å²	162	60.8 Å²	60.8	61%	0.611	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	126	172	-168.9	-179.4	77.3	161.8	5.3	109.9	M659	R612-M659 PolarHBondContact N-O 3.07Å; R612-M659 PolarHBondContact O-N 3.36Å
613	V	91.6	Very high	89.6	Confident	20 Å²	20	63.9 Å²	63.9	12%	0.121	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	133.7	172.9	-179.4	0	0	0	0	110.5	P606 Q636 H657	P606-V613 HydrophobicContact CB-CG2 4.46Å; P606-V613 HydrophobicContact CG-CG2 3.81Å; V613-Q636 PolarHBondContact O-NE2 3.32Å; V613-H657 CarbonylContact C-O 3.49Å; V613-H657 WeakPolarHBondContact CA-O 3.23Å
614	T	92.6	Very high	89.3	Confident	26 Å²	26	65.3 Å²	65.3	16%	0.16	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	157.7	167.4	60.4	0	0	0	0	110.3	H657	T614-H657 PolarHBondContact N-O 2.89Å; T614-H657 PolarHBondContact O-N 3.49Å
615	W	94.7	Very high	89.2	Confident	9 Å²	9	71.8 Å²	71.8	3%	0.034	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	136.7	-176.6	-72.3	91.7	0	0	0	111.6	L602 C604 V628 L641 Q655 C656 I670	L602-W615 HydrophobicContact CB-CH2 3.94Å; L602-W615 HydrophobicContact CB-CZ2 4.5Å; L602-W615 HydrophobicContact CB-CZ3 4.42Å; L602-W615 WeakPolarHBondContact O-CH2 3.24Å; L602-W615 VanDerWaalsContact O-CZ2 3.32Å; L602-W615 WeakPolarHBondContact O-CZ2 3.48Å; C604-W615 HydrophobicContact CB-CH2 3.69Å; C604-W615 HydrophobicContact CB-CZ2 3.47Å; C604-W615 VanDerWaalsContact CB-CZ2 3.47Å; W615-V628 HydrophobicContact CB-CB 3.91Å; W615-V628 HydrophobicContact CB-CG2 3.65Å; W615-V628 PolarHBondContact O-N 2.92Å; W615-L641 HydrophobicContact CD2-CB 4.4Å; W615-L641 HydrophobicContact CZ2-CB 4.16Å; W615-Q655 WeakPolarHBondContact CA-O 3.24Å; W615-C656 HydrophobicContact CD2-CB 4.16Å; W615-C656 HydrophobicContact CE3-CB 3.9Å; W615-C656 HydrophobicContact CH2-CB 3.76Å; W615-C656 HydrophobicContact CZ2-CB 3.99Å; W615-C656 HydrophobicContact CZ3-CB 3.7Å; W615-I670 HydrophobicContact CH2-CD1 3.75Å; W615-I670 HydrophobicContact CZ3-CD1 4Å
616	T	94.9	Very high	89.3	Confident	23 Å²	23	72.8 Å²	72.8	14%	0.141	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	140.8	169.1	60.6	0	0	0	0	111	E626 Y654 Q655 H657	T616-E626 CarbonylContact C-O 3.57Å; T616-E626 WeakPolarHBondContact CA-O 3.31Å; T616-E626 WeakPolarHBondContact CB-O 3.41Å; T616-Y654 CarbonylContact O-C 3.57Å; T616-Y654 WeakPolarHBondContact O-CA 3.31Å; T616-Q655 PolarHBondContact N-O 3.06Å; T616-Q655 PolarHBondContact O-N 3.43Å; T616-H657 PolarHBondContact OG1-NE2 3.17Å
617	Y	94.2	Very high	89.6	Confident	46 Å²	46	78.7 Å²	78.7	18%	0.18	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	145.4	178.5	165.5	-103.4	0	0	0	111.3	K619 E626 R649 V651 V653 Y654	Y617-K619 HydrophobicContact CE1-CB 4.04Å; Y617-K619 WeakPolarHBondContact OH-CB 3.42Å; Y617-K619 WeakPolarHBondContact OH-CG 3.47Å; Y617-E626 PolarHBondContact N-O 2.98Å; Y617-E626 PolarHBondContact O-N 2.91Å; Y617-R649 PolarHBondContact OH-O 3.31Å; Y617-V651 PolarHBondContact OH-O 3.34Å; Y617-V653 CarbonylContact C-O 3.43Å; Y617-V653 WeakPolarHBondContact CA-O 3.31Å; Y617-Y654 HydrophobicContact CD2-CD1 4.07Å; Y617-Y654 HydrophobicContact CD2-CD2 4.1Å; Y617-Y654 AromaticContact CD2-CE1 3.66Å; Y617-Y654 HydrophobicContact CD2-CE1 3.66Å; Y617-Y654 AromaticContact CD2-CE2 3.67Å; Y617-Y654 HydrophobicContact CD2-CE2 3.67Å; Y617-Y654 HydrophobicContact CD2-CG 4.27Å; Y617-Y654 AromaticContact CD2-CZ 3.43Å; Y617-Y654 VanDerWaalsContact CD2-CZ 3.43Å; Y617-Y654 HydrophobicContact CE2-CE1 4.46Å; Y617-Y654 AromaticContact CE2-CE2 3.9Å; Y617-Y654 HydrophobicContact CE2-CE2 3.9Å; Y617-Y654 AromaticContact CE2-CZ 3.8Å; Y617-Y654 HydrophobicContact CG-CE1 4.21Å
618	Q	93.1	Very high	90	Very high	24 Å²	24	75 Å²	75	11%	0.112	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	113	176	-153.7	-176.8	-3.5	0	0	110	Q620 P621 N623 R625 G652 V653	Q618-Q620 WeakPolarHBondContact CG-O 3.39Å; Q618-P621 PolarHBondContact NE2-O 2.83Å; Q618-P621 VanDerWaalsContact NE2-O 3.17Å; Q618-N623 PolarHBondContact NE2-O 2.85Å; Q618-R625 HydrophobicContact CB-CG 4.01Å; Q618-R625 HydrophobicContact CG-CG 3.82Å; Q618-R625 VanDerWaalsContact OE1-NH2 3.16Å; Q618-G652 WeakPolarHBondContact O-CA 3.4Å; Q618-V653 PolarHBondContact N-O 3.4Å; Q618-V653 PolarHBondContact O-N 2.87Å
619	K	88.4	Confident	90.1	Very high	108 Å²	108	84.6 Å²	84.6	47%	0.47	40%	0.402	S	S	.	.	S	Bend	trans	-67.6	-41.4	-174.9	-171.3	169	-175.7	-178.4	0	113.9	Y617	Y617-K619 HydrophobicContact CE1-CB 4.04Å; Y617-K619 WeakPolarHBondContact OH-CB 3.42Å; Y617-K619 WeakPolarHBondContact OH-CG 3.47Å
620	Q	85.1	Confident	90.1	Very high	118 Å²	118	84.6 Å²	84.6	55%	0.551	40%	0.402	S	S	*	.	S	Bend	trans	-145.3	160.2	174.1	-63.5	-174.5	-7.5	0	0	108.8	Q618 Q622 N623	Q618-Q620 WeakPolarHBondContact CG-O 3.39Å; Q620-Q622 PolarHBondContact O-N 2.03Å; Q620-N623 WeakPolarHBondContact O-CB 3.39Å; Q620-N623 PolarHBondContact O-N 2.95Å
621	P	81.4	Confident	90.2	Very high	125 Å²	125	85.2 Å²	85.2	81%	0.812	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-25	-178.4	-27	36	0	0	0	115.3	Q618	Q618-P621 PolarHBondContact NE2-O 2.83Å; Q618-P621 VanDerWaalsContact NE2-O 3.17Å
622	Q	84	Confident	90.2	Very high	178 Å²	178	92.5 Å²	92.5	83%	0.832	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-21.2	177.4	-61.4	-73.8	15.5	0	0	113.6	Q620	Q620-Q622 PolarHBondContact O-N 2.03Å
623	N	86.9	Confident	90.4	Very high	65 Å²	65	86.6 Å²	86.6	35%	0.348	42%	0.416	S	S	.	.	S	Bend	trans	-77.4	151.4	-179.1	-74.9	80.1	0	0	0	111	Q618 Q620	Q618-N623 PolarHBondContact NE2-O 2.85Å; Q620-N623 WeakPolarHBondContact O-CB 3.39Å; Q620-N623 PolarHBondContact O-N 2.95Å
624	P	87.9	Confident	90.4	Very high	89 Å²	89	86.3 Å²	86.3	58%	0.578	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-57.9	154.8	166.8	27.7	-35.6	0	0	0	111
625	R	90.1	Very high	90.5	Very high	142 Å²	142	87.8 Å²	87.8	54%	0.536	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-84.2	129.6	165.1	-67.9	-168.7	178.9	145.5	15	108.8	Q618 Q655	Q618-R625 HydrophobicContact CB-CG 4.01Å; Q618-R625 HydrophobicContact CG-CG 3.82Å; Q618-R625 VanDerWaalsContact OE1-NH2 3.16Å; R625-Q655 VanDerWaalsContact CZ-OE1 3.27Å
626	E	92.2	Very high	90.3	Very high	105 Å²	105	91.4 Å²	91.4	49%	0.491	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	149.5	176.8	-65.8	178	-152.2	0	0	109.4	T616 Y617	T616-E626 CarbonylContact C-O 3.57Å; T616-E626 WeakPolarHBondContact CA-O 3.31Å; T616-E626 WeakPolarHBondContact CB-O 3.41Å; Y617-E626 PolarHBondContact N-O 2.98Å; Y617-E626 PolarHBondContact O-N 2.91Å
627	E	92.4	Very high	90.1	Very high	141 Å²	141	93 Å²	93	66%	0.659	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	141.1	168.6	-68.4	-163.8	136.8	0	0	110.3	R629	E627-R629 PolarHBondContact O-N 3.39Å; E627-R629 VanDerWaalsContact O-N 3.07Å
628	V	91.9	Very high	89.6	Confident	23 Å²	23	98.5 Å²	98.5	14%	0.139	48%	0.48	C	S	.	.			trans	-68	110	178.3	174	0	0	0	0	109.4	W615 L630 I634 L641 Y654	W615-V628 HydrophobicContact CB-CB 3.91Å; W615-V628 HydrophobicContact CB-CG2 3.65Å; W615-V628 PolarHBondContact O-N 2.92Å; V628-L630 HydrophobicContact CG1-CD2 4.35Å; V628-L630 PolarHBondContact O-N 2.95Å; V628-I634 HydrophobicContact CG1-CG2 3.87Å; V628-L641 HydrophobicContact CG1-CD1 4.04Å; V628-L641 HydrophobicContact CG1-CD2 3.86Å; V628-Y654 HydrophobicContact CG2-CD1 4.05Å; V628-Y654 HydrophobicContact CG2-CE1 4.32Å
629	R	90.3	Very high	89.3	Confident	204 Å²	204	104.1 Å²	104.1	77%	0.77	50%	0.5	S	S	*	.			trans	-69.6	122	172	-63.4	-178.2	-177.9	176.2	2.4	109.4	E627	E627-R629 PolarHBondContact O-N 3.39Å; E627-R629 VanDerWaalsContact O-N 3.07Å
630	L	91.4	Very high	89.5	Confident	93 Å²	93	99 Å²	99	49%	0.487	48%	0.479	S	S	.	.			trans	-81.8	139	174.1	-54.8	-178.4	0	0	0	109.7	V628 I634 Q636 L641	V628-L630 HydrophobicContact CG1-CD2 4.35Å; V628-L630 PolarHBondContact O-N 2.95Å; L630-I634 WeakPolarHBondContact CA-O 3.26Å; L630-I634 HydrophobicContact CD2-CG2 4.13Å; L630-Q636 HydrophobicContact CD1-CB 3.82Å; L630-Q636 HydrophobicContact CD2-CB 4.04Å; L630-L641 HydrophobicContact CD2-CD1 3.8Å
631	D	90.7	Very high	90	Very high	72 Å²	72	93.4 Å²	93.4	39%	0.385	45%	0.452	S	S	.	.			trans	-146.4	-176.6	177.8	68.1	15.9	0	0	0	109.5	R633 I634 L635	D631-R633 PolarHBondContact O-N 3.33Å; D631-R633 VanDerWaalsContact OD1-CA 3.28Å; D631-R633 WeakPolarHBondContact OD1-CA 3.45Å; D631-R633 VanDerWaalsContact OD1-CB 3.23Å; D631-R633 WeakPolarHBondContact OD1-CB 3.47Å; D631-R633 PolarHBondContact OD1-N 2.81Å; D631-I634 PolarHBondContact N-O 2.86Å; D631-I634 VanDerWaalsContact N-O 3.09Å; D631-I634 CarbonylContact O-C 3.48Å; D631-I634 PolarHBondContact O-N 2.79Å; D631-I634 PolarHBondContact OD1-N 2.9Å; D631-L635 WeakPolarHBondContact O-CD2 3.4Å
632	E	90.2	Very high	90.6	Very high	170 Å²	170	90 Å²	90	79%	0.794	43%	0.427	S	S	*	.	S	Bend	trans	-61.7	-12.6	178.9	-62.3	-166.7	146.7	0	0	114.2	R644	E632-R644 WeakPolarHBondContact O-CD 3.32Å; E632-R644 PolarHBondContact O-NH1 3.2Å
633	R	93.7	Very high	91.2	Very high	38 Å²	38	81.5 Å²	81.5	14%	0.143	39%	0.387	C	S	.	.	S	Bend	trans	-105.5	-29.7	-178	-178	-169.1	75.7	109	-3.8	112	D631 I643 R644 R645 D650	D631-R633 PolarHBondContact O-N 3.33Å; D631-R633 VanDerWaalsContact OD1-CA 3.28Å; D631-R633 WeakPolarHBondContact OD1-CA 3.45Å; D631-R633 VanDerWaalsContact OD1-CB 3.23Å; D631-R633 WeakPolarHBondContact OD1-CB 3.47Å; D631-R633 PolarHBondContact OD1-N 2.81Å; R633-I643 CarbonylContact O-C 3.55Å; R633-I643 WeakPolarHBondContact O-CA 3.47Å; R633-R644 WeakPolarHBondContact O-CB 3.31Å; R633-R644 PolarHBondContact O-N 3.38Å; R633-R645 WeakPolarHBondContact CD-O 3.34Å; R633-R645 HydrophobicContact CG-CB 4.15Å; R633-R645 PolarHBondContact NH1-O 2.9Å; R633-D650 IonicContact CZ-OD1 3.2Å; R633-D650 IonicContact CZ-OD2 3.39Å; R633-D650 VanDerWaalsContact NH1-CG 3.28Å; R633-D650 IonicContact NH1-OD1 3.91Å; R633-D650 PolarHBondContact NH1-OD1 2.74Å; R633-D650 VanDerWaalsContact NH1-OD1 3.09Å; R633-D650 IonicContact NH1-OD2 3.09Å; R633-D650 PolarHBondContact NH1-OD2 3.03Å; R633-D650 IonicContact NH2-OD1 2.82Å; R633-D650 PolarHBondContact NH2-OD1 2.82Å; R633-D650 IonicContact NH2-OD2 2.77Å
634	I	93.1	Very high	91.6	Very high	13 Å²	13	85 Å²	85	7%	0.067	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	102.6	178.7	-58.9	-175.4	0	0	0	108.8	V628 L630 D631 L641 L642 I643	V628-I634 HydrophobicContact CG1-CG2 3.87Å; L630-I634 WeakPolarHBondContact CA-O 3.26Å; L630-I634 HydrophobicContact CD2-CG2 4.13Å; D631-I634 PolarHBondContact N-O 2.86Å; D631-I634 VanDerWaalsContact N-O 3.09Å; D631-I634 CarbonylContact O-C 3.48Å; D631-I634 PolarHBondContact O-N 2.79Å; D631-I634 PolarHBondContact OD1-N 2.9Å; I634-L641 HydrophobicContact CG2-CD1 3.76Å; I634-L641 HydrophobicContact CG2-CD2 3.8Å; I634-L641 HydrophobicContact CG2-CG 3.84Å; I634-L642 WeakPolarHBondContact CA-O 3.02Å; I634-I643 HydrophobicContact CG1-CG1 4.4Å; I634-I643 HydrophobicContact CG1-CG2 4.47Å
635	L	93.1	Very high	91.8	Very high	58 Å²	58	88.2 Å²	88.2	30%	0.304	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	135.1	179.7	-61.2	-179.6	0	0	0	111	D631 L642	D631-L635 WeakPolarHBondContact O-CD2 3.4Å; L635-L642 PolarHBondContact N-O 2.65Å; L635-L642 PolarHBondContact O-N 3.41Å
636	Q	91.6	Very high	92	Very high	84 Å²	84	81.4 Å²	81.4	39%	0.393	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	139.8	165.5	-177	165.7	-15.2	0	0	110	V613 L630 L641	V613-Q636 PolarHBondContact O-NE2 3.32Å; L630-Q636 HydrophobicContact CD1-CB 3.82Å; L630-Q636 HydrophobicContact CD2-CB 4.04Å; Q636-L641 HydrophobicContact CB-CD1 4.44Å
637	T	89.4	Confident	92.1	Very high	56 Å²	56	78.6 Å²	78.6	34%	0.344	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	167.1	173.1	79.4	0	0	0	0	109.7	F601 R639 G640 L642	F601-T637 HydrophobicContact CE2-CG2 4.43Å; F601-T637 WeakPolarHBondContact CE2-OG1 3.32Å; T637-R639 PolarHBondContact O-N 3.35Å; T637-R639 PolarHBondContact OG1-N 2.86Å; T637-G640 PolarHBondContact N-O 3.42Å; T637-G640 PolarHBondContact O-N 2.86Å; T637-G640 VanDerWaalsContact O-N 3.14Å; T637-G640 PolarHBondContact OG1-N 3.35Å; T637-L642 HydrophobicContact CG2-CB 4.42Å
638	D	84.4	Confident	92	Very high	163 Å²	163	77.3 Å²	77.3	87%	0.872	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-8.1	178.1	-52.1	-41.4	0	0	0	114.2
639	R	88	Confident	91.9	Very high	142 Å²	142	83.3 Å²	83.3	54%	0.536	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	1.9	178.6	-70.1	-175	63.8	147.6	1	114.7	F601 E603 C604 I605 T637	F601-R639 HydrophobicContact CE1-CB 4.31Å; F601-R639 HydrophobicContact CZ-CB 3.87Å; F601-R639 WeakPolarHBondContact CZ-O 3.27Å; E603-R639 WeakPolarHBondContact CA-O 3.46Å; E603-R639 IonicContact OE1-CZ 3.9Å; E603-R639 IonicContact OE1-NE 3.83Å; E603-R639 IonicContact OE1-NH2 2.68Å; E603-R639 PolarHBondContact OE1-NH2 2.94Å; C604-R639 CarbonylContact C-O 3.52Å; C604-R639 PolarHBondContact N-O 2.86Å; C604-R639 CarbonylContact O-C 3.58Å; I605-R639 HydrophobicContact CD1-CB 4.4Å; I605-R639 HydrophobicContact CD1-CG 4.12Å; I605-R639 HydrophobicContact CG1-CB 4.15Å; I605-R639 HydrophobicContact CG1-CG 4.19Å; T637-R639 PolarHBondContact O-N 3.35Å; T637-R639 PolarHBondContact OG1-N 2.86Å
640	G	92.1	Very high	91.9	Very high	1 Å²	1	74 Å²	74	1%	0.01	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147.4	-151.6	-179.5	0	0	0	0	0	115.1	L602 T637	L602-G640 VanDerWaalsContact O-CA 3.32Å; L602-G640 WeakPolarHBondContact O-CA 3.4Å; T637-G640 PolarHBondContact N-O 3.42Å; T637-G640 PolarHBondContact O-N 2.86Å; T637-G640 VanDerWaalsContact O-N 3.14Å; T637-G640 PolarHBondContact OG1-N 3.35Å
641	L	94.8	Very high	92.1	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	122.5	-177.5	-163.7	80.7	0	0	0	111.1	F601 L602 W615 V628 L630 I634 Q636 I643 Y654	F601-L641 WeakPolarHBondContact CD2-O 3.38Å; L602-L641 HydrophobicContact CB-CB 4.14Å; L602-L641 HydrophobicContact CD1-CB 4.49Å; L602-L641 HydrophobicContact CD1-CD2 4.06Å; L602-L641 HydrophobicContact CG-CB 4.48Å; L602-L641 PolarHBondContact N-O 3.33Å; L602-L641 PolarHBondContact O-N 2.9Å; W615-L641 HydrophobicContact CD2-CB 4.4Å; W615-L641 HydrophobicContact CZ2-CB 4.16Å; V628-L641 HydrophobicContact CG1-CD1 4.04Å; V628-L641 HydrophobicContact CG1-CD2 3.86Å; L630-L641 HydrophobicContact CD2-CD1 3.8Å; I634-L641 HydrophobicContact CG2-CD1 3.76Å; I634-L641 HydrophobicContact CG2-CD2 3.8Å; I634-L641 HydrophobicContact CG2-CG 3.84Å; Q636-L641 HydrophobicContact CB-CD1 4.44Å; L641-I643 HydrophobicContact CD2-CG1 4.4Å; L641-Y654 HydrophobicContact CD2-CD1 4.16Å; L641-Y654 HydrophobicContact CD2-CE1 4.2Å
642	L	95.3	Very high	92.2	Very high	53 Å²	53	68.8 Å²	68.8	28%	0.277	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	111.7	175.2	178.6	63.1	0	0	0	110.5	F601 I634 L635 T637 R644	F601-L642 HydrophobicContact CB-CD1 4.36Å; F601-L642 HydrophobicContact CD2-CB 3.99Å; F601-L642 HydrophobicContact CD2-CD1 4.29Å; F601-L642 HydrophobicContact CE2-CB 4.46Å; I634-L642 WeakPolarHBondContact CA-O 3.02Å; L635-L642 PolarHBondContact N-O 2.65Å; L635-L642 PolarHBondContact O-N 3.41Å; T637-L642 HydrophobicContact CG2-CB 4.42Å; L642-R644 HydrophobicContact CD2-CG 4.27Å; L642-R644 HydrophobicContact CG-CG 4.29Å
643	I	95.7	Very high	92.4	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	101.5	168.3	-53.7	176.6	0	0	0	107	S599 T600 L602 R633 I634 L641 R645 V646 L672	S599-I643 CarbonylContact C-O 3.58Å; S599-I643 VanDerWaalsContact CA-O 3.24Å; S599-I643 WeakPolarHBondContact CA-O 3.36Å; T600-I643 PolarHBondContact N-O 3.01Å; T600-I643 PolarHBondContact O-N 2.56Å; L602-I643 HydrophobicContact CD1-CD1 4.17Å; L602-I643 HydrophobicContact CG-CD1 4.49Å; R633-I643 CarbonylContact O-C 3.55Å; R633-I643 WeakPolarHBondContact O-CA 3.47Å; I634-I643 HydrophobicContact CG1-CG1 4.4Å; I634-I643 HydrophobicContact CG1-CG2 4.47Å; L641-I643 HydrophobicContact CD2-CG1 4.4Å; I643-R645 VanDerWaalsContact C-N 3.31Å; I643-R645 PolarHBondContact O-N 3.09Å; I643-V646 HydrophobicContact CB-CG2 4.16Å; I643-V646 HydrophobicContact CG2-CG2 3.77Å; I643-L672 HydrophobicContact CD1-CD2 3.89Å
644	R	94.6	Very high	92.5	Very high	138 Å²	138	61.3 Å²	61.3	52%	0.521	28%	0.282	S	S	.	.	S	Bend	trans	-63.7	-31.6	-177.4	-74.6	168.1	150.9	-175.5	-5.5	113.7	S599 E632 R633 L642	S599-R644 WeakPolarHBondContact CA-O 3.37Å; S599-R644 WeakPolarHBondContact CB-O 3.23Å; E632-R644 WeakPolarHBondContact O-CD 3.32Å; E632-R644 PolarHBondContact O-NH1 3.2Å; R633-R644 WeakPolarHBondContact O-CB 3.31Å; R633-R644 PolarHBondContact O-N 3.38Å; L642-R644 HydrophobicContact CD2-CG 4.27Å; L642-R644 HydrophobicContact CG-CG 4.29Å
645	R	93.4	Very high	92.6	Very high	156 Å²	156	62 Å²	62	59%	0.589	28%	0.284	S	S	*	.	S	Bend	trans	-143.5	106.9	176.4	-174.5	176.8	-177.6	177.3	2.3	109.8	S598 R633 I643	S598-R645 CarbonylContact O-C 3.49Å; S598-R645 WeakPolarHBondContact O-CA 3.48Å; R633-R645 WeakPolarHBondContact CD-O 3.34Å; R633-R645 HydrophobicContact CG-CB 4.15Å; R633-R645 PolarHBondContact NH1-O 2.9Å; I643-R645 VanDerWaalsContact C-N 3.31Å; I643-R645 PolarHBondContact O-N 3.09Å
646	V	94	Very high	92.6	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	27%	0.27	C	S	.	.			trans	-77.9	142.8	179.1	177.7	0	0	0	0	110.6	G597 S598 I643 V674	G597-V646 PolarHBondContact N-O 2.81Å; S598-V646 PolarHBondContact O-N 3.08Å; I643-V646 HydrophobicContact CB-CG2 4.16Å; I643-V646 HydrophobicContact CG2-CG2 3.77Å; V646-V674 HydrophobicContact CG1-CB 4.25Å; V646-V674 HydrophobicContact CG1-CG1 3.82Å; V646-V674 HydrophobicContact CG1-CG2 3.4Å; V646-V674 VanDerWaalsContact CG1-CG2 3.4Å
647	L	93.4	Very high	92.7	Very high	45 Å²	45	56.2 Å²	56.2	24%	0.236	26%	0.256	C	S	.	.			trans	-136.2	152	-178.7	-59.9	172.3	0	0	0	109	R649 D650	L647-R649 HydrophobicContact CB-CG 4.08Å; L647-R649 PolarHBondContact O-N 3.17Å; L647-D650 PolarHBondContact N-OD2 3.34Å; L647-D650 WeakPolarHBondContact O-CB 3.42Å; L647-D650 PolarHBondContact O-N 3.49Å
648	K	90.4	Very high	92.8	Very high	114 Å²	114	53.8 Å²	53.8	50%	0.496	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-50.7	-22.1	174.7	-83.5	161.3	179.8	133.4	0	115.7	E596 D650 V651 V674	E596-K648 WeakPolarHBondContact OE1-CD 3.38Å; E596-K648 WeakPolarHBondContact OE1-CG 3.24Å; E596-K648 PolarHBondContact OE1-N 3.49Å; E596-K648 IonicContact OE1-NZ 3.92Å; E596-K648 WeakPolarHBondContact OE2-CE 3.23Å; E596-K648 IonicContact OE2-NZ 2.65Å; E596-K648 PolarHBondContact OE2-NZ 2.9Å; K648-D650 VanDerWaalsContact C-N 3.31Å; K648-V651 WeakPolarHBondContact O-CG2 3.28Å; K648-V674 HydrophobicContact CG-CG1 4.45Å
649	R	89.7	Confident	93	Very high	150 Å²	150	49.4 Å²	49.4	57%	0.566	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-72.7	-20.3	175.6	73.7	180	-176.4	-170.3	1.2	114.2	Y617 L647 V651	Y617-R649 PolarHBondContact OH-O 3.31Å; L647-R649 HydrophobicContact CB-CG 4.08Å; L647-R649 PolarHBondContact O-N 3.17Å; R649-V651 VanDerWaalsContact C-N 3.3Å
650	D	91.9	Very high	93.1	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.037	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-83.7	-5.5	-176.5	-51.1	-40.9	0	0	0	112.7	R633 L647 K648 G652 Y654 L672	R633-D650 IonicContact CZ-OD1 3.2Å; R633-D650 IonicContact CZ-OD2 3.39Å; R633-D650 VanDerWaalsContact NH1-CG 3.28Å; R633-D650 IonicContact NH1-OD1 3.91Å; R633-D650 PolarHBondContact NH1-OD1 2.74Å; R633-D650 VanDerWaalsContact NH1-OD1 3.09Å; R633-D650 IonicContact NH1-OD2 3.09Å; R633-D650 PolarHBondContact NH1-OD2 3.03Å; R633-D650 IonicContact NH2-OD1 2.82Å; R633-D650 PolarHBondContact NH2-OD1 2.82Å; R633-D650 IonicContact NH2-OD2 2.77Å; L647-D650 PolarHBondContact N-OD2 3.34Å; L647-D650 WeakPolarHBondContact O-CB 3.42Å; L647-D650 PolarHBondContact O-N 3.49Å; K648-D650 VanDerWaalsContact C-N 3.31Å; D650-G652 PolarHBondContact O-N 3.48Å; D650-Y654 VanDerWaalsContact O-CE2 3.31Å; D650-Y654 WeakPolarHBondContact O-CE2 3.43Å; D650-Y654 PolarHBondContact O-OH 3.42Å; D650-L672 HydrophobicContact CB-CD2 4.42Å
651	V	93.9	Very high	92.6	Very high	50 Å²	50	47.8 Å²	47.8	30%	0.303	21%	0.214	S	C	.	.			trans	-55.7	134.2	173.6	174.8	0	0	0	0	110	Y617 K648 R649 L672 V674	Y617-V651 PolarHBondContact OH-O 3.34Å; K648-V651 WeakPolarHBondContact O-CG2 3.28Å; R649-V651 VanDerWaalsContact C-N 3.3Å; V651-L672 WeakPolarHBondContact CA-O 3.5Å; V651-V674 HydrophobicContact CG2-CB 3.71Å; V651-V674 HydrophobicContact CG2-CG2 3.55Å
652	G	93.9	Very high	92	Very high	6 Å²	6	50.5 Å²	50.5	6%	0.062	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.1	-169.4	178.2	0	0	0	0	0	112.9	Q618 D650 L672	Q618-G652 WeakPolarHBondContact O-CA 3.4Å; D650-G652 PolarHBondContact O-N 3.48Å; G652-L672 PolarHBondContact N-O 3.32Å; G652-L672 VanDerWaalsContact N-O 3.16Å; G652-L672 PolarHBondContact O-N 2.95Å
653	V	94.6	Very high	91.6	Very high	46 Å²	46	49.8 Å²	49.8	28%	0.279	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	119.8	178.1	-174.8	0	0	0	0	109.7	Y617 Q618 Q655 I670	Y617-V653 CarbonylContact C-O 3.43Å; Y617-V653 WeakPolarHBondContact CA-O 3.31Å; Q618-V653 PolarHBondContact N-O 3.4Å; Q618-V653 PolarHBondContact O-N 2.87Å; V653-Q655 HydrophobicContact CG1-CG 4.24Å; V653-I670 CarbonylContact C-O 3.43Å; V653-I670 WeakPolarHBondContact CA-O 3.15Å
654	Y	95.2	Very high	91.3	Very high	6 Å²	6	53.2 Å²	53.2	2%	0.024	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.7	170.3	-65.6	-100.2	0	0	0	108.6	L602 T616 Y617 V628 L641 D650 G669 I670 L672	L602-Y654 HydrophobicContact CD1-CD1 3.76Å; L602-Y654 HydrophobicContact CD1-CD2 3.78Å; L602-Y654 HydrophobicContact CD1-CE1 4.2Å; L602-Y654 HydrophobicContact CD1-CE2 4.23Å; L602-Y654 HydrophobicContact CD1-CG 3.54Å; T616-Y654 CarbonylContact O-C 3.57Å; T616-Y654 WeakPolarHBondContact O-CA 3.31Å; Y617-Y654 HydrophobicContact CD2-CD1 4.07Å; Y617-Y654 HydrophobicContact CD2-CD2 4.1Å; Y617-Y654 AromaticContact CD2-CE1 3.66Å; Y617-Y654 HydrophobicContact CD2-CE1 3.66Å; Y617-Y654 AromaticContact CD2-CE2 3.67Å; Y617-Y654 HydrophobicContact CD2-CE2 3.67Å; Y617-Y654 HydrophobicContact CD2-CG 4.27Å; Y617-Y654 AromaticContact CD2-CZ 3.43Å; Y617-Y654 VanDerWaalsContact CD2-CZ 3.43Å; Y617-Y654 HydrophobicContact CE2-CE1 4.46Å; Y617-Y654 AromaticContact CE2-CE2 3.9Å; Y617-Y654 HydrophobicContact CE2-CE2 3.9Å; Y617-Y654 AromaticContact CE2-CZ 3.8Å; Y617-Y654 HydrophobicContact CG-CE1 4.21Å; V628-Y654 HydrophobicContact CG2-CD1 4.05Å; V628-Y654 HydrophobicContact CG2-CE1 4.32Å; L641-Y654 HydrophobicContact CD2-CD1 4.16Å; L641-Y654 HydrophobicContact CD2-CE1 4.2Å; D650-Y654 VanDerWaalsContact O-CE2 3.31Å; D650-Y654 WeakPolarHBondContact O-CE2 3.43Å; D650-Y654 PolarHBondContact O-OH 3.42Å; Y654-G669 CarbonylContact O-C 3.6Å; Y654-I670 PolarHBondContact N-O 2.74Å; Y654-I670 PolarHBondContact O-N 2.95Å; Y654-L672 HydrophobicContact CD2-CB 4.08Å; Y654-L672 HydrophobicContact CE2-CB 3.89Å; Y654-L672 HydrophobicContact CE2-CD2 3.85Å
655	Q	94.4	Very high	90.9	Very high	26 Å²	26	48.6 Å²	48.6	12%	0.121	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.2	174.3	-64.2	-169.2	-35.4	0	0	110	W615 T616 R625 V653 T666 L668	W615-Q655 WeakPolarHBondContact CA-O 3.24Å; T616-Q655 PolarHBondContact N-O 3.06Å; T616-Q655 PolarHBondContact O-N 3.43Å; R625-Q655 VanDerWaalsContact CZ-OE1 3.27Å; V653-Q655 HydrophobicContact CG1-CG 4.24Å; Q655-T666 HydrophobicContact CB-CG2 4.04Å; Q655-T666 HydrophobicContact CG-CG2 4.46Å; Q655-L668 WeakPolarHBondContact CA-O 3.27Å
656	C	94.6	Very high	90.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	125.9	171.2	174	0	0	0	0	109.5	C604 W615 T666 L667 L668	C604-C656 HydrophobicContact CB-CB 3.58Å; C604-C656 WeakPolarHBondContact CB-SG 3.46Å; C604-C656 WeakPolarHBondContact SG-CB 3.34Å; C604-C656 CovalentContact SG-SG 2.02Å; C604-C656 PolarHBondContact SG-SG 2.86Å; W615-C656 HydrophobicContact CD2-CB 4.16Å; W615-C656 HydrophobicContact CE3-CB 3.9Å; W615-C656 HydrophobicContact CH2-CB 3.76Å; W615-C656 HydrophobicContact CZ2-CB 3.99Å; W615-C656 HydrophobicContact CZ3-CB 3.7Å; C656-T666 CarbonylContact O-C 3.57Å; C656-T666 WeakPolarHBondContact O-CA 3.43Å; C656-T666 WeakPolarHBondContact O-CG2 3.23Å; C656-L667 PolarHBondContact O-N 2.72Å; C656-L668 HydrophobicContact CB-CB 4.26Å; C656-L668 PolarHBondContact N-O 3.33Å
657	H	92.2	Very high	90.5	Very high	22 Å²	22	45.3 Å²	45.3	10%	0.102	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	144.9	174.6	-46.8	-83.2	0	0	0	109.9	V613 T614 T616 T664 Q665 T666	V613-H657 CarbonylContact C-O 3.49Å; V613-H657 WeakPolarHBondContact CA-O 3.23Å; T614-H657 PolarHBondContact N-O 2.89Å; T614-H657 PolarHBondContact O-N 3.49Å; T616-H657 PolarHBondContact OG1-NE2 3.17Å; H657-T664 HydrophobicContact CB-CG2 3.95Å; H657-Q665 CarbonylContact C-O 3.6Å; H657-Q665 VanDerWaalsContact CA-O 3.29Å; H657-Q665 WeakPolarHBondContact CA-O 3.41Å; H657-T666 PolarHBondContact CE1-OG1 2.9Å; H657-T666 WeakPolarHBondContact ND1-CB 3.36Å; H657-T666 PolarHBondContact ND1-OG1 2.86Å
658	A	91.4	Very high	90.4	Very high	5 Å²	5	43.8 Å²	43.8	4%	0.041	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.3	171.9	0	0	0	0	0	109.6	P606 A611 T664 Q665 L667	P606-A658 HydrophobicContact CB-CB 4.37Å; A611-A658 HydrophobicContact CB-CB 4.23Å; A658-T664 WeakPolarHBondContact O-CA 3.36Å; A658-Q665 PolarHBondContact N-O 2.91Å; A658-Q665 PolarHBondContact O-N 3.01Å; A658-L667 HydrophobicContact CB-CD1 3.73Å; A658-L667 HydrophobicContact CB-CD2 4.1Å; A658-L667 HydrophobicContact CB-CG 3.84Å
659	M	89.6	Confident	90.6	Very high	70 Å²	70	38.6 Å²	38.6	35%	0.345	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.3	178.9	-170.7	-175.6	-170	0	0	110.1	A611 R612 F663	A611-M659 CarbonylContact C-O 3.59Å; A611-M659 VanDerWaalsContact CA-O 3.32Å; A611-M659 WeakPolarHBondContact CA-O 3.47Å; R612-M659 PolarHBondContact N-O 3.07Å; R612-M659 PolarHBondContact O-N 3.36Å; M659-F663 CarbonylContact C-O 3.54Å; M659-F663 VanDerWaalsContact CA-O 3.27Å; M659-F663 WeakPolarHBondContact CA-O 3.33Å
660	E	89.2	Confident	90.8	Very high	11 Å²	11	31.5 Å²	31.5	5%	0.051	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	130	-176.9	-172.2	172.3	-149.1	0	0	109.2	R31 L535 S608 A611 G662 F663	R31-E660 IonicContact CZ-OE1 3.57Å; R31-E660 IonicContact CZ-OE2 3.36Å; R31-E660 IonicContact NE-OE1 3.51Å; R31-E660 PolarHBondContact NE-OE1 3.07Å; R31-E660 IonicContact NE-OE2 3.2Å; R31-E660 IonicContact NH2-OE1 3.51Å; R31-E660 IonicContact NH2-OE2 2.68Å; R31-E660 PolarHBondContact NH2-OE2 2.83Å; L535-E660 HydrophobicContact CD1-CB 4.3Å; L535-E660 HydrophobicContact CD2-CB 4.24Å; L535-E660 HydrophobicContact CD2-CG 4.16Å; S608-E660 WeakPolarHBondContact CB-OE1 3.42Å; S608-E660 PolarHBondContact OG-OE1 3.02Å; A611-E660 HydrophobicContact CB-CB 4.03Å; E660-G662 PolarHBondContact O-N 2.91Å; E660-F663 PolarHBondContact N-O 2.72Å; E660-F663 PolarHBondContact O-N 3.45Å
661	H	81.4	Confident	91	Very high	98 Å²	98	33.5 Å²	33.5	45%	0.454	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	32.8	-175.9	-59.8	114.8	0	0	0	115.4	L535 F663	L535-H661 HydrophobicContact CD2-CB 4.29Å; H661-F663 VanDerWaalsContact C-N 3.28Å; H661-F663 PolarHBondContact O-N 2.7Å
662	G	82.8	Confident	91.1	Very high	58 Å²	58	31.1 Å²	31.1	60%	0.598	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.3	-11.1	-178.8	0	0	0	0	0	115.1	E660	E660-G662 PolarHBondContact O-N 2.91Å
663	F	87	Confident	91.1	Very high	38 Å²	38	34.3 Å²	34.3	17%	0.167	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	142.6	172.1	-179.3	-97.9	0	0	0	111.1	A531 L535 P569 M659 E660 H661 Q665	A531-F663 HydrophobicContact CB-CD1 4.29Å; A531-F663 HydrophobicContact CB-CE1 3.41Å; A531-F663 VanDerWaalsContact CB-CE1 3.41Å; A531-F663 HydrophobicContact CB-CZ 3.59Å; L535-F663 HydrophobicContact CD1-CD1 3.94Å; L535-F663 HydrophobicContact CD2-CB 4.48Å; P569-F663 HydrophobicContact CB-CD1 4.37Å; P569-F663 HydrophobicContact CB-CD2 3.77Å; P569-F663 HydrophobicContact CB-CE1 4.33Å; P569-F663 HydrophobicContact CB-CE2 3.77Å; P569-F663 HydrophobicContact CB-CG 4.08Å; P569-F663 HydrophobicContact CB-CZ 4.05Å; P569-F663 HydrophobicContact CG-CB 4.06Å; P569-F663 HydrophobicContact CG-CD1 3.89Å; P569-F663 HydrophobicContact CG-CD2 3.89Å; P569-F663 HydrophobicContact CG-CE1 4.25Å; P569-F663 HydrophobicContact CG-CE2 4.28Å; P569-F663 HydrophobicContact CG-CG 3.67Å; P569-F663 HydrophobicContact CG-CZ 4.44Å; M659-F663 CarbonylContact C-O 3.54Å; M659-F663 VanDerWaalsContact CA-O 3.27Å; M659-F663 WeakPolarHBondContact CA-O 3.33Å; E660-F663 PolarHBondContact N-O 2.72Å; E660-F663 PolarHBondContact O-N 3.45Å; H661-F663 VanDerWaalsContact C-N 3.28Å; H661-F663 PolarHBondContact O-N 2.7Å; F663-Q665 HydrophobicContact CE1-CB 3.79Å; F663-Q665 HydrophobicContact CE1-CG 4.13Å
664	T	88.8	Confident	91.1	Very high	71 Å²	71	33.1 Å²	33.1	44%	0.436	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.9	-179.9	-59.4	0	0	0	0	110.6	H657 A658	H657-T664 HydrophobicContact CB-CG2 3.95Å; A658-T664 WeakPolarHBondContact O-CA 3.36Å
665	Q	87.3	Confident	91	Very high	41 Å²	41	36 Å²	36	19%	0.192	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	139.3	174.9	53.3	175.1	28.3	0	0	112.5	H657 A658 F663 L667	H657-Q665 CarbonylContact C-O 3.6Å; H657-Q665 VanDerWaalsContact CA-O 3.29Å; H657-Q665 WeakPolarHBondContact CA-O 3.41Å; A658-Q665 PolarHBondContact N-O 2.91Å; A658-Q665 PolarHBondContact O-N 3.01Å; F663-Q665 HydrophobicContact CE1-CB 3.79Å; F663-Q665 HydrophobicContact CE1-CG 4.13Å; Q665-L667 HydrophobicContact CG-CD2 4.32Å; Q665-L667 PolarHBondContact O-N 3.39Å
666	T	89.7	Confident	90.7	Very high	47 Å²	47	37.6 Å²	37.6	29%	0.288	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	118	171.6	-44.6	0	0	0	0	110	V587 Q655 C656 H657	V587-T666 HydrophobicContact CG1-CG2 3.65Å; V587-T666 HydrophobicContact CG2-CG2 4.13Å; Q655-T666 HydrophobicContact CB-CG2 4.04Å; Q655-T666 HydrophobicContact CG-CG2 4.46Å; C656-T666 CarbonylContact O-C 3.57Å; C656-T666 WeakPolarHBondContact O-CA 3.43Å; C656-T666 WeakPolarHBondContact O-CG2 3.23Å; H657-T666 PolarHBondContact CE1-OG1 2.9Å; H657-T666 WeakPolarHBondContact ND1-CB 3.36Å; H657-T666 PolarHBondContact ND1-OG1 2.86Å
667	L	89	Confident	89.8	Confident	40 Å²	40	40.9 Å²	40.9	21%	0.209	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-44.3	179	-63	-175	0	0	0	112.1	P606 C656 A658 Q665	P606-L667 HydrophobicContact CB-CD1 4.06Å; C656-L667 PolarHBondContact O-N 2.72Å; A658-L667 HydrophobicContact CB-CD1 3.73Å; A658-L667 HydrophobicContact CB-CD2 4.1Å; A658-L667 HydrophobicContact CB-CG 3.84Å; Q665-L667 HydrophobicContact CG-CD2 4.32Å; Q665-L667 PolarHBondContact O-N 3.39Å
668	L	91.6	Very high	88.4	Confident	14 Å²	14	44.6 Å²	44.6	7%	0.073	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	131	-163.9	-176.1	75.7	0	0	0	110.3	A588 R590 E603 C604 Q655 C656 I670	A588-L668 HydrophobicContact CB-CD1 3.78Å; A588-L668 CarbonylContact O-C 3.44Å; A588-L668 WeakPolarHBondContact O-CA 3.18Å; A588-L668 WeakPolarHBondContact O-CD1 3.42Å; R590-L668 HydrophobicContact CG-CD1 3.98Å; E603-L668 WeakPolarHBondContact O-CD2 3.42Å; C604-L668 HydrophobicContact CB-CD2 4.24Å; Q655-L668 WeakPolarHBondContact CA-O 3.27Å; C656-L668 HydrophobicContact CB-CB 4.26Å; C656-L668 PolarHBondContact N-O 3.33Å; L668-I670 HydrophobicContact CD2-CD1 3.67Å; L668-I670 HydrophobicContact CD2-CG1 3.71Å; L668-I670 HydrophobicContact CG-CD1 4.37Å; L668-I670 HydrophobicContact CG-CG1 3.87Å
669	G	93.9	Very high	86.5	Confident	4 Å²	4	49.9 Å²	49.9	4%	0.041	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.8	164	0	0	0	0	0	109.8	A588 E589 R590 Y654	A588-G669 PolarHBondContact O-N 3.23Å; E589-G669 CarbonylContact C-O 3.55Å; E589-G669 WeakPolarHBondContact CA-O 3.47Å; R590-G669 PolarHBondContact N-O 3.36Å; Y654-G669 CarbonylContact O-C 3.6Å
670	I	95.4	Very high	84.4	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	112.1	178.4	-54.6	176.4	0	0	0	108.7	R590 L592 L602 W615 V653 Y654 L668 L672	R590-I670 CarbonylContact O-C 3.57Å; R590-I670 VanDerWaalsContact O-CA 3.31Å; R590-I670 WeakPolarHBondContact O-CA 3.24Å; L592-I670 HydrophobicContact CB-CG2 4.17Å; L592-I670 HydrophobicContact CD1-CG2 3.69Å; L592-I670 HydrophobicContact CG-CG2 3.83Å; L602-I670 HydrophobicContact CB-CD1 3.79Å; L602-I670 HydrophobicContact CD2-CG2 4.34Å; W615-I670 HydrophobicContact CH2-CD1 3.75Å; W615-I670 HydrophobicContact CZ3-CD1 4Å; V653-I670 CarbonylContact C-O 3.43Å; V653-I670 WeakPolarHBondContact CA-O 3.15Å; Y654-I670 PolarHBondContact N-O 2.74Å; Y654-I670 PolarHBondContact O-N 2.95Å; L668-I670 HydrophobicContact CD2-CD1 3.67Å; L668-I670 HydrophobicContact CD2-CG1 3.71Å; L668-I670 HydrophobicContact CG-CD1 4.37Å; L668-I670 HydrophobicContact CG-CG1 3.87Å; I670-L672 PolarHBondContact O-N 2.82Å
671	T	95.6	Very high	82.1	Confident	50 Å²	50	56 Å²	56	31%	0.307	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	110.8	167.9	-56.9	0	0	0	0	108.5	R590 K591 L592	R590-T671 PolarHBondContact O-N 2.91Å; K591-T671 WeakPolarHBondContact CA-O 3.22Å; L592-T671 PolarHBondContact N-O 2.88Å
672	L	95.4	Very high	80.2	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	119	173.9	-179.8	62.7	0	0	0	109.5	L592 T600 L602 I643 D650 V651 G652 Y654 I670	L592-L672 HydrophobicContact CB-CD1 4.37Å; L592-L672 WeakPolarHBondContact O-CA 3.38Å; T600-L672 HydrophobicContact CG2-CD1 4.14Å; L602-L672 HydrophobicContact CD2-CD1 4.46Å; I643-L672 HydrophobicContact CD1-CD2 3.89Å; D650-L672 HydrophobicContact CB-CD2 4.42Å; V651-L672 WeakPolarHBondContact CA-O 3.5Å; G652-L672 PolarHBondContact N-O 3.32Å; G652-L672 VanDerWaalsContact N-O 3.16Å; G652-L672 PolarHBondContact O-N 2.95Å; Y654-L672 HydrophobicContact CD2-CB 4.08Å; Y654-L672 HydrophobicContact CE2-CB 3.89Å; Y654-L672 HydrophobicContact CE2-CD2 3.85Å; I670-L672 PolarHBondContact O-N 2.82Å
673	E	95	Very high	78.2	Confident	73 Å²	73	61.7 Å²	61.7	34%	0.341	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	149.5	165.8	-78.6	176.3	-159.8	0	0	110.4	K591 L592 Y593 G594	K591-E673 WeakPolarHBondContact CE-OE1 3.14Å; K591-E673 WeakPolarHBondContact CE-OE2 3.27Å; K591-E673 IonicContact NZ-OE1 3.89Å; K591-E673 PolarHBondContact NZ-OE1 2.92Å; K591-E673 IonicContact NZ-OE2 3.28Å; K591-E673 PolarHBondContact NZ-OE2 3.42Å; L592-E673 PolarHBondContact O-N 2.86Å; Y593-E673 WeakPolarHBondContact CA-O 3.46Å; Y593-E673 HydrophobicContact CD1-CB 3.92Å; Y593-E673 HydrophobicContact CE1-CB 4.15Å; Y593-E673 VanDerWaalsContact CE1-OE2 3.31Å; Y593-E673 WeakPolarHBondContact CE1-OE2 3.27Å; G594-E673 PolarHBondContact N-O 2.89Å
674	V	93.8	Very high	75.8	Confident	20 Å²	20	67.3 Å²	67.3	12%	0.121	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	115.1	-174.6	179.3	0	0	0	0	110.1	G594 E596 V646 K648 V651	G594-V674 CarbonylContact O-C 3.48Å; G594-V674 WeakPolarHBondContact O-CA 3.2Å; E596-V674 HydrophobicContact CB-CG1 3.93Å; V646-V674 HydrophobicContact CG1-CB 4.25Å; V646-V674 HydrophobicContact CG1-CG1 3.82Å; V646-V674 HydrophobicContact CG1-CG2 3.4Å; V646-V674 VanDerWaalsContact CG1-CG2 3.4Å; K648-V674 HydrophobicContact CG-CG1 4.45Å; V651-V674 HydrophobicContact CG2-CB 3.71Å; V651-V674 HydrophobicContact CG2-CG2 3.55Å
675	V	92.6	Very high	73.1	Confident	67 Å²	67	72.1 Å²	72.1	41%	0.406	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	124.2	177.9	-175.6	0	0	0	0	108.9	Y593 G594 E596	Y593-V675 HydrophobicContact CD1-CG2 4.42Å; G594-V675 PolarHBondContact O-N 2.95Å; E596-V675 PolarHBondContact N-O 2.86Å
676	P	87.5	Confident	70.6	Confident	60 Å²	60	76.1 Å²	76.1	39%	0.39	46%	0.462	S	S	.	.			trans	-61.7	139.8	177.4	-21.2	32.5	0	0	0	112.2	T678	P676-T678 PolarHBondContact O-N 2.8Å
677	S	76.8	Confident	68.2	Low	68 Å²	68	79.2 Å²	79.2	48%	0.476	49%	0.485	S	S	.	.			trans	-72.9	92.2	171.3	57.8	0	0	0	0	110.5	E596 S679	E596-S677 WeakPolarHBondContact O-CB 3.44Å; S677-S679 PolarHBondContact O-N 3.1Å
678	T	62.3	Low	65.5	Low	101 Å²	101	84.2 Å²	84.2	62%	0.62	51%	0.512	S	S	*	.			trans	-77.7	99.3	-175.8	52.8	0	0	0	0	112.5	P676	P676-T678 PolarHBondContact O-N 2.8Å
679	S	52.5	Low	62.5	Low	115 Å²	115	88.3 Å²	88.3	80%	0.804	54%	0.542	S	S	*	.			trans	-120.6	9	172.6	56.5	0	0	0	0	114.1	S677	S677-S679 PolarHBondContact O-N 3.1Å
680	S	44.6	Very low	60.2	Low	111 Å²	111	94 Å²	94	78%	0.776	58%	0.578	S	S	*	*	S	Bend	trans	-145.6	56.2	-167.8	67.2	0	0	0	0	114.8
681	S	41.3	Very low	57	Low	98 Å²	98	100.9 Å²	100.9	69%	0.685	62%	0.62	S	S	*	*			trans	-153.2	46.6	171.8	69.9	0	0	0	0	114.3
682	I	42.1	Very low	53.9	Low	177 Å²	177	109.8 Å²	109.8	91%	0.908	65%	0.648	S	S	*	*			trans	-117.1	64.7	167.4	-49.8	-178.6	0	0	0	109
683	S	39.2	Very low	50.7	Low	99 Å²	99	117.3 Å²	117.3	69%	0.692	69%	0.687	S	S	*	*			trans	-162.5	148.7	166.2	48.9	0	0	0	0	108.6
684	N	36.4	Very low	47.6	Very low	156 Å²	156	120.5 Å²	120.5	83%	0.834	71%	0.706	S	S	*	*			trans	78.3	74.5	179.3	-53	-10.6	0	0	0	116.9
685	L	32.3	Very low	45.2	Very low	172 Å²	172	123.8 Å²	123.8	90%	0.901	73%	0.728	S	S	*	*			trans	-116.5	119.5	143.4	-95.7	163.4	0	0	0	107.1
686	P	36.5	Very low	42.1	Very low	126 Å²	126	132.1 Å²	132.1	82%	0.818	75%	0.753	S	S	*	*			trans	-66.7	143.9	177.4	-20.5	33.1	0	0	0	112
687	S	38.6	Very low	39.3	Very low	111 Å²	111	135 Å²	135	78%	0.776	77%	0.774	S	S	*	*			trans	-88.5	124.2	169.8	53	0	0	0	0	110.7
688	D	32.2	Very low	37.1	Very low	145 Å²	145	135.7 Å²	135.7	78%	0.775	79%	0.792	S	S	*	*			trans	-163.2	120.3	137.6	-113.4	-31.7	0	0	0	113.8
689	S	29.3	Very low	35.5	Very low	100 Å²	100	134.9 Å²	134.9	70%	0.699	80%	0.804	S	S	*	*				63.1	154.2	117.8	-63.4	0	0	0	0	122
690	P	44.4	Very low	34.4	Very low	123 Å²	123	134.1 Å²	134.1	80%	0.799	80%	0.804	S	S	*	*				-123.2	163.4	-128.6	41.1	-31.2	0	0	0	116.5
691	V	29	Very low	34.1	Very low	147 Å²	147	134.4 Å²	134.4	89%	0.891	80%	0.803	S	S	*	*			trans	-125	145.6	168.4	-177.3	0	0	0	0	110.2
692	R	29.8	Very low	33.7	Very low	237 Å²	237	134.6 Å²	134.6	89%	0.894	81%	0.805	S	S	*	*			trans	-82.2	163.8	-172.5	-68.5	172.2	163.4	154.3	-7.4	113.5
693	L	28.8	Very low	33.3	Very low	157 Å²	157	134.1 Å²	134.1	82%	0.822	80%	0.803	S	S	*	*			trans	-61.9	166.4	155.8	-57.4	103.1	0	0	0	109.7
694	D	29.4	Very low	33.7	Very low	140 Å²	140	134.1 Å²	134.1	75%	0.749	80%	0.799	S	S	*	*			cis	-154.1	-153.4	33.4	-158.9	26.7	0	0	0	112.1
695	P	43	Very low	33.8	Very low	89 Å²	89	133.1 Å²	133.1	58%	0.578	79%	0.794	S	S	*	*				-120.5	163	-112.4	39	-23.5	0	0	0	116.3
696	R	27.3	Very low	34.2	Very low	243 Å²	243	133 Å²	133	92%	0.917	79%	0.788	S	S	*	*			trans	180	159.5	135.1	-101.1	155.5	-171.5	-153.4	1.1	114.3
697	S	29.1	Very low	34.5	Very low	121 Å²	121	135.9 Å²	135.9	85%	0.846	79%	0.788	S	S	*	*			trans	66.6	108.3	165.2	-159.6	0	0	0	0	118
698	G	30.6	Very low	34.6	Very low	82 Å²	82	135.4 Å²	135.4	85%	0.845	78%	0.776	S	S	*	*			trans	-74.2	167.4	-175.7	0	0	0	0	0	116.9
699	G	28.6	Very low	35.1	Very low	84 Å²	84	137.3 Å²	137.3	87%	0.866	77%	0.773	S	S	*	*			trans	175.4	108.9	177.1	0	0	0	0	0	110.6
700	A	29.7	Very low	35.9	Very low	98 Å²	98	139.3 Å²	139.3	81%	0.81	77%	0.766	S	S	*	*			trans	-116.7	152	172.1	0	0	0	0	0	107.5
701	P	39.6	Very low	35.7	Very low	118 Å²	118	141 Å²	141	77%	0.766	76%	0.756	S	S	*	*			cis	-143.2	154.6	44.1	39.2	-19.9	0	0	0	119.1
702	S	31.1	Very low	36.4	Very low	102 Å²	102	137.5 Å²	137.5	71%	0.713	73%	0.733	S	S	*	*			trans	30.1	111.6	141.9	-160.2	0	0	0	0	120.9
703	L	35.7	Very low	37	Very low	166 Å²	166	131.3 Å²	131.3	87%	0.869	71%	0.712	S	S	*	*			trans	-134.4	74.1	162.8	-92.8	169.8	0	0	0	111.2
704	T	46.2	Very low	37.7	Very low	99 Å²	99	128 Å²	128	61%	0.607	69%	0.694	S	S	*	*			trans	-126.1	-17.2	-176.3	46	0	0	0	0	116.3	Q706	T704-Q706 PolarHBondContact O-N 2.74Å
705	N	39.4	Very low	38.3	Very low	135 Å²	135	127.8 Å²	127.8	72%	0.722	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-14.9	-172	-87.7	-5.9	0	0	0	116.5	K707	N705-K707 PolarHBondContact O-N 3.01Å
706	Q	39.5	Very low	38.3	Very low	169 Å²	169	130 Å²	130	79%	0.79	70%	0.695	S	S	*	*	H	α-helix	trans	-75	-20.1	-175	-76.2	-175.5	-16.5	0	0	114.9	T704	T704-Q706 PolarHBondContact O-N 2.74Å
707	K	43.7	Very low	39	Very low	188 Å²	188	122 Å²	122	82%	0.817	67%	0.673	S	S	*	*	H	α-helix	trans	-90	-16.6	-174.6	-75.3	-172.4	175.6	-179.2	0	115.3	N705	N705-K707 PolarHBondContact O-N 3.01Å
708	L	40.8	Very low	39.1	Very low	100 Å²	100	122.9 Å²	122.9	52%	0.524	67%	0.668	S	S	.	*	H	α-helix	trans	-78.1	-51.6	-179.3	-79	156.3	0	0	0	111.7	Y710 R711 D712	L708-Y710 PolarHBondContact O-N 2.82Å; L708-Y710 VanDerWaalsContact O-N 3.12Å; L708-R711 WeakPolarHBondContact O-CB 3.49Å; L708-R711 PolarHBondContact O-N 2.55Å; L708-D712 PolarHBondContact O-N 2.94Å
709	W	41.3	Very low	39.7	Very low	186 Å²	186	126.3 Å²	126.3	71%	0.705	66%	0.661	S	S	*	*	H	α-helix	trans	-52.5	-38.4	-178.4	176.5	69.8	0	0	0	114	R711 D712 F713	W709-R711 VanDerWaalsContact C-N 3.31Å; W709-R711 PolarHBondContact O-N 2.97Å; W709-D712 PolarHBondContact O-N 2.93Å; W709-F713 WeakPolarHBondContact O-CB 3.34Å; W709-F713 PolarHBondContact O-N 3.36Å
710	Y	46.2	Very low	40.2	Very low	142 Å²	142	126.3 Å²	126.3	56%	0.557	65%	0.646	S	S	*	*	H	α-helix	trans	-62.2	-36.8	176.9	-174.6	-98.3	0	0	0	112.8	L708 M714	L708-Y710 PolarHBondContact O-N 2.82Å; L708-Y710 VanDerWaalsContact O-N 3.12Å; Y710-M714 HydrophobicContact CD1-CG 4.41Å; Y710-M714 HydrophobicContact CE1-CG 4.1Å; Y710-M714 VanDerWaalsContact O-CG 3.25Å; Y710-M714 WeakPolarHBondContact O-CG 3.27Å; Y710-M714 PolarHBondContact O-N 3.38Å; Y710-M714 VanDerWaalsContact O-N 3.14Å
711	R	41.3	Very low	40.7	Very low	158 Å²	158	127.9 Å²	127.9	60%	0.596	64%	0.641	S	S	*	*	H	α-helix	trans	-73.8	-40.6	-179	-156	-173.8	73.4	163.6	5.5	111.5	L708 W709 M714 Q715	L708-R711 WeakPolarHBondContact O-CB 3.49Å; L708-R711 PolarHBondContact O-N 2.55Å; W709-R711 VanDerWaalsContact C-N 3.31Å; W709-R711 PolarHBondContact O-N 2.97Å; R711-M714 PolarHBondContact O-N 2.9Å; R711-Q715 PolarHBondContact O-N 2.79Å; R711-Q715 VanDerWaalsContact O-N 3.15Å
712	D	42.6	Very low	40.8	Very low	74 Å²	74	129.1 Å²	129.1	40%	0.396	64%	0.64	S	S	.	*	H	α-helix	trans	-72.4	-32.3	-179.8	-53.6	-23.5	0	0	0	111.1	L708 W709 Q715 L716	L708-D712 PolarHBondContact O-N 2.94Å; W709-D712 PolarHBondContact O-N 2.93Å; D712-Q715 PolarHBondContact O-N 3.43Å; D712-L716 PolarHBondContact O-N 3.43Å
713	F	44.1	Very low	41.4	Very low	106 Å²	106	127.9 Å²	127.9	47%	0.465	63%	0.632	S	S	.	*	H	α-helix	trans	-65.3	-44.4	169.9	-174.3	-97.7	0	0	0	112.2	W709 Q715 L716 V717	W709-F713 WeakPolarHBondContact O-CB 3.34Å; W709-F713 PolarHBondContact O-N 3.36Å; F713-Q715 VanDerWaalsContact C-N 3.26Å; F713-Q715 PolarHBondContact O-N 2.99Å; F713-L716 PolarHBondContact O-N 3.2Å; F713-V717 HydrophobicContact CD1-CG2 4.04Å; F713-V717 HydrophobicContact CE1-CG2 3.64Å; F713-V717 HydrophobicContact CZ-CG2 3.96Å; F713-V717 WeakPolarHBondContact O-CG2 3.48Å; F713-V717 PolarHBondContact O-N 3.06Å
714	M	42.2	Very low	42	Very low	87 Å²	87	122.3 Å²	122.3	43%	0.429	61%	0.605	S	S	.	*	H	α-helix	trans	-61.6	-33.9	176.8	-71.6	-69.2	-69.5	0	0	112.4	Y710 R711 L716 V717 D718	Y710-M714 HydrophobicContact CD1-CG 4.41Å; Y710-M714 HydrophobicContact CE1-CG 4.1Å; Y710-M714 VanDerWaalsContact O-CG 3.25Å; Y710-M714 WeakPolarHBondContact O-CG 3.27Å; Y710-M714 PolarHBondContact O-N 3.38Å; Y710-M714 VanDerWaalsContact O-N 3.14Å; R711-M714 PolarHBondContact O-N 2.9Å; M714-L716 PolarHBondContact O-N 2.93Å; M714-V717 PolarHBondContact O-N 3.3Å; M714-D718 PolarHBondContact O-N 3.17Å
715	Q	43.3	Very low	42.1	Very low	137 Å²	137	120.7 Å²	120.7	64%	0.64	60%	0.595	S	S	*	*	H	α-helix	trans	-70.1	-15	173.7	-72	-171.8	-35.7	0	0	114.4	R711 D712 F713	R711-Q715 PolarHBondContact O-N 2.79Å; R711-Q715 VanDerWaalsContact O-N 3.15Å; D712-Q715 PolarHBondContact O-N 3.43Å; F713-Q715 VanDerWaalsContact C-N 3.26Å; F713-Q715 PolarHBondContact O-N 2.99Å
716	L	42.9	Very low	42.5	Very low	135 Å²	135	119.3 Å²	119.3	71%	0.707	59%	0.587	S	S	*	*	H	α-helix	trans	-94.5	-15.4	173.6	-72.5	165.8	0	0	0	113.5	D712 F713 M714	D712-L716 PolarHBondContact O-N 3.43Å; F713-L716 PolarHBondContact O-N 3.2Å; M714-L716 PolarHBondContact O-N 2.93Å
717	V	41.4	Very low	42.8	Very low	75 Å²	75	117 Å²	117	46%	0.455	58%	0.576	S	S	.	*	H	α-helix	trans	-91.5	-17.6	179.4	173.1	0	0	0	0	112.3	F713 M714 H719	F713-V717 HydrophobicContact CD1-CG2 4.04Å; F713-V717 HydrophobicContact CE1-CG2 3.64Å; F713-V717 HydrophobicContact CZ-CG2 3.96Å; F713-V717 WeakPolarHBondContact O-CG2 3.48Å; F713-V717 PolarHBondContact O-N 3.06Å; M714-V717 PolarHBondContact O-N 3.3Å; V717-H719 PolarHBondContact O-N 2.94Å
718	D	31.3	Very low	43.1	Very low	140 Å²	140	112.4 Å²	112.4	75%	0.749	56%	0.56	S	S	*	*			trans	-69.7	118.2	176.6	-136.3	-9.9	0	0	0	110.4	M714	M714-D718 PolarHBondContact O-N 3.17Å
719	H	42.3	Very low	43.5	Very low	153 Å²	153	110.6 Å²	110.6	71%	0.708	56%	0.555	S	S	*	*			trans	-129	143.2	178.6	-81.7	13.6	0	0	0	109.3	V717	V717-H719 PolarHBondContact O-N 2.94Å
720	P	39.3	Very low	44	Very low	85 Å²	85	108.1 Å²	108.1	55%	0.552	55%	0.551	S	S	*	*			trans	-70	155.8	-163.7	29.6	-37.1	0	0	0	112.9
721	N	41.5	Very low	44.2	Very low	130 Å²	130	106.9 Å²	106.9	70%	0.695	55%	0.55	S	S	*	*			trans	-47.4	150.6	-179.5	-72.5	-55.4	0	0	0	113.7	S723 T724	N721-S723 PolarHBondContact O-N 3.5Å; N721-S723 VanDerWaalsContact O-N 3.09Å; N721-T724 WeakPolarHBondContact O-CB 3.3Å; N721-T724 PolarHBondContact O-N 3.28Å; N721-T724 PolarHBondContact O-OG1 3.01Å
722	L	41.5	Very low	44.8	Very low	144 Å²	144	103.3 Å²	103.3	75%	0.754	55%	0.546	S	S	*	.	H	α-helix	trans	-51.4	-38.1	-177.2	-77.9	154.9	0	0	0	113.7	T724 V725 D726	L722-T724 PolarHBondContact O-N 3.39Å; L722-V725 WeakPolarHBondContact O-CB 3.42Å; L722-V725 PolarHBondContact O-N 2.71Å; L722-D726 PolarHBondContact O-N 2.7Å
723	S	43.7	Very low	45	Very low	76 Å²	76	108 Å²	108	53%	0.531	56%	0.558	S	S	.	*	H	α-helix	trans	-58.5	-30.5	176.4	50.8	0	0	0	0	114.1	N721 Q727	N721-S723 PolarHBondContact O-N 3.5Å; N721-S723 VanDerWaalsContact O-N 3.09Å; S723-Q727 WeakPolarHBondContact O-CG 3.4Å; S723-Q727 PolarHBondContact O-N 2.93Å
724	T	47.4	Very low	45.1	Very low	49 Å²	49	105.4 Å²	105.4	30%	0.301	56%	0.557	S	S	.	*	H	α-helix	trans	-78.6	-27.7	175.1	-6.6	0	0	0	0	112	N721 L722 I728	N721-T724 WeakPolarHBondContact O-CB 3.3Å; N721-T724 PolarHBondContact O-N 3.28Å; N721-T724 PolarHBondContact O-OG1 3.01Å; L722-T724 PolarHBondContact O-N 3.39Å; T724-I728 WeakPolarHBondContact O-CD1 3.04Å; T724-I728 VanDerWaalsContact O-CG1 3.23Å; T724-I728 WeakPolarHBondContact O-CG1 3.49Å; T724-I728 PolarHBondContact O-N 2.87Å
725	V	48	Very low	45.4	Very low	66 Å²	66	110.2 Å²	110.2	40%	0.4	57%	0.57	S	S	.	*	H	α-helix	trans	-70.7	-42.4	173.8	-178.1	0	0	0	0	110.7	L722 I728 C729	L722-V725 WeakPolarHBondContact O-CB 3.42Å; L722-V725 PolarHBondContact O-N 2.71Å; V725-I728 PolarHBondContact O-N 2.9Å; V725-C729 PolarHBondContact O-N 3.08Å; V725-C729 PolarHBondContact O-SG 2.86Å; V725-C729 VanDerWaalsContact O-SG 3.33Å
726	D	47.8	Very low	45.2	Very low	106 Å²	106	111 Å²	111	57%	0.567	57%	0.571	S	S	*	*	H	α-helix	trans	-61.8	-42.9	173.8	-69.2	-38.4	0	0	0	111.2	L722 I728 C729 E730	L722-D726 PolarHBondContact O-N 2.7Å; D726-I728 VanDerWaalsContact C-N 3.34Å; D726-I728 PolarHBondContact O-N 2.82Å; D726-C729 PolarHBondContact O-N 2.89Å; D726-E730 WeakPolarHBondContact O-CB 3.49Å; D726-E730 PolarHBondContact O-N 3.44Å
727	Q	45.7	Very low	45.1	Very low	119 Å²	119	113.8 Å²	113.8	56%	0.556	57%	0.573	S	S	*	*	H	α-helix	trans	-62.3	-36.1	173.5	-76.2	-178.9	0.1	0	0	113.3	S723 Q731	S723-Q727 WeakPolarHBondContact O-CG 3.4Å; S723-Q727 PolarHBondContact O-N 2.93Å; Q727-Q731 WeakPolarHBondContact O-CB 3.46Å; Q727-Q731 VanDerWaalsContact O-CG 3.3Å; Q727-Q731 WeakPolarHBondContact O-CG 3.25Å; Q727-Q731 PolarHBondContact O-N 3.34Å
728	I	50.5	Low	45.1	Very low	92 Å²	92	119 Å²	119	47%	0.472	59%	0.589	S	S	.	*	H	α-helix	trans	-69.8	-39.8	174.9	-72	163.8	0	0	0	110.6	T724 V725 D726 Q731 V732	T724-I728 WeakPolarHBondContact O-CD1 3.04Å; T724-I728 VanDerWaalsContact O-CG1 3.23Å; T724-I728 WeakPolarHBondContact O-CG1 3.49Å; T724-I728 PolarHBondContact O-N 2.87Å; V725-I728 PolarHBondContact O-N 2.9Å; D726-I728 VanDerWaalsContact C-N 3.34Å; D726-I728 PolarHBondContact O-N 2.82Å; I728-Q731 PolarHBondContact O-N 2.71Å; I728-V732 WeakPolarHBondContact O-CB 3.36Å; I728-V732 VanDerWaalsContact O-CG2 3.3Å; I728-V732 WeakPolarHBondContact O-CG2 3.34Å; I728-V732 PolarHBondContact O-N 3.04Å
729	C	48.6	Very low	45.6	Very low	62 Å²	62	120.4 Å²	120.4	42%	0.419	59%	0.591	S	S	.	*	H	α-helix	trans	-63.9	-46.4	175.1	-69.6	0	0	0	0	111.7	V725 D726 Q731 V732 W733	V725-C729 PolarHBondContact O-N 3.08Å; V725-C729 PolarHBondContact O-SG 2.86Å; V725-C729 VanDerWaalsContact O-SG 3.33Å; D726-C729 PolarHBondContact O-N 2.89Å; C729-Q731 PolarHBondContact O-N 3.42Å; C729-V732 PolarHBondContact O-N 3.17Å; C729-W733 WeakPolarHBondContact O-CB 3.47Å; C729-W733 PolarHBondContact O-N 2.95Å
730	E	53.1	Low	45.4	Very low	134 Å²	134	119.7 Å²	119.7	63%	0.626	59%	0.591	S	S	*	*	H	α-helix	trans	-55	-48.5	170.9	-89.2	-69.6	132.1	0	0	111.6	D726 V732 W733 A734	D726-E730 WeakPolarHBondContact O-CB 3.49Å; D726-E730 PolarHBondContact O-N 3.44Å; E730-V732 PolarHBondContact O-N 3.25Å; E730-W733 PolarHBondContact O-N 3.25Å; E730-A734 VanDerWaalsContact O-CB 3.22Å; E730-A734 WeakPolarHBondContact O-CB 3.46Å; E730-A734 PolarHBondContact O-N 2.88Å
731	Q	50.5	Low	45.1	Very low	116 Å²	116	121 Å²	121	54%	0.542	60%	0.597	S	S	.	*	H	α-helix	trans	-63.8	-36.8	178.3	-76.5	-175.8	24.1	0	0	113.3	Q727 I728 C729 R735	Q727-Q731 WeakPolarHBondContact O-CB 3.46Å; Q727-Q731 VanDerWaalsContact O-CG 3.3Å; Q727-Q731 WeakPolarHBondContact O-CG 3.25Å; Q727-Q731 PolarHBondContact O-N 3.34Å; I728-Q731 PolarHBondContact O-N 2.71Å; C729-Q731 PolarHBondContact O-N 3.42Å; Q731-R735 WeakPolarHBondContact O-CB 3.17Å; Q731-R735 WeakPolarHBondContact O-CG 3.39Å; Q731-R735 PolarHBondContact O-N 2.94Å
732	V	53.8	Low	44.7	Very low	84 Å²	84	120.2 Å²	120.2	51%	0.509	60%	0.599	S	S	.	*	H	α-helix	trans	-69.9	-40.2	175.7	169.8	0	0	0	0	111.1	I728 C729 E730 R735 K736	I728-V732 WeakPolarHBondContact O-CB 3.36Å; I728-V732 VanDerWaalsContact O-CG2 3.3Å; I728-V732 WeakPolarHBondContact O-CG2 3.34Å; I728-V732 PolarHBondContact O-N 3.04Å; C729-V732 PolarHBondContact O-N 3.17Å; E730-V732 PolarHBondContact O-N 3.25Å; V732-R735 PolarHBondContact O-N 2.88Å; V732-K736 PolarHBondContact O-N 2.9Å
733	W	45.9	Very low	44.1	Very low	171 Å²	171	121.4 Å²	121.4	65%	0.648	61%	0.606	S	S	*	*	H	α-helix	trans	-67.3	-40.9	174.7	-82.1	50.9	0	0	0	111.9	C729 E730 K736 R737	C729-W733 WeakPolarHBondContact O-CB 3.47Å; C729-W733 PolarHBondContact O-N 2.95Å; E730-W733 PolarHBondContact O-N 3.25Å; W733-K736 PolarHBondContact O-N 3.24Å; W733-R737 PolarHBondContact O-N 3.21Å
734	A	47.3	Very low	43.5	Very low	53 Å²	53	120.9 Å²	120.9	44%	0.438	61%	0.612	S	S	.	*	H	α-helix	trans	-65.1	-36.1	175.4	0	0	0	0	0	112.5	E730 R737	E730-A734 VanDerWaalsContact O-CB 3.22Å; E730-A734 WeakPolarHBondContact O-CB 3.46Å; E730-A734 PolarHBondContact O-N 2.88Å; A734-R737 PolarHBondContact O-N 3.45Å
735	R	46.6	Very low	43.1	Very low	187 Å²	187	124.9 Å²	124.9	71%	0.706	64%	0.639	S	S	*	*	H	α-helix	trans	-63.6	-46.2	169.6	-77	177.8	-177.7	-171.5	2.5	111.2	Q731 V732 R737 K738	Q731-R735 WeakPolarHBondContact O-CB 3.17Å; Q731-R735 WeakPolarHBondContact O-CG 3.39Å; Q731-R735 PolarHBondContact O-N 2.94Å; V732-R735 PolarHBondContact O-N 2.88Å; R735-R737 VanDerWaalsContact C-N 3.29Å; R735-R737 PolarHBondContact O-N 2.62Å; R735-K738 PolarHBondContact O-N 3.42Å
736	K	40.4	Very low	42.2	Very low	153 Å²	153	126 Å²	126	67%	0.665	66%	0.656	S	S	*	*	H	α-helix	trans	-60.2	-33	176.4	-108.7	-175.9	175.2	-177.1	0	113.9	V732 W733 K738 E739	V732-K736 PolarHBondContact O-N 2.9Å; W733-K736 PolarHBondContact O-N 3.24Å; K736-K738 VanDerWaalsContact C-N 3.25Å; K736-K738 PolarHBondContact O-N 2.65Å; K736-E739 PolarHBondContact O-N 2.68Å
737	R	41.2	Very low	41.2	Very low	194 Å²	194	128 Å²	128	73%	0.732	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-12.8	173.8	-68.5	-168.6	-167.8	-165.4	8.1	114.2	W733 A734 R735	W733-R737 PolarHBondContact O-N 3.21Å; A734-R737 PolarHBondContact O-N 3.45Å; R735-R737 VanDerWaalsContact C-N 3.29Å; R735-R737 PolarHBondContact O-N 2.62Å
738	K	39.7	Very low	40.3	Very low	184 Å²	184	133.2 Å²	133.2	80%	0.8	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-8.5	175	-75.6	-169.6	173.3	-174.8	0	114.5	R735 K736	R735-K738 PolarHBondContact O-N 3.42Å; K736-K738 VanDerWaalsContact C-N 3.25Å; K736-K738 PolarHBondContact O-N 2.65Å
739	E	41.8	Very low	39.5	Very low	170 Å²	170	134.4 Å²	134.4	79%	0.794	70%	0.7	S	S	*	*	S	Bend	trans	-102.1	0.4	177.8	-67.1	-174.4	136.5	0	0	113.8	K736	K736-E739 PolarHBondContact O-N 2.68Å
740	I	39	Very low	38.4	Very low	138 Å²	138	135.5 Å²	135.5	71%	0.708	71%	0.713	S	S	*	*			trans	-128.9	90.3	177.5	-52.7	-179.8	0	0	0	110.3
741	V	32.3	Very low	37.2	Very low	112 Å²	112	134.8 Å²	134.8	68%	0.679	71%	0.714	S	S	*	*			trans	-121.6	115	161.8	178.8	0	0	0	0	107.7	L743	V741-L743 PolarHBondContact O-N 2.61Å
742	P	33.5	Very low	36.1	Very low	114 Å²	114	137.3 Å²	137.3	74%	0.74	72%	0.723	S	S	*	*			trans	-77.5	121.2	177.6	30	-32	0	0	0	110.6	G744	P742-G744 PolarHBondContact O-N 2.96Å; P742-G744 VanDerWaalsContact O-N 3.16Å
743	L	29.4	Very low	34.8	Very low	169 Å²	169	142.1 Å²	142.1	89%	0.885	74%	0.737	S	S	*	*			trans	-76.4	100.1	169.8	-89.2	81.4	0	0	0	110.5	V741	V741-L743 PolarHBondContact O-N 2.61Å
744	G	30.4	Very low	33.8	Very low	65 Å²	65	144.6 Å²	144.6	67%	0.67	75%	0.746	S	S	*	*			trans	-76.4	150.3	152.3	0	0	0	0	0	110.7	P742	P742-G744 PolarHBondContact O-N 2.96Å; P742-G744 VanDerWaalsContact O-N 3.16Å
745	P	39.9	Very low	32.7	Very low	133 Å²	133	150.8 Å²	150.8	86%	0.864	76%	0.763	S	S	*	*			trans	-90.4	143	-176.5	34.4	-33.8	0	0	0	113.2
746	A	27.9	Very low	31.8	Very low	91 Å²	91	148.4 Å²	148.4	75%	0.752	76%	0.76	S	S	*	*			trans	-170.6	148.4	140.8	0	0	0	0	0	114.5
747	V	28.4	Very low	31.1	Very low	147 Å²	147	148 Å²	148	89%	0.891	76%	0.764	S	S	*	*			trans	64.3	148.3	158.7	-139.7	0	0	0	0	121
748	R	25	Very low	30.5	Very low	229 Å²	229	145.6 Å²	145.6	86%	0.864	76%	0.761	S	S	*	*			trans	-96	-169.1	174.3	-55.4	175.8	170.8	174.6	-3.7	109.1
749	P	34.8	Very low	30	Very low	117 Å²	117	144.4 Å²	144.4	76%	0.76	76%	0.759	S	S	*	*			cis	-146.3	174.6	3.6	45.3	-26	0	0	0	119.6
750	A	25.4	Very low	29.5	Very low	85 Å²	85	142.8 Å²	142.8	70%	0.702	75%	0.754	S	S	*	*			trans	83.9	143.7	138.2	0	0	0	0	0	124
751	N	27.3	Very low	29.1	Very low	119 Å²	119	146 Å²	146	64%	0.636	76%	0.757	S	S	*	*			trans	80.6	94.1	149.4	-72.3	-39.6	0	0	0	122.7
752	K	27.9	Very low	29.1	Very low	169 Å²	169	149.8 Å²	149.8	74%	0.735	76%	0.764	S	S	*	*				68.9	125.8	112.2	-72.1	171	-171	148.4	0	121.7
753	K	26.8	Very low	28.8	Very low	184 Å²	184	147.8 Å²	147.8	80%	0.8	76%	0.764	S	S	*	*			trans	76.5	152.5	140.2	-70.8	178.3	175.3	-173.7	0	118.7
754	W	24.4	Very low	29	Very low	223 Å²	223	151.7 Å²	151.7	85%	0.845	77%	0.768	S	S	*	*			cis	172.6	146.1	-32.9	-117.2	101.2	0	0	0	106.9
755	K	25.2	Very low	29.1	Very low	183 Å²	183	154.9 Å²	154.9	80%	0.796	77%	0.769	S	S	*	*			trans	70	162.8	179.1	-48	178.6	179	-174.5	0	113.8
756	H	27	Very low	28.9	Very low	138 Å²	138	159.2 Å²	159.2	64%	0.639	77%	0.768	S	S	*	*			cis	-144	134.5	4.8	-156.7	-93.5	0	0	0	106.4
757	L	25.9	Very low	29.3	Very low	145 Å²	145	163.6 Å²	163.6	76%	0.759	77%	0.765	S	S	*	*				67.7	146.2	59.3	-117.4	174.9	0	0	0	115.5
758	Q	28.5	Very low	29.8	Very low	142 Å²	142	162.5 Å²	162.5	66%	0.664	76%	0.759	S	S	*	*			trans	70	112.7	-170.7	-65.7	177.1	-45.3	0	0	114.5
759	E	28.9	Very low	30.2	Very low	160 Å²	160	158 Å²	158	75%	0.748	75%	0.747	S	S	*	*				80.8	130.6	54.2	-75.6	-163.7	119.5	0	0	114
760	I	30.5	Very low	30.1	Very low	136 Å²	136	159.2 Å²	159.2	70%	0.697	75%	0.748	S	S	*	*				179.9	119.8	113.4	-95.4	167.6	0	0	0	111.5
761	R	31.7	Very low	30.3	Very low	206 Å²	206	157.7 Å²	157.7	78%	0.777	74%	0.74	S	S	*	*			trans	45.1	149.4	134.9	-64	167	176.4	177.1	-1.6	120
762	K	31.6	Very low	30.5	Very low	190 Å²	190	161.7 Å²	161.7	83%	0.826	75%	0.752	S	S	*	*			cis	-163.6	165.8	7.3	-103.2	153.9	-179.8	-178.7	0	106
763	G	28.6	Very low	31.7	Very low	72 Å²	72	158.7 Å²	158.7	74%	0.742	75%	0.75	S	S	*	*			cis	139.6	109.9	-4.7	0	0	0	0	0	114.1
764	R	32.8	Very low	31.9	Very low	252 Å²	252	155.5 Å²	155.5	95%	0.951	75%	0.75	S	S	*	*			trans	-178.6	119.7	164.8	-105	172.7	179.3	175.1	-0.4	107.6
765	N	32.8	Very low	32.2	Very low	131 Å²	131	150.2 Å²	150.2	70%	0.701	75%	0.747	S	S	*	*			cis	87.8	94.3	4	-158.5	-1.3	0	0	0	118.6
766	R	35.3	Very low	32.6	Very low	224 Å²	224	153 Å²	153	85%	0.845	75%	0.753	S	S	*	*				-155.2	129.6	125.4	-96	-177.4	170.9	171.1	-4.5	107
767	R	37.5	Very low	33	Very low	184 Å²	184	150.6 Å²	150.6	69%	0.694	76%	0.757	S	S	*	*				73.8	145	64.1	-69.9	-170.2	-170.8	-171.2	0.2	112.7
768	T	37.2	Very low	34.4	Very low	124 Å²	124	149 Å²	149	76%	0.761	76%	0.756	S	S	*	*			cis	-117	-170.3	10.9	48.4	0	0	0	0	111.7
769	H	34.5	Very low	34.8	Very low	133 Å²	133	153.5 Å²	153.5	62%	0.616	77%	0.767	S	S	*	*			cis	-164.8	178.1	-38.7	-99.8	-146.9	0	0	0	106.6
770	D	32.8	Very low	35.4	Very low	143 Å²	143	151.6 Å²	151.6	77%	0.765	77%	0.771	S	S	*	*			cis	-132.7	-129.5	-0.2	-144.1	-56.5	0	0	0	111.5
771	G	29.9	Very low	35.9	Very low	53 Å²	53	153.5 Å²	153.5	55%	0.546	81%	0.807	S	S	.	*			cis	114.4	107.2	2.1	0	0	0	0	0	111.7
772	K	30.3	Very low	36.1	Very low	204 Å²	204	150.9 Å²	150.9	89%	0.887	81%	0.808	S	S	*	*			cis	84.2	147.3	13.9	-75.8	-167.1	172	-176.6	0	117.6
773	P	54	Low	36.3	Very low	105 Å²	105	148.8 Å²	148.8	68%	0.682	81%	0.807	S	S	*	*			cis	-147	-170.1	-42	42.3	-23.9	0	0	0	114.9
774	S	31.2	Very low	36.8	Very low	117 Å²	117	153.1 Å²	153.1	82%	0.818	81%	0.811	S	S	*	*			trans	77.6	162.2	161.5	84.3	0	0	0	0	117.5
775	S	30.4	Very low	37	Very low	112 Å²	112	147.2 Å²	147.2	78%	0.783	80%	0.803	S	S	*	*			cis	-151.2	-177.2	9.4	67.9	0	0	0	0	114.2
776	R	33.7	Very low	37.3	Very low	241 Å²	241	148.3 Å²	148.3	91%	0.909	81%	0.809	S	S	*	*			trans	-69	160.3	168.5	-80.1	172.8	172.9	168.9	-4.9	111.1
777	A	34.4	Very low	37.4	Very low	89 Å²	89	143.2 Å²	143.2	74%	0.736	81%	0.807	S	S	*	*			cis	-165.3	-149.6	-2.9	0	0	0	0	0	105.6
778	P	55	Low	37.4	Very low	112 Å²	112	140.3 Å²	140.3	73%	0.727	82%	0.815	S	S	*	*			cis	-136.6	179.6	-16.2	44.3	-26.9	0	0	0	116.4
779	R	38.8	Very low	37.4	Very low	236 Å²	236	141.5 Å²	141.5	89%	0.891	82%	0.819	S	S	*	*			trans	48.4	139.8	148.5	-77.3	-176.5	178.6	-178.8	-0.4	123.2
780	S	41.2	Very low	37.6	Very low	120 Å²	120	142.3 Å²	142.3	84%	0.839	84%	0.836	S	S	*	*			trans	69.1	145.3	158.3	-55.6	0	0	0	0	116.5
781	A	40	Very low	38.1	Very low	175 Å²	175	142.2 Å²	142.2	100%	1.446	84%	0.842	S	S	*	*			cis	-113.4	0	10.8	0	0	0	0	0	114

Retrieved 781 of 781 residues in 619.1 ms (Link to these results)

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