A0A087Y416_POEFO Loading...

Leucine-rich glioma-inactivated protein 1

AlphaFold DB , UniProt , Accession A0A087Y416, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 545 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.7	Very low	35.5	Very low	253 Å²	253	158.9 Å²	158.9	100%	1.246	87%	0.874	S	S	*	*				0	115.5	0	-67.8	166.6	172.1	0	0	106.5
2	G	34.1	Very low	35.9	Very low	79 Å²	79	166.7 Å²	166.7	81%	0.814	88%	0.881	S	S	*	*			cis	151.3	109.6	14	0	0	0	0	0	105.3
3	R	33.7	Very low	36.3	Very low	244 Å²	244	164.8 Å²	164.8	92%	0.921	88%	0.88	S	S	*	*			trans	-49.4	-179.4	173	-79.7	-175.9	177	-173.7	0.1	113.1
4	P	48.5	Very low	36.9	Very low	127 Å²	127	163.8 Å²	163.8	83%	0.825	88%	0.883	S	S	*	*			cis	-139.2	-174.5	13.6	21.1	7.9	0	0	0	113
5	G	34.2	Very low	37.4	Very low	64 Å²	64	163.5 Å²	163.5	66%	0.66	88%	0.879	S	S	*	*			cis	119.3	132.3	17.2	0	0	0	0	0	111.4
6	R	35.6	Very low	37.6	Very low	257 Å²	257	162.7 Å²	162.7	97%	0.97	87%	0.871	S	S	*	*			trans	159.9	130.1	155.4	-92.4	175	-147	-146.2	5.9	107.3
7	G	31.5	Very low	37.8	Very low	73 Å²	73	166.6 Å²	166.6	75%	0.753	87%	0.871	S	S	*	*			cis	109.7	106.5	16.2	0	0	0	0	0	110.1
8	W	33.6	Very low	38.2	Very low	265 Å²	265	165.1 Å²	165.1	100%	1.004	87%	0.869	S	S	*	*			trans	-146.4	137.9	155.7	-132.4	-4.5	0	0	0	113.1
9	R	34.7	Very low	38.6	Very low	238 Å²	238	161.7 Å²	161.7	90%	0.898	87%	0.867	S	S	*	*			trans	-92.1	149.7	-169.6	-70.7	172.7	164	-152.5	-3.8	110.5
10	G	31.7	Very low	39.2	Very low	84 Å²	84	157 Å²	157	87%	0.866	85%	0.852	S	S	*	*				81.4	129.8	104.3	0	0	0	0	0	112.1
11	G	32.2	Very low	39.7	Very low	64 Å²	64	155.9 Å²	155.9	66%	0.66	85%	0.85	S	S	*	*			cis	125.7	112.5	28.7	0	0	0	0	0	107.8
12	W	40.1	Very low	39.5	Very low	252 Å²	252	150 Å²	150	96%	0.955	83%	0.832	S	S	*	*			trans	55.8	105.9	150	-67.2	54.8	0	0	0	118.7
13	T	41.5	Very low	39.9	Very low	142 Å²	142	153.4 Å²	153.4	87%	0.871	83%	0.831	S	S	*	*			trans	-174.8	157.3	136.5	27.5	0	0	0	0	108.6
14	V	45	Very low	40.7	Very low	151 Å²	151	148 Å²	148	92%	0.915	82%	0.824	S	S	*	*			trans	91.1	58.8	-178.9	-155.4	0	0	0	0	114.9
15	L	43.8	Very low	40.4	Very low	159 Å²	159	149.8 Å²	149.8	83%	0.832	83%	0.826	S	S	*	*			trans	-110.3	128.9	155.7	-126	148.6	0	0	0	107.3
16	M	40.9	Very low	40.8	Very low	151 Å²	151	152.8 Å²	152.8	74%	0.744	83%	0.832	S	S	*	*	S	Bend	trans	85.3	131.5	161.4	-58.7	-132	-81.8	0	0	119.4
17	W	41.2	Very low	41	Very low	230 Å²	230	147.5 Å²	147.5	87%	0.871	82%	0.823	S	S	*	*			trans	93	71.6	169.5	-56.1	95.7	0	0	0	117.1
18	V	44.1	Very low	41.6	Very low	139 Å²	139	146.7 Å²	146.7	84%	0.842	82%	0.815	S	S	*	*				-148.4	71.2	113.5	-171.3	0	0	0	0	107.9	A20	V18-A20 VanDerWaalsContact C-N 3.28Å; V18-A20 PolarHBondContact O-N 2.85Å
19	A	47.3	Very low	42	Very low	101 Å²	101	145.9 Å²	145.9	84%	0.835	81%	0.812	S	S	*	*			trans	-82.2	77.6	158	0	0	0	0	0	107.6
20	A	49.9	Very low	42.5	Very low	67 Å²	67	145.8 Å²	145.8	55%	0.554	81%	0.811	S	S	*	*			trans	-170.4	127.6	165.2	0	0	0	0	0	108.1	V18	V18-A20 VanDerWaalsContact C-N 3.28Å; V18-A20 PolarHBondContact O-N 2.85Å
21	V	48.6	Very low	43.3	Very low	133 Å²	133	146.7 Å²	146.7	81%	0.806	80%	0.804	S	S	*	*	S	Bend	trans	81.8	61.4	174.4	-156.6	0	0	0	0	115.5
22	C	37	Very low	44.4	Very low	131 Å²	131	154.7 Å²	154.7	89%	0.885	81%	0.814	S	S	*	*				-150.4	51	128	-101.6	0	0	0	0	108.9	V24	C22-V24 PolarHBondContact O-N 3.35Å
23	L	43.6	Very low	45.3	Very low	150 Å²	150	149.1 Å²	149.1	79%	0.785	80%	0.799	S	S	*	*			trans	-75.7	45	169.1	-112.5	163.3	0	0	0	110.8
24	V	49	Very low	46.5	Very low	129 Å²	129	145 Å²	145	78%	0.782	78%	0.775	S	S	*	*			trans	-142	84.1	170.3	-171.7	0	0	0	0	107	C22	C22-V24 PolarHBondContact O-N 3.35Å
25	L	43.8	Very low	48.3	Very low	165 Å²	165	147.8 Å²	147.8	86%	0.864	77%	0.769	S	S	*	*			trans	170.4	48.6	150.1	-85.8	179.1	0	0	0	107.9	D27	L25-D27 PolarHBondContact O-N 2.84Å
26	T	41.7	Very low	50.4	Low	127 Å²	127	142.6 Å²	142.6	78%	0.779	75%	0.746	S	S	*	*			trans	-77.3	74	153.2	52.5	0	0	0	0	106.5	G28	T26-G28 PolarHBondContact O-N 3.38Å; T26-G28 VanDerWaalsContact O-N 3.11Å
27	D	40.3	Very low	52.8	Low	146 Å²	146	136.1 Å²	136.1	78%	0.781	72%	0.715	S	S	*	*			trans	-68.1	106.5	158.5	-164.1	15.3	0	0	0	105	L25 R29	L25-D27 PolarHBondContact O-N 2.84Å; D27-R29 PolarHBondContact O-N 3.46Å
28	G	42.9	Very low	55.1	Low	57 Å²	57	132.1 Å²	132.1	59%	0.588	72%	0.715	S	S	*	*			trans	-54.1	109.9	177.2	0	0	0	0	0	107.7	T26 R30	T26-G28 PolarHBondContact O-N 3.38Å; T26-G28 VanDerWaalsContact O-N 3.11Å; G28-R30 PolarHBondContact O-N 3.4Å
29	R	43.2	Very low	57.2	Low	248 Å²	248	127.5 Å²	127.5	94%	0.936	70%	0.696	S	S	*	*			trans	-61	84.2	159.5	-87.1	-177	174	175.9	-1.3	106.6	D27 S31	D27-R29 PolarHBondContact O-N 3.46Å; R29-S31 PolarHBondContact O-N 2.88Å
30	R	44.4	Very low	59.4	Low	236 Å²	236	123.5 Å²	123.5	89%	0.891	66%	0.662	S	S	*	*			trans	-54.6	110.3	154	-79.1	-178.9	175	177.1	-1.1	104.2	G28 R32	G28-R30 PolarHBondContact O-N 3.4Å; R30-R32 PolarHBondContact O-N 3.15Å
31	S	49.5	Very low	61.5	Low	102 Å²	102	125.3 Å²	125.3	71%	0.713	67%	0.666	S	S	*	*			trans	-50.1	122.1	163.9	55.3	0	0	0	0	105.6	R29 Q33	R29-S31 PolarHBondContact O-N 2.88Å; S31-Q33 VanDerWaalsContact C-N 3.31Å; S31-Q33 PolarHBondContact O-N 2.9Å
32	R	55	Low	63.5	Low	232 Å²	232	120.7 Å²	120.7	88%	0.875	64%	0.639	S	S	*	*			trans	-61.1	104.7	173.4	-79.6	-177.1	172.8	-176.4	-0.9	105.1	R30	R30-R32 PolarHBondContact O-N 3.15Å
33	Q	58.9	Low	66	Low	135 Å²	135	118.2 Å²	118.2	63%	0.631	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-53.6	134.2	175.8	-78.6	-173.9	-33.5	0	0	107.8	S31 R35	S31-Q33 VanDerWaalsContact C-N 3.31Å; S31-Q33 PolarHBondContact O-N 2.9Å; Q33-R35 PolarHBondContact O-N 3.08Å
34	P	67	Low	68	Low	57 Å²	57	119 Å²	119	37%	0.37	62%	0.617	S	S	.	*	P	Polyproline II helix	trans	-51.8	132.3	177.2	-20.5	28.3	0	0	0	109.4	F59	P34-F59 WeakPolarHBondContact CB-O 3.33Å; P34-F59 WeakPolarHBondContact CG-O 3.22Å
35	R	82.1	Confident	70	Confident	208 Å²	208	116.5 Å²	116.5	79%	0.785	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-73.5	147.7	-179.4	-68.6	-178.4	177.8	178.3	-2.4	109.7	Q33	Q33-R35 PolarHBondContact O-N 3.08Å
36	C	88.8	Confident	72.3	Confident	51 Å²	51	111.7 Å²	111.7	35%	0.345	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-60	134.2	171.6	-168.5	0	0	0	0	110.1	C40 C42	C36-C40 PolarHBondContact SG-O 3.11Å; C36-C42 VanDerWaalsContact CA-SG 3.54Å; C36-C42 HydrophobicContact CB-CB 3.65Å; C36-C42 WeakPolarHBondContact CB-SG 3.22Å; C36-C42 WeakPolarHBondContact SG-CB 3.48Å; C36-C42 PolarHBondContact SG-N 3.18Å; C36-C42 CovalentContact SG-SG 2.04Å; C36-C42 PolarHBondContact SG-SG 3.19Å
37	P	91	Very high	74.8	Confident	14 Å²	14	105.8 Å²	105.8	9%	0.091	54%	0.538	C	S	.	.	P	Polyproline II helix	trans	-59.7	154.5	177.9	-20.3	27.1	0	0	0	113.7	G39 C40 P56 T58 F59	P37-G39 PolarHBondContact O-N 2.62Å; P37-C40 HydrophobicContact CB-CB 4.22Å; P37-C40 HydrophobicContact CG-CB 4.36Å; P37-C40 PolarHBondContact O-N 2.99Å; P37-C40 VanDerWaalsContact O-N 3.12Å; P37-P56 HydrophobicContact CB-CB 3.7Å; P37-P56 HydrophobicContact CB-CG 3.95Å; P37-P56 HydrophobicContact CG-CB 3.58Å; P37-P56 HydrophobicContact CG-CG 4.11Å; P37-T58 VanDerWaalsContact CD-O 3.27Å; P37-T58 WeakPolarHBondContact CD-O 3.05Å; P37-T58 WeakPolarHBondContact CG-O 3.4Å; P37-F59 HydrophobicContact CG-CD1 3.91Å; P37-F59 HydrophobicContact CG-CE1 3.73Å; P37-F59 HydrophobicContact CG-CG 4.5Å; P37-F59 HydrophobicContact CG-CZ 4.19Å
38	V	88.1	Confident	77.5	Confident	146 Å²	146	102 Å²	102	89%	0.885	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	130.5	169.2	-179.1	0	0	0	0	109.2	C40	V38-C40 VanDerWaalsContact C-N 3.35Å
39	G	88.8	Confident	80	Confident	42 Å²	42	99.2 Å²	99.2	43%	0.433	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	5.3	-173.8	0	0	0	0	0	113.9	P37 C49 E50	P37-G39 PolarHBondContact O-N 2.62Å; G39-C49 WeakPolarHBondContact O-CA 3.24Å; G39-E50 PolarHBondContact O-N 3.1Å
40	C	93.4	Very high	82.4	Confident	17 Å²	17	92 Å²	92	12%	0.115	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	149.6	173.2	-52.2	0	0	0	0	111.9	C36 P37 V38 L48 C49	C36-C40 PolarHBondContact SG-O 3.11Å; P37-C40 HydrophobicContact CB-CB 4.22Å; P37-C40 HydrophobicContact CG-CB 4.36Å; P37-C40 PolarHBondContact O-N 2.99Å; P37-C40 VanDerWaalsContact O-N 3.12Å; V38-C40 VanDerWaalsContact C-N 3.35Å; C40-L48 CarbonylContact C-O 3.58Å; C40-L48 WeakPolarHBondContact CA-O 3.44Å; C40-C49 HydrophobicContact CB-CB 4.09Å; C40-C49 WeakPolarHBondContact CB-SG 3.49Å; C40-C49 WeakPolarHBondContact SG-CB 3.34Å; C40-C49 CovalentContact SG-SG 2.04Å; C40-C49 PolarHBondContact SG-SG 3.33Å
41	T	93.4	Very high	84.6	Confident	105 Å²	105	86.2 Å²	86.2	64%	0.644	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	114.8	170.3	-56.1	0	0	0	0	107.8	L48	T41-L48 PolarHBondContact N-O 3.03Å; T41-L48 PolarHBondContact O-N 3.28Å
42	C	92.3	Very high	86.7	Confident	36 Å²	36	81.8 Å²	81.8	24%	0.243	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	139.4	-176.7	-52.2	0	0	0	0	111.2	C36 N46 P60	C36-C42 VanDerWaalsContact CA-SG 3.54Å; C36-C42 HydrophobicContact CB-CB 3.65Å; C36-C42 WeakPolarHBondContact CB-SG 3.22Å; C36-C42 WeakPolarHBondContact SG-CB 3.48Å; C36-C42 PolarHBondContact SG-N 3.18Å; C36-C42 CovalentContact SG-SG 2.04Å; C36-C42 PolarHBondContact SG-SG 3.19Å; C42-N46 WeakPolarHBondContact CA-O 3.35Å; C42-P60 HydrophobicContact CB-CG 4.28Å
43	T	89.1	Confident	88.5	Confident	79 Å²	79	81.7 Å²	81.7	49%	0.485	42%	0.421	S	S	.	.			trans	-107.5	-164	165.6	63.3	0	0	0	0	108.7	D45 N46	T43-D45 VanDerWaalsContact C-N 3.34Å; T43-D45 PolarHBondContact OG1-OD1 3.01Å; T43-N46 PolarHBondContact N-O 2.81Å; T43-N46 WeakPolarHBondContact OG1-CA 3.01Å; T43-N46 WeakPolarHBondContact OG1-CB 3.27Å; T43-N46 PolarHBondContact OG1-N 3.38Å; T43-N46 PolarHBondContact OG1-O 3.17Å
44	K	84.8	Confident	90.1	Very high	168 Å²	168	78.8 Å²	78.8	73%	0.73	42%	0.416	S	S	*	.	S	Bend	trans	-64.7	-40.4	178	-173.3	-178.3	176.5	-172.1	0	111.9	D62	K44-D62 CarbonylContact O-C 3.45Å; K44-D62 WeakPolarHBondContact O-CB 3.29Å
45	D	90.6	Very high	91.3	Very high	76 Å²	76	76.6 Å²	76.6	41%	0.406	40%	0.402	S	S	.	.	S	Bend	trans	-125.9	-15.1	-166.9	58.6	-22.1	0	0	0	113.4	T43 V63 V64 S65	T43-D45 VanDerWaalsContact C-N 3.34Å; T43-D45 PolarHBondContact OG1-OD1 3.01Å; D45-V63 WeakPolarHBondContact O-CA 3.44Å; D45-V64 HydrophobicContact CB-CG2 4.07Å; D45-V64 WeakPolarHBondContact O-CG2 3.38Å; D45-V64 PolarHBondContact O-N 2.96Å; D45-S65 PolarHBondContact O-N 3.18Å; D45-S65 VanDerWaalsContact O-N 3.08Å
46	N	93.4	Very high	91.7	Very high	64 Å²	64	67.6 Å²	67.6	34%	0.342	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	145.9	-179.3	-58.9	-86.8	0	0	0	112.4	C42 T43 S65	C42-N46 WeakPolarHBondContact CA-O 3.35Å; T43-N46 PolarHBondContact N-O 2.81Å; T43-N46 WeakPolarHBondContact OG1-CA 3.01Å; T43-N46 WeakPolarHBondContact OG1-CB 3.27Å; T43-N46 PolarHBondContact OG1-N 3.38Å; T43-N46 PolarHBondContact OG1-O 3.17Å; N46-S65 CarbonylContact C-O 3.3Å; N46-S65 VanDerWaalsContact CA-O 3.31Å; N46-S65 WeakPolarHBondContact CA-O 3.28Å; N46-S65 WeakPolarHBondContact OD1-CB 3.22Å; N46-S65 PolarHBondContact OD1-OG 3.02Å
47	A	94.7	Very high	91.6	Very high	2 Å²	2	70.6 Å²	70.6	2%	0.017	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	128.3	168.3	0	0	0	0	0	111.1	F59 V63 S65 L66 S67	A47-F59 HydrophobicContact CB-CD1 4.01Å; A47-F59 HydrophobicContact CB-CE1 4.07Å; A47-V63 HydrophobicContact CB-CG1 4.01Å; A47-V63 HydrophobicContact CB-CG2 4.38Å; A47-S65 PolarHBondContact N-O 2.79Å; A47-L66 HydrophobicContact CB-CD1 3.81Å; A47-L66 WeakPolarHBondContact O-CA 3.39Å; A47-S67 PolarHBondContact O-N 2.94Å
48	L	95.8	Very high	91.4	Very high	66 Å²	66	74.1 Å²	74.1	35%	0.346	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	118.1	174.8	173.4	63.9	0	0	0	109.4	C40 T41 E50 V69	C40-L48 CarbonylContact C-O 3.58Å; C40-L48 WeakPolarHBondContact CA-O 3.44Å; T41-L48 PolarHBondContact N-O 3.03Å; T41-L48 PolarHBondContact O-N 3.28Å; L48-E50 HydrophobicContact CG-CG 4.34Å; L48-V69 HydrophobicContact CD1-CG2 3.67Å
49	C	95.4	Very high	91.4	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.6	179.6	-63.4	0	0	0	0	110.9	G39 C40 V52 S67 F68 V69	G39-C49 WeakPolarHBondContact O-CA 3.24Å; C40-C49 HydrophobicContact CB-CB 4.09Å; C40-C49 WeakPolarHBondContact CB-SG 3.49Å; C40-C49 WeakPolarHBondContact SG-CB 3.34Å; C40-C49 CovalentContact SG-SG 2.04Å; C40-C49 PolarHBondContact SG-SG 3.33Å; C49-V52 HydrophobicContact CB-CG1 4.02Å; C49-V52 HydrophobicContact CB-CG2 4.14Å; C49-S67 PolarHBondContact N-O 2.97Å; C49-F68 HydrophobicContact CB-CD1 3.68Å; C49-F68 HydrophobicContact CB-CE1 3.76Å; C49-F68 WeakPolarHBondContact O-CA 3.49Å; C49-V69 PolarHBondContact O-N 2.84Å
50	E	94.8	Very high	91.2	Very high	97 Å²	97	67 Å²	67	45%	0.453	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.7	179.2	-58.8	-164.7	171.8	0	0	111.2	G39 L48 V52 V69	G39-E50 PolarHBondContact O-N 3.1Å; L48-E50 HydrophobicContact CG-CG 4.34Å; E50-V52 PolarHBondContact O-N 2.75Å; E50-V52 VanDerWaalsContact O-N 3.11Å; E50-V69 WeakPolarHBondContact CA-O 3.45Å; E50-V69 HydrophobicContact CG-CB 4.26Å
51	N	90.6	Very high	90.6	Very high	114 Å²	114	69.5 Å²	69.5	61%	0.61	37%	0.366	S	S	*	.	S	Bend	trans	55.5	26.2	177.8	-57.8	-57.6	0	0	0	115.1	V69 K70	N51-V69 PolarHBondContact N-O 3.38Å; N51-K70 WeakPolarHBondContact CA-O 3.36Å; N51-K70 PolarHBondContact N-O 2.86Å; N51-K70 PolarHBondContact OD1-O 2.91Å; N51-K70 VanDerWaalsContact OD1-O 3.13Å
52	V	93.6	Very high	90.2	Very high	9 Å²	9	68 Å²	68	6%	0.055	35%	0.354	C	S	.	.			trans	-74	140.9	176	-67.7	0	0	0	0	111.1	C49 E50 F68 G72 F73	C49-V52 HydrophobicContact CB-CG1 4.02Å; C49-V52 HydrophobicContact CB-CG2 4.14Å; E50-V52 PolarHBondContact O-N 2.75Å; E50-V52 VanDerWaalsContact O-N 3.11Å; V52-F68 HydrophobicContact CG2-CD1 3.84Å; V52-F68 HydrophobicContact CG2-CE1 3.99Å; V52-G72 WeakPolarHBondContact O-CA 3.42Å; V52-G72 PolarHBondContact O-N 2.93Å; V52-F73 HydrophobicContact CG2-CD1 4.18Å; V52-F73 HydrophobicContact CG2-CE1 3.81Å; V52-F73 PolarHBondContact O-N 3.3Å
53	R	91.9	Very high	90.2	Very high	229 Å²	229	66.5 Å²	66.5	86%	0.864	34%	0.344	S	S	*	.	S	Bend	trans	-88.3	-11	-176.2	-64.3	-175.8	-177	-177.6	0.2	114.6	F73	R53-F73 WeakPolarHBondContact O-CB 3.33Å
54	S	92.4	Very high	90.4	Very high	75 Å²	75	64.7 Å²	64.7	52%	0.524	33%	0.332	S	S	.	.	S	Bend	trans	-157.1	161.5	175.3	60.8	0	0	0	0	108.9	P56	S54-P56 WeakPolarHBondContact O-CD 3.37Å
55	V	92.4	Very high	90.9	Very high	10 Å²	10	57.4 Å²	57.4	6%	0.061	30%	0.302	C	S	.	.			trans	-63.9	117.7	172.4	-179.2	0	0	0	0	108.7	F68 F73 F81	V55-F68 HydrophobicContact CG1-CZ 4.17Å; V55-F73 HydrophobicContact CG2-CE1 4.26Å; V55-F73 HydrophobicContact CG2-CE2 4.12Å; V55-F73 HydrophobicContact CG2-CZ 3.97Å; V55-F81 HydrophobicContact CG1-CD1 4.06Å; V55-F81 HydrophobicContact CG1-CE1 3.52Å; V55-F81 HydrophobicContact CG1-CZ 4.02Å; V55-F81 HydrophobicContact CG2-CE1 4.48Å; V55-F81 HydrophobicContact CG2-CZ 4.19Å
56	P	91	Very high	91.2	Very high	20 Å²	20	53.8 Å²	53.8	13%	0.13	28%	0.283	C	S	.	.			trans	-66.3	146	179.5	-20.7	33.4	0	0	0	111.9	P37 S54 F59	P37-P56 HydrophobicContact CB-CB 3.7Å; P37-P56 HydrophobicContact CB-CG 3.95Å; P37-P56 HydrophobicContact CG-CB 3.58Å; P37-P56 HydrophobicContact CG-CG 4.11Å; S54-P56 WeakPolarHBondContact O-CD 3.37Å; P56-F59 HydrophobicContact CB-CE2 4Å; P56-F59 HydrophobicContact CB-CZ 3.83Å; P56-F59 HydrophobicContact CG-CZ 3.98Å; P56-F59 WeakPolarHBondContact O-CE2 3.13Å
57	H	87.2	Confident	91.3	Very high	113 Å²	113	51.7 Å²	51.7	52%	0.523	27%	0.274	S	S	.	.	S	Bend	trans	-99.6	-4.3	180	-58.1	-55.8	0	0	0	113.9	H83	H57-H83 AromaticContact CG-CD2 3.9Å; H57-H83 AromaticContact ND1-CD2 3.62Å; H57-H83 WeakPolarHBondContact O-CB 3.45Å
58	T	85.1	Confident	91.4	Very high	88 Å²	88	51.6 Å²	51.6	54%	0.54	27%	0.273	S	S	.	.			trans	-122.8	97.4	-173.2	56	0	0	0	0	111.4	P37	P37-T58 VanDerWaalsContact CD-O 3.27Å; P37-T58 WeakPolarHBondContact CD-O 3.05Å; P37-T58 WeakPolarHBondContact CG-O 3.4Å
59	F	87.9	Confident	91.4	Very high	15 Å²	15	49.8 Å²	49.8	7%	0.066	26%	0.264	C	S	.	.			trans	-116.8	154.4	173.8	-67.8	-83.6	0	0	0	111.1	P34 P37 A47 P56 L66 F68 T84	P34-F59 WeakPolarHBondContact CB-O 3.33Å; P34-F59 WeakPolarHBondContact CG-O 3.22Å; P37-F59 HydrophobicContact CG-CD1 3.91Å; P37-F59 HydrophobicContact CG-CE1 3.73Å; P37-F59 HydrophobicContact CG-CG 4.5Å; P37-F59 HydrophobicContact CG-CZ 4.19Å; A47-F59 HydrophobicContact CB-CD1 4.01Å; A47-F59 HydrophobicContact CB-CE1 4.07Å; P56-F59 HydrophobicContact CB-CE2 4Å; P56-F59 HydrophobicContact CB-CZ 3.83Å; P56-F59 HydrophobicContact CG-CZ 3.98Å; P56-F59 WeakPolarHBondContact O-CE2 3.13Å; F59-L66 HydrophobicContact CD1-CD1 4.38Å; F59-L66 HydrophobicContact CE1-CD1 3.58Å; F59-L66 HydrophobicContact CE2-CD2 4.11Å; F59-L66 HydrophobicContact CZ-CD1 3.67Å; F59-L66 HydrophobicContact CZ-CD2 3.97Å; F59-F68 HydrophobicContact CZ-CZ 4.46Å; F59-T84 HydrophobicContact CB-CG2 3.97Å; F59-T84 HydrophobicContact CD2-CG2 3.42Å; F59-T84 VanDerWaalsContact CD2-CG2 3.42Å; F59-T84 HydrophobicContact CE2-CG2 4.21Å; F59-T84 HydrophobicContact CG-CG2 4Å
60	P	86.3	Confident	91.3	Very high	25 Å²	25	56.2 Å²	56.2	16%	0.162	29%	0.292	C	S	.	.			trans	-53.2	140.9	168	-20.7	30.3	0	0	0	110.9	C42 D62 V63	C42-P60 HydrophobicContact CB-CG 4.28Å; P60-D62 PolarHBondContact O-N 2.65Å; P60-D62 VanDerWaalsContact O-N 3.07Å; P60-V63 HydrophobicContact CB-CG2 4.04Å; P60-V63 HydrophobicContact CG-CG2 4.15Å; P60-V63 WeakPolarHBondContact O-CG2 3.46Å; P60-V63 PolarHBondContact O-N 3.27Å
61	S	80.1	Confident	91.2	Very high	69 Å²	69	52.3 Å²	52.3	48%	0.483	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-22	-172.9	51.7	0	0	0	0	114.8
62	D	85.2	Confident	91.2	Very high	73 Å²	73	49.7 Å²	49.7	39%	0.39	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-1.4	-171.4	-54.8	-12.7	0	0	0	111.9	K44 P60 V64	K44-D62 CarbonylContact O-C 3.45Å; K44-D62 WeakPolarHBondContact O-CB 3.29Å; P60-D62 PolarHBondContact O-N 2.65Å; P60-D62 VanDerWaalsContact O-N 3.07Å; D62-V64 PolarHBondContact O-N 3.24Å
63	V	91.1	Very high	91.3	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.03	28%	0.275	C	S	.	.			trans	-68.6	119.7	177.4	176.3	0	0	0	0	109.8	D45 A47 P60 S65 L87	D45-V63 WeakPolarHBondContact O-CA 3.44Å; A47-V63 HydrophobicContact CB-CG1 4.01Å; A47-V63 HydrophobicContact CB-CG2 4.38Å; P60-V63 HydrophobicContact CB-CG2 4.04Å; P60-V63 HydrophobicContact CG-CG2 4.15Å; P60-V63 WeakPolarHBondContact O-CG2 3.46Å; P60-V63 PolarHBondContact O-N 3.27Å; V63-S65 WeakPolarHBondContact CG1-O 3.49Å; V63-L87 HydrophobicContact CG1-CD2 4.21Å
64	V	94.3	Very high	91.3	Very high	41 Å²	41	42.7 Å²	42.7	25%	0.248	25%	0.254	C	S	.	.			trans	-111.8	-12.6	176.4	-64	0	0	0	0	112.1	D45 D62 Q88 L89	D45-V64 HydrophobicContact CB-CG2 4.07Å; D45-V64 WeakPolarHBondContact O-CG2 3.38Å; D45-V64 PolarHBondContact O-N 2.96Å; D62-V64 PolarHBondContact O-N 3.24Å; V64-Q88 HydrophobicContact CB-CB 4.49Å; V64-Q88 HydrophobicContact CB-CG 4.37Å; V64-Q88 PolarHBondContact O-N 3.29Å; V64-L89 PolarHBondContact O-N 2.87Å
65	S	96.2	Very high	91.4	Very high	14 Å²	14	43.2 Å²	43.2	10%	0.098	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	124.9	-177.8	165.5	0	0	0	0	110.7	D45 N46 A47 V63 L89	D45-S65 PolarHBondContact O-N 3.18Å; D45-S65 VanDerWaalsContact O-N 3.08Å; N46-S65 CarbonylContact C-O 3.3Å; N46-S65 VanDerWaalsContact CA-O 3.31Å; N46-S65 WeakPolarHBondContact CA-O 3.28Å; N46-S65 WeakPolarHBondContact OD1-CB 3.22Å; N46-S65 PolarHBondContact OD1-OG 3.02Å; A47-S65 PolarHBondContact N-O 2.79Å; V63-S65 WeakPolarHBondContact CG1-O 3.49Å; S65-L89 WeakPolarHBondContact CA-O 3.17Å
66	L	95.9	Very high	91.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130.6	-175.8	179.1	60.1	0	0	0	110.6	A47 F59 F68 F81 L87 L89 L90 L91	A47-L66 HydrophobicContact CB-CD1 3.81Å; A47-L66 WeakPolarHBondContact O-CA 3.39Å; F59-L66 HydrophobicContact CD1-CD1 4.38Å; F59-L66 HydrophobicContact CE1-CD1 3.58Å; F59-L66 HydrophobicContact CE2-CD2 4.11Å; F59-L66 HydrophobicContact CZ-CD1 3.67Å; F59-L66 HydrophobicContact CZ-CD2 3.97Å; L66-F68 HydrophobicContact CD1-CE2 4.05Å; L66-F68 HydrophobicContact CD1-CZ 4.11Å; L66-F68 HydrophobicContact CD2-CE2 3.48Å; L66-F68 VanDerWaalsContact CD2-CE2 3.48Å; L66-F68 HydrophobicContact CD2-CZ 3.8Å; L66-F68 HydrophobicContact CG-CD2 4.22Å; L66-F68 HydrophobicContact CG-CE2 3.53Å; L66-F68 HydrophobicContact CG-CZ 4.03Å; L66-F81 HydrophobicContact CD2-CD1 4.17Å; L66-F81 HydrophobicContact CD2-CE1 4.15Å; L66-L87 HydrophobicContact CB-CD1 4.18Å; L66-L87 HydrophobicContact CB-CD2 3.75Å; L66-L87 HydrophobicContact CD2-CD1 4.03Å; L66-L89 PolarHBondContact N-O 2.98Å; L66-L90 HydrophobicContact CB-CD1 3.86Å; L66-L90 HydrophobicContact CD2-CD1 3.97Å; L66-L90 HydrophobicContact CG-CD1 3.9Å; L66-L90 CarbonylContact O-C 3.4Å; L66-L90 WeakPolarHBondContact O-CA 3.39Å; L66-L91 PolarHBondContact O-N 3.09Å
67	S	96.5	Very high	91.5	Very high	21 Å²	21	44.5 Å²	44.5	15%	0.147	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.6	-179.1	-63	0	0	0	0	111.5	A47 C49 L91	A47-S67 PolarHBondContact O-N 2.94Å; C49-S67 PolarHBondContact N-O 2.97Å; S67-L91 CarbonylContact C-O 3.45Å; S67-L91 WeakPolarHBondContact CA-O 3.42Å
68	F	96.4	Very high	91.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119.8	175.5	-71.1	-81.1	0	0	0	110.6	C49 V52 V55 F59 L66 F73 F81 L90 L91 F92 T93 N95	C49-F68 HydrophobicContact CB-CD1 3.68Å; C49-F68 HydrophobicContact CB-CE1 3.76Å; C49-F68 WeakPolarHBondContact O-CA 3.49Å; V52-F68 HydrophobicContact CG2-CD1 3.84Å; V52-F68 HydrophobicContact CG2-CE1 3.99Å; V55-F68 HydrophobicContact CG1-CZ 4.17Å; F59-F68 HydrophobicContact CZ-CZ 4.46Å; L66-F68 HydrophobicContact CD1-CE2 4.05Å; L66-F68 HydrophobicContact CD1-CZ 4.11Å; L66-F68 HydrophobicContact CD2-CE2 3.48Å; L66-F68 VanDerWaalsContact CD2-CE2 3.48Å; L66-F68 HydrophobicContact CD2-CZ 3.8Å; L66-F68 HydrophobicContact CG-CD2 4.22Å; L66-F68 HydrophobicContact CG-CE2 3.53Å; L66-F68 HydrophobicContact CG-CZ 4.03Å; F68-F73 AromaticContact CD1-CE1 3.91Å; F68-F73 HydrophobicContact CD1-CE1 3.91Å; F68-F73 HydrophobicContact CD1-CZ 4.03Å; F68-F73 HydrophobicContact CE1-CE1 4.21Å; F68-F73 HydrophobicContact CE1-CZ 4.44Å; F68-F73 HydrophobicContact CG-CZ 4.27Å; F68-F81 AromaticContact CE2-CE1 3.7Å; F68-F81 HydrophobicContact CE2-CE1 3.7Å; F68-F81 HydrophobicContact CE2-CZ 4.26Å; F68-F81 HydrophobicContact CZ-CE1 4.16Å; F68-L90 HydrophobicContact CD2-CD1 4.29Å; F68-L90 HydrophobicContact CE2-CD1 4.15Å; F68-L91 PolarHBondContact N-O 2.77Å; F68-F92 HydrophobicContact CB-CD1 3.68Å; F68-F92 HydrophobicContact CB-CE1 4.02Å; F68-F92 AromaticContact CD2-CD1 3.91Å; F68-F92 HydrophobicContact CD2-CD1 3.91Å; F68-F92 AromaticContact CD2-CE1 3.4Å; F68-F92 HydrophobicContact CD2-CE1 3.4Å; F68-F92 VanDerWaalsContact CD2-CE1 3.4Å; F68-F92 HydrophobicContact CD2-CZ 4.02Å; F68-F92 HydrophobicContact CE2-CE1 4.1Å; F68-F92 HydrophobicContact CE2-CZ 4.45Å; F68-F92 HydrophobicContact CG-CD1 4.11Å; F68-F92 AromaticContact CG-CE1 3.92Å; F68-F92 HydrophobicContact CG-CE1 3.92Å; F68-T93 PolarHBondContact O-N 2.83Å; F68-N95 PolarHBondContact O-ND2 3.06Å
69	V	95.7	Very high	92.1	Very high	28 Å²	28	38.3 Å²	38.3	17%	0.17	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	129	-177.4	-172.9	0	0	0	0	110.1	L48 C49 E50 N51 S71 T93	L48-V69 HydrophobicContact CD1-CG2 3.67Å; C49-V69 PolarHBondContact O-N 2.84Å; E50-V69 WeakPolarHBondContact CA-O 3.45Å; E50-V69 HydrophobicContact CG-CB 4.26Å; N51-V69 PolarHBondContact N-O 3.38Å; V69-S71 PolarHBondContact O-N 2.72Å; V69-T93 WeakPolarHBondContact CA-O 3.23Å; V69-T93 HydrophobicContact CB-CG2 4.45Å; V69-T93 HydrophobicContact CG1-CG2 4.3Å; V69-T93 HydrophobicContact CG2-CG2 3.73Å
70	K	92.8	Very high	92.3	Very high	135 Å²	135	38.2 Å²	38.2	59%	0.587	24%	0.24	S	C	*	.	S	Bend	trans	49.4	45	178.5	-64.1	175.3	-179.8	176	0	112.9	N51 T93 A94 N95	N51-K70 WeakPolarHBondContact CA-O 3.36Å; N51-K70 PolarHBondContact N-O 2.86Å; N51-K70 PolarHBondContact OD1-O 2.91Å; N51-K70 VanDerWaalsContact OD1-O 3.13Å; K70-T93 PolarHBondContact N-O 2.9Å; K70-A94 WeakPolarHBondContact CA-O 3.48Å; K70-A94 HydrophobicContact CG-CB 4.08Å; K70-A94 PolarHBondContact N-O 2.99Å; K70-N95 PolarHBondContact N-OD1 2.85Å
71	S	93.6	Very high	92.6	Very high	15 Å²	15	37.1 Å²	37.1	11%	0.105	23%	0.233	C	C	.	.			trans	-66.9	148.7	180	-52.9	0	0	0	0	111.1	V69 F73 N95	V69-S71 PolarHBondContact O-N 2.72Å; S71-F73 WeakPolarHBondContact OG-CE1 3.34Å; S71-N95 WeakPolarHBondContact CB-OD1 3.34Å; S71-N95 PolarHBondContact N-OD1 2.89Å; S71-N95 PolarHBondContact OG-OD1 3.23Å
72	G	90.7	Very high	93.1	Very high	58 Å²	58	37.3 Å²	37.3	60%	0.598	23%	0.231	S	C	*	.	S	Bend	trans	-89.5	-7.8	176.1	0	0	0	0	0	114.2	V52	V52-G72 WeakPolarHBondContact O-CA 3.42Å; V52-G72 PolarHBondContact O-N 2.93Å
73	F	94.1	Very high	93.2	Very high	11 Å²	11	39.4 Å²	39.4	5%	0.048	24%	0.238	C	C	.	.			trans	-83.1	142.1	170.2	61.8	-93	0	0	0	110.8	V52 R53 V55 F68 S71 E75 I76 F92 F97	V52-F73 HydrophobicContact CG2-CD1 4.18Å; V52-F73 HydrophobicContact CG2-CE1 3.81Å; V52-F73 PolarHBondContact O-N 3.3Å; R53-F73 WeakPolarHBondContact O-CB 3.33Å; V55-F73 HydrophobicContact CG2-CE1 4.26Å; V55-F73 HydrophobicContact CG2-CE2 4.12Å; V55-F73 HydrophobicContact CG2-CZ 3.97Å; F68-F73 AromaticContact CD1-CE1 3.91Å; F68-F73 HydrophobicContact CD1-CE1 3.91Å; F68-F73 HydrophobicContact CD1-CZ 4.03Å; F68-F73 HydrophobicContact CE1-CE1 4.21Å; F68-F73 HydrophobicContact CE1-CZ 4.44Å; F68-F73 HydrophobicContact CG-CZ 4.27Å; S71-F73 WeakPolarHBondContact OG-CE1 3.34Å; F73-E75 WeakPolarHBondContact CD2-O 3.38Å; F73-I76 HydrophobicContact CE2-CG1 3.92Å; F73-F92 HydrophobicContact CZ-CE1 4.37Å; F73-F97 HydrophobicContact CD2-CD1 4.25Å; F73-F97 AromaticContact CD2-CE1 3.66Å; F73-F97 HydrophobicContact CD2-CE1 3.66Å; F73-F97 HydrophobicContact CE2-CD1 4.22Å; F73-F97 AromaticContact CE2-CE1 3.3Å; F73-F97 HydrophobicContact CE2-CE1 3.3Å; F73-F97 AromaticContact CE2-CZ 3.86Å; F73-F97 HydrophobicContact CE2-CZ 3.86Å; F73-F97 HydrophobicContact CZ-CE1 4.13Å; F73-F97 HydrophobicContact CZ-CZ 4.41Å
74	N	92.7	Very high	93.1	Very high	81 Å²	81	39.7 Å²	39.7	43%	0.433	24%	0.24	S	C	.	.			trans	-106.1	-3	179.5	60	-18.6	0	0	0	112.8	S96 F97 D98 L99	N74-S96 WeakPolarHBondContact CA-O 3.27Å; N74-F97 CarbonylContact O-C 3.5Å; N74-F97 WeakPolarHBondContact O-CA 3.49Å; N74-D98 HydrophobicContact CB-CB 4.45Å; N74-D98 PolarHBondContact ND2-OD2 2.86Å; N74-D98 PolarHBondContact O-N 3.31Å; N74-L99 PolarHBondContact O-N 3.25Å
75	E	93.3	Very high	92.9	Very high	85 Å²	85	40.5 Å²	40.5	40%	0.397	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	138.5	-178.6	-174.6	175.3	-178.1	0	0	111.4	F73 L99	F73-E75 WeakPolarHBondContact CD2-O 3.38Å; E75-L99 VanDerWaalsContact CA-O 3.31Å; E75-L99 WeakPolarHBondContact CA-O 3.49Å; E75-L99 HydrophobicContact CG-CB 4.26Å
76	I	93.8	Very high	92.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	100.1	166.6	-53.1	177	0	0	0	107.1	F73 F81 F92 F97 L99 I100 D101 A104	F73-I76 HydrophobicContact CE2-CG1 3.92Å; I76-F81 HydrophobicContact CG2-CE2 3.81Å; I76-F81 HydrophobicContact CG2-CZ 4.34Å; I76-F92 HydrophobicContact CD1-CD1 4.24Å; I76-F92 HydrophobicContact CD1-CE1 3.74Å; I76-F92 HydrophobicContact CD1-CE2 4.28Å; I76-F92 HydrophobicContact CD1-CZ 3.76Å; I76-F97 HydrophobicContact CD1-CD2 4.44Å; I76-F97 HydrophobicContact CD1-CE1 4.45Å; I76-F97 HydrophobicContact CD1-CE2 4.05Å; I76-F97 HydrophobicContact CD1-CZ 4.06Å; I76-F97 HydrophobicContact CG1-CE1 4.36Å; I76-F97 HydrophobicContact CG1-CZ 4.45Å; I76-L99 PolarHBondContact N-O 3.31Å; I76-I100 HydrophobicContact CB-CG2 4.37Å; I76-I100 HydrophobicContact CD1-CD1 4.35Å; I76-I100 HydrophobicContact CD1-CG1 4.21Å; I76-D101 WeakPolarHBondContact O-CB 3.33Å; I76-D101 PolarHBondContact O-N 3.48Å; I76-A104 HydrophobicContact CB-CB 4.41Å; I76-A104 HydrophobicContact CG2-CB 3.79Å
77	S	93.8	Very high	92.5	Very high	58 Å²	58	43.7 Å²	43.7	41%	0.406	26%	0.262	S	S	.	.			trans	-79.7	162.7	-178.3	33.7	0	0	0	0	112.4	A79 S80	S77-A79 PolarHBondContact O-N 2.86Å; S77-S80 PolarHBondContact N-OG 3.32Å; S77-S80 WeakPolarHBondContact O-CB 3.36Å; S77-S80 PolarHBondContact O-N 3.32Å; S77-S80 PolarHBondContact O-OG 3.39Å
78	G	93.2	Very high	92.5	Very high	37 Å²	37	46.8 Å²	46.8	38%	0.381	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	136.7	-179.8	0	0	0	0	0	113.7	S80 E102	G78-S80 PolarHBondContact O-N 2.96Å; G78-E102 WeakPolarHBondContact CA-O 3.49Å
79	A	90.3	Very high	92.4	Very high	34 Å²	34	49 Å²	49	28%	0.281	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	24.7	179.7	0	0	0	0	0	115.5	S77 F81 V82 D103 M106	S77-A79 PolarHBondContact O-N 2.86Å; A79-F81 PolarHBondContact O-N 2.74Å; A79-V82 HydrophobicContact CB-CB 4.35Å; A79-V82 WeakPolarHBondContact O-CB 3.5Å; A79-V82 WeakPolarHBondContact O-CG1 3.13Å; A79-V82 PolarHBondContact O-N 2.85Å; A79-D103 PolarHBondContact N-O 3.47Å; A79-M106 HydrophobicContact CB-CB 4.47Å
80	S	92.4	Very high	92.5	Very high	12 Å²	12	47.7 Å²	47.7	8%	0.084	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-26.7	178.8	-77.9	0	0	0	0	114.3	S77 G78	S77-S80 PolarHBondContact N-OG 3.32Å; S77-S80 WeakPolarHBondContact O-CB 3.36Å; S77-S80 PolarHBondContact O-N 3.32Å; S77-S80 PolarHBondContact O-OG 3.39Å; G78-S80 PolarHBondContact O-N 2.96Å
81	F	92.8	Very high	92.6	Very high	2 Å²	2	43 Å²	43	1%	0.009	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	16.5	-175.8	-54.5	-76.7	0	0	0	114.6	V55 L66 F68 I76 A79 H83 T84 L90 F92 A104 F105 L108	V55-F81 HydrophobicContact CG1-CD1 4.06Å; V55-F81 HydrophobicContact CG1-CE1 3.52Å; V55-F81 HydrophobicContact CG1-CZ 4.02Å; V55-F81 HydrophobicContact CG2-CE1 4.48Å; V55-F81 HydrophobicContact CG2-CZ 4.19Å; L66-F81 HydrophobicContact CD2-CD1 4.17Å; L66-F81 HydrophobicContact CD2-CE1 4.15Å; F68-F81 AromaticContact CE2-CE1 3.7Å; F68-F81 HydrophobicContact CE2-CE1 3.7Å; F68-F81 HydrophobicContact CE2-CZ 4.26Å; F68-F81 HydrophobicContact CZ-CE1 4.16Å; I76-F81 HydrophobicContact CG2-CE2 3.81Å; I76-F81 HydrophobicContact CG2-CZ 4.34Å; A79-F81 PolarHBondContact O-N 2.74Å; F81-H83 PolarHBondContact O-N 3.25Å; F81-H83 VanDerWaalsContact O-N 3.12Å; F81-T84 PolarHBondContact O-N 2.81Å; F81-T84 PolarHBondContact O-OG1 2.89Å; F81-T84 VanDerWaalsContact O-OG1 3.07Å; F81-L90 HydrophobicContact CD1-CD2 4.47Å; F81-L90 HydrophobicContact CD2-CD2 4.2Å; F81-L90 HydrophobicContact CE1-CD1 4.24Å; F81-L90 HydrophobicContact CE1-CD2 4.35Å; F81-L90 HydrophobicContact CE2-CD2 4.05Å; F81-L90 HydrophobicContact CG-CD2 4.43Å; F81-L90 HydrophobicContact CZ-CD2 4.17Å; F81-F92 HydrophobicContact CE1-CZ 4.39Å; F81-F92 HydrophobicContact CE2-CZ 4.08Å; F81-F92 HydrophobicContact CZ-CE1 4.2Å; F81-F92 AromaticContact CZ-CZ 3.56Å; F81-F92 HydrophobicContact CZ-CZ 3.56Å; F81-A104 WeakPolarHBondContact CD2-O 3.45Å; F81-F105 AromaticContact CD2-CD1 3.93Å; F81-F105 HydrophobicContact CD2-CD1 3.93Å; F81-F105 HydrophobicContact CD2-CE1 4.41Å; F81-F105 AromaticContact CE2-CD1 3.91Å; F81-F105 HydrophobicContact CE2-CD1 3.91Å; F81-F105 AromaticContact CE2-CE1 3.92Å; F81-F105 HydrophobicContact CE2-CE1 3.92Å; F81-L108 HydrophobicContact CB-CD1 3.81Å; F81-L108 HydrophobicContact CB-CD2 3.69Å; F81-L108 HydrophobicContact CB-CG 3.9Å; F81-L108 HydrophobicContact CD2-CD1 4.27Å; F81-L108 HydrophobicContact CG-CD1 4.15Å
82	V	90.1	Very high	92.6	Very high	73 Å²	73	42.3 Å²	42.3	44%	0.442	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.7	-178.7	70.3	0	0	0	0	113.5	A79 T84	A79-V82 HydrophobicContact CB-CB 4.35Å; A79-V82 WeakPolarHBondContact O-CB 3.5Å; A79-V82 WeakPolarHBondContact O-CG1 3.13Å; A79-V82 PolarHBondContact O-N 2.85Å; V82-T84 VanDerWaalsContact C-N 3.29Å; V82-T84 PolarHBondContact O-N 2.77Å
83	H	88	Confident	92.8	Very high	117 Å²	117	41 Å²	41	54%	0.542	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-4.9	179.5	-58.6	-58.4	0	0	0	113.9	H57 F81 P85	H57-H83 AromaticContact CG-CD2 3.9Å; H57-H83 AromaticContact ND1-CD2 3.62Å; H57-H83 WeakPolarHBondContact O-CB 3.45Å; F81-H83 PolarHBondContact O-N 3.25Å; F81-H83 VanDerWaalsContact O-N 3.12Å; H83-P85 WeakPolarHBondContact O-CD 3.2Å
84	T	89.3	Confident	92.6	Very high	11 Å²	11	42.8 Å²	42.8	7%	0.067	25%	0.251	C	S	.	.			trans	-125.4	61.6	178.2	52.3	0	0	0	0	110.9	F59 F81 V82 N86 L87 L108	F59-T84 HydrophobicContact CB-CG2 3.97Å; F59-T84 HydrophobicContact CD2-CG2 3.42Å; F59-T84 VanDerWaalsContact CD2-CG2 3.42Å; F59-T84 HydrophobicContact CE2-CG2 4.21Å; F59-T84 HydrophobicContact CG-CG2 4Å; F81-T84 PolarHBondContact O-N 2.81Å; F81-T84 PolarHBondContact O-OG1 2.89Å; F81-T84 VanDerWaalsContact O-OG1 3.07Å; V82-T84 VanDerWaalsContact C-N 3.29Å; V82-T84 PolarHBondContact O-N 2.77Å; T84-N86 PolarHBondContact O-N 3.13Å; T84-L87 WeakPolarHBondContact O-CG 3.44Å; T84-L87 PolarHBondContact O-N 2.78Å; T84-L87 VanDerWaalsContact OG1-CD1 3.29Å; T84-L87 WeakPolarHBondContact OG1-CD1 3.19Å; T84-L108 VanDerWaalsContact O-CD2 3.25Å; T84-L108 WeakPolarHBondContact O-CD2 3.43Å
85	P	89.5	Confident	92.6	Very high	58 Å²	58	39.3 Å²	39.3	38%	0.377	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-12.2	-171.3	30.3	-37.9	0	0	0	114.6	H83 H110	H83-P85 WeakPolarHBondContact O-CD 3.2Å; P85-H110 PolarHBondContact O-ND1 3.22Å
86	N	90.6	Very high	92.5	Very high	82 Å²	82	38.1 Å²	38.1	44%	0.439	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	4.1	-178.7	-62.9	-30.5	0	0	0	113.3	T84 Q88	T84-N86 PolarHBondContact O-N 3.13Å; N86-Q88 PolarHBondContact O-N 3.29Å
87	L	94	Very high	92.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.234	C	C	.	.			trans	-61.3	131.3	179.2	-72.3	176.1	0	0	0	111.1	V63 L66 T84 L90 L108 H110 L111	V63-L87 HydrophobicContact CG1-CD2 4.21Å; L66-L87 HydrophobicContact CB-CD1 4.18Å; L66-L87 HydrophobicContact CB-CD2 3.75Å; L66-L87 HydrophobicContact CD2-CD1 4.03Å; T84-L87 WeakPolarHBondContact O-CG 3.44Å; T84-L87 PolarHBondContact O-N 2.78Å; T84-L87 VanDerWaalsContact OG1-CD1 3.29Å; T84-L87 WeakPolarHBondContact OG1-CD1 3.19Å; L87-L90 HydrophobicContact CD1-CD1 4.49Å; L87-L108 HydrophobicContact CB-CD2 4.15Å; L87-L108 HydrophobicContact CD1-CD2 4.07Å; L87-L108 HydrophobicContact CG-CD2 4.48Å; L87-H110 CarbonylContact O-C 3.49Å; L87-L111 HydrophobicContact CB-CD1 4.03Å; L87-L111 VanDerWaalsContact O-CA 3.27Å; L87-L111 WeakPolarHBondContact O-CA 3.31Å; L87-L111 PolarHBondContact O-N 2.86Å; L87-L111 VanDerWaalsContact O-N 3.16Å
88	Q	94.9	Very high	92.2	Very high	86 Å²	86	39.5 Å²	39.5	40%	0.402	24%	0.237	S	C	.	.	S	Bend	trans	-105.8	-31.7	172.1	-66	176.9	-8.7	0	0	111	V64 N86 E112 Y113	V64-Q88 HydrophobicContact CB-CB 4.49Å; V64-Q88 HydrophobicContact CB-CG 4.37Å; V64-Q88 PolarHBondContact O-N 3.29Å; N86-Q88 PolarHBondContact O-N 3.29Å; Q88-E112 PolarHBondContact O-N 2.86Å; Q88-Y113 PolarHBondContact O-N 3.01Å
89	L	95.9	Very high	92	Very high	46 Å²	46	40.1 Å²	40.1	24%	0.241	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	132.2	179.1	-173.3	155.1	0	0	0	111.6	V64 S65 L66 L91 Y113 F115	V64-L89 PolarHBondContact O-N 2.87Å; S65-L89 WeakPolarHBondContact CA-O 3.17Å; L66-L89 PolarHBondContact N-O 2.98Å; L89-L91 HydrophobicContact CD2-CB 4.21Å; L89-Y113 CarbonylContact C-O 3.52Å; L89-Y113 WeakPolarHBondContact CA-O 3.42Å; L89-F115 HydrophobicContact CD1-CD2 4.43Å; L89-F115 HydrophobicContact CD1-CE2 3.87Å; L89-F115 HydrophobicContact CD2-CD2 4.44Å; L89-F115 HydrophobicContact CG-CD2 4.29Å; L89-F115 HydrophobicContact CG-CE2 4.13Å
90	L	95.9	Very high	92	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	123.8	173.1	-173.7	61.3	0	0	0	110.4	L66 F68 F81 L87 F92 F105 L108 L111 Y113 L114 F115	L66-L90 HydrophobicContact CB-CD1 3.86Å; L66-L90 HydrophobicContact CD2-CD1 3.97Å; L66-L90 HydrophobicContact CG-CD1 3.9Å; L66-L90 CarbonylContact O-C 3.4Å; L66-L90 WeakPolarHBondContact O-CA 3.39Å; F68-L90 HydrophobicContact CD2-CD1 4.29Å; F68-L90 HydrophobicContact CE2-CD1 4.15Å; F81-L90 HydrophobicContact CD1-CD2 4.47Å; F81-L90 HydrophobicContact CD2-CD2 4.2Å; F81-L90 HydrophobicContact CE1-CD1 4.24Å; F81-L90 HydrophobicContact CE1-CD2 4.35Å; F81-L90 HydrophobicContact CE2-CD2 4.05Å; F81-L90 HydrophobicContact CG-CD2 4.43Å; F81-L90 HydrophobicContact CZ-CD2 4.17Å; L87-L90 HydrophobicContact CD1-CD1 4.49Å; L90-F92 HydrophobicContact CD1-CE2 4.12Å; L90-F92 HydrophobicContact CD1-CZ 4.07Å; L90-F92 HydrophobicContact CD2-CE2 3.58Å; L90-F92 HydrophobicContact CD2-CZ 3.86Å; L90-F92 HydrophobicContact CG-CD2 4.33Å; L90-F92 HydrophobicContact CG-CE2 3.52Å; L90-F92 HydrophobicContact CG-CZ 3.95Å; L90-F105 HydrophobicContact CD2-CD1 3.78Å; L90-F105 HydrophobicContact CD2-CE1 3.76Å; L90-L108 HydrophobicContact CD2-CD1 4.12Å; L90-L111 HydrophobicContact CB-CD1 3.87Å; L90-L111 HydrophobicContact CB-CD2 4.48Å; L90-Y113 PolarHBondContact N-O 3.12Å; L90-L114 HydrophobicContact CB-CD1 3.97Å; L90-L114 HydrophobicContact CD2-CD1 4.07Å; L90-L114 HydrophobicContact CG-CD1 4.12Å; L90-L114 WeakPolarHBondContact O-CA 3.43Å; L90-F115 PolarHBondContact O-N 3.03Å
91	L	95.6	Very high	91.9	Very high	38 Å²	38	40.2 Å²	40.2	20%	0.199	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.8	-178.8	171.1	65.2	0	0	0	111	L66 S67 F68 L89 T93 F115	L66-L91 PolarHBondContact O-N 3.09Å; S67-L91 CarbonylContact C-O 3.45Å; S67-L91 WeakPolarHBondContact CA-O 3.42Å; F68-L91 PolarHBondContact N-O 2.77Å; L89-L91 HydrophobicContact CD2-CB 4.21Å; L91-T93 HydrophobicContact CD2-CG2 4.42Å; L91-T93 HydrophobicContact CG-CG2 4.4Å; L91-F115 CarbonylContact C-O 3.58Å; L91-F115 WeakPolarHBondContact CA-O 3.42Å; L91-F115 HydrophobicContact CB-CB 4.37Å; L91-F115 HydrophobicContact CD1-CB 3.42Å; L91-F115 VanDerWaalsContact CD1-CB 3.42Å; L91-F115 HydrophobicContact CD1-CG 4.38Å; L91-F115 HydrophobicContact CG-CB 4.48Å
92	F	94.5	Very high	91.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121	165.9	-60.1	-87	0	0	0	108.7	F68 F73 I76 F81 L90 F97 F105 L114 F115 I116 E117 N119	F68-F92 HydrophobicContact CB-CD1 3.68Å; F68-F92 HydrophobicContact CB-CE1 4.02Å; F68-F92 AromaticContact CD2-CD1 3.91Å; F68-F92 HydrophobicContact CD2-CD1 3.91Å; F68-F92 AromaticContact CD2-CE1 3.4Å; F68-F92 HydrophobicContact CD2-CE1 3.4Å; F68-F92 VanDerWaalsContact CD2-CE1 3.4Å; F68-F92 HydrophobicContact CD2-CZ 4.02Å; F68-F92 HydrophobicContact CE2-CE1 4.1Å; F68-F92 HydrophobicContact CE2-CZ 4.45Å; F68-F92 HydrophobicContact CG-CD1 4.11Å; F68-F92 AromaticContact CG-CE1 3.92Å; F68-F92 HydrophobicContact CG-CE1 3.92Å; F73-F92 HydrophobicContact CZ-CE1 4.37Å; I76-F92 HydrophobicContact CD1-CD1 4.24Å; I76-F92 HydrophobicContact CD1-CE1 3.74Å; I76-F92 HydrophobicContact CD1-CE2 4.28Å; I76-F92 HydrophobicContact CD1-CZ 3.76Å; F81-F92 HydrophobicContact CE1-CZ 4.39Å; F81-F92 HydrophobicContact CE2-CZ 4.08Å; F81-F92 HydrophobicContact CZ-CE1 4.2Å; F81-F92 AromaticContact CZ-CZ 3.56Å; F81-F92 HydrophobicContact CZ-CZ 3.56Å; L90-F92 HydrophobicContact CD1-CE2 4.12Å; L90-F92 HydrophobicContact CD1-CZ 4.07Å; L90-F92 HydrophobicContact CD2-CE2 3.58Å; L90-F92 HydrophobicContact CD2-CZ 3.86Å; L90-F92 HydrophobicContact CG-CD2 4.33Å; L90-F92 HydrophobicContact CG-CE2 3.52Å; L90-F92 HydrophobicContact CG-CZ 3.95Å; F92-F97 HydrophobicContact CB-CE2 4.18Å; F92-F97 HydrophobicContact CB-CZ 4.48Å; F92-F97 HydrophobicContact CD1-CE2 4.1Å; F92-F97 AromaticContact CD1-CZ 3.75Å; F92-F97 HydrophobicContact CD1-CZ 3.75Å; F92-F97 HydrophobicContact CE1-CZ 4.4Å; F92-F97 HydrophobicContact CG-CE2 4.27Å; F92-F97 HydrophobicContact CG-CZ 4.37Å; F92-F105 AromaticContact CE2-CE1 3.8Å; F92-F105 HydrophobicContact CE2-CE1 3.8Å; F92-F105 HydrophobicContact CE2-CZ 4.28Å; F92-F105 HydrophobicContact CZ-CE1 4.21Å; F92-L114 HydrophobicContact CE2-CD1 4.34Å; F92-F115 PolarHBondContact N-O 2.78Å; F92-I116 HydrophobicContact CD2-CG1 4.14Å; F92-E117 PolarHBondContact O-N 3.12Å; F92-N119 PolarHBondContact O-ND2 2.88Å
93	T	93.3	Very high	91.7	Very high	31 Å²	31	42.6 Å²	42.6	19%	0.19	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	144.1	175.2	-174	0	0	0	0	113.5	F68 V69 K70 L91 N95 E117	F68-T93 PolarHBondContact O-N 2.83Å; V69-T93 WeakPolarHBondContact CA-O 3.23Å; V69-T93 HydrophobicContact CB-CG2 4.45Å; V69-T93 HydrophobicContact CG1-CG2 4.3Å; V69-T93 HydrophobicContact CG2-CG2 3.73Å; K70-T93 PolarHBondContact N-O 2.9Å; L91-T93 HydrophobicContact CD2-CG2 4.42Å; L91-T93 HydrophobicContact CG-CG2 4.4Å; T93-N95 PolarHBondContact N-ND2 2.85Å; T93-N95 PolarHBondContact O-N 2.81Å; T93-N95 PolarHBondContact O-ND2 2.82Å; T93-N95 VanDerWaalsContact O-ND2 3.09Å; T93-E117 VanDerWaalsContact CA-O 3.23Å; T93-E117 WeakPolarHBondContact CA-O 3.47Å; T93-E117 PolarHBondContact OG1-O 3.28Å
94	A	91.8	Very high	91.8	Very high	47 Å²	47	37 Å²	37	39%	0.388	21%	0.207	S	C	.	.	S	Bend	trans	55.4	34.6	-178.8	0	0	0	0	0	114.2	K70 N118 N119	K70-A94 WeakPolarHBondContact CA-O 3.48Å; K70-A94 HydrophobicContact CG-CB 4.08Å; K70-A94 PolarHBondContact N-O 2.99Å; A94-N118 VanDerWaalsContact CA-O 3.24Å; A94-N118 WeakPolarHBondContact CA-O 3.23Å; A94-N118 PolarHBondContact N-O 2.83Å; A94-N118 VanDerWaalsContact N-O 3.13Å; A94-N119 PolarHBondContact N-OD1 3.04Å
95	N	92.3	Very high	91.9	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.043	20%	0.204	C	C	.	.			trans	-102.5	165.5	174.2	-51.3	-77.9	0	0	0	111.6	F68 K70 S71 T93 F97 N119 R120	F68-N95 PolarHBondContact O-ND2 3.06Å; K70-N95 PolarHBondContact N-OD1 2.85Å; S71-N95 WeakPolarHBondContact CB-OD1 3.34Å; S71-N95 PolarHBondContact N-OD1 2.89Å; S71-N95 PolarHBondContact OG-OD1 3.23Å; T93-N95 PolarHBondContact N-ND2 2.85Å; T93-N95 PolarHBondContact O-N 2.81Å; T93-N95 PolarHBondContact O-ND2 2.82Å; T93-N95 VanDerWaalsContact O-ND2 3.09Å; N95-F97 HydrophobicContact CB-CD1 4.47Å; N95-F97 HydrophobicContact CB-CD2 4.48Å; N95-F97 HydrophobicContact CB-CE1 3.76Å; N95-F97 HydrophobicContact CB-CE2 3.79Å; N95-F97 HydrophobicContact CB-CZ 3.38Å; N95-N119 WeakPolarHBondContact CA-OD1 3.14Å; N95-N119 WeakPolarHBondContact CB-OD1 3.29Å; N95-N119 PolarHBondContact N-OD1 2.86Å; N95-N119 PolarHBondContact ND2-OD1 2.9Å; N95-N119 CarbonylContact O-C 3.45Å; N95-N119 VanDerWaalsContact O-CA 3.23Å; N95-N119 WeakPolarHBondContact O-CA 3.48Å; N95-N119 WeakPolarHBondContact O-CB 3.45Å; N95-R120 PolarHBondContact O-N 2.83Å
96	S	91.5	Very high	91.9	Very high	60 Å²	60	37.4 Å²	37.4	42%	0.42	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	108.7	173.3	-172.2	0	0	0	0	109.3	N74 R120	N74-S96 WeakPolarHBondContact CA-O 3.27Å; S96-R120 CarbonylContact C-O 3.6Å; S96-R120 WeakPolarHBondContact CA-O 3.3Å
97	F	90.9	Very high	91.7	Very high	1 Å²	1	35.4 Å²	35.4	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	132	179.4	-56.2	-47.5	0	0	0	111.2	F73 N74 I76 F92 N95 I100 R120 I121 A122	F73-F97 HydrophobicContact CD2-CD1 4.25Å; F73-F97 AromaticContact CD2-CE1 3.66Å; F73-F97 HydrophobicContact CD2-CE1 3.66Å; F73-F97 HydrophobicContact CE2-CD1 4.22Å; F73-F97 AromaticContact CE2-CE1 3.3Å; F73-F97 HydrophobicContact CE2-CE1 3.3Å; F73-F97 AromaticContact CE2-CZ 3.86Å; F73-F97 HydrophobicContact CE2-CZ 3.86Å; F73-F97 HydrophobicContact CZ-CE1 4.13Å; F73-F97 HydrophobicContact CZ-CZ 4.41Å; N74-F97 CarbonylContact O-C 3.5Å; N74-F97 WeakPolarHBondContact O-CA 3.49Å; I76-F97 HydrophobicContact CD1-CD2 4.44Å; I76-F97 HydrophobicContact CD1-CE1 4.45Å; I76-F97 HydrophobicContact CD1-CE2 4.05Å; I76-F97 HydrophobicContact CD1-CZ 4.06Å; I76-F97 HydrophobicContact CG1-CE1 4.36Å; I76-F97 HydrophobicContact CG1-CZ 4.45Å; F92-F97 HydrophobicContact CB-CE2 4.18Å; F92-F97 HydrophobicContact CB-CZ 4.48Å; F92-F97 HydrophobicContact CD1-CE2 4.1Å; F92-F97 AromaticContact CD1-CZ 3.75Å; F92-F97 HydrophobicContact CD1-CZ 3.75Å; F92-F97 HydrophobicContact CE1-CZ 4.4Å; F92-F97 HydrophobicContact CG-CE2 4.27Å; F92-F97 HydrophobicContact CG-CZ 4.37Å; N95-F97 HydrophobicContact CB-CD1 4.47Å; N95-F97 HydrophobicContact CB-CD2 4.48Å; N95-F97 HydrophobicContact CB-CE1 3.76Å; N95-F97 HydrophobicContact CB-CE2 3.79Å; N95-F97 HydrophobicContact CB-CZ 3.38Å; F97-I100 HydrophobicContact CD2-CD1 4.38Å; F97-I100 HydrophobicContact CD2-CG1 4.48Å; F97-R120 PolarHBondContact N-O 3.12Å; F97-I121 HydrophobicContact CD2-CG1 4.25Å; F97-I121 CarbonylContact O-C 3.51Å; F97-I121 VanDerWaalsContact O-CA 3.24Å; F97-I121 WeakPolarHBondContact O-CA 3.42Å; F97-A122 PolarHBondContact O-N 2.73Å
98	D	89.7	Confident	91.6	Very high	87 Å²	87	35.5 Å²	35.5	47%	0.465	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-42.3	167.2	-64.1	-27.4	0	0	0	109.8	N74 A122 S123	N74-D98 HydrophobicContact CB-CB 4.45Å; N74-D98 PolarHBondContact ND2-OD2 2.86Å; N74-D98 PolarHBondContact O-N 3.31Å; D98-A122 WeakPolarHBondContact O-CB 3.3Å; D98-S123 PolarHBondContact O-N 3.12Å
99	L	88.3	Confident	91.2	Very high	49 Å²	49	34.2 Å²	34.2	26%	0.257	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	133.7	-177.3	-178.4	63.2	0	0	0	112.5	N74 E75 I76 D101 S123	N74-L99 PolarHBondContact O-N 3.25Å; E75-L99 VanDerWaalsContact CA-O 3.31Å; E75-L99 WeakPolarHBondContact CA-O 3.49Å; E75-L99 HydrophobicContact CG-CB 4.26Å; I76-L99 PolarHBondContact N-O 3.31Å; L99-D101 HydrophobicContact CD2-CB 4.22Å; L99-D101 HydrophobicContact CG-CB 4.29Å; L99-S123 WeakPolarHBondContact CA-O 3.46Å
100	I	90.7	Very high	90.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	107.4	157.1	-56.4	-178.8	0	0	0	106.2	I76 F97 A104 F105 I116 I121 S123 I124 S125 A128	I76-I100 HydrophobicContact CB-CG2 4.37Å; I76-I100 HydrophobicContact CD1-CD1 4.35Å; I76-I100 HydrophobicContact CD1-CG1 4.21Å; F97-I100 HydrophobicContact CD2-CD1 4.38Å; F97-I100 HydrophobicContact CD2-CG1 4.48Å; I100-A104 HydrophobicContact CG2-CB 3.63Å; I100-F105 HydrophobicContact CG2-CE2 4.05Å; I100-F105 HydrophobicContact CG2-CZ 4.26Å; I100-I116 HydrophobicContact CD1-CD1 4.37Å; I100-I121 HydrophobicContact CD1-CD1 4.18Å; I100-I121 HydrophobicContact CD1-CG2 4.45Å; I100-I121 HydrophobicContact CG1-CG2 4.49Å; I100-S123 PolarHBondContact N-O 3.17Å; I100-I124 HydrophobicContact CB-CG1 4.33Å; I100-I124 HydrophobicContact CB-CG2 4.27Å; I100-I124 HydrophobicContact CD1-CD1 4.36Å; I100-I124 HydrophobicContact CD1-CG1 4.23Å; I100-I124 HydrophobicContact CG1-CG1 4.45Å; I100-S125 PolarHBondContact O-N 2.99Å; I100-A128 HydrophobicContact CG2-CB 3.92Å
101	D	90.6	Very high	90.8	Very high	49 Å²	49	36.9 Å²	36.9	26%	0.262	22%	0.219	S	C	.	.			trans	-77.5	173	-166.9	-161.1	11.9	0	0	0	112.5	I76 L99 D103 A104 S125 A128	I76-D101 WeakPolarHBondContact O-CB 3.33Å; I76-D101 PolarHBondContact O-N 3.48Å; L99-D101 HydrophobicContact CD2-CB 4.22Å; L99-D101 HydrophobicContact CG-CB 4.29Å; D101-D103 PolarHBondContact O-N 3.36Å; D101-A104 WeakPolarHBondContact O-CB 3.1Å; D101-A104 PolarHBondContact O-N 3.26Å; D101-S125 VanDerWaalsContact C-CB 3.49Å; D101-A128 VanDerWaalsContact O-CA 3.29Å; D101-A128 WeakPolarHBondContact O-CA 3.43Å; D101-A128 VanDerWaalsContact O-CB 3.31Å; D101-A128 WeakPolarHBondContact O-CB 3.36Å
102	E	88.3	Confident	90.6	Very high	104 Å²	104	38.2 Å²	38.2	49%	0.486	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	138.9	171.8	63.3	179.4	-171.6	0	0	111.1	G78 A104 S125 F127	G78-E102 WeakPolarHBondContact CA-O 3.49Å; E102-A104 PolarHBondContact O-N 2.68Å; E102-S125 WeakPolarHBondContact CA-OG 3.32Å; E102-S125 VanDerWaalsContact N-CB 3.3Å; E102-S125 PolarHBondContact N-OG 3.1Å; E102-F127 HydrophobicContact CB-CB 4.33Å
103	D	89.6	Confident	90.5	Very high	20 Å²	20	42.3 Å²	42.3	11%	0.107	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	20.5	178.1	-59.5	-43.2	0	0	0	115.8	A79 D101 F105 M106 F127 R130	A79-D103 PolarHBondContact N-O 3.47Å; D101-D103 PolarHBondContact O-N 3.36Å; D103-F105 PolarHBondContact O-N 2.9Å; D103-M106 HydrophobicContact CB-CB 3.89Å; D103-M106 HydrophobicContact CB-CE 3.68Å; D103-M106 HydrophobicContact CB-SD 4.31Å; D103-M106 WeakPolarHBondContact O-CB 3.48Å; D103-M106 PolarHBondContact O-N 3.06Å; D103-M106 WeakPolarHBondContact OD1-CE 3.38Å; D103-M106 WeakPolarHBondContact OD2-CE 3.42Å; D103-F127 PolarHBondContact N-O 3.22Å; D103-R130 IonicContact OD1-CZ 3.16Å; D103-R130 IonicContact OD1-NE 2.7Å; D103-R130 PolarHBondContact OD1-NE 2.85Å; D103-R130 IonicContact OD1-NH2 2.98Å; D103-R130 PolarHBondContact OD1-NH2 2.83Å; D103-R130 IonicContact OD2-CZ 3.59Å; D103-R130 IonicContact OD2-NE 3.44Å; D103-R130 IonicContact OD2-NH2 2.81Å; D103-R130 PolarHBondContact OD2-NH2 2.98Å
104	A	91.6	Very high	90.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.7	-38.4	179.9	0	0	0	0	0	113.6	I76 F81 I100 D101 E102 A128	I76-A104 HydrophobicContact CB-CB 4.41Å; I76-A104 HydrophobicContact CG2-CB 3.79Å; F81-A104 WeakPolarHBondContact CD2-O 3.45Å; I100-A104 HydrophobicContact CG2-CB 3.63Å; D101-A104 WeakPolarHBondContact O-CB 3.1Å; D101-A104 PolarHBondContact O-N 3.26Å; E102-A104 PolarHBondContact O-N 2.68Å; A104-A128 PolarHBondContact N-O 2.91Å
105	F	91.6	Very high	90.5	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	16.4	-178.6	-51.9	-68.5	0	0	0	114.2	F81 L90 F92 I100 D103 L108 L114 I116 A128 F129 L132	F81-F105 AromaticContact CD2-CD1 3.93Å; F81-F105 HydrophobicContact CD2-CD1 3.93Å; F81-F105 HydrophobicContact CD2-CE1 4.41Å; F81-F105 AromaticContact CE2-CD1 3.91Å; F81-F105 HydrophobicContact CE2-CD1 3.91Å; F81-F105 AromaticContact CE2-CE1 3.92Å; F81-F105 HydrophobicContact CE2-CE1 3.92Å; L90-F105 HydrophobicContact CD2-CD1 3.78Å; L90-F105 HydrophobicContact CD2-CE1 3.76Å; F92-F105 AromaticContact CE2-CE1 3.8Å; F92-F105 HydrophobicContact CE2-CE1 3.8Å; F92-F105 HydrophobicContact CE2-CZ 4.28Å; F92-F105 HydrophobicContact CZ-CE1 4.21Å; I100-F105 HydrophobicContact CG2-CE2 4.05Å; I100-F105 HydrophobicContact CG2-CZ 4.26Å; D103-F105 PolarHBondContact O-N 2.9Å; F105-L108 HydrophobicContact CB-CD1 4.21Å; F105-L108 HydrophobicContact CD1-CD1 4.37Å; F105-L108 WeakPolarHBondContact O-CB 3.49Å; F105-L108 WeakPolarHBondContact O-CG 3.21Å; F105-L108 PolarHBondContact O-N 3.17Å; F105-L114 HydrophobicContact CD2-CD2 4.29Å; F105-L114 HydrophobicContact CE1-CD1 4.21Å; F105-L114 HydrophobicContact CE2-CD2 4.16Å; F105-L114 HydrophobicContact CZ-CD1 4.39Å; F105-L114 HydrophobicContact CZ-CD2 4.33Å; F105-I116 HydrophobicContact CZ-CD1 4.19Å; F105-A128 WeakPolarHBondContact CD2-O 3.33Å; F105-F129 AromaticContact CD2-CD1 3.74Å; F105-F129 HydrophobicContact CD2-CD1 3.74Å; F105-F129 HydrophobicContact CD2-CE1 4.06Å; F105-F129 HydrophobicContact CD2-CG 4.47Å; F105-F129 AromaticContact CE2-CD1 3.72Å; F105-F129 HydrophobicContact CE2-CD1 3.72Å; F105-F129 AromaticContact CE2-CE1 3.54Å; F105-F129 HydrophobicContact CE2-CE1 3.54Å; F105-F129 HydrophobicContact CE2-CZ 4.33Å; F105-F129 HydrophobicContact CZ-CE1 4.45Å; F105-L132 HydrophobicContact CB-CD1 4.09Å; F105-L132 HydrophobicContact CB-CD2 3.92Å; F105-L132 HydrophobicContact CB-CG 4.21Å; F105-L132 HydrophobicContact CD2-CD1 4.36Å; F105-L132 HydrophobicContact CG-CD1 4.41Å
106	M	89.4	Confident	90.4	Very high	76 Å²	76	40.1 Å²	40.1	37%	0.374	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	141.4	178	-178.4	178.4	-75.9	0	0	111.5	A79 D103	A79-M106 HydrophobicContact CB-CB 4.47Å; D103-M106 HydrophobicContact CB-CB 3.89Å; D103-M106 HydrophobicContact CB-CE 3.68Å; D103-M106 HydrophobicContact CB-SD 4.31Å; D103-M106 WeakPolarHBondContact O-CB 3.48Å; D103-M106 PolarHBondContact O-N 3.06Å; D103-M106 WeakPolarHBondContact OD1-CE 3.38Å; D103-M106 WeakPolarHBondContact OD2-CE 3.42Å
107	G	86.2	Confident	90.2	Very high	40 Å²	40	40 Å²	40	41%	0.412	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.1	-11	-177.7	0	0	0	0	0	114.2	A109	G107-A109 VanDerWaalsContact C-N 3.31Å; G107-A109 PolarHBondContact O-N 2.61Å
108	L	90.7	Very high	90.1	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	23%	0.232	C	C	.	.			trans	-85.7	65.2	179	-60.3	-173.3	0	0	0	112.5	F81 T84 L87 L90 F105 H110 L111 L132	F81-L108 HydrophobicContact CB-CD1 3.81Å; F81-L108 HydrophobicContact CB-CD2 3.69Å; F81-L108 HydrophobicContact CB-CG 3.9Å; F81-L108 HydrophobicContact CD2-CD1 4.27Å; F81-L108 HydrophobicContact CG-CD1 4.15Å; T84-L108 VanDerWaalsContact O-CD2 3.25Å; T84-L108 WeakPolarHBondContact O-CD2 3.43Å; L87-L108 HydrophobicContact CB-CD2 4.15Å; L87-L108 HydrophobicContact CD1-CD2 4.07Å; L87-L108 HydrophobicContact CG-CD2 4.48Å; L90-L108 HydrophobicContact CD2-CD1 4.12Å; F105-L108 HydrophobicContact CB-CD1 4.21Å; F105-L108 HydrophobicContact CD1-CD1 4.37Å; F105-L108 WeakPolarHBondContact O-CB 3.49Å; F105-L108 WeakPolarHBondContact O-CG 3.21Å; F105-L108 PolarHBondContact O-N 3.17Å; L108-H110 PolarHBondContact O-N 3.17Å; L108-L111 HydrophobicContact CB-CB 4Å; L108-L111 HydrophobicContact CB-CD2 4.48Å; L108-L111 HydrophobicContact CD1-CD1 4.4Å; L108-L111 HydrophobicContact CD1-CD2 3.99Å; L108-L111 PolarHBondContact O-N 3.45Å; L108-L132 HydrophobicContact CB-CD2 4.1Å
109	A	86.4	Confident	89.9	Confident	60 Å²	60	39.9 Å²	39.9	50%	0.496	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-18.1	-175.4	0	0	0	0	0	114.5	G107 T134	G107-A109 VanDerWaalsContact C-N 3.31Å; G107-A109 PolarHBondContact O-N 2.61Å; A109-T134 VanDerWaalsContact O-CG2 3.27Å; A109-T134 WeakPolarHBondContact O-CG2 3.2Å; A109-T134 PolarHBondContact O-OG1 3.04Å
110	H	90.9	Very high	89.8	Confident	102 Å²	102	46.4 Å²	46.4	47%	0.472	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	7.7	-177	-56.2	101.3	0	0	0	113.6	P85 L87 L108 E112	P85-H110 PolarHBondContact O-ND1 3.22Å; L87-H110 CarbonylContact O-C 3.49Å; L108-H110 PolarHBondContact O-N 3.17Å; H110-E112 PolarHBondContact O-N 3.31Å
111	L	92.6	Very high	89.5	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.232	C	C	.	.			trans	-73.4	118.7	-175.1	-165.2	76.3	0	0	0	111	L87 L90 L108 L114 L132 T134 L135	L87-L111 HydrophobicContact CB-CD1 4.03Å; L87-L111 VanDerWaalsContact O-CA 3.27Å; L87-L111 WeakPolarHBondContact O-CA 3.31Å; L87-L111 PolarHBondContact O-N 2.86Å; L87-L111 VanDerWaalsContact O-N 3.16Å; L90-L111 HydrophobicContact CB-CD1 3.87Å; L90-L111 HydrophobicContact CB-CD2 4.48Å; L108-L111 HydrophobicContact CB-CB 4Å; L108-L111 HydrophobicContact CB-CD2 4.48Å; L108-L111 HydrophobicContact CD1-CD1 4.4Å; L108-L111 HydrophobicContact CD1-CD2 3.99Å; L108-L111 PolarHBondContact O-N 3.45Å; L111-L114 HydrophobicContact CD2-CB 4.16Å; L111-L114 HydrophobicContact CD2-CD1 4.48Å; L111-L132 HydrophobicContact CB-CD2 4.25Å; L111-L132 HydrophobicContact CD2-CD1 4.45Å; L111-L132 HydrophobicContact CD2-CD2 3.82Å; L111-T134 PolarHBondContact N-OG1 2.72Å; L111-T134 CarbonylContact O-C 3.56Å; L111-T134 VanDerWaalsContact O-C 3.23Å; L111-T134 PolarHBondContact O-OG1 3.07Å; L111-L135 HydrophobicContact CD2-CD1 4.14Å; L111-L135 HydrophobicContact CG-CD1 4.21Å; L111-L135 WeakPolarHBondContact O-CA 3.43Å; L111-L135 PolarHBondContact O-N 3.36Å
112	E	92.1	Very high	89.1	Confident	66 Å²	66	47.3 Å²	47.3	31%	0.308	25%	0.247	S	C	.	.			trans	-103.2	-32.9	-179.6	-69.1	180	179.5	0	0	111.7	Q88 H110 L136 H137	Q88-E112 PolarHBondContact O-N 2.86Å; H110-E112 PolarHBondContact O-N 3.31Å; E112-L136 HydrophobicContact CB-CD1 4.12Å; E112-L136 HydrophobicContact CB-CG 4.2Å; E112-L136 HydrophobicContact CG-CD1 4.09Å; E112-L136 HydrophobicContact CG-CG 4.3Å; E112-L136 PolarHBondContact O-N 2.75Å; E112-H137 PolarHBondContact O-N 3.01Å
113	Y	92.5	Very high	88.7	Confident	85 Å²	85	45.3 Å²	45.3	33%	0.333	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	119.5	-174.7	-55.4	-90	0	0	0	110.8	Q88 L89 L90 F115 H137	Q88-Y113 PolarHBondContact O-N 3.01Å; L89-Y113 CarbonylContact C-O 3.52Å; L89-Y113 WeakPolarHBondContact CA-O 3.42Å; L90-Y113 PolarHBondContact N-O 3.12Å; Y113-F115 HydrophobicContact CD1-CE2 4.45Å; Y113-F115 AromaticContact CD1-CZ 3.99Å; Y113-F115 HydrophobicContact CD1-CZ 3.99Å; Y113-F115 HydrophobicContact CG-CE2 4.46Å; Y113-F115 HydrophobicContact CG-CZ 4.42Å; Y113-H137 HydrophobicContact CD1-CB 3.67Å; Y113-H137 HydrophobicContact CE1-CB 4.15Å
114	L	92.5	Very high	88.4	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	113	173.8	179.7	58.8	0	0	0	109.8	L90 F92 F105 L111 I116 F129 L132 L135 H137 F138 S139	L90-L114 HydrophobicContact CB-CD1 3.97Å; L90-L114 HydrophobicContact CD2-CD1 4.07Å; L90-L114 HydrophobicContact CG-CD1 4.12Å; L90-L114 WeakPolarHBondContact O-CA 3.43Å; F92-L114 HydrophobicContact CE2-CD1 4.34Å; F105-L114 HydrophobicContact CD2-CD2 4.29Å; F105-L114 HydrophobicContact CE1-CD1 4.21Å; F105-L114 HydrophobicContact CE2-CD2 4.16Å; F105-L114 HydrophobicContact CZ-CD1 4.39Å; F105-L114 HydrophobicContact CZ-CD2 4.33Å; L111-L114 HydrophobicContact CD2-CB 4.16Å; L111-L114 HydrophobicContact CD2-CD1 4.48Å; L114-I116 HydrophobicContact CD1-CD1 4.41Å; L114-I116 HydrophobicContact CD1-CG1 4.18Å; L114-I116 HydrophobicContact CD2-CD1 4.39Å; L114-I116 HydrophobicContact CG-CD1 4.32Å; L114-I116 HydrophobicContact CG-CG1 4.24Å; L114-F129 HydrophobicContact CD2-CD1 3.76Å; L114-F129 HydrophobicContact CD2-CE1 3.68Å; L114-L132 HydrophobicContact CD2-CD1 3.88Å; L114-L135 HydrophobicContact CB-CD1 3.68Å; L114-L135 HydrophobicContact CB-CD2 4.35Å; L114-H137 PolarHBondContact N-O 2.83Å; L114-F138 HydrophobicContact CB-CD2 4.31Å; L114-F138 HydrophobicContact CD2-CD2 4.18Å; L114-F138 HydrophobicContact CD2-CE2 4.16Å; L114-F138 HydrophobicContact CG-CD2 4.23Å; L114-F138 HydrophobicContact CG-CE2 4.38Å; L114-F138 WeakPolarHBondContact O-CA 3.28Å; L114-S139 PolarHBondContact O-N 2.64Å
115	F	92.4	Very high	87.9	Confident	39 Å²	39	45.8 Å²	45.8	17%	0.171	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	116.2	-178.6	-58.2	-61.5	0	0	0	109.6	L89 L90 L91 F92 Y113 E117 H137	L89-F115 HydrophobicContact CD1-CD2 4.43Å; L89-F115 HydrophobicContact CD1-CE2 3.87Å; L89-F115 HydrophobicContact CD2-CD2 4.44Å; L89-F115 HydrophobicContact CG-CD2 4.29Å; L89-F115 HydrophobicContact CG-CE2 4.13Å; L90-F115 PolarHBondContact O-N 3.03Å; L91-F115 CarbonylContact C-O 3.58Å; L91-F115 WeakPolarHBondContact CA-O 3.42Å; L91-F115 HydrophobicContact CB-CB 4.37Å; L91-F115 HydrophobicContact CD1-CB 3.42Å; L91-F115 VanDerWaalsContact CD1-CB 3.42Å; L91-F115 HydrophobicContact CD1-CG 4.38Å; L91-F115 HydrophobicContact CG-CB 4.48Å; F92-F115 PolarHBondContact N-O 2.78Å; Y113-F115 HydrophobicContact CD1-CE2 4.45Å; Y113-F115 AromaticContact CD1-CZ 3.99Å; Y113-F115 HydrophobicContact CD1-CZ 3.99Å; Y113-F115 HydrophobicContact CG-CE2 4.46Å; Y113-F115 HydrophobicContact CG-CZ 4.42Å; F115-E117 HydrophobicContact CB-CG 4.37Å; F115-H137 AromaticContact CE1-CD2 3.6Å; F115-H137 AromaticContact CE1-CG 3.94Å; F115-H137 AromaticContact CE1-NE2 3.75Å
116	I	89.9	Confident	87.1	Confident	1 Å²	1	48 Å²	48	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	79.5	176.4	-53.5	178	0	0	0	107.8	F92 I100 F105 L114 N119 I121 F129 F138 S139 K140 T141 N143	F92-I116 HydrophobicContact CD2-CG1 4.14Å; I100-I116 HydrophobicContact CD1-CD1 4.37Å; F105-I116 HydrophobicContact CZ-CD1 4.19Å; L114-I116 HydrophobicContact CD1-CD1 4.41Å; L114-I116 HydrophobicContact CD1-CG1 4.18Å; L114-I116 HydrophobicContact CD2-CD1 4.39Å; L114-I116 HydrophobicContact CG-CD1 4.32Å; L114-I116 HydrophobicContact CG-CG1 4.24Å; I116-N119 WeakPolarHBondContact CG2-ND2 3.32Å; I116-I121 HydrophobicContact CG2-CD1 3.58Å; I116-F129 HydrophobicContact CD1-CE1 3.94Å; I116-F129 HydrophobicContact CD1-CZ 4.14Å; I116-F138 HydrophobicContact CD1-CE2 4.34Å; I116-S139 PolarHBondContact N-O 3.09Å; I116-K140 WeakPolarHBondContact O-CA 3.48Å; I116-T141 PolarHBondContact O-N 3.49Å; I116-N143 PolarHBondContact O-ND2 2.79Å
117	E	88.4	Confident	86.7	Confident	58 Å²	58	48.1 Å²	48.1	27%	0.271	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	141.5	-166.6	-58.5	-176.5	162.5	0	0	111.9	F92 T93 F115 N119 S139	F92-E117 PolarHBondContact O-N 3.12Å; T93-E117 VanDerWaalsContact CA-O 3.23Å; T93-E117 WeakPolarHBondContact CA-O 3.47Å; T93-E117 PolarHBondContact OG1-O 3.28Å; F115-E117 HydrophobicContact CB-CG 4.37Å; E117-N119 VanDerWaalsContact C-N 3.27Å; E117-N119 PolarHBondContact N-ND2 2.7Å; E117-N119 VanDerWaalsContact N-ND2 3.16Å; E117-N119 PolarHBondContact O-N 3.13Å; E117-N119 PolarHBondContact O-ND2 2.86Å; E117-S139 VanDerWaalsContact OE1-CB 3.23Å; E117-S139 WeakPolarHBondContact OE1-CB 3.45Å; E117-S139 PolarHBondContact OE1-OG 2.82Å
118	N	86.9	Confident	86.5	Confident	83 Å²	83	46.2 Å²	46.2	44%	0.444	24%	0.241	S	C	.	.	S	Bend	trans	54.1	40.2	175.9	-53.1	-53.9	0	0	0	113.6	A94 T141 Y142	A94-N118 VanDerWaalsContact CA-O 3.24Å; A94-N118 WeakPolarHBondContact CA-O 3.23Å; A94-N118 PolarHBondContact N-O 2.83Å; A94-N118 VanDerWaalsContact N-O 3.13Å; N118-T141 PolarHBondContact N-O 2.88Å; N118-Y142 WeakPolarHBondContact OD1-CB 3.13Å; N118-Y142 WeakPolarHBondContact OD1-CD2 3.19Å
119	N	86.9	Confident	86.2	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.016	24%	0.242	C	C	.	.			trans	-108.1	154.4	175.5	-57.7	-74.7	0	0	0	110.5	F92 A94 N95 I116 E117 I121 N143	F92-N119 PolarHBondContact O-ND2 2.88Å; A94-N119 PolarHBondContact N-OD1 3.04Å; N95-N119 WeakPolarHBondContact CA-OD1 3.14Å; N95-N119 WeakPolarHBondContact CB-OD1 3.29Å; N95-N119 PolarHBondContact N-OD1 2.86Å; N95-N119 PolarHBondContact ND2-OD1 2.9Å; N95-N119 CarbonylContact O-C 3.45Å; N95-N119 VanDerWaalsContact O-CA 3.23Å; N95-N119 WeakPolarHBondContact O-CA 3.48Å; N95-N119 WeakPolarHBondContact O-CB 3.45Å; I116-N119 WeakPolarHBondContact CG2-ND2 3.32Å; E117-N119 VanDerWaalsContact C-N 3.27Å; E117-N119 PolarHBondContact N-ND2 2.7Å; E117-N119 VanDerWaalsContact N-ND2 3.16Å; E117-N119 PolarHBondContact O-N 3.13Å; E117-N119 PolarHBondContact O-ND2 2.86Å; N119-I121 HydrophobicContact CB-CD1 4.25Å; N119-I121 HydrophobicContact CB-CG1 3.96Å; N119-N143 WeakPolarHBondContact CA-OD1 3.29Å; N119-N143 PolarHBondContact N-OD1 2.74Å; N119-N143 WeakPolarHBondContact O-CA 3.47Å; N119-N143 PolarHBondContact O-OD1 2.61Å
120	R	85.1	Confident	85.9	Confident	185 Å²	185	48.8 Å²	48.8	70%	0.698	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	111.1	165.9	-174.3	178.9	-176.3	-177.5	-0.1	108.1	N95 S96 F97	N95-R120 PolarHBondContact O-N 2.83Å; S96-R120 CarbonylContact C-O 3.6Å; S96-R120 WeakPolarHBondContact CA-O 3.3Å; F97-R120 PolarHBondContact N-O 3.12Å
121	I	85.6	Confident	85.3	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	119	-176.4	-53.3	174.8	0	0	0	108.9	F97 I100 I116 N119 I124 N143 T145	F97-I121 HydrophobicContact CD2-CG1 4.25Å; F97-I121 CarbonylContact O-C 3.51Å; F97-I121 VanDerWaalsContact O-CA 3.24Å; F97-I121 WeakPolarHBondContact O-CA 3.42Å; I100-I121 HydrophobicContact CD1-CD1 4.18Å; I100-I121 HydrophobicContact CD1-CG2 4.45Å; I100-I121 HydrophobicContact CG1-CG2 4.49Å; I116-I121 HydrophobicContact CG2-CD1 3.58Å; N119-I121 HydrophobicContact CB-CD1 4.25Å; N119-I121 HydrophobicContact CB-CG1 3.96Å; I121-I124 HydrophobicContact CD1-CD1 4.32Å; I121-I124 HydrophobicContact CG2-CD1 4.11Å; I121-I124 HydrophobicContact CG2-CG1 3.63Å; I121-N143 HydrophobicContact CD1-CB 4.45Å; I121-T145 VanDerWaalsContact O-CB 3.29Å; I121-T145 WeakPolarHBondContact O-CB 3.37Å; I121-T145 WeakPolarHBondContact O-CG2 3.38Å; I121-T145 PolarHBondContact O-OG1 2.95Å
122	A	82	Confident	84.8	Confident	68 Å²	68	46 Å²	46	56%	0.562	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	-46.2	178.3	0	0	0	0	0	112	F97 D98	F97-A122 PolarHBondContact O-N 2.73Å; D98-A122 WeakPolarHBondContact O-CB 3.3Å
123	S	79.2	Confident	84.3	Confident	61 Å²	61	50.3 Å²	50.3	43%	0.427	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	150.9	179.2	-170.1	0	0	0	0	113.2	D98 L99 I100	D98-S123 PolarHBondContact O-N 3.12Å; L99-S123 WeakPolarHBondContact CA-O 3.46Å; I100-S123 PolarHBondContact N-O 3.17Å
124	I	82.8	Confident	83.8	Confident	14 Å²	14	47.9 Å²	47.9	7%	0.072	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	126.6	171.1	-57.2	178.5	0	0	0	107.4	I100 I121 A128 F129 K140	I100-I124 HydrophobicContact CB-CG1 4.33Å; I100-I124 HydrophobicContact CB-CG2 4.27Å; I100-I124 HydrophobicContact CD1-CD1 4.36Å; I100-I124 HydrophobicContact CD1-CG1 4.23Å; I100-I124 HydrophobicContact CG1-CG1 4.45Å; I121-I124 HydrophobicContact CD1-CD1 4.32Å; I121-I124 HydrophobicContact CG2-CD1 4.11Å; I121-I124 HydrophobicContact CG2-CG1 3.63Å; I124-A128 HydrophobicContact CG2-CB 3.79Å; I124-F129 HydrophobicContact CG2-CE2 3.75Å; I124-F129 HydrophobicContact CG2-CZ 4.34Å; I124-K140 HydrophobicContact CD1-CD 4.49Å
125	S	82.2	Confident	83.3	Confident	17 Å²	17	48 Å²	48	12%	0.119	25%	0.248	C	C	.	.			trans	-63.5	140.6	176.2	176	0	0	0	0	111.4	I100 D101 E102 F127 A128	I100-S125 PolarHBondContact O-N 2.99Å; D101-S125 VanDerWaalsContact C-CB 3.49Å; E102-S125 WeakPolarHBondContact CA-OG 3.32Å; E102-S125 VanDerWaalsContact N-CB 3.3Å; E102-S125 PolarHBondContact N-OG 3.1Å; S125-F127 PolarHBondContact O-N 2.91Å; S125-A128 VanDerWaalsContact O-CB 3.29Å; S125-A128 WeakPolarHBondContact O-CB 3.17Å; S125-A128 PolarHBondContact O-N 2.89Å
126	P	74.5	Confident	82.8	Confident	46 Å²	46	47.7 Å²	47.7	30%	0.299	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-27.1	176.3	-27.3	35.2	0	0	0	114.4	V149 N151	P126-V149 HydrophobicContact CB-CG1 3.79Å; P126-V149 HydrophobicContact CG-CG1 3.86Å; P126-N151 HydrophobicContact CB-CB 3.89Å; P126-N151 PolarHBondContact O-N 3.23Å
127	F	80.6	Confident	82.5	Confident	79 Å²	79	49.5 Å²	49.5	35%	0.346	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	10.7	-177.4	-53.3	-63.7	0	0	0	113.8	E102 D103 S125 F129 R130	E102-F127 HydrophobicContact CB-CB 4.33Å; D103-F127 PolarHBondContact N-O 3.22Å; S125-F127 PolarHBondContact O-N 2.91Å; F127-F129 VanDerWaalsContact C-N 3.25Å; F127-F129 PolarHBondContact O-N 2.86Å; F127-R130 VanDerWaalsContact O-CB 3.24Å; F127-R130 WeakPolarHBondContact O-CB 3.1Å; F127-R130 PolarHBondContact O-N 2.88Å; F127-R130 VanDerWaalsContact O-N 3.13Å
128	A	83.1	Confident	82.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-37.3	-178.3	0	0	0	0	0	113.8	I100 D101 A104 F105 I124 S125	I100-A128 HydrophobicContact CG2-CB 3.92Å; D101-A128 VanDerWaalsContact O-CA 3.29Å; D101-A128 WeakPolarHBondContact O-CA 3.43Å; D101-A128 VanDerWaalsContact O-CB 3.31Å; D101-A128 WeakPolarHBondContact O-CB 3.36Å; A104-A128 PolarHBondContact N-O 2.91Å; F105-A128 WeakPolarHBondContact CD2-O 3.33Å; I124-A128 HydrophobicContact CG2-CB 3.79Å; S125-A128 VanDerWaalsContact O-CB 3.29Å; S125-A128 WeakPolarHBondContact O-CB 3.17Å; S125-A128 PolarHBondContact O-N 2.89Å
129	F	83.1	Confident	81.8	Confident	9 Å²	9	43 Å²	43	4%	0.039	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	14.4	-176.6	-54.7	-84.8	0	0	0	113.6	F105 L114 I116 I124 F127 G131 L132 F138 L150	F105-F129 AromaticContact CD2-CD1 3.74Å; F105-F129 HydrophobicContact CD2-CD1 3.74Å; F105-F129 HydrophobicContact CD2-CE1 4.06Å; F105-F129 HydrophobicContact CD2-CG 4.47Å; F105-F129 AromaticContact CE2-CD1 3.72Å; F105-F129 HydrophobicContact CE2-CD1 3.72Å; F105-F129 AromaticContact CE2-CE1 3.54Å; F105-F129 HydrophobicContact CE2-CE1 3.54Å; F105-F129 HydrophobicContact CE2-CZ 4.33Å; F105-F129 HydrophobicContact CZ-CE1 4.45Å; L114-F129 HydrophobicContact CD2-CD1 3.76Å; L114-F129 HydrophobicContact CD2-CE1 3.68Å; I116-F129 HydrophobicContact CD1-CE1 3.94Å; I116-F129 HydrophobicContact CD1-CZ 4.14Å; I124-F129 HydrophobicContact CG2-CE2 3.75Å; I124-F129 HydrophobicContact CG2-CZ 4.34Å; F127-F129 VanDerWaalsContact C-N 3.25Å; F127-F129 PolarHBondContact O-N 2.86Å; F129-G131 PolarHBondContact O-N 2.88Å; F129-L132 HydrophobicContact CB-CD1 4.12Å; F129-L132 HydrophobicContact CD1-CD1 4Å; F129-L132 PolarHBondContact O-N 3.04Å; F129-F138 HydrophobicContact CD1-CE2 4.33Å; F129-F138 AromaticContact CE1-CE2 3.62Å; F129-F138 HydrophobicContact CE1-CE2 3.62Å; F129-F138 HydrophobicContact CE1-CZ 4.06Å; F129-F138 AromaticContact CZ-CE2 3.95Å; F129-F138 HydrophobicContact CZ-CE2 3.95Å; F129-F138 AromaticContact CZ-CZ 3.91Å; F129-F138 HydrophobicContact CZ-CZ 3.91Å; F129-L150 HydrophobicContact CB-CD2 4.13Å; F129-L150 HydrophobicContact CD2-CD2 3.13Å; F129-L150 HydrophobicContact CD2-CG 4.46Å; F129-L150 HydrophobicContact CE2-CD2 3.58Å; F129-L150 HydrophobicContact CG-CD2 3.8Å
130	R	80.6	Confident	81.4	Confident	108 Å²	108	42.9 Å²	42.9	41%	0.408	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	132.8	-179.4	-173	168.4	70	173.1	5.2	110.2	D103 F127	D103-R130 IonicContact OD1-CZ 3.16Å; D103-R130 IonicContact OD1-NE 2.7Å; D103-R130 PolarHBondContact OD1-NE 2.85Å; D103-R130 IonicContact OD1-NH2 2.98Å; D103-R130 PolarHBondContact OD1-NH2 2.83Å; D103-R130 IonicContact OD2-CZ 3.59Å; D103-R130 IonicContact OD2-NE 3.44Å; D103-R130 IonicContact OD2-NH2 2.81Å; D103-R130 PolarHBondContact OD2-NH2 2.98Å; F127-R130 VanDerWaalsContact O-CB 3.24Å; F127-R130 WeakPolarHBondContact O-CB 3.1Å; F127-R130 PolarHBondContact O-N 2.88Å; F127-R130 VanDerWaalsContact O-N 3.13Å
131	G	77.4	Confident	81	Confident	41 Å²	41	34.4 Å²	34.4	42%	0.423	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.6	-6.1	176.1	0	0	0	0	0	116.1	F129 K133	F129-G131 PolarHBondContact O-N 2.88Å; G131-K133 PolarHBondContact O-N 3.06Å
132	L	83.8	Confident	80.1	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.215	C	C	.	.			trans	-75.4	65.9	175.9	-62.9	-177.3	0	0	0	112.7	F105 L108 L111 L114 F129 T134 L135	F105-L132 HydrophobicContact CB-CD1 4.09Å; F105-L132 HydrophobicContact CB-CD2 3.92Å; F105-L132 HydrophobicContact CB-CG 4.21Å; F105-L132 HydrophobicContact CD2-CD1 4.36Å; F105-L132 HydrophobicContact CG-CD1 4.41Å; L108-L132 HydrophobicContact CB-CD2 4.1Å; L111-L132 HydrophobicContact CB-CD2 4.25Å; L111-L132 HydrophobicContact CD2-CD1 4.45Å; L111-L132 HydrophobicContact CD2-CD2 3.82Å; L114-L132 HydrophobicContact CD2-CD1 3.88Å; F129-L132 HydrophobicContact CB-CD1 4.12Å; F129-L132 HydrophobicContact CD1-CD1 4Å; F129-L132 PolarHBondContact O-N 3.04Å; L132-T134 VanDerWaalsContact C-N 3.29Å; L132-T134 PolarHBondContact O-N 2.72Å; L132-L135 HydrophobicContact CB-CB 4.33Å; L132-L135 HydrophobicContact CD1-CD2 4.29Å
133	K	80.6	Confident	79.4	Confident	158 Å²	158	37.2 Å²	37.2	69%	0.687	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-17.4	-173.2	-63.6	177.4	-176	176.6	0	114.4	G131	G131-K133 PolarHBondContact O-N 3.06Å
134	T	82.8	Confident	78.5	Confident	33 Å²	33	43.7 Å²	43.7	20%	0.202	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	1.1	-172.9	40.3	0	0	0	0	113.3	A109 L111 L132 L136	A109-T134 VanDerWaalsContact O-CG2 3.27Å; A109-T134 WeakPolarHBondContact O-CG2 3.2Å; A109-T134 PolarHBondContact O-OG1 3.04Å; L111-T134 PolarHBondContact N-OG1 2.72Å; L111-T134 CarbonylContact O-C 3.56Å; L111-T134 VanDerWaalsContact O-C 3.23Å; L111-T134 PolarHBondContact O-OG1 3.07Å; L132-T134 VanDerWaalsContact C-N 3.29Å; L132-T134 PolarHBondContact O-N 2.72Å; T134-L136 PolarHBondContact O-N 2.69Å
135	L	82.4	Confident	77.2	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.01	22%	0.215	C	C	.	.			trans	-65	120.6	-175.4	-159	72.1	0	0	0	111.2	L111 L114 L132 F138 L156 K158 L159	L111-L135 HydrophobicContact CD2-CD1 4.14Å; L111-L135 HydrophobicContact CG-CD1 4.21Å; L111-L135 WeakPolarHBondContact O-CA 3.43Å; L111-L135 PolarHBondContact O-N 3.36Å; L114-L135 HydrophobicContact CB-CD1 3.68Å; L114-L135 HydrophobicContact CB-CD2 4.35Å; L132-L135 HydrophobicContact CB-CB 4.33Å; L132-L135 HydrophobicContact CD1-CD2 4.29Å; L135-F138 HydrophobicContact CD2-CB 3.95Å; L135-F138 HydrophobicContact CD2-CD2 4.29Å; L135-F138 HydrophobicContact CD2-CG 4.45Å; L135-L156 HydrophobicContact CB-CD2 4.42Å; L135-L156 HydrophobicContact CD2-CD2 3.91Å; L135-K158 CarbonylContact O-C 3.59Å; L135-K158 VanDerWaalsContact O-C 3.29Å; L135-L159 HydrophobicContact CB-CD1 4.43Å; L135-L159 HydrophobicContact CD2-CD1 4.13Å; L135-L159 HydrophobicContact CG-CD1 4.12Å; L135-L159 WeakPolarHBondContact O-CA 3.37Å; L135-L159 PolarHBondContact O-N 3.08Å
136	L	81.9	Confident	75.5	Confident	34 Å²	34	45.9 Å²	45.9	18%	0.178	22%	0.222	C	C	.	.			trans	-98.1	-40	178.4	-59.4	179.8	0	0	0	111.1	E112 T134 K158 E160 R161	E112-L136 HydrophobicContact CB-CD1 4.12Å; E112-L136 HydrophobicContact CB-CG 4.2Å; E112-L136 HydrophobicContact CG-CD1 4.09Å; E112-L136 HydrophobicContact CG-CG 4.3Å; E112-L136 PolarHBondContact O-N 2.75Å; T134-L136 PolarHBondContact O-N 2.69Å; L136-K158 HydrophobicContact CD2-CB 4.26Å; L136-K158 WeakPolarHBondContact CD2-O 3.21Å; L136-E160 HydrophobicContact CD2-CG 4.31Å; L136-E160 PolarHBondContact O-N 2.56Å; L136-R161 PolarHBondContact O-N 3.3Å
137	H	81.7	Confident	74.5	Confident	38 Å²	38	48.5 Å²	48.5	18%	0.176	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	124.5	-178.6	-161.8	139.2	0	0	0	111.2	E112 Y113 L114 F115 R161	E112-H137 PolarHBondContact O-N 3.01Å; Y113-H137 HydrophobicContact CD1-CB 3.67Å; Y113-H137 HydrophobicContact CE1-CB 4.15Å; L114-H137 PolarHBondContact N-O 2.83Å; F115-H137 AromaticContact CE1-CD2 3.6Å; F115-H137 AromaticContact CE1-CG 3.94Å; F115-H137 AromaticContact CE1-NE2 3.75Å; H137-R161 WeakPolarHBondContact CA-O 3.45Å; H137-R161 WeakPolarHBondContact CE1-CD 3.25Å
138	F	82.4	Confident	73.1	Confident	3 Å²	3	45.2 Å²	45.2	1%	0.013	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	121.2	171.3	179.1	-113.5	0	0	0	110.6	L114 I116 F129 L135 K140 L150 L159 R161 M162 D163 L164	L114-F138 HydrophobicContact CB-CD2 4.31Å; L114-F138 HydrophobicContact CD2-CD2 4.18Å; L114-F138 HydrophobicContact CD2-CE2 4.16Å; L114-F138 HydrophobicContact CG-CD2 4.23Å; L114-F138 HydrophobicContact CG-CE2 4.38Å; L114-F138 WeakPolarHBondContact O-CA 3.28Å; I116-F138 HydrophobicContact CD1-CE2 4.34Å; F129-F138 HydrophobicContact CD1-CE2 4.33Å; F129-F138 AromaticContact CE1-CE2 3.62Å; F129-F138 HydrophobicContact CE1-CE2 3.62Å; F129-F138 HydrophobicContact CE1-CZ 4.06Å; F129-F138 AromaticContact CZ-CE2 3.95Å; F129-F138 HydrophobicContact CZ-CE2 3.95Å; F129-F138 AromaticContact CZ-CZ 3.91Å; F129-F138 HydrophobicContact CZ-CZ 3.91Å; L135-F138 HydrophobicContact CD2-CB 3.95Å; L135-F138 HydrophobicContact CD2-CD2 4.29Å; L135-F138 HydrophobicContact CD2-CG 4.45Å; F138-K140 HydrophobicContact CE1-CB 4Å; F138-K140 HydrophobicContact CZ-CB 3.9Å; F138-L150 HydrophobicContact CE1-CD1 4.44Å; F138-L159 HydrophobicContact CB-CD1 3.81Å; F138-L159 HydrophobicContact CB-CD2 4.36Å; F138-R161 PolarHBondContact N-O 3.44Å; F138-M162 HydrophobicContact CD1-CE 3.84Å; F138-M162 HydrophobicContact CD1-CG 4.15Å; F138-M162 HydrophobicContact CE1-CE 4.07Å; F138-M162 WeakPolarHBondContact O-CA 3.37Å; F138-D163 PolarHBondContact O-N 2.95Å; F138-L164 HydrophobicContact CE1-CD2 4.27Å
139	S	79.9	Confident	71.6	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.007	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125.7	173.1	-175.6	0	0	0	0	109.8	L114 I116 E117 T141	L114-S139 PolarHBondContact O-N 2.64Å; I116-S139 PolarHBondContact N-O 3.09Å; E117-S139 VanDerWaalsContact OE1-CB 3.23Å; E117-S139 WeakPolarHBondContact OE1-CB 3.45Å; E117-S139 PolarHBondContact OE1-OG 2.82Å; S139-T141 PolarHBondContact OG-OG1 2.83Å; S139-T141 VanDerWaalsContact OG-OG1 3.13Å
140	K	78.3	Confident	70.3	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.009	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	93.6	167.3	-175	-165.8	173.5	-174.3	0	107.6	I116 I124 F138 N143 F147 V148 D163 L164 N167	I116-K140 WeakPolarHBondContact O-CA 3.48Å; I124-K140 HydrophobicContact CD1-CD 4.49Å; F138-K140 HydrophobicContact CE1-CB 4Å; F138-K140 HydrophobicContact CZ-CB 3.9Å; K140-N143 WeakPolarHBondContact CG-ND2 3.49Å; K140-F147 PolarHBondContact NZ-O 2.95Å; K140-V148 HydrophobicContact CD-CG2 3.57Å; K140-V148 VanDerWaalsContact NZ-CG2 3.31Å; K140-D163 PolarHBondContact N-O 2.7Å; K140-L164 HydrophobicContact CB-CD2 3.93Å; K140-L164 WeakPolarHBondContact O-CA 3.19Å; K140-N167 PolarHBondContact O-ND2 2.68Å
141	T	75.1	Confident	68.7	Low	7 Å²	7	44.3 Å²	44.3	4%	0.043	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.3	-169.9	-50	0	0	0	0	111.3	I116 N118 S139 N143 R165	I116-T141 PolarHBondContact O-N 3.49Å; N118-T141 PolarHBondContact N-O 2.88Å; S139-T141 PolarHBondContact OG-OG1 2.83Å; S139-T141 VanDerWaalsContact OG-OG1 3.13Å; T141-N143 VanDerWaalsContact C-N 3.29Å; T141-N143 PolarHBondContact O-N 2.8Å; T141-R165 VanDerWaalsContact CA-O 3.32Å; T141-R165 WeakPolarHBondContact CA-O 3.45Å; T141-R165 HydrophobicContact CG2-CB 4.08Å; T141-R165 WeakPolarHBondContact CG2-O 3.48Å
142	Y	68.6	Low	67.4	Low	127 Å²	127	44.2 Å²	44.2	50%	0.498	21%	0.21	S	C	.	.	S	Bend	trans	57.7	33.4	179.2	-54.5	-73.6	0	0	0	115.2	N118 R165	N118-Y142 WeakPolarHBondContact OD1-CB 3.13Å; N118-Y142 WeakPolarHBondContact OD1-CD2 3.19Å; Y142-R165 PolarHBondContact N-O 3.27Å
143	N	66.9	Low	65.9	Low	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.239	C	C	.	.			trans	-94.8	102.3	171.2	-60.8	-33.5	0	0	0	107	I116 N119 I121 K140 T141 T145 N167	I116-N143 PolarHBondContact O-ND2 2.79Å; N119-N143 WeakPolarHBondContact CA-OD1 3.29Å; N119-N143 PolarHBondContact N-OD1 2.74Å; N119-N143 WeakPolarHBondContact O-CA 3.47Å; N119-N143 PolarHBondContact O-OD1 2.61Å; I121-N143 HydrophobicContact CD1-CB 4.45Å; K140-N143 WeakPolarHBondContact CG-ND2 3.49Å; T141-N143 VanDerWaalsContact C-N 3.29Å; T141-N143 PolarHBondContact O-N 2.8Å; N143-T145 PolarHBondContact O-N 2.91Å; N143-N167 PolarHBondContact O-OD1 2.95Å; N143-N167 VanDerWaalsContact O-OD1 3.04Å
144	Y	59.5	Low	64.6	Low	198 Å²	198	51.2 Å²	51.2	78%	0.776	24%	0.242	S	C	*	.			trans	-54.3	2.2	-169.8	-65	-87.5	0	0	0	117.4
145	T	55.1	Low	63.3	Low	45 Å²	45	50.5 Å²	50.5	28%	0.276	24%	0.241	S	C	.	.	S	Bend	trans	-103.7	136	179.4	48.1	0	0	0	0	112.5	I121 N143 F147	I121-T145 VanDerWaalsContact O-CB 3.29Å; I121-T145 WeakPolarHBondContact O-CB 3.37Å; I121-T145 WeakPolarHBondContact O-CG2 3.38Å; I121-T145 PolarHBondContact O-OG1 2.95Å; N143-T145 PolarHBondContact O-N 2.91Å; T145-F147 PolarHBondContact O-N 3.14Å; T145-F147 VanDerWaalsContact O-N 3.07Å
146	A	47.9	Very low	62.5	Low	32 Å²	32	51.2 Å²	51.2	26%	0.264	25%	0.245	S	C	.	.			trans	-70.9	1.7	-169.4	0	0	0	0	0	116.2	N168 I170	A146-N168 WeakPolarHBondContact CA-O 3.28Å; A146-N168 HydrophobicContact CB-CB 4.2Å; A146-N168 WeakPolarHBondContact CB-O 3.46Å; A146-I170 HydrophobicContact CB-CG1 4.15Å
147	F	51.7	Low	61.9	Low	101 Å²	101	57.9 Å²	57.9	44%	0.443	27%	0.272	S	S	.	.			trans	-115.6	112.7	-160.8	-132.3	-115.5	0	0	0	112.1	K140 T145 V149 K174	K140-F147 PolarHBondContact NZ-O 2.95Å; T145-F147 PolarHBondContact O-N 3.14Å; T145-F147 VanDerWaalsContact O-N 3.07Å; F147-V149 HydrophobicContact CD1-CB 4.43Å; F147-V149 HydrophobicContact CD1-CG2 3.6Å; F147-V149 HydrophobicContact CE1-CB 4.24Å; F147-V149 HydrophobicContact CE1-CG2 3.14Å; F147-V149 HydrophobicContact CG-CG2 4.5Å; F147-V149 HydrophobicContact CZ-CG2 3.69Å; F147-K174 HydrophobicContact CE2-CD 3.9Å; F147-K174 HydrophobicContact CZ-CD 3.77Å
148	V	52.5	Low	61.6	Low	10 Å²	10	62 Å²	62	6%	0.061	29%	0.29	C	S	.	.			trans	-122.3	89.8	161.2	-179.4	0	0	0	0	105.9	K140 L150 W177	K140-V148 HydrophobicContact CD-CG2 3.57Å; K140-V148 VanDerWaalsContact NZ-CG2 3.31Å; V148-L150 HydrophobicContact CG1-CB 4.47Å; V148-L150 HydrophobicContact CG1-CD1 3.54Å; V148-L150 HydrophobicContact CG1-CG 3.61Å; V148-L150 PolarHBondContact O-N 2.89Å; V148-W177 HydrophobicContact CG1-CZ2 4.03Å; V148-W177 PolarHBondContact O-NE1 3Å
149	V	51.5	Low	61.4	Low	32 Å²	32	62.2 Å²	62.2	19%	0.194	29%	0.291	C	S	.	.			trans	-88.4	98.7	162.4	176.3	0	0	0	0	106.2	P126 F147 N151	P126-V149 HydrophobicContact CB-CG1 3.79Å; P126-V149 HydrophobicContact CG-CG1 3.86Å; F147-V149 HydrophobicContact CD1-CB 4.43Å; F147-V149 HydrophobicContact CD1-CG2 3.6Å; F147-V149 HydrophobicContact CE1-CB 4.24Å; F147-V149 HydrophobicContact CE1-CG2 3.14Å; F147-V149 HydrophobicContact CG-CG2 4.5Å; F147-V149 HydrophobicContact CZ-CG2 3.69Å; V149-N151 HydrophobicContact CG1-CB 4.2Å
150	L	54.7	Low	61.5	Low	5 Å²	5	68.3 Å²	68.3	3%	0.026	32%	0.319	C	S	.	.			trans	-99	86.6	163.6	-73.5	163.8	0	0	0	106	F129 F138 V148 N152 L156 M162 W177	F129-L150 HydrophobicContact CB-CD2 4.13Å; F129-L150 HydrophobicContact CD2-CD2 3.13Å; F129-L150 HydrophobicContact CD2-CG 4.46Å; F129-L150 HydrophobicContact CE2-CD2 3.58Å; F129-L150 HydrophobicContact CG-CD2 3.8Å; F138-L150 HydrophobicContact CE1-CD1 4.44Å; V148-L150 HydrophobicContact CG1-CB 4.47Å; V148-L150 HydrophobicContact CG1-CD1 3.54Å; V148-L150 HydrophobicContact CG1-CG 3.61Å; V148-L150 PolarHBondContact O-N 2.89Å; L150-N152 PolarHBondContact O-N 3.12Å; L150-L156 HydrophobicContact CD1-CD1 4.36Å; L150-M162 HydrophobicContact CD1-CE 3.95Å; L150-W177 HydrophobicContact CB-CD2 4.47Å; L150-W177 HydrophobicContact CB-CE3 4.37Å; L150-W177 HydrophobicContact CB-CH2 3.58Å; L150-W177 HydrophobicContact CB-CZ2 3.62Å; L150-W177 HydrophobicContact CB-CZ3 3.95Å; L150-W177 HydrophobicContact CD1-CH2 3.39Å; L150-W177 HydrophobicContact CD1-CZ2 3.92Å; L150-W177 HydrophobicContact CD1-CZ3 4.15Å; L150-W177 HydrophobicContact CG-CH2 3.99Å; L150-W177 HydrophobicContact CG-CZ2 4.13Å
151	N	48.4	Very low	61.7	Low	61 Å²	61	72.4 Å²	72.4	33%	0.326	34%	0.335	S	S	.	.			trans	-81	57.8	175.1	-157.1	-3.7	0	0	0	110.7	P126 V149 D545	P126-N151 HydrophobicContact CB-CB 3.89Å; P126-N151 PolarHBondContact O-N 3.23Å; V149-N151 HydrophobicContact CG1-CB 4.2Å; N151-D545 PolarHBondContact ND2-OXT 3.07Å
152	N	50.6	Low	62.1	Low	39 Å²	39	72.2 Å²	72.2	21%	0.209	33%	0.333	C	S	.	.			trans	-142.5	64.7	-178	-86.5	-42.2	0	0	0	111.2	L150 K154 G155	L150-N152 PolarHBondContact O-N 3.12Å; N152-K154 PolarHBondContact O-N 2.73Å; N152-G155 PolarHBondContact O-N 3.42Å
153	Q	50.7	Low	62.8	Low	134 Å²	134	66.6 Å²	66.6	63%	0.626	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-9.2	166.6	-74.4	-174.5	-22.7	0	0	114.1	E180	Q153-E180 PolarHBondContact NE2-OE2 2.02Å
154	K	53.6	Low	63.6	Low	172 Å²	172	66.8 Å²	66.8	75%	0.748	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.4	-10.7	-174.7	-64.2	-178.9	-178.3	173.3	0	115.7	N152 K157	N152-K154 PolarHBondContact O-N 2.73Å; K154-K157 WeakPolarHBondContact O-CE 3.29Å
155	G	55	Low	64.8	Low	17 Å²	17	62.3 Å²	62.3	18%	0.175	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-39.6	-169.2	0	0	0	0	0	115.7	N152 K157	N152-G155 PolarHBondContact O-N 3.42Å; G155-K157 PolarHBondContact O-N 2.88Å
156	L	67.1	Low	65.9	Low	18 Å²	18	62.4 Å²	62.4	9%	0.094	31%	0.305	C	S	.	.			trans	-95.3	45.3	-169.2	-58.9	175.8	0	0	0	112.9	L135 L150 K158 L159	L135-L156 HydrophobicContact CB-CD2 4.42Å; L135-L156 HydrophobicContact CD2-CD2 3.91Å; L150-L156 HydrophobicContact CD1-CD1 4.36Å; L156-K158 VanDerWaalsContact C-N 3.29Å; L156-K158 PolarHBondContact O-N 2.89Å; L156-L159 HydrophobicContact CB-CB 4.4Å
157	K	67.9	Low	67.3	Low	174 Å²	174	61.8 Å²	61.8	76%	0.757	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-20.1	-173.9	-67	-172.4	178.6	-172.2	0	114.6	K154 G155	K154-K157 WeakPolarHBondContact O-CE 3.29Å; G155-K157 PolarHBondContact O-N 2.88Å
158	K	75.7	Confident	68.7	Low	124 Å²	124	60.5 Å²	60.5	54%	0.539	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	5.6	-178	-70.4	-166.7	174.9	-171.6	0	113.6	L135 L136 L156 E160	L135-K158 CarbonylContact O-C 3.59Å; L135-K158 VanDerWaalsContact O-C 3.29Å; L136-K158 HydrophobicContact CD2-CB 4.26Å; L136-K158 WeakPolarHBondContact CD2-O 3.21Å; L156-K158 VanDerWaalsContact C-N 3.29Å; L156-K158 PolarHBondContact O-N 2.89Å; K158-E160 PolarHBondContact O-N 3.18Å
159	L	78.7	Confident	70.1	Confident	7 Å²	7	60.2 Å²	60.2	4%	0.037	29%	0.292	C	S	.	.			trans	-66.7	122.1	-175.8	-159.7	74.9	0	0	0	109.7	L135 F138 L156 M162 W181 A187	L135-L159 HydrophobicContact CB-CD1 4.43Å; L135-L159 HydrophobicContact CD2-CD1 4.13Å; L135-L159 HydrophobicContact CG-CD1 4.12Å; L135-L159 WeakPolarHBondContact O-CA 3.37Å; L135-L159 PolarHBondContact O-N 3.08Å; F138-L159 HydrophobicContact CB-CD1 3.81Å; F138-L159 HydrophobicContact CB-CD2 4.36Å; L156-L159 HydrophobicContact CB-CB 4.4Å; L159-M162 HydrophobicContact CD2-CB 3.85Å; L159-M162 HydrophobicContact CD2-CG 4.13Å; L159-M162 HydrophobicContact CD2-SD 4.37Å; L159-W181 HydrophobicContact CB-CZ2 4.1Å; L159-W181 HydrophobicContact CD2-CH2 3.75Å; L159-W181 HydrophobicContact CD2-CZ2 3.6Å; L159-W181 HydrophobicContact CG-CZ2 4.37Å; L159-A187 WeakPolarHBondContact O-CB 3.31Å
160	E	82.9	Confident	71.7	Confident	129 Å²	129	61.6 Å²	61.6	60%	0.603	30%	0.298	S	S	*	.			trans	-101.2	-23.8	178.6	-64.7	-177	175.7	0	0	111.7	L136 K158 A187 T188	L136-E160 HydrophobicContact CD2-CG 4.31Å; L136-E160 PolarHBondContact O-N 2.56Å; K158-E160 PolarHBondContact O-N 3.18Å; E160-A187 CarbonylContact O-C 3.59Å; E160-A187 VanDerWaalsContact O-CA 3.31Å; E160-A187 WeakPolarHBondContact O-CA 3.26Å; E160-T188 PolarHBondContact O-N 2.79Å; E160-T188 PolarHBondContact O-OG1 2.81Å
161	R	81.8	Confident	73.3	Confident	89 Å²	89	61.3 Å²	61.3	34%	0.336	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	134.6	178.4	-175.8	162.9	175.7	119.9	17	112.5	L136 H137 F138 T188 D190	L136-R161 PolarHBondContact O-N 3.3Å; H137-R161 WeakPolarHBondContact CA-O 3.45Å; H137-R161 WeakPolarHBondContact CE1-CD 3.25Å; F138-R161 PolarHBondContact N-O 3.44Å; R161-T188 WeakPolarHBondContact CA-O 3.44Å; R161-D190 IonicContact CZ-OD2 3.38Å; R161-D190 IonicContact NH2-OD1 3.06Å; R161-D190 PolarHBondContact NH2-OD1 2.84Å; R161-D190 IonicContact NH2-OD2 3.88Å; R161-D190 PolarHBondContact NH2-OD2 2.94Å
162	M	83.8	Confident	74.9	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	121.5	174.1	-166.4	-175.4	-166.2	0	0	110.8	F138 L150 L159 L164 W177 L178 W181 T188 L189	F138-M162 HydrophobicContact CD1-CE 3.84Å; F138-M162 HydrophobicContact CD1-CG 4.15Å; F138-M162 HydrophobicContact CE1-CE 4.07Å; F138-M162 WeakPolarHBondContact O-CA 3.37Å; L150-M162 HydrophobicContact CD1-CE 3.95Å; L159-M162 HydrophobicContact CD2-CB 3.85Å; L159-M162 HydrophobicContact CD2-CG 4.13Å; L159-M162 HydrophobicContact CD2-SD 4.37Å; M162-L164 HydrophobicContact CE-CD1 3.64Å; M162-L164 HydrophobicContact CE-CD2 3.97Å; M162-L164 HydrophobicContact CE-CG 3.92Å; M162-L164 HydrophobicContact CG-CG 4.23Å; M162-L164 HydrophobicContact SD-CD1 4.11Å; M162-L164 HydrophobicContact SD-CG 4.36Å; M162-W177 HydrophobicContact CE-CH2 4.38Å; M162-L178 HydrophobicContact CE-CD1 4.23Å; M162-L178 HydrophobicContact SD-CD1 4.07Å; M162-W181 HydrophobicContact CB-CH2 4.09Å; M162-W181 HydrophobicContact CB-CZ3 4.41Å; M162-W181 HydrophobicContact SD-CE3 4.24Å; M162-W181 HydrophobicContact SD-CH2 3.9Å; M162-W181 HydrophobicContact SD-CZ3 3.57Å; M162-W181 VanDerWaalsContact SD-CZ3 3.57Å; M162-T188 PolarHBondContact N-O 3.42Å; M162-T188 VanDerWaalsContact N-O 3.13Å; M162-L189 HydrophobicContact CB-CD2 3.71Å; M162-L189 HydrophobicContact CG-CD2 4.45Å; M162-L189 HydrophobicContact SD-CD2 4.37Å
163	D	83.8	Confident	76.4	Confident	10 Å²	10	59.9 Å²	59.9	5%	0.053	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.4	173.5	-166.3	-8.7	0	0	0	110	F138 K140 R165 D190	F138-D163 PolarHBondContact O-N 2.95Å; K140-D163 PolarHBondContact N-O 2.7Å; D163-R165 WeakPolarHBondContact OD1-CB 3.24Å; D163-R165 VanDerWaalsContact OD1-CG 3.27Å; D163-R165 WeakPolarHBondContact OD1-CG 3.45Å; D163-R165 IonicContact OD1-CZ 3Å; D163-R165 PolarHBondContact OD1-N 2.81Å; D163-R165 IonicContact OD1-NE 2.79Å; D163-R165 PolarHBondContact OD1-NE 2.88Å; D163-R165 IonicContact OD2-CZ 3.27Å; D163-R165 IonicContact OD2-NE 3.87Å; D163-R165 PolarHBondContact OD2-NE 2.92Å; D163-R165 IonicContact OD2-NH2 2.86Å; D163-R165 PolarHBondContact OD2-NH2 2.93Å; D163-D190 VanDerWaalsContact CG-OD2 3.31Å
164	L	82.8	Confident	77.6	Confident	3 Å²	3	59.2 Å²	59.2	2%	0.016	29%	0.285	C	S	.	.			trans	-125.1	19.5	178.1	-67.4	-179	0	0	0	111.8	F138 K140 M162 N167 L178 I192	F138-L164 HydrophobicContact CE1-CD2 4.27Å; K140-L164 HydrophobicContact CB-CD2 3.93Å; K140-L164 WeakPolarHBondContact O-CA 3.19Å; M162-L164 HydrophobicContact CE-CD1 3.64Å; M162-L164 HydrophobicContact CE-CD2 3.97Å; M162-L164 HydrophobicContact CE-CG 3.92Å; M162-L164 HydrophobicContact CG-CG 4.23Å; M162-L164 HydrophobicContact SD-CD1 4.11Å; M162-L164 HydrophobicContact SD-CG 4.36Å; L164-N167 VanDerWaalsContact C-ND2 3.28Å; L164-N167 PolarHBondContact O-ND2 3.44Å; L164-L178 HydrophobicContact CD1-CD1 4.27Å; L164-L178 HydrophobicContact CD1-CD2 3.81Å; L164-I192 HydrophobicContact CB-CD1 4.39Å; L164-I192 HydrophobicContact CB-CG2 4.08Å; L164-I192 HydrophobicContact CD1-CD1 4.32Å
165	R	84.9	Confident	79	Confident	105 Å²	105	51.4 Å²	51.4	40%	0.396	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	154.1	-177	-70.6	178.8	-67.1	175.2	6.3	112.2	T141 Y142 D163 N167 D190 I192	T141-R165 VanDerWaalsContact CA-O 3.32Å; T141-R165 WeakPolarHBondContact CA-O 3.45Å; T141-R165 HydrophobicContact CG2-CB 4.08Å; T141-R165 WeakPolarHBondContact CG2-O 3.48Å; Y142-R165 PolarHBondContact N-O 3.27Å; D163-R165 WeakPolarHBondContact OD1-CB 3.24Å; D163-R165 VanDerWaalsContact OD1-CG 3.27Å; D163-R165 WeakPolarHBondContact OD1-CG 3.45Å; D163-R165 IonicContact OD1-CZ 3Å; D163-R165 PolarHBondContact OD1-N 2.81Å; D163-R165 IonicContact OD1-NE 2.79Å; D163-R165 PolarHBondContact OD1-NE 2.88Å; D163-R165 IonicContact OD2-CZ 3.27Å; D163-R165 IonicContact OD2-NE 3.87Å; D163-R165 PolarHBondContact OD2-NE 2.92Å; D163-R165 IonicContact OD2-NH2 2.86Å; D163-R165 PolarHBondContact OD2-NH2 2.93Å; R165-N167 PolarHBondContact O-N 3Å; R165-N167 PolarHBondContact O-ND2 2.98Å; R165-D190 HydrophobicContact CG-CB 3.92Å; R165-D190 IonicContact CZ-OD2 3.99Å; R165-D190 IonicContact NE-OD2 3.2Å; R165-D190 IonicContact NH2-OD2 2.73Å; R165-I192 HydrophobicContact CG-CG2 4.17Å
166	G	77.3	Confident	80.3	Confident	47 Å²	47	52.3 Å²	52.3	49%	0.485	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	11.8	177.2	0	0	0	0	0	115.3
167	N	78.3	Confident	80.9	Confident	18 Å²	18	53 Å²	53	10%	0.096	25%	0.252	C	S	.	.	S	Bend	trans	-97	157	170.1	-59	-77.2	0	0	0	111.5	K140 N143 L164 R165 L169	K140-N167 PolarHBondContact O-ND2 2.68Å; N143-N167 PolarHBondContact O-OD1 2.95Å; N143-N167 VanDerWaalsContact O-OD1 3.04Å; L164-N167 VanDerWaalsContact C-ND2 3.28Å; L164-N167 PolarHBondContact O-ND2 3.44Å; R165-N167 PolarHBondContact O-N 3Å; R165-N167 PolarHBondContact O-ND2 2.98Å; N167-L169 HydrophobicContact CB-CD2 4.07Å; N167-L169 HydrophobicContact CB-CG 4.31Å; N167-L169 PolarHBondContact O-N 2.97Å
168	N	80.8	Confident	81.5	Confident	75 Å²	75	44.7 Å²	44.7	40%	0.401	22%	0.216	S	C	.	.			trans	-91.5	76.5	179	-172.8	23.9	0	0	0	111.5	A146 I170 S195	A146-N168 WeakPolarHBondContact CA-O 3.28Å; A146-N168 HydrophobicContact CB-CB 4.2Å; A146-N168 WeakPolarHBondContact CB-O 3.46Å; N168-I170 PolarHBondContact O-N 3.14Å; N168-S195 WeakPolarHBondContact OD1-CB 3.38Å; N168-S195 PolarHBondContact OD1-OG 2.84Å
169	L	82.3	Confident	82	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	115.4	-168.9	-59.6	173.8	0	0	0	112.2	N167 L175 I192 S195 I205	N167-L169 HydrophobicContact CB-CD2 4.07Å; N167-L169 HydrophobicContact CB-CG 4.31Å; N167-L169 PolarHBondContact O-N 2.97Å; L169-L175 HydrophobicContact CB-CD2 4.24Å; L169-I192 HydrophobicContact CD1-CB 4.13Å; L169-I192 HydrophobicContact CD1-CD1 4.31Å; L169-S195 PolarHBondContact O-N 2.88Å; L169-I205 HydrophobicContact CB-CD1 4.18Å; L169-I205 HydrophobicContact CD1-CD1 3.27Å; L169-I205 HydrophobicContact CG-CD1 4.32Å
170	I	85.2	Confident	82.2	Confident	61 Å²	61	40.7 Å²	40.7	31%	0.313	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	106.9	171.1	-55.2	-58.3	0	0	0	108.3	A146 N168 D172 L175 G196	A146-I170 HydrophobicContact CB-CG1 4.15Å; N168-I170 PolarHBondContact O-N 3.14Å; I170-D172 HydrophobicContact CG2-CB 4.23Å; I170-D172 PolarHBondContact O-N 2.86Å; I170-L175 WeakPolarHBondContact O-CB 3.28Å; I170-G196 CarbonylContact C-O 3.59Å
171	C	86.9	Confident	82.1	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.178	C	C	.	.			trans	-83.6	62.5	-178.9	-62.7	0	0	0	0	111	L175 C194 G196 P197 H200 L208 F213	C171-L175 HydrophobicContact CB-CD2 4.19Å; C171-L175 VanDerWaalsContact SG-CD2 3.53Å; C171-C194 HydrophobicContact CB-CB 3.77Å; C171-C194 WeakPolarHBondContact CB-SG 3.37Å; C171-C194 VanDerWaalsContact SG-CA 3.57Å; C171-C194 WeakPolarHBondContact SG-CB 3.48Å; C171-C194 CovalentContact SG-SG 2.02Å; C171-C194 PolarHBondContact SG-SG 2.97Å; C171-G196 PolarHBondContact N-O 2.79Å; C171-P197 VanDerWaalsContact O-CD 3.24Å; C171-P197 WeakPolarHBondContact O-CD 3.45Å; C171-H200 HydrophobicContact CB-CB 3.87Å; C171-H200 PolarHBondContact O-CD2 2.87Å; C171-L208 HydrophobicContact CB-CD1 4.08Å; C171-F213 HydrophobicContact CB-CE1 4.34Å; C171-F213 WeakPolarHBondContact O-CE1 3.15Å
172	D	82.2	Confident	82.2	Confident	56 Å²	56	33.2 Å²	33.2	30%	0.299	17%	0.166	S	C	.	.	S	Bend	trans	-103.1	-168.8	168.3	67.7	18.9	0	0	0	110.7	I170 K174 L175 K176 F213	I170-D172 HydrophobicContact CG2-CB 4.23Å; I170-D172 PolarHBondContact O-N 2.86Å; D172-K174 PolarHBondContact O-N 2.96Å; D172-K174 VanDerWaalsContact O-N 3.16Å; D172-K174 VanDerWaalsContact OD1-CB 3.27Å; D172-K174 WeakPolarHBondContact OD1-CB 3.4Å; D172-K174 PolarHBondContact OD1-N 3.42Å; D172-L175 PolarHBondContact O-N 2.95Å; D172-K176 PolarHBondContact O-N 2.93Å; D172-F213 WeakPolarHBondContact O-CD1 3.48Å; D172-F213 WeakPolarHBondContact O-CE1 3.28Å
173	C	81.9	Confident	82.1	Confident	14 Å²	14	37.3 Å²	37.3	10%	0.095	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-57.6	-28.8	-178.9	-72	0	0	0	0	114.8	L175 K176 D214 C215 L543	C173-L175 PolarHBondContact O-N 2.89Å; C173-K176 WeakPolarHBondContact O-CB 3.36Å; C173-K176 PolarHBondContact O-N 2.85Å; C173-K176 VanDerWaalsContact O-N 3.12Å; C173-D214 PolarHBondContact SG-O 2.85Å; C173-D214 VanDerWaalsContact SG-O 3.35Å; C173-C215 WeakPolarHBondContact CA-SG 3.33Å; C173-C215 HydrophobicContact CB-CB 3.75Å; C173-C215 WeakPolarHBondContact CB-SG 3.23Å; C173-C215 WeakPolarHBondContact SG-CA 3.45Å; C173-C215 WeakPolarHBondContact SG-CB 3.36Å; C173-C215 CovalentContact SG-SG 2.04Å; C173-C215 PolarHBondContact SG-SG 2.8Å; C173-L543 HydrophobicContact CB-CB 3.87Å
174	K	77.3	Confident	82	Confident	120 Å²	120	44.7 Å²	44.7	52%	0.522	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-69.7	-17.6	177.3	-56.5	-179.9	177.6	178.1	0	112.3	F147 D172 W177	F147-K174 HydrophobicContact CE2-CD 3.9Å; F147-K174 HydrophobicContact CZ-CD 3.77Å; D172-K174 PolarHBondContact O-N 2.96Å; D172-K174 VanDerWaalsContact O-N 3.16Å; D172-K174 VanDerWaalsContact OD1-CB 3.27Å; D172-K174 WeakPolarHBondContact OD1-CB 3.4Å; D172-K174 PolarHBondContact OD1-N 3.42Å; K174-W177 PolarHBondContact O-NE1 3.14Å
175	L	81.4	Confident	81.9	Confident	7 Å²	7	46 Å²	46	4%	0.037	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-102	-1.3	175.2	-155.2	73.8	0	0	0	112.8	L169 I170 C171 D172 C173 W177 L178 V179 I205	L169-L175 HydrophobicContact CB-CD2 4.24Å; I170-L175 WeakPolarHBondContact O-CB 3.28Å; C171-L175 HydrophobicContact CB-CD2 4.19Å; C171-L175 VanDerWaalsContact SG-CD2 3.53Å; D172-L175 PolarHBondContact O-N 2.95Å; C173-L175 PolarHBondContact O-N 2.89Å; L175-W177 PolarHBondContact O-N 2.95Å; L175-L178 HydrophobicContact CD1-CB 4.28Å; L175-L178 HydrophobicContact CD1-CD2 3.98Å; L175-L178 HydrophobicContact CD2-CD2 4.44Å; L175-L178 HydrophobicContact CG-CB 4.18Å; L175-L178 HydrophobicContact CG-CD2 4.18Å; L175-L178 WeakPolarHBondContact O-CB 3.34Å; L175-L178 PolarHBondContact O-N 3.39Å; L175-V179 PolarHBondContact O-N 2.83Å; L175-I205 HydrophobicContact CD2-CD1 4.15Å
176	K	82.9	Confident	81.7	Confident	37 Å²	37	49.3 Å²	49.3	16%	0.161	25%	0.253	C	S	.	.	H	α-helix	trans	-55.4	-39.7	179.2	-177.3	-174.7	170.9	-160.2	0	111.7	D172 C173 L178 V179 E180 F213 S544	D172-K176 PolarHBondContact O-N 2.93Å; C173-K176 WeakPolarHBondContact O-CB 3.36Å; C173-K176 PolarHBondContact O-N 2.85Å; C173-K176 VanDerWaalsContact O-N 3.12Å; K176-L178 PolarHBondContact O-N 3.12Å; K176-V179 PolarHBondContact O-N 3.18Å; K176-V179 VanDerWaalsContact O-N 3.15Å; K176-E180 WeakPolarHBondContact CE-OE1 3.46Å; K176-E180 HydrophobicContact CG-CG 4.46Å; K176-E180 IonicContact NZ-OE1 3.88Å; K176-E180 WeakPolarHBondContact O-CG 3.13Å; K176-E180 PolarHBondContact O-N 2.95Å; K176-F213 HydrophobicContact CB-CB 4.43Å; K176-F213 HydrophobicContact CB-CD1 4.31Å; K176-F213 HydrophobicContact CB-CG 4.19Å; K176-F213 HydrophobicContact CD-CB 4.29Å; K176-F213 HydrophobicContact CG-CB 4.26Å; K176-F213 HydrophobicContact CG-CD2 4.34Å; K176-F213 HydrophobicContact CG-CG 4.26Å; K176-S544 PolarHBondContact NZ-OG 3.32Å
177	W	80	Confident	81.8	Confident	31 Å²	31	47.7 Å²	47.7	12%	0.117	24%	0.235	C	C	.	.	H	α-helix	trans	-56.2	-36.8	177.6	76.5	-94	0	0	0	112.7	V148 L150 M162 K174 L175 E180 W181	V148-W177 HydrophobicContact CG1-CZ2 4.03Å; V148-W177 PolarHBondContact O-NE1 3Å; L150-W177 HydrophobicContact CB-CD2 4.47Å; L150-W177 HydrophobicContact CB-CE3 4.37Å; L150-W177 HydrophobicContact CB-CH2 3.58Å; L150-W177 HydrophobicContact CB-CZ2 3.62Å; L150-W177 HydrophobicContact CB-CZ3 3.95Å; L150-W177 HydrophobicContact CD1-CH2 3.39Å; L150-W177 HydrophobicContact CD1-CZ2 3.92Å; L150-W177 HydrophobicContact CD1-CZ3 4.15Å; L150-W177 HydrophobicContact CG-CH2 3.99Å; L150-W177 HydrophobicContact CG-CZ2 4.13Å; M162-W177 HydrophobicContact CE-CH2 4.38Å; K174-W177 PolarHBondContact O-NE1 3.14Å; L175-W177 PolarHBondContact O-N 2.95Å; W177-E180 PolarHBondContact O-N 2.83Å; W177-W181 HydrophobicContact CE3-CB 4.43Å; W177-W181 HydrophobicContact CZ3-CB 4.46Å; W177-W181 WeakPolarHBondContact O-CB 3.34Å; W177-W181 PolarHBondContact O-N 2.63Å
178	L	80.6	Confident	81.9	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-69.6	-44.6	-178.7	176.3	61.7	0	0	0	109.3	M162 L164 L175 K176 E180 W181 I182 I205	M162-L178 HydrophobicContact CE-CD1 4.23Å; M162-L178 HydrophobicContact SD-CD1 4.07Å; L164-L178 HydrophobicContact CD1-CD1 4.27Å; L164-L178 HydrophobicContact CD1-CD2 3.81Å; L175-L178 HydrophobicContact CD1-CB 4.28Å; L175-L178 HydrophobicContact CD1-CD2 3.98Å; L175-L178 HydrophobicContact CD2-CD2 4.44Å; L175-L178 HydrophobicContact CG-CB 4.18Å; L175-L178 HydrophobicContact CG-CD2 4.18Å; L175-L178 WeakPolarHBondContact O-CB 3.34Å; L175-L178 PolarHBondContact O-N 3.39Å; K176-L178 PolarHBondContact O-N 3.12Å; L178-E180 VanDerWaalsContact C-N 3.33Å; L178-E180 PolarHBondContact O-N 2.97Å; L178-W181 HydrophobicContact CD1-CE3 4.09Å; L178-W181 PolarHBondContact O-N 3.16Å; L178-I182 HydrophobicContact CD1-CD1 4.15Å; L178-I182 HydrophobicContact CD1-CG1 4.28Å; L178-I182 HydrophobicContact CG-CD1 3.93Å; L178-I182 HydrophobicContact CG-CG1 4.47Å; L178-I182 WeakPolarHBondContact O-CG1 3.27Å; L178-I182 PolarHBondContact O-N 2.88Å; L178-I205 HydrophobicContact CD2-CD1 4.46Å; L178-I205 HydrophobicContact CD2-CG2 4.5Å
179	V	85.7	Confident	81.7	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.6	-45.3	175.4	179.2	0	0	0	0	110.2	L175 K176 W181 I182 H183 I205 L208 P210 F213	L175-V179 PolarHBondContact O-N 2.83Å; K176-V179 PolarHBondContact O-N 3.18Å; K176-V179 VanDerWaalsContact O-N 3.15Å; V179-W181 PolarHBondContact O-N 3.06Å; V179-I182 PolarHBondContact O-N 2.79Å; V179-H183 PolarHBondContact O-CD2 2.77Å; V179-H183 PolarHBondContact O-N 2.77Å; V179-I205 HydrophobicContact CG2-CG2 3.91Å; V179-L208 HydrophobicContact CG1-CB 4.09Å; V179-L208 VanDerWaalsContact CG1-O 3.27Å; V179-L208 WeakPolarHBondContact CG1-O 3.18Å; V179-L208 HydrophobicContact CG2-CB 4.15Å; V179-L208 HydrophobicContact CG2-CD1 4.37Å; V179-P210 HydrophobicContact CG1-CG 4.1Å; V179-F213 HydrophobicContact CB-CE2 4.03Å; V179-F213 HydrophobicContact CB-CZ 4.4Å; V179-F213 HydrophobicContact CG1-CE2 4.15Å; V179-F213 HydrophobicContact CG2-CE2 3.69Å; V179-F213 HydrophobicContact CG2-CZ 3.62Å
180	E	84.1	Confident	81.6	Confident	47 Å²	47	50.4 Å²	50.4	22%	0.22	25%	0.252	C	S	.	.	H	α-helix	trans	-59.1	-44.9	174.9	-72.6	176.3	167.6	0	0	112.8	Q153 K176 W177 L178 H183 H184 P210	Q153-E180 PolarHBondContact NE2-OE2 2.02Å; K176-E180 WeakPolarHBondContact CE-OE1 3.46Å; K176-E180 HydrophobicContact CG-CG 4.46Å; K176-E180 IonicContact NZ-OE1 3.88Å; K176-E180 WeakPolarHBondContact O-CG 3.13Å; K176-E180 PolarHBondContact O-N 2.95Å; W177-E180 PolarHBondContact O-N 2.83Å; L178-E180 VanDerWaalsContact C-N 3.33Å; L178-E180 PolarHBondContact O-N 2.97Å; E180-H183 PolarHBondContact O-N 2.85Å; E180-H184 PolarHBondContact O-N 3.41Å; E180-H184 PolarHBondContact O-ND1 2.94Å; E180-P210 HydrophobicContact CG-CB 3.65Å; E180-P210 HydrophobicContact CG-CG 3.74Å
181	W	80.8	Confident	81.5	Confident	40 Å²	40	53 Å²	53	15%	0.152	26%	0.263	C	S	.	.	H	α-helix	trans	-63.9	-40.9	178.7	175.8	85	0	0	0	111.8	L159 M162 W177 L178 V179 H183 H184 T185 A187 L189	L159-W181 HydrophobicContact CB-CZ2 4.1Å; L159-W181 HydrophobicContact CD2-CH2 3.75Å; L159-W181 HydrophobicContact CD2-CZ2 3.6Å; L159-W181 HydrophobicContact CG-CZ2 4.37Å; M162-W181 HydrophobicContact CB-CH2 4.09Å; M162-W181 HydrophobicContact CB-CZ3 4.41Å; M162-W181 HydrophobicContact SD-CE3 4.24Å; M162-W181 HydrophobicContact SD-CH2 3.9Å; M162-W181 HydrophobicContact SD-CZ3 3.57Å; M162-W181 VanDerWaalsContact SD-CZ3 3.57Å; W177-W181 HydrophobicContact CE3-CB 4.43Å; W177-W181 HydrophobicContact CZ3-CB 4.46Å; W177-W181 WeakPolarHBondContact O-CB 3.34Å; W177-W181 PolarHBondContact O-N 2.63Å; L178-W181 HydrophobicContact CD1-CE3 4.09Å; L178-W181 PolarHBondContact O-N 3.16Å; V179-W181 PolarHBondContact O-N 3.06Å; W181-H183 VanDerWaalsContact C-N 3.27Å; W181-H183 PolarHBondContact O-N 2.9Å; W181-H184 PolarHBondContact O-N 2.77Å; W181-H184 VanDerWaalsContact O-N 3.08Å; W181-T185 HydrophobicContact CD2-CG2 4.12Å; W181-T185 HydrophobicContact CE3-CG2 4.02Å; W181-T185 HydrophobicContact CH2-CG2 3.73Å; W181-T185 HydrophobicContact CZ2-CG2 3.82Å; W181-T185 WeakPolarHBondContact CZ2-OG1 3.23Å; W181-T185 HydrophobicContact CZ3-CG2 3.84Å; W181-T185 WeakPolarHBondContact O-CB 3.44Å; W181-T185 VanDerWaalsContact O-CG2 3.29Å; W181-T185 WeakPolarHBondContact O-CG2 3.31Å; W181-T185 PolarHBondContact O-N 2.83Å; W181-A187 HydrophobicContact CH2-CB 3.71Å; W181-A187 HydrophobicContact CZ2-CB 4.06Å; W181-L189 HydrophobicContact CH2-CD2 4.23Å; W181-L189 HydrophobicContact CZ3-CD1 4.35Å; W181-L189 HydrophobicContact CZ3-CD2 3.74Å; W181-L189 HydrophobicContact CZ3-CG 4.49Å
182	I	82.8	Confident	81.4	Confident	20 Å²	20	53.4 Å²	53.4	10%	0.103	27%	0.265	C	S	.	.	H	α-helix	trans	-58.5	-39	176.2	-69.4	169.4	0	0	0	111.2	L178 V179 H184 L189 I205	L178-I182 HydrophobicContact CD1-CD1 4.15Å; L178-I182 HydrophobicContact CD1-CG1 4.28Å; L178-I182 HydrophobicContact CG-CD1 3.93Å; L178-I182 HydrophobicContact CG-CG1 4.47Å; L178-I182 WeakPolarHBondContact O-CG1 3.27Å; L178-I182 PolarHBondContact O-N 2.88Å; V179-I182 PolarHBondContact O-N 2.79Å; I182-H184 VanDerWaalsContact C-N 3.28Å; I182-H184 PolarHBondContact O-N 2.9Å; I182-L189 HydrophobicContact CB-CD1 4.07Å; I182-L189 HydrophobicContact CD1-CD1 4.2Å; I182-L189 HydrophobicContact CG1-CD1 3.58Å; I182-L189 HydrophobicContact CG2-CD1 3.65Å; I182-I205 HydrophobicContact CD1-CG2 3.52Å
183	H	82.4	Confident	81.8	Confident	88 Å²	88	56 Å²	56	41%	0.407	27%	0.272	S	S	.	.	H	α-helix	trans	-72.5	-17.1	178.8	-77.3	-68.9	0	0	0	114.2	V179 E180 W181 L208	V179-H183 PolarHBondContact O-CD2 2.77Å; V179-H183 PolarHBondContact O-N 2.77Å; E180-H183 PolarHBondContact O-N 2.85Å; W181-H183 VanDerWaalsContact C-N 3.27Å; W181-H183 PolarHBondContact O-N 2.9Å; H183-L208 PolarHBondContact NE2-O 3.48Å
184	H	82.4	Confident	82.1	Confident	166 Å²	166	55.6 Å²	55.6	77%	0.769	27%	0.269	S	S	*	.	H	α-helix	trans	-113.1	-0.5	-176.5	-66.7	90.6	0	0	0	114.1	E180 W181 I182	E180-H184 PolarHBondContact O-N 3.41Å; E180-H184 PolarHBondContact O-ND1 2.94Å; W181-H184 PolarHBondContact O-N 2.77Å; W181-H184 VanDerWaalsContact O-N 3.08Å; I182-H184 VanDerWaalsContact C-N 3.28Å; I182-H184 PolarHBondContact O-N 2.9Å
185	T	79.4	Confident	82.7	Confident	31 Å²	31	52.1 Å²	52.1	19%	0.19	26%	0.259	C	S	.	.			trans	-106.1	150.3	-176.7	-168.2	0	0	0	0	112	W181 A187	W181-T185 HydrophobicContact CD2-CG2 4.12Å; W181-T185 HydrophobicContact CE3-CG2 4.02Å; W181-T185 HydrophobicContact CH2-CG2 3.73Å; W181-T185 HydrophobicContact CZ2-CG2 3.82Å; W181-T185 WeakPolarHBondContact CZ2-OG1 3.23Å; W181-T185 HydrophobicContact CZ3-CG2 3.84Å; W181-T185 WeakPolarHBondContact O-CB 3.44Å; W181-T185 VanDerWaalsContact O-CG2 3.29Å; W181-T185 WeakPolarHBondContact O-CG2 3.31Å; W181-T185 PolarHBondContact O-N 2.83Å; T185-A187 VanDerWaalsContact C-N 3.33Å; T185-A187 HydrophobicContact CG2-CB 3.95Å; T185-A187 WeakPolarHBondContact OG1-CB 3.41Å; T185-A187 PolarHBondContact OG1-N 3.47Å; T185-A187 VanDerWaalsContact OG1-N 3.17Å
186	N	80.8	Confident	82.7	Confident	173 Å²	173	52 Å²	52	93%	0.925	26%	0.261	S	S	*	.			trans	-94.8	7.7	168.7	-67.2	-26.9	0	0	0	112
187	A	79.6	Confident	82.8	Confident	13 Å²	13	52.5 Å²	52.5	11%	0.107	27%	0.267	C	S	.	.			trans	-64.5	145	-179.7	0	0	0	0	0	112.2	L159 E160 W181 T185	L159-A187 WeakPolarHBondContact O-CB 3.31Å; E160-A187 CarbonylContact O-C 3.59Å; E160-A187 VanDerWaalsContact O-CA 3.31Å; E160-A187 WeakPolarHBondContact O-CA 3.26Å; W181-A187 HydrophobicContact CH2-CB 3.71Å; W181-A187 HydrophobicContact CZ2-CB 4.06Å; T185-A187 VanDerWaalsContact C-N 3.33Å; T185-A187 HydrophobicContact CG2-CB 3.95Å; T185-A187 WeakPolarHBondContact OG1-CB 3.41Å; T185-A187 PolarHBondContact OG1-N 3.47Å; T185-A187 VanDerWaalsContact OG1-N 3.17Å
188	T	80	Confident	82.8	Confident	81 Å²	81	56.1 Å²	56.1	50%	0.497	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	129.6	168	53.8	0	0	0	0	110.5	E160 R161 M162	E160-T188 PolarHBondContact O-N 2.79Å; E160-T188 PolarHBondContact O-OG1 2.81Å; R161-T188 WeakPolarHBondContact CA-O 3.44Å; M162-T188 PolarHBondContact N-O 3.42Å; M162-T188 VanDerWaalsContact N-O 3.13Å
189	L	77.5	Confident	82.8	Confident	40 Å²	40	60.2 Å²	60.2	21%	0.209	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	131.7	-177.2	-69.2	159.4	0	0	0	110.5	M162 W181 I182	M162-L189 HydrophobicContact CB-CD2 3.71Å; M162-L189 HydrophobicContact CG-CD2 4.45Å; M162-L189 HydrophobicContact SD-CD2 4.37Å; W181-L189 HydrophobicContact CH2-CD2 4.23Å; W181-L189 HydrophobicContact CZ3-CD1 4.35Å; W181-L189 HydrophobicContact CZ3-CD2 3.74Å; W181-L189 HydrophobicContact CZ3-CG 4.49Å; I182-L189 HydrophobicContact CB-CD1 4.07Å; I182-L189 HydrophobicContact CD1-CD1 4.2Å; I182-L189 HydrophobicContact CG1-CD1 3.58Å; I182-L189 HydrophobicContact CG2-CD1 3.65Å
190	D	79.8	Confident	82.9	Confident	32 Å²	32	60.8 Å²	60.8	17%	0.171	32%	0.318	C	S	.	.			trans	-74	160.5	171.8	-73.7	-54.3	0	0	0	111.4	R161 D163 R165 I192	R161-D190 IonicContact CZ-OD2 3.38Å; R161-D190 IonicContact NH2-OD1 3.06Å; R161-D190 PolarHBondContact NH2-OD1 2.84Å; R161-D190 IonicContact NH2-OD2 3.88Å; R161-D190 PolarHBondContact NH2-OD2 2.94Å; D163-D190 VanDerWaalsContact CG-OD2 3.31Å; R165-D190 HydrophobicContact CG-CB 3.92Å; R165-D190 IonicContact CZ-OD2 3.99Å; R165-D190 IonicContact NE-OD2 3.2Å; R165-D190 IonicContact NH2-OD2 2.73Å; D190-I192 PolarHBondContact O-N 3.22Å; D190-I192 VanDerWaalsContact O-N 3.09Å
191	Q	82.4	Confident	83.2	Confident	116 Å²	116	64.5 Å²	64.5	54%	0.542	34%	0.336	S	S	.	.			trans	-71.1	107.6	-177.7	-59.2	-168.3	-2.7	0	0	111.4	Y193	Q191-Y193 HydrophobicContact CB-CE2 4.12Å; Q191-Y193 PolarHBondContact OE1-OH 3.29Å; Q191-Y193 VanDerWaalsContact OE1-OH 3.09Å
192	I	86.6	Confident	83.6	Confident	9 Å²	9	65.2 Å²	65.2	5%	0.046	36%	0.355	C	S	.	.			trans	-118.2	142.4	-179.8	53.7	175.7	0	0	0	111.3	L164 R165 L169 D190 K204 I205	L164-I192 HydrophobicContact CB-CD1 4.39Å; L164-I192 HydrophobicContact CB-CG2 4.08Å; L164-I192 HydrophobicContact CD1-CD1 4.32Å; R165-I192 HydrophobicContact CG-CG2 4.17Å; L169-I192 HydrophobicContact CD1-CB 4.13Å; L169-I192 HydrophobicContact CD1-CD1 4.31Å; D190-I192 PolarHBondContact O-N 3.22Å; D190-I192 VanDerWaalsContact O-N 3.09Å; I192-K204 WeakPolarHBondContact O-CA 3.48Å; I192-I205 HydrophobicContact CB-CD1 4.25Å; I192-I205 HydrophobicContact CD1-CB 4.16Å; I192-I205 HydrophobicContact CD1-CD1 3.72Å; I192-I205 HydrophobicContact CD1-CG1 4.43Å; I192-I205 HydrophobicContact CD1-CG2 4.38Å; I192-I205 HydrophobicContact CG1-CB 3.98Å; I192-I205 HydrophobicContact CG1-CD1 3.86Å; I192-I205 HydrophobicContact CG1-CG1 4.22Å; I192-I205 PolarHBondContact O-N 2.91Å
193	Y	88.6	Confident	84	Confident	111 Å²	111	68.9 Å²	68.9	44%	0.435	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-125.8	147.8	-171.8	-59.5	-91.7	0	0	0	110.7	Q191 K203 K204	Q191-Y193 HydrophobicContact CB-CE2 4.12Å; Q191-Y193 PolarHBondContact OE1-OH 3.29Å; Q191-Y193 VanDerWaalsContact OE1-OH 3.09Å; Y193-K203 WeakPolarHBondContact CA-O 3.41Å; Y193-K204 HydrophobicContact CD1-CB 4.29Å; Y193-K204 HydrophobicContact CD1-CG 4.45Å; Y193-K204 HydrophobicContact CE1-CB 4.2Å; Y193-K204 HydrophobicContact CE1-CG 4.16Å
194	C	89.4	Confident	84.4	Confident	5 Å²	5	67 Å²	67	3%	0.034	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	135	174.6	-61.2	0	0	0	0	111.2	C171 H200 G202 K203 L208	C171-C194 HydrophobicContact CB-CB 3.77Å; C171-C194 WeakPolarHBondContact CB-SG 3.37Å; C171-C194 VanDerWaalsContact SG-CA 3.57Å; C171-C194 WeakPolarHBondContact SG-CB 3.48Å; C171-C194 CovalentContact SG-SG 2.02Å; C171-C194 PolarHBondContact SG-SG 2.97Å; C194-H200 HydrophobicContact CB-CB 4.18Å; C194-H200 WeakPolarHBondContact CB-O 3.29Å; C194-G202 PolarHBondContact O-N 3.19Å; C194-K203 PolarHBondContact N-O 3.5Å; C194-L208 VanDerWaalsContact SG-CD1 3.59Å
195	S	88.8	Confident	84.7	Confident	46 Å²	46	59.1 Å²	59.1	32%	0.322	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-18.2	171.8	-61.3	0	0	0	0	113.4	N168 L169 Q201	N168-S195 WeakPolarHBondContact OD1-CB 3.38Å; N168-S195 PolarHBondContact OD1-OG 2.84Å; L169-S195 PolarHBondContact O-N 2.88Å; S195-Q201 WeakPolarHBondContact O-CG 3.42Å
196	G	82.5	Confident	85.1	Confident	6 Å²	6	60.1 Å²	60.1	6%	0.062	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.1	178.5	178.8	0	0	0	0	0	110.3	I170 C171	I170-G196 CarbonylContact C-O 3.59Å; C171-G196 PolarHBondContact N-O 2.79Å
197	P	83.9	Confident	85.4	Confident	46 Å²	46	57.6 Å²	57.6	30%	0.299	32%	0.316	S	S	.	.	S	Bend	cis	-64.7	173.7	-10.3	28.2	-33.7	0	0	0	112.1	C171 I199 H200 Q201	C171-P197 VanDerWaalsContact O-CD 3.24Å; C171-P197 WeakPolarHBondContact O-CD 3.45Å; P197-I199 HydrophobicContact CG-CG2 4.01Å; P197-I199 PolarHBondContact O-N 3.5Å; P197-H200 CarbonylContact O-C 3.47Å; P197-H200 PolarHBondContact O-N 2.99Å; P197-Q201 PolarHBondContact O-N 2.82Å
198	P	80.6	Confident	85.9	Confident	107 Å²	107	57.3 Å²	57.3	70%	0.695	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-28.2	-173.5	-30.9	36.3	0	0	0	115.9	H200	P198-H200 VanDerWaalsContact C-N 3.33Å
199	I	81.6	Confident	86.3	Confident	87 Å²	87	58.6 Å²	58.6	45%	0.446	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-24.2	176.6	-171.1	167.2	0	0	0	113.8	P197 K203	P197-I199 HydrophobicContact CG-CG2 4.01Å; P197-I199 PolarHBondContact O-N 3.5Å; I199-K203 VanDerWaalsContact O-CE 3.25Å; I199-K203 WeakPolarHBondContact O-CE 2.98Å; I199-K203 PolarHBondContact O-NZ 2.87Å
200	H	87.6	Confident	86.6	Confident	12 Å²	12	57.6 Å²	57.6	6%	0.056	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-12.3	178.4	-66.3	-63.2	0	0	0	113.3	C171 C194 P197 P198 G202 K203 L208	C171-H200 HydrophobicContact CB-CB 3.87Å; C171-H200 PolarHBondContact O-CD2 2.87Å; C194-H200 HydrophobicContact CB-CB 4.18Å; C194-H200 WeakPolarHBondContact CB-O 3.29Å; P197-H200 CarbonylContact O-C 3.47Å; P197-H200 PolarHBondContact O-N 2.99Å; P198-H200 VanDerWaalsContact C-N 3.33Å; H200-G202 PolarHBondContact O-N 2.8Å; H200-K203 VanDerWaalsContact O-CB 3.25Å; H200-K203 WeakPolarHBondContact O-CB 3.32Å; H200-K203 WeakPolarHBondContact O-CG 3.37Å; H200-K203 PolarHBondContact O-N 3.44Å; H200-L208 WeakPolarHBondContact ND1-CD2 3.13Å
201	Q	89.8	Confident	86.6	Confident	126 Å²	126	64.9 Å²	64.9	59%	0.589	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	128.4	-179.2	-174.5	171	2.3	0	0	112.1	S195 P197 K203	S195-Q201 WeakPolarHBondContact O-CG 3.42Å; P197-Q201 PolarHBondContact O-N 2.82Å; Q201-K203 PolarHBondContact O-N 3.21Å
202	G	90.3	Very high	86.5	Confident	54 Å²	54	62 Å²	62	56%	0.557	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	-7.9	-177.7	0	0	0	0	0	115.3	C194 H200	C194-G202 PolarHBondContact O-N 3.19Å; H200-G202 PolarHBondContact O-N 2.8Å
203	K	91.1	Very high	86.3	Confident	98 Å²	98	62.3 Å²	62.3	43%	0.426	34%	0.337	S	S	.	.			trans	-74.1	144.6	175.8	-64.4	-173.2	179.2	162.4	0	110.8	Y193 C194 I199 H200 Q201 L208	Y193-K203 WeakPolarHBondContact CA-O 3.41Å; C194-K203 PolarHBondContact N-O 3.5Å; I199-K203 VanDerWaalsContact O-CE 3.25Å; I199-K203 WeakPolarHBondContact O-CE 2.98Å; I199-K203 PolarHBondContact O-NZ 2.87Å; H200-K203 VanDerWaalsContact O-CB 3.25Å; H200-K203 WeakPolarHBondContact O-CB 3.32Å; H200-K203 WeakPolarHBondContact O-CG 3.37Å; H200-K203 PolarHBondContact O-N 3.44Å; Q201-K203 PolarHBondContact O-N 3.21Å; K203-L208 HydrophobicContact CB-CD2 4.07Å; K203-L208 HydrophobicContact CD-CD2 3.86Å
204	K	90.7	Very high	85.7	Confident	48 Å²	48	62.7 Å²	62.7	21%	0.209	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-75	135.2	172.1	-155.5	177.2	-174.8	175.8	0	109	I192 Y193 N206 D207	I192-K204 WeakPolarHBondContact O-CA 3.48Å; Y193-K204 HydrophobicContact CD1-CB 4.29Å; Y193-K204 HydrophobicContact CD1-CG 4.45Å; Y193-K204 HydrophobicContact CE1-CB 4.2Å; Y193-K204 HydrophobicContact CE1-CG 4.16Å; K204-N206 VanDerWaalsContact C-N 3.28Å; K204-N206 PolarHBondContact O-N 2.58Å; K204-D207 HydrophobicContact CB-CB 4.47Å; K204-D207 WeakPolarHBondContact CB-OD2 3.12Å; K204-D207 PolarHBondContact O-N 3.08Å; K204-D207 VanDerWaalsContact O-N 3.09Å
205	I	88.5	Confident	85.2	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-64.1	-35.9	-174.8	-67.4	176.9	0	0	0	111.6	L169 L175 L178 V179 I182 I192 D207 L208	L169-I205 HydrophobicContact CB-CD1 4.18Å; L169-I205 HydrophobicContact CD1-CD1 3.27Å; L169-I205 HydrophobicContact CG-CD1 4.32Å; L175-I205 HydrophobicContact CD2-CD1 4.15Å; L178-I205 HydrophobicContact CD2-CD1 4.46Å; L178-I205 HydrophobicContact CD2-CG2 4.5Å; V179-I205 HydrophobicContact CG2-CG2 3.91Å; I182-I205 HydrophobicContact CD1-CG2 3.52Å; I192-I205 HydrophobicContact CB-CD1 4.25Å; I192-I205 HydrophobicContact CD1-CB 4.16Å; I192-I205 HydrophobicContact CD1-CD1 3.72Å; I192-I205 HydrophobicContact CD1-CG1 4.43Å; I192-I205 HydrophobicContact CD1-CG2 4.38Å; I192-I205 HydrophobicContact CG1-CB 3.98Å; I192-I205 HydrophobicContact CG1-CD1 3.86Å; I192-I205 HydrophobicContact CG1-CG1 4.22Å; I192-I205 PolarHBondContact O-N 2.91Å; I205-D207 PolarHBondContact O-N 2.8Å; I205-L208 WeakPolarHBondContact O-CB 3.08Å; I205-L208 PolarHBondContact O-N 2.84Å
206	N	86.3	Confident	84.9	Confident	53 Å²	53	64.1 Å²	64.1	28%	0.283	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-63.1	-21.7	177.7	-63.6	1.4	0	0	0	113.3	K204 L208	K204-N206 VanDerWaalsContact C-N 3.28Å; K204-N206 PolarHBondContact O-N 2.58Å; N206-L208 VanDerWaalsContact C-N 3.33Å
207	D	88.8	Confident	85.1	Confident	120 Å²	120	66 Å²	66	64%	0.642	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-90.6	-4.4	180	-54.9	-18.6	0	0	0	111.4	K204 I205	K204-D207 HydrophobicContact CB-CB 4.47Å; K204-D207 WeakPolarHBondContact CB-OD2 3.12Å; K204-D207 PolarHBondContact O-N 3.08Å; K204-D207 VanDerWaalsContact O-N 3.09Å; I205-D207 PolarHBondContact O-N 2.8Å
208	L	89.1	Confident	85.4	Confident	6 Å²	6	64.1 Å²	64.1	3%	0.031	35%	0.349	C	S	.	.			trans	-83	145.3	176.1	-59.4	-175.8	0	0	0	110.8	C171 V179 H183 C194 H200 K203 I205 N206 F213	C171-L208 HydrophobicContact CB-CD1 4.08Å; V179-L208 HydrophobicContact CG1-CB 4.09Å; V179-L208 VanDerWaalsContact CG1-O 3.27Å; V179-L208 WeakPolarHBondContact CG1-O 3.18Å; V179-L208 HydrophobicContact CG2-CB 4.15Å; V179-L208 HydrophobicContact CG2-CD1 4.37Å; H183-L208 PolarHBondContact NE2-O 3.48Å; C194-L208 VanDerWaalsContact SG-CD1 3.59Å; H200-L208 WeakPolarHBondContact ND1-CD2 3.13Å; K203-L208 HydrophobicContact CB-CD2 4.07Å; K203-L208 HydrophobicContact CD-CD2 3.86Å; I205-L208 WeakPolarHBondContact O-CB 3.08Å; I205-L208 PolarHBondContact O-N 2.84Å; N206-L208 VanDerWaalsContact C-N 3.33Å; L208-F213 HydrophobicContact CB-CE2 4.26Å; L208-F213 HydrophobicContact CD1-CE2 4.33Å; L208-F213 HydrophobicContact CD1-CZ 3.86Å
209	L	87.9	Confident	86.1	Confident	108 Å²	108	62.7 Å²	62.7	57%	0.565	33%	0.332	S	S	*	.			trans	-104.6	141.7	174	-64.1	173.3	0	0	0	109.3	H211 S212 F213	L209-H211 PolarHBondContact O-N 2.9Å; L209-H211 VanDerWaalsContact O-N 3.14Å; L209-S212 VanDerWaalsContact O-CB 3.3Å; L209-S212 WeakPolarHBondContact O-CB 3.46Å; L209-S212 PolarHBondContact O-N 2.76Å; L209-S212 PolarHBondContact O-OG 3.13Å; L209-F213 WeakPolarHBondContact O-CD2 3.45Å
210	P	83.5	Confident	86.8	Confident	20 Å²	20	58.7 Å²	58.7	13%	0.13	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-54.2	-35.8	176.7	-28.6	36.4	0	0	0	113.1	V179 E180 S212 F213	V179-P210 HydrophobicContact CG1-CG 4.1Å; E180-P210 HydrophobicContact CG-CB 3.65Å; E180-P210 HydrophobicContact CG-CG 3.74Å; P210-S212 PolarHBondContact O-N 2.78Å; P210-F213 PolarHBondContact O-N 2.94Å
211	H	80.4	Confident	87.3	Confident	184 Å²	184	59.2 Å²	59.2	85%	0.852	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-75.8	-6	179	-56.7	-6	0	0	0	113.8	L209 F213	L209-H211 PolarHBondContact O-N 2.9Å; L209-H211 VanDerWaalsContact O-N 3.14Å; H211-F213 VanDerWaalsContact C-N 3.27Å
212	S	81.4	Confident	87.7	Confident	55 Å²	55	57.5 Å²	57.5	39%	0.385	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-80.8	-9.6	174.2	72.2	0	0	0	0	113.3	L209 P210	L209-S212 VanDerWaalsContact O-CB 3.3Å; L209-S212 WeakPolarHBondContact O-CB 3.46Å; L209-S212 PolarHBondContact O-N 2.76Å; L209-S212 PolarHBondContact O-OG 3.13Å; P210-S212 PolarHBondContact O-N 2.78Å
213	F	81.8	Confident	88	Confident	16 Å²	16	58.1 Å²	58.1	7%	0.07	31%	0.307	C	S	.	.	S	Bend	trans	-90.3	118.2	175.1	-65.2	-100.2	0	0	0	109.7	C171 D172 K176 V179 L208 L209 P210 H211 C215	C171-F213 HydrophobicContact CB-CE1 4.34Å; C171-F213 WeakPolarHBondContact O-CE1 3.15Å; D172-F213 WeakPolarHBondContact O-CD1 3.48Å; D172-F213 WeakPolarHBondContact O-CE1 3.28Å; K176-F213 HydrophobicContact CB-CB 4.43Å; K176-F213 HydrophobicContact CB-CD1 4.31Å; K176-F213 HydrophobicContact CB-CG 4.19Å; K176-F213 HydrophobicContact CD-CB 4.29Å; K176-F213 HydrophobicContact CG-CB 4.26Å; K176-F213 HydrophobicContact CG-CD2 4.34Å; K176-F213 HydrophobicContact CG-CG 4.26Å; V179-F213 HydrophobicContact CB-CE2 4.03Å; V179-F213 HydrophobicContact CB-CZ 4.4Å; V179-F213 HydrophobicContact CG1-CE2 4.15Å; V179-F213 HydrophobicContact CG2-CE2 3.69Å; V179-F213 HydrophobicContact CG2-CZ 3.62Å; L208-F213 HydrophobicContact CB-CE2 4.26Å; L208-F213 HydrophobicContact CD1-CE2 4.33Å; L208-F213 HydrophobicContact CD1-CZ 3.86Å; L209-F213 WeakPolarHBondContact O-CD2 3.45Å; P210-F213 PolarHBondContact O-N 2.94Å; H211-F213 VanDerWaalsContact C-N 3.27Å; F213-C215 PolarHBondContact O-N 3.38Å
214	D	75	Confident	88.2	Confident	119 Å²	119	55.7 Å²	55.7	64%	0.636	30%	0.296	S	S	*	.			trans	-89.1	96	173.5	-165.7	0.5	0	0	0	109.3	C173	C173-D214 PolarHBondContact SG-O 2.85Å; C173-D214 VanDerWaalsContact SG-O 3.35Å
215	C	80.4	Confident	88.4	Confident	6 Å²	6	57.5 Å²	57.5	4%	0.041	31%	0.308	C	S	.	.			trans	-102.6	-0.1	-173.8	-56.8	0	0	0	0	114.5	C173 F213 T217 L543	C173-C215 WeakPolarHBondContact CA-SG 3.33Å; C173-C215 HydrophobicContact CB-CB 3.75Å; C173-C215 WeakPolarHBondContact CB-SG 3.23Å; C173-C215 WeakPolarHBondContact SG-CA 3.45Å; C173-C215 WeakPolarHBondContact SG-CB 3.36Å; C173-C215 CovalentContact SG-SG 2.04Å; C173-C215 PolarHBondContact SG-SG 2.8Å; F213-C215 PolarHBondContact O-N 3.38Å; C215-T217 PolarHBondContact O-N 3.01Å; C215-L543 HydrophobicContact CB-CB 4.31Å; C215-L543 WeakPolarHBondContact O-CB 3.46Å; C215-L543 PolarHBondContact O-N 2.97Å
216	I	81.8	Confident	88.7	Confident	75 Å²	75	58.1 Å²	58.1	39%	0.385	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	106.3	173.9	-57.5	176.6	0	0	0	106.9	M540 I541	I216-M540 HydrophobicContact CG2-CB 4.36Å; I216-I541 WeakPolarHBondContact CA-O 3.27Å
217	T	85.6	Confident	89.1	Confident	46 Å²	46	66.4 Å²	66.4	28%	0.282	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	176.5	167.3	-165.8	0	0	0	0	110	C215 M540 I541 L543	C215-T217 PolarHBondContact O-N 3.01Å; T217-M540 WeakPolarHBondContact O-CA 3.44Å; T217-I541 HydrophobicContact CG2-CB 3.79Å; T217-I541 HydrophobicContact CG2-CG2 4.24Å; T217-I541 PolarHBondContact N-O 2.89Å; T217-I541 PolarHBondContact O-N 3.2Å; T217-L543 HydrophobicContact CG2-CD1 3.84Å; T217-L543 HydrophobicContact CG2-CD2 4.01Å; T217-L543 HydrophobicContact CG2-CG 3.86Å
218	T	91.4	Very high	89.4	Confident	7 Å²	7	62.3 Å²	62.3	4%	0.043	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	149.5	179.1	57.5	0	0	0	0	110.5	W475 Y477 H538 L539 M540	T218-W475 HydrophobicContact CG2-CD2 4.29Å; T218-W475 HydrophobicContact CG2-CG 4.4Å; T218-W475 HydrophobicContact CG2-CZ2 4Å; T218-Y477 VanDerWaalsContact CB-OH 3.32Å; T218-Y477 WeakPolarHBondContact CB-OH 3.36Å; T218-Y477 PolarHBondContact OG1-OH 2.8Å; T218-H538 WeakPolarHBondContact CB-NE2 3.01Å; T218-L539 CarbonylContact C-O 3.52Å; T218-L539 WeakPolarHBondContact CA-O 3.18Å; T218-M540 HydrophobicContact CG2-CG 4.32Å
219	E	94.5	Very high	89.8	Confident	76 Å²	76	65.8 Å²	65.8	36%	0.355	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	155.8	170.4	68.8	176	-166.3	0	0	111.6	A221 H538 L539 I541	E219-A221 HydrophobicContact CG-CB 4.45Å; E219-H538 WeakPolarHBondContact O-CA 3.03Å; E219-L539 HydrophobicContact CG-CB 4.22Å; E219-L539 PolarHBondContact N-O 3.02Å; E219-L539 PolarHBondContact O-N 2.83Å; E219-I541 HydrophobicContact CB-CD1 4.23Å; E219-I541 HydrophobicContact CG-CD1 3.57Å; E219-I541 HydrophobicContact CG-CG1 4.44Å
220	F	97.9	Very high	90.3	Very high	3 Å²	3	60.6 Å²	60.6	1%	0.013	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	92.5	164.7	-66.7	-76.1	0	0	0	108.6	V472 Y477 V489 Q503 L505 L524 Y536 E537 H538	F220-V472 HydrophobicContact CE1-CG2 4.46Å; F220-V472 HydrophobicContact CZ-CG2 4.41Å; F220-Y477 HydrophobicContact CE2-CD1 4.15Å; F220-Y477 HydrophobicContact CE2-CD2 4.24Å; F220-Y477 HydrophobicContact CE2-CE1 4.25Å; F220-Y477 HydrophobicContact CE2-CE2 4.33Å; F220-Y477 HydrophobicContact CE2-CG 4.15Å; F220-Y477 HydrophobicContact CZ-CD2 4.01Å; F220-Y477 HydrophobicContact CZ-CE2 4.08Å; F220-Y477 HydrophobicContact CZ-CG 4.34Å; F220-V489 HydrophobicContact CD2-CG1 4.14Å; F220-V489 HydrophobicContact CE2-CG1 3.95Å; F220-Q503 PolarHBondContact O-NE2 3.09Å; F220-L505 HydrophobicContact CB-CD2 4.41Å; F220-L524 HydrophobicContact CB-CD2 4.42Å; F220-L524 HydrophobicContact CD1-CB 3.63Å; F220-L524 HydrophobicContact CD1-CD2 3.8Å; F220-L524 HydrophobicContact CD1-CG 4.35Å; F220-L524 HydrophobicContact CD2-CD2 4.33Å; F220-L524 HydrophobicContact CE1-CB 3.76Å; F220-L524 HydrophobicContact CE1-CD2 4.08Å; F220-L524 HydrophobicContact CE1-CG 4.43Å; F220-L524 HydrophobicContact CG-CD2 3.93Å; F220-L524 HydrophobicContact CZ-CD2 4.46Å; F220-Y536 HydrophobicContact CB-CG 4.33Å; F220-Y536 WeakPolarHBondContact O-CD1 3.44Å; F220-E537 CarbonylContact C-O 3.52Å; F220-E537 WeakPolarHBondContact CA-O 3.45Å; F220-H538 HydrophobicContact CD1-CB 4.13Å; F220-H538 HydrophobicContact CE1-CB 3.99Å; F220-H538 AromaticContact CE1-CD2 3.64Å; F220-H538 AromaticContact CZ-CD2 3.77Å
221	A	97.6	Very high	91	Very high	23 Å²	23	61.6 Å²	61.6	19%	0.19	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	138.1	178.7	0	0	0	0	0	110.7	E219 Y223 Y536 E537 L539	E219-A221 HydrophobicContact CG-CB 4.45Å; A221-Y223 PolarHBondContact O-N 2.87Å; A221-Y536 CarbonylContact O-C 3.6Å; A221-Y536 WeakPolarHBondContact O-CA 3.11Å; A221-Y536 WeakPolarHBondContact O-CB 3.32Å; A221-E537 PolarHBondContact N-O 2.77Å; A221-E537 PolarHBondContact O-N 3.11Å; A221-L539 HydrophobicContact CB-CD1 3.58Å; A221-L539 HydrophobicContact CB-CG 4.16Å
222	S	96.9	Very high	91.8	Very high	91 Å²	91	53.6 Å²	53.6	64%	0.636	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.6	122.1	177.5	173.9	0	0	0	0	110.4
223	Y	96.9	Very high	92.6	Very high	67 Å²	67	51.4 Å²	51.4	26%	0.263	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-59.9	-176.6	-172.3	-108.9	0	0	0	112.6	A221 W259 M264 R521 F523 I535 E537	A221-Y223 PolarHBondContact O-N 2.87Å; Y223-W259 HydrophobicContact CE1-CZ3 4.4Å; Y223-M264 PolarHBondContact OH-O 2.85Å; Y223-R521 PolarHBondContact OH-NH1 3.24Å; Y223-R521 VanDerWaalsContact OH-NH1 3.09Å; Y223-R521 PolarHBondContact OH-NH2 3.28Å; Y223-F523 HydrophobicContact CD1-CD1 4.01Å; Y223-F523 AromaticContact CD1-CE1 3.63Å; Y223-F523 HydrophobicContact CD1-CE1 3.63Å; Y223-F523 HydrophobicContact CD2-CE1 4.04Å; Y223-F523 HydrophobicContact CE1-CD1 4.45Å; Y223-F523 AromaticContact CE1-CE1 3.7Å; Y223-F523 HydrophobicContact CE1-CE1 3.7Å; Y223-F523 HydrophobicContact CE1-CZ 4.25Å; Y223-F523 HydrophobicContact CE2-CE1 4.14Å; Y223-F523 HydrophobicContact CG-CD1 4.16Å; Y223-F523 AromaticContact CG-CE1 3.79Å; Y223-F523 HydrophobicContact CG-CE1 3.79Å; Y223-F523 AromaticContact CZ-CE1 3.93Å; Y223-I535 WeakPolarHBondContact CA-O 3.18Å; Y223-I535 WeakPolarHBondContact CB-O 3.42Å; Y223-I535 HydrophobicContact CD1-CG2 4.32Å; Y223-I535 PolarHBondContact N-O 2.97Å; Y223-E537 HydrophobicContact CD2-CB 4.14Å; Y223-E537 HydrophobicContact CG-CB 4.37Å
224	Q	94.9	Very high	93.4	Very high	46 Å²	46	52.6 Å²	52.6	22%	0.215	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	138.1	-174.3	-171.6	-179.6	-4.7	0	0	110.9	L226 I535	Q224-L226 HydrophobicContact CG-CD2 3.95Å; Q224-I535 HydrophobicContact CB-CB 4.13Å; Q224-I535 HydrophobicContact CB-CD1 4.3Å; Q224-I535 HydrophobicContact CB-CG1 4.36Å; Q224-I535 PolarHBondContact N-O 2.75Å; Q224-I535 PolarHBondContact O-N 3.22Å
225	L	95.8	Very high	94.4	Very high	87 Å²	87	48.8 Å²	48.8	46%	0.455	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	112.9	175.1	-172.2	67.8	0	0	0	109.8	K532 Q534	L225-K532 HydrophobicContact CD1-CB 3.5Å; L225-K532 HydrophobicContact CD1-CD 4.16Å; L225-K532 HydrophobicContact CD1-CG 4.49Å; L225-K532 HydrophobicContact CD2-CB 4.49Å; L225-K532 HydrophobicContact CD2-CD 3.57Å; L225-K532 HydrophobicContact CG-CB 3.93Å; L225-K532 HydrophobicContact CG-CD 3.8Å; L225-K532 HydrophobicContact CG-CG 4.49Å; L225-Q534 HydrophobicContact CD1-CG 3.48Å; L225-Q534 VanDerWaalsContact CD1-CG 3.48Å
226	L	95.5	Very high	95.2	Very high	12 Å²	12	49.3 Å²	49.3	6%	0.063	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	129.7	179.7	-52.8	-178.1	0	0	0	109.8	Q224 F228 F246 L257 K532 T533 I535	Q224-L226 HydrophobicContact CG-CD2 3.95Å; L226-F228 HydrophobicContact CB-CD1 4.13Å; L226-F228 HydrophobicContact CB-CE1 3.73Å; L226-F228 HydrophobicContact CB-CE2 4.25Å; L226-F228 HydrophobicContact CB-CZ 3.81Å; L226-F228 HydrophobicContact CD1-CE1 4.05Å; L226-F228 HydrophobicContact CD1-CE2 4.15Å; L226-F228 HydrophobicContact CD1-CZ 3.48Å; L226-F228 VanDerWaalsContact CD1-CZ 3.48Å; L226-F228 HydrophobicContact CG-CE1 4.4Å; L226-F228 HydrophobicContact CG-CZ 4.24Å; L226-F228 PolarHBondContact O-N 2.71Å; L226-F246 HydrophobicContact CD1-CE2 3.85Å; L226-F246 HydrophobicContact CD1-CZ 4.05Å; L226-L257 HydrophobicContact CD1-CD1 4Å; L226-K532 WeakPolarHBondContact O-CB 3.48Å; L226-T533 HydrophobicContact CB-CG2 4.42Å; L226-T533 HydrophobicContact CD1-CG2 3.88Å; L226-T533 PolarHBondContact N-O 2.04Å; L226-T533 PolarHBondContact O-N 2.81Å; L226-I535 HydrophobicContact CD1-CD1 4.07Å; L226-I535 HydrophobicContact CD1-CG1 4.15Å; L226-I535 HydrophobicContact CD2-CD1 4.17Å; L226-I535 HydrophobicContact CG-CD1 4.27Å; L226-I535 HydrophobicContact CG-CG1 4.23Å
227	R	93.9	Very high	95.9	Very high	228 Å²	228	49.1 Å²	49.1	86%	0.86	25%	0.248	S	C	*	.	S	Bend	trans	-81.6	42.6	-171.7	-60.4	-176.3	-178.4	178.4	1.4	113.2
228	F	95.4	Very high	96.4	Very high	33 Å²	33	48.2 Å²	48.2	15%	0.145	24%	0.24	C	C	.	.	S	Bend	trans	-150.1	154.5	177.5	57.2	-108.5	0	0	0	111.4	L226 F246 Q248 T533	L226-F228 HydrophobicContact CB-CD1 4.13Å; L226-F228 HydrophobicContact CB-CE1 3.73Å; L226-F228 HydrophobicContact CB-CE2 4.25Å; L226-F228 HydrophobicContact CB-CZ 3.81Å; L226-F228 HydrophobicContact CD1-CE1 4.05Å; L226-F228 HydrophobicContact CD1-CE2 4.15Å; L226-F228 HydrophobicContact CD1-CZ 3.48Å; L226-F228 VanDerWaalsContact CD1-CZ 3.48Å; L226-F228 HydrophobicContact CG-CE1 4.4Å; L226-F228 HydrophobicContact CG-CZ 4.24Å; L226-F228 PolarHBondContact O-N 2.71Å; F228-F246 HydrophobicContact CE2-CB 4.11Å; F228-F246 HydrophobicContact CE2-CD1 4.36Å; F228-F246 HydrophobicContact CE2-CD2 4.17Å; F228-F246 AromaticContact CE2-CG 3.96Å; F228-F246 HydrophobicContact CE2-CG 3.96Å; F228-F246 HydrophobicContact CZ-CD2 4.01Å; F228-F246 HydrophobicContact CZ-CE2 4.45Å; F228-F246 HydrophobicContact CZ-CG 4.27Å; F228-Q248 VanDerWaalsContact CD1-NE2 3.26Å; F228-Q248 HydrophobicContact CD2-CG 4.16Å; F228-Q248 HydrophobicContact CE2-CG 4.46Å; F228-T533 HydrophobicContact CE2-CG2 4.04Å; F228-T533 WeakPolarHBondContact O-CB 3.2Å; F228-T533 PolarHBondContact O-N 2.77Å; F228-T533 PolarHBondContact O-OG1 3.46Å
229	E	97.2	Very high	96.3	Very high	79 Å²	79	50 Å²	50	37%	0.369	26%	0.26	S	S	.	.			trans	-80.2	151.3	168.4	-56.2	76.2	-172.9	0	0	110.5	F250 S528	E229-F250 HydrophobicContact CB-CD2 3.98Å; E229-F250 HydrophobicContact CB-CE2 4.4Å; E229-F250 HydrophobicContact CG-CD2 4.27Å; E229-S528 CarbonylContact C-O 3.45Å; E229-S528 VanDerWaalsContact CA-O 3.31Å; E229-S528 WeakPolarHBondContact CA-O 3.15Å
230	S	97.9	Very high	96.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.283	C	S	.	.			trans	-148.8	152.3	174.6	57.7	0	0	0	0	111.4	A247 S527 S528 F529 T533	S230-A247 CarbonylContact C-O 3.55Å; S230-A247 VanDerWaalsContact CA-O 3.27Å; S230-A247 WeakPolarHBondContact CA-O 3.13Å; S230-A247 WeakPolarHBondContact CB-O 3.35Å; S230-S527 VanDerWaalsContact OG-CA 3.26Å; S230-S527 WeakPolarHBondContact OG-CA 3.45Å; S230-S527 WeakPolarHBondContact OG-CB 3.07Å; S230-S528 PolarHBondContact N-O 3.25Å; S230-S528 CarbonylContact O-C 3.49Å; S230-S528 PolarHBondContact O-N 3.01Å; S230-F529 PolarHBondContact O-N 2.78Å; S230-T533 PolarHBondContact OG-OG1 3.13Å
231	I	97.8	Very high	95.9	Very high	40 Å²	40	57.8 Å²	57.8	21%	0.205	30%	0.302	C	S	.	.	S	Bend	trans	-109.5	-25.8	-179.3	-165.2	171.4	0	0	0	112.7	A247 P249 V278 R511 F529	I231-A247 HydrophobicContact CG2-CB 3.87Å; I231-A247 PolarHBondContact N-O 3.42Å; I231-P249 HydrophobicContact CB-CG 4.08Å; I231-P249 HydrophobicContact CG2-CG 4.13Å; I231-V278 HydrophobicContact CD1-CG1 4.5Å; I231-V278 VanDerWaalsContact CG2-O 3.23Å; I231-V278 WeakPolarHBondContact CG2-O 3.36Å; I231-R511 HydrophobicContact CG1-CB 4.45Å; I231-R511 HydrophobicContact CG1-CG 4.27Å; I231-R511 WeakPolarHBondContact O-CB 3.21Å; I231-F529 HydrophobicContact CB-CD2 4.25Å; I231-F529 HydrophobicContact CD1-CD2 4.16Å; I231-F529 HydrophobicContact CD1-CE2 3.97Å; I231-F529 HydrophobicContact CG1-CD2 4.1Å; I231-F529 HydrophobicContact CG1-CE2 4.42Å
232	S	97.9	Very high	95.8	Very high	17 Å²	17	59.3 Å²	59.3	12%	0.119	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	155.7	172.8	54.8	0	0	0	0	110.2	F246 A247 V278	S232-F246 WeakPolarHBondContact O-CA 3.44Å; S232-A247 PolarHBondContact O-N 2.88Å; S232-A247 WeakPolarHBondContact OG-CB 3.38Å; S232-V278 PolarHBondContact OG-O 2.96Å
233	V	98.5	Very high	95.8	Very high	8 Å²	8	56 Å²	56	5%	0.048	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	132.1	176.6	58.2	0	0	0	0	108.5	V244 V245 F246 L525	V233-V244 HydrophobicContact CG2-CG1 3.78Å; V233-V245 WeakPolarHBondContact CA-O 3.45Å; V233-F246 HydrophobicContact CB-CD1 3.67Å; V233-F246 HydrophobicContact CB-CE1 3.49Å; V233-F246 VanDerWaalsContact CB-CE1 3.49Å; V233-F246 HydrophobicContact CB-CZ 4.3Å; V233-F246 HydrophobicContact CG1-CE1 4.42Å; V233-F246 HydrophobicContact CG2-CD1 3.75Å; V233-F246 HydrophobicContact CG2-CE1 3.29Å; V233-F246 HydrophobicContact CG2-CE2 4.25Å; V233-F246 HydrophobicContact CG2-CG 4.4Å; V233-F246 HydrophobicContact CG2-CZ 3.59Å; V233-L525 HydrophobicContact CG2-CB 3.81Å; V233-L525 HydrophobicContact CG2-CD1 4.07Å
234	E	97.9	Very high	95.9	Very high	42 Å²	42	52.8 Å²	52.8	20%	0.196	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	145.9	178.3	-66.1	-72.5	-176.8	0	0	109.2	V244 V245 K281 P282	E234-V244 CarbonylContact O-C 3.57Å; E234-V244 WeakPolarHBondContact O-CA 3.14Å; E234-V245 HydrophobicContact CB-CG1 3.72Å; E234-V245 PolarHBondContact N-O 2.88Å; E234-V245 PolarHBondContact O-N 3.35Å; E234-K281 HydrophobicContact CG-CD 4.15Å; E234-K281 VanDerWaalsContact OE1-CD 3.29Å; E234-K281 WeakPolarHBondContact OE1-CD 3.39Å; E234-K281 IonicContact OE1-NZ 3.84Å; E234-K281 PolarHBondContact OE1-NZ 3.37Å; E234-K281 IonicContact OE2-NZ 3.57Å; E234-P282 HydrophobicContact CB-CG 4.16Å
235	T	97.7	Very high	96	Very high	39 Å²	39	50.7 Å²	50.7	24%	0.239	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	138.1	176.9	51.6	0	0	0	0	108.9	Y243 V244 S514 V515 V516 L525	T235-Y243 WeakPolarHBondContact CA-O 3.46Å; T235-V244 HydrophobicContact CG2-CG2 4.3Å; T235-S514 VanDerWaalsContact CG2-OG 3.23Å; T235-S514 WeakPolarHBondContact CG2-OG 3.29Å; T235-S514 PolarHBondContact OG1-OG 2.7Å; T235-V515 PolarHBondContact OG1-O 2.73Å; T235-V516 HydrophobicContact CG2-CB 3.86Å; T235-L525 HydrophobicContact CG2-CD1 3.3Å
236	F	97	Very high	96.2	Very high	17 Å²	17	46.5 Å²	46.5	8%	0.075	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	152.6	179.3	67.5	-78.6	0	0	0	111.5	F238 Y243 V245 F256 P282 L289	F236-F238 HydrophobicContact CD2-CB 4.03Å; F236-F238 HydrophobicContact CE2-CB 3.86Å; F236-Y243 HydrophobicContact CD2-CD2 4.47Å; F236-Y243 VanDerWaalsContact CE1-CB 3.41Å; F236-Y243 HydrophobicContact CE1-CG 4.46Å; F236-Y243 AromaticContact CE2-CD2 3.91Å; F236-Y243 HydrophobicContact CE2-CD2 3.91Å; F236-Y243 HydrophobicContact CE2-CG 4.08Å; F236-Y243 HydrophobicContact CZ-CD2 4.22Å; F236-Y243 AromaticContact CZ-CG 3.9Å; F236-Y243 HydrophobicContact CZ-CG 3.9Å; F236-Y243 PolarHBondContact N-O 2.58Å; F236-Y243 PolarHBondContact O-N 2.8Å; F236-V245 HydrophobicContact CE1-CB 4.46Å; F236-V245 HydrophobicContact CE1-CG1 4.41Å; F236-F256 AromaticContact CE1-CD1 4Å; F236-F256 HydrophobicContact CE1-CD1 4Å; F236-F256 HydrophobicContact CE1-CE1 4.17Å; F236-F256 AromaticContact CZ-CD1 3.99Å; F236-F256 HydrophobicContact CZ-CD1 3.99Å; F236-F256 HydrophobicContact CZ-CE1 4.19Å; F236-P282 HydrophobicContact CB-CB 3.91Å; F236-P282 HydrophobicContact CB-CG 3.66Å; F236-P282 HydrophobicContact CD1-CB 3.54Å; F236-P282 HydrophobicContact CD1-CG 3.5Å; F236-P282 VanDerWaalsContact CD1-CG 3.5Å; F236-P282 HydrophobicContact CD2-CB 4.05Å; F236-P282 HydrophobicContact CE1-CB 4Å; F236-P282 HydrophobicContact CE1-CG 4.29Å; F236-P282 HydrophobicContact CE2-CB 4.48Å; F236-P282 HydrophobicContact CG-CB 3.55Å; F236-P282 HydrophobicContact CG-CG 3.69Å; F236-P282 HydrophobicContact CZ-CB 4.44Å; F236-L289 HydrophobicContact CD2-CD1 3.92Å; F236-L289 HydrophobicContact CE2-CD1 3.59Å; F236-L289 HydrophobicContact CE2-CD2 3.65Å; F236-L289 HydrophobicContact CE2-CG 4.28Å; F236-L289 HydrophobicContact CZ-CD1 4.29Å; F236-L289 HydrophobicContact CZ-CD2 4Å
237	T	95.8	Very high	96.3	Very high	70 Å²	70	46 Å²	46	43%	0.429	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	131.1	172.5	-49	0	0	0	0	108.8	E241 Q242	T237-E241 WeakPolarHBondContact CA-O 3.46Å; T237-Q242 VanDerWaalsContact OG1-CD 3.25Å; T237-Q242 PolarHBondContact OG1-NE2 3.36Å; T237-Q242 PolarHBondContact OG1-OE1 2.92Å
238	F	94.9	Very high	96.4	Very high	28 Å²	28	35.7 Å²	35.7	12%	0.123	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	122.8	173.3	179.3	-116.3	0	0	0	109.7	F236 N240 E241 Y243 V284 N287 L289 R305	F236-F238 HydrophobicContact CD2-CB 4.03Å; F236-F238 HydrophobicContact CE2-CB 3.86Å; F238-N240 PolarHBondContact O-N 3.43Å; F238-E241 PolarHBondContact N-O 2.8Å; F238-E241 PolarHBondContact O-N 2.82Å; F238-Y243 HydrophobicContact CB-CD2 3.94Å; F238-Y243 HydrophobicContact CB-CE2 3.87Å; F238-Y243 HydrophobicContact CD1-CE2 4.35Å; F238-V284 HydrophobicContact CD2-CG1 4.24Å; F238-V284 HydrophobicContact CD2-CG2 4.09Å; F238-N287 WeakPolarHBondContact CE2-O 3.43Å; F238-L289 HydrophobicContact CD1-CB 4.42Å; F238-L289 HydrophobicContact CD1-CD2 4.28Å; F238-L289 HydrophobicContact CD2-CB 3.73Å; F238-L289 HydrophobicContact CE1-CB 4.31Å; F238-L289 HydrophobicContact CE2-CB 3.61Å; F238-L289 HydrophobicContact CG-CB 4.14Å; F238-L289 HydrophobicContact CG-CD2 4.33Å; F238-L289 HydrophobicContact CZ-CB 3.92Å; F238-R305 HydrophobicContact CE1-CG 4.45Å
239	G	91.1	Very high	96.3	Very high	45 Å²	45	35.2 Å²	35.2	46%	0.464	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	-124.9	-162	0	0	0	0	0	110.2
240	N	90.2	Very high	96	Very high	156 Å²	156	37.9 Å²	37.9	83%	0.834	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.1	6.7	177.1	-66.3	-19.7	0	0	0	113.1	F238	F238-N240 PolarHBondContact O-N 3.43Å
241	E	92.2	Very high	95.7	Very high	86 Å²	86	40.8 Å²	40.8	40%	0.402	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	151.4	-174.5	-61.7	-56.9	148.6	0	0	111.1	T237 F238 Y243 H261	T237-E241 WeakPolarHBondContact CA-O 3.46Å; F238-E241 PolarHBondContact N-O 2.8Å; F238-E241 PolarHBondContact O-N 2.82Å; E241-Y243 HydrophobicContact CB-CD2 4.41Å; E241-Y243 HydrophobicContact CB-CE2 3.59Å; E241-H261 IonicContact OE2-NE2 3.61Å
242	Q	95.5	Very high	95.6	Very high	54 Å²	54	39.3 Å²	39.3	25%	0.252	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	133.5	174	-61	-62.2	-24.4	0	0	110.3	T237 V516 V518	T237-Q242 VanDerWaalsContact OG1-CD 3.25Å; T237-Q242 PolarHBondContact OG1-NE2 3.36Å; T237-Q242 PolarHBondContact OG1-OE1 2.92Å; Q242-V516 HydrophobicContact CB-CG2 3.83Å; Q242-V516 HydrophobicContact CG-CG2 4.37Å; Q242-V518 HydrophobicContact CB-CG1 3.57Å; Q242-V518 HydrophobicContact CG-CG1 3.77Å
243	Y	97.5	Very high	95.5	Very high	22 Å²	22	39.1 Å²	39.1	9%	0.086	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	154.5	179.3	-62.8	-84.3	0	0	0	110.6	T235 F236 F238 E241 L257 E258 Y269	T235-Y243 WeakPolarHBondContact CA-O 3.46Å; F236-Y243 HydrophobicContact CD2-CD2 4.47Å; F236-Y243 VanDerWaalsContact CE1-CB 3.41Å; F236-Y243 HydrophobicContact CE1-CG 4.46Å; F236-Y243 AromaticContact CE2-CD2 3.91Å; F236-Y243 HydrophobicContact CE2-CD2 3.91Å; F236-Y243 HydrophobicContact CE2-CG 4.08Å; F236-Y243 HydrophobicContact CZ-CD2 4.22Å; F236-Y243 AromaticContact CZ-CG 3.9Å; F236-Y243 HydrophobicContact CZ-CG 3.9Å; F236-Y243 PolarHBondContact N-O 2.58Å; F236-Y243 PolarHBondContact O-N 2.8Å; F238-Y243 HydrophobicContact CB-CD2 3.94Å; F238-Y243 HydrophobicContact CB-CE2 3.87Å; F238-Y243 HydrophobicContact CD1-CE2 4.35Å; E241-Y243 HydrophobicContact CB-CD2 4.41Å; E241-Y243 HydrophobicContact CB-CE2 3.59Å; Y243-L257 WeakPolarHBondContact CA-O 3.37Å; Y243-E258 HydrophobicContact CD1-CB 3.87Å; Y243-E258 HydrophobicContact CE1-CB 3.78Å; Y243-Y269 HydrophobicContact CD1-CD1 4.18Å; Y243-Y269 HydrophobicContact CD1-CG 4.3Å; Y243-Y269 HydrophobicContact CE1-CD1 4.11Å; Y243-Y269 HydrophobicContact CE1-CD2 4.12Å; Y243-Y269 HydrophobicContact CE1-CE1 4.21Å; Y243-Y269 HydrophobicContact CE1-CE2 4.23Å; Y243-Y269 HydrophobicContact CE1-CG 4.04Å
244	V	98.4	Very high	95.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	141.1	174.4	-174.8	0	0	0	0	108.2	V233 E234 T235 F246 F256 L257 F266 V516 L525	V233-V244 HydrophobicContact CG2-CG1 3.78Å; E234-V244 CarbonylContact O-C 3.57Å; E234-V244 WeakPolarHBondContact O-CA 3.14Å; T235-V244 HydrophobicContact CG2-CG2 4.3Å; V244-F246 HydrophobicContact CG1-CD2 3.96Å; V244-F246 HydrophobicContact CG1-CE2 3.5Å; V244-F246 VanDerWaalsContact CG1-CE2 3.5Å; V244-F246 HydrophobicContact CG1-CZ 4.02Å; V244-F256 CarbonylContact O-C 3.59Å; V244-F256 VanDerWaalsContact O-CA 3.28Å; V244-F256 WeakPolarHBondContact O-CA 3.47Å; V244-L257 HydrophobicContact CB-CB 4.31Å; V244-L257 PolarHBondContact N-O 3.07Å; V244-L257 PolarHBondContact O-N 3.35Å; V244-F266 HydrophobicContact CG2-CD1 4.22Å; V244-F266 HydrophobicContact CG2-CE1 3.91Å; V244-V516 HydrophobicContact CG2-CG1 4.43Å; V244-L525 HydrophobicContact CB-CD1 4.37Å; V244-L525 HydrophobicContact CG1-CD1 3.67Å; V244-L525 HydrophobicContact CG1-CD2 4.1Å; V244-L525 HydrophobicContact CG1-CG 4.45Å; V244-L525 HydrophobicContact CG2-CD1 3.75Å; V244-L525 HydrophobicContact CG2-CD2 4.18Å
245	V	98.5	Very high	95.5	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	131.5	169.5	61.6	0	0	0	0	110.5	V233 E234 F236 C254 N255 F256 C280 P282	V233-V245 WeakPolarHBondContact CA-O 3.45Å; E234-V245 HydrophobicContact CB-CG1 3.72Å; E234-V245 PolarHBondContact N-O 2.88Å; E234-V245 PolarHBondContact O-N 3.35Å; F236-V245 HydrophobicContact CE1-CB 4.46Å; F236-V245 HydrophobicContact CE1-CG1 4.41Å; V245-C254 HydrophobicContact CG2-CB 4.08Å; V245-N255 WeakPolarHBondContact CA-O 3.45Å; V245-F256 HydrophobicContact CB-CD1 3.77Å; V245-F256 HydrophobicContact CB-CE1 3.71Å; V245-F256 HydrophobicContact CB-CG 4.37Å; V245-F256 HydrophobicContact CB-CZ 4.26Å; V245-F256 HydrophobicContact CG1-CE1 4.39Å; V245-F256 HydrophobicContact CG2-CD1 3.86Å; V245-F256 HydrophobicContact CG2-CD2 4.21Å; V245-F256 HydrophobicContact CG2-CE1 3.56Å; V245-F256 HydrophobicContact CG2-CE2 3.92Å; V245-F256 HydrophobicContact CG2-CG 4.16Å; V245-F256 HydrophobicContact CG2-CZ 3.58Å; V245-C280 HydrophobicContact CG1-CB 4.39Å; V245-C280 VanDerWaalsContact CG1-O 3.31Å; V245-C280 WeakPolarHBondContact CG1-O 3.29Å; V245-C280 HydrophobicContact CG2-CB 3.62Å; V245-P282 HydrophobicContact CG1-CG 4.27Å
246	F	98.4	Very high	95.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131	173	-71.7	-83.4	0	0	0	110.4	L226 F228 S232 V233 V244 Q248 C254 N255 L257 L525 T533	L226-F246 HydrophobicContact CD1-CE2 3.85Å; L226-F246 HydrophobicContact CD1-CZ 4.05Å; F228-F246 HydrophobicContact CE2-CB 4.11Å; F228-F246 HydrophobicContact CE2-CD1 4.36Å; F228-F246 HydrophobicContact CE2-CD2 4.17Å; F228-F246 AromaticContact CE2-CG 3.96Å; F228-F246 HydrophobicContact CE2-CG 3.96Å; F228-F246 HydrophobicContact CZ-CD2 4.01Å; F228-F246 HydrophobicContact CZ-CE2 4.45Å; F228-F246 HydrophobicContact CZ-CG 4.27Å; S232-F246 WeakPolarHBondContact O-CA 3.44Å; V233-F246 HydrophobicContact CB-CD1 3.67Å; V233-F246 HydrophobicContact CB-CE1 3.49Å; V233-F246 VanDerWaalsContact CB-CE1 3.49Å; V233-F246 HydrophobicContact CB-CZ 4.3Å; V233-F246 HydrophobicContact CG1-CE1 4.42Å; V233-F246 HydrophobicContact CG2-CD1 3.75Å; V233-F246 HydrophobicContact CG2-CE1 3.29Å; V233-F246 HydrophobicContact CG2-CE2 4.25Å; V233-F246 HydrophobicContact CG2-CG 4.4Å; V233-F246 HydrophobicContact CG2-CZ 3.59Å; V244-F246 HydrophobicContact CG1-CD2 3.96Å; V244-F246 HydrophobicContact CG1-CE2 3.5Å; V244-F246 VanDerWaalsContact CG1-CE2 3.5Å; V244-F246 HydrophobicContact CG1-CZ 4.02Å; F246-Q248 HydrophobicContact CB-CG 4.41Å; F246-C254 WeakPolarHBondContact O-CA 3.39Å; F246-N255 PolarHBondContact N-O 3.07Å; F246-N255 PolarHBondContact O-N 2.85Å; F246-L257 HydrophobicContact CD2-CD1 4.06Å; F246-L257 HydrophobicContact CD2-CG 4.43Å; F246-L257 HydrophobicContact CE2-CD1 3.75Å; F246-L525 HydrophobicContact CE2-CD2 4.49Å; F246-L525 HydrophobicContact CZ-CB 4.23Å; F246-L525 HydrophobicContact CZ-CD2 4.09Å; F246-T533 HydrophobicContact CD1-CG2 3.88Å; F246-T533 HydrophobicContact CE1-CG2 3.27Å; F246-T533 HydrophobicContact CE2-CG2 4.47Å; F246-T533 HydrophobicContact CZ-CG2 3.63Å
247	A	98.3	Very high	95.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	119.6	166.1	0	0	0	0	0	109.7	S230 I231 S232 P249 T277 C280	S230-A247 CarbonylContact C-O 3.55Å; S230-A247 VanDerWaalsContact CA-O 3.27Å; S230-A247 WeakPolarHBondContact CA-O 3.13Å; S230-A247 WeakPolarHBondContact CB-O 3.35Å; I231-A247 HydrophobicContact CG2-CB 3.87Å; I231-A247 PolarHBondContact N-O 3.42Å; S232-A247 PolarHBondContact O-N 2.88Å; S232-A247 WeakPolarHBondContact OG-CB 3.38Å; A247-P249 WeakPolarHBondContact O-CD 3.44Å; A247-T277 HydrophobicContact CB-CG2 3.99Å; A247-C280 VanDerWaalsContact CB-SG 3.55Å
248	Q	97	Very high	95.5	Very high	12 Å²	12	33.1 Å²	33.1	6%	0.056	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	90.2	-176.2	-58.5	179	-26.6	0	0	109.4	F228 F246 F250 A251 G252 T253 N255	F228-Q248 VanDerWaalsContact CD1-NE2 3.26Å; F228-Q248 HydrophobicContact CD2-CG 4.16Å; F228-Q248 HydrophobicContact CE2-CG 4.46Å; F246-Q248 HydrophobicContact CB-CG 4.41Å; Q248-F250 VanDerWaalsContact C-N 3.32Å; Q248-F250 PolarHBondContact O-N 2.92Å; Q248-A251 HydrophobicContact CB-CB 3.81Å; Q248-A251 PolarHBondContact O-N 2.71Å; Q248-G252 PolarHBondContact O-N 2.9Å; Q248-T253 PolarHBondContact N-O 3.14Å; Q248-T253 PolarHBondContact O-N 2.85Å; Q248-T253 PolarHBondContact OE1-OG1 2.91Å; Q248-N255 HydrophobicContact CG-CB 4.43Å; Q248-N255 PolarHBondContact NE2-ND2 3.33Å
249	P	91.9	Very high	95.6	Very high	24 Å²	24	32.3 Å²	32.3	16%	0.156	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-37.3	-171.6	22.7	-33	0	0	0	112.9	I231 A247 F529	I231-P249 HydrophobicContact CB-CG 4.08Å; I231-P249 HydrophobicContact CG2-CG 4.13Å; A247-P249 WeakPolarHBondContact O-CD 3.44Å; P249-F529 HydrophobicContact CG-CE2 4.2Å
250	F	90.5	Very high	95.8	Very high	134 Å²	134	31 Å²	31	59%	0.588	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-33.8	-177.7	-54.7	-67.5	0	0	0	113.3	E229 Q248 G252 F529	E229-F250 HydrophobicContact CB-CD2 3.98Å; E229-F250 HydrophobicContact CB-CE2 4.4Å; E229-F250 HydrophobicContact CG-CD2 4.27Å; Q248-F250 VanDerWaalsContact C-N 3.32Å; Q248-F250 PolarHBondContact O-N 2.92Å; F250-G252 VanDerWaalsContact C-N 3.27Å; F250-F529 HydrophobicContact CE2-CD2 4.29Å; F250-F529 AromaticContact CE2-CE2 3.97Å; F250-F529 HydrophobicContact CE2-CE2 3.97Å; F250-F529 HydrophobicContact CE2-CZ 4.22Å; F250-F529 WeakPolarHBondContact CE2-O 3.35Å; F250-F529 HydrophobicContact CZ-CE1 4.3Å; F250-F529 AromaticContact CZ-CE2 3.88Å; F250-F529 HydrophobicContact CZ-CE2 3.88Å; F250-F529 AromaticContact CZ-CZ 3.72Å; F250-F529 HydrophobicContact CZ-CZ 3.72Å
251	A	93	Very high	95.9	Very high	61 Å²	61	27.6 Å²	27.6	50%	0.504	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-21.2	172.8	0	0	0	0	0	112.1	Q248	Q248-A251 HydrophobicContact CB-CB 3.81Å; Q248-A251 PolarHBondContact O-N 2.71Å
252	G	94.4	Very high	96	Very high	10 Å²	10	29.8 Å²	29.8	10%	0.103	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	39.9	179.8	0	0	0	0	0	112.5	Q248 F250 S274	Q248-G252 PolarHBondContact O-N 2.9Å; F250-G252 VanDerWaalsContact C-N 3.27Å; G252-S274 CarbonylContact C-O 3.58Å; G252-S274 WeakPolarHBondContact CA-O 3.36Å; G252-S274 CarbonylContact O-C 3.55Å; G252-S274 PolarHBondContact O-N 3.03Å
253	T	96.8	Very high	95.9	Very high	12 Å²	12	33.8 Å²	33.8	7%	0.074	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	150.4	-171.1	47.5	0	0	0	0	112.9	Q248 T271 I272 S274	Q248-T253 PolarHBondContact N-O 3.14Å; Q248-T253 PolarHBondContact O-N 2.85Å; Q248-T253 PolarHBondContact OE1-OG1 2.91Å; T253-T271 HydrophobicContact CG2-CG2 3.4Å; T253-T271 VanDerWaalsContact CG2-CG2 3.4Å; T253-I272 CarbonylContact C-O 3.54Å; T253-I272 VanDerWaalsContact CA-O 3.23Å; T253-I272 WeakPolarHBondContact CA-O 3.42Å; T253-S274 PolarHBondContact N-O 3.29Å
254	C	98.1	Very high	95.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	112.9	151.1	-62	0	0	0	0	107.2	V245 F246 F256 T271 I272 C280	V245-C254 HydrophobicContact CG2-CB 4.08Å; F246-C254 WeakPolarHBondContact O-CA 3.39Å; C254-F256 HydrophobicContact CB-CE2 3.86Å; C254-F256 HydrophobicContact CB-CZ 4.38Å; C254-T271 WeakPolarHBondContact O-CA 3.47Å; C254-I272 HydrophobicContact CB-CB 4.11Å; C254-I272 PolarHBondContact N-O 2.79Å; C254-I272 PolarHBondContact O-N 3.33Å; C254-C280 VanDerWaalsContact CA-SG 3.59Å; C254-C280 HydrophobicContact CB-CB 3.78Å; C254-C280 WeakPolarHBondContact CB-SG 3.18Å; C254-C280 WeakPolarHBondContact SG-CB 3.25Å; C254-C280 CovalentContact SG-SG 2.02Å; C254-C280 PolarHBondContact SG-SG 3.38Å
255	N	97.6	Very high	95.5	Very high	11 Å²	11	38.4 Å²	38.4	6%	0.059	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	121	-178.8	-174.5	11.4	0	0	0	109.9	V245 F246 Q248 T268	V245-N255 WeakPolarHBondContact CA-O 3.45Å; F246-N255 PolarHBondContact N-O 3.07Å; F246-N255 PolarHBondContact O-N 2.85Å; Q248-N255 HydrophobicContact CG-CB 4.43Å; Q248-N255 PolarHBondContact NE2-ND2 3.33Å; N255-T268 WeakPolarHBondContact OD1-CG2 3.39Å
256	F	97.9	Very high	95.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129.9	179	-64.3	-99.6	0	0	0	109.2	F236 V244 V245 C254 Y269 D270 I272 V291 F312	F236-F256 AromaticContact CE1-CD1 4Å; F236-F256 HydrophobicContact CE1-CD1 4Å; F236-F256 HydrophobicContact CE1-CE1 4.17Å; F236-F256 AromaticContact CZ-CD1 3.99Å; F236-F256 HydrophobicContact CZ-CD1 3.99Å; F236-F256 HydrophobicContact CZ-CE1 4.19Å; V244-F256 CarbonylContact O-C 3.59Å; V244-F256 VanDerWaalsContact O-CA 3.28Å; V244-F256 WeakPolarHBondContact O-CA 3.47Å; V245-F256 HydrophobicContact CB-CD1 3.77Å; V245-F256 HydrophobicContact CB-CE1 3.71Å; V245-F256 HydrophobicContact CB-CG 4.37Å; V245-F256 HydrophobicContact CB-CZ 4.26Å; V245-F256 HydrophobicContact CG1-CE1 4.39Å; V245-F256 HydrophobicContact CG2-CD1 3.86Å; V245-F256 HydrophobicContact CG2-CD2 4.21Å; V245-F256 HydrophobicContact CG2-CE1 3.56Å; V245-F256 HydrophobicContact CG2-CE2 3.92Å; V245-F256 HydrophobicContact CG2-CG 4.16Å; V245-F256 HydrophobicContact CG2-CZ 3.58Å; C254-F256 HydrophobicContact CB-CE2 3.86Å; C254-F256 HydrophobicContact CB-CZ 4.38Å; F256-Y269 HydrophobicContact CB-CD1 4Å; F256-Y269 PolarHBondContact O-N 3.09Å; F256-D270 WeakPolarHBondContact CB-O 3.35Å; F256-D270 PolarHBondContact N-O 3.36Å; F256-D270 PolarHBondContact O-N 2.5Å; F256-I272 HydrophobicContact CE2-CB 4.49Å; F256-I272 HydrophobicContact CE2-CD1 3.71Å; F256-I272 HydrophobicContact CE2-CG1 3.86Å; F256-I272 HydrophobicContact CZ-CD1 3.86Å; F256-V291 HydrophobicContact CE1-CG2 3.96Å; F256-V291 HydrophobicContact CZ-CB 4.44Å; F256-V291 HydrophobicContact CZ-CG1 4.01Å; F256-V291 HydrophobicContact CZ-CG2 3.72Å; F256-F312 HydrophobicContact CD1-CE2 4.37Å; F256-F312 HydrophobicContact CD1-CZ 4.2Å; F256-F312 AromaticContact CD2-CE2 3.93Å; F256-F312 HydrophobicContact CD2-CE2 3.93Å; F256-F312 HydrophobicContact CD2-CZ 4.47Å; F256-F312 HydrophobicContact CE1-CE2 4.31Å; F256-F312 AromaticContact CE1-CZ 3.9Å; F256-F312 HydrophobicContact CE1-CZ 3.9Å; F256-F312 HydrophobicContact CE2-CD2 4.4Å; F256-F312 AromaticContact CE2-CE2 3.89Å; F256-F312 HydrophobicContact CE2-CE2 3.89Å; F256-F312 HydrophobicContact CE2-CZ 4.22Å; F256-F312 HydrophobicContact CG-CE2 4.2Å; F256-F312 HydrophobicContact CG-CZ 4.48Å; F256-F312 HydrophobicContact CZ-CE2 4.08Å; F256-F312 AromaticContact CZ-CZ 3.92Å; F256-F312 HydrophobicContact CZ-CZ 3.92Å
257	L	97.8	Very high	95.2	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	147.1	174.6	-47.8	-177.6	0	0	0	110.3	L226 Y243 V244 F246 F266 R267	L226-L257 HydrophobicContact CD1-CD1 4Å; Y243-L257 WeakPolarHBondContact CA-O 3.37Å; V244-L257 HydrophobicContact CB-CB 4.31Å; V244-L257 PolarHBondContact N-O 3.07Å; V244-L257 PolarHBondContact O-N 3.35Å; F246-L257 HydrophobicContact CD2-CD1 4.06Å; F246-L257 HydrophobicContact CD2-CG 4.43Å; F246-L257 HydrophobicContact CE2-CD1 3.75Å; L257-F266 HydrophobicContact CB-CB 4.27Å; L257-F266 HydrophobicContact CB-CD1 4.44Å; L257-F266 HydrophobicContact CD1-CB 4.02Å; L257-R267 CarbonylContact C-O 3.56Å; L257-R267 WeakPolarHBondContact CA-O 3.37Å; L257-R267 WeakPolarHBondContact CB-O 3.47Å
258	E	95.9	Very high	95	Very high	35 Å²	35	48.7 Å²	48.7	16%	0.164	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	161.1	168.2	66.8	-177.7	-174.9	0	0	110	Y243 F266 R267 Y269	Y243-E258 HydrophobicContact CD1-CB 3.87Å; Y243-E258 HydrophobicContact CE1-CB 3.78Å; E258-F266 WeakPolarHBondContact O-CA 3.25Å; E258-R267 HydrophobicContact CG-CG 3.76Å; E258-R267 PolarHBondContact N-O 2.71Å; E258-R267 PolarHBondContact O-N 3.39Å; E258-R267 IonicContact OE1-CZ 3.02Å; E258-R267 IonicContact OE1-NE 3.27Å; E258-R267 PolarHBondContact OE1-NE 3.24Å; E258-R267 IonicContact OE1-NH2 3.26Å; E258-R267 PolarHBondContact OE1-NH2 3.46Å; E258-Y269 WeakPolarHBondContact OE2-CD2 3.38Å
259	W	96.4	Very high	94.8	Very high	11 Å²	11	50.6 Å²	50.6	4%	0.042	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	125.5	177.3	178.6	-106.4	0	0	0	110.8	Y223 H261 M264 F266 V518 D519 F523	Y223-W259 HydrophobicContact CE1-CZ3 4.4Å; W259-H261 AromaticContact CD1-CE1 3.47Å; W259-H261 VanDerWaalsContact CD1-CE1 3.47Å; W259-H261 AromaticContact CD1-CG 3.74Å; W259-H261 AromaticContact CD1-ND1 3.32Å; W259-H261 VanDerWaalsContact CD1-ND1 3.32Å; W259-H261 AromaticContact CD1-NE2 3.92Å; W259-H261 AromaticContact NE1-ND1 3.52Å; W259-M264 VanDerWaalsContact CH2-C 3.41Å; W259-M264 HydrophobicContact CH2-CB 4.15Å; W259-M264 VanDerWaalsContact CH2-O 3.29Å; W259-M264 WeakPolarHBondContact CH2-O 3.49Å; W259-M264 HydrophobicContact CZ2-CB 4.1Å; W259-M264 HydrophobicContact CZ2-SD 3.71Å; W259-F266 HydrophobicContact CB-CE1 4.44Å; W259-F266 HydrophobicContact CE3-CD1 4.29Å; W259-F266 AromaticContact CE3-CD2 4Å; W259-F266 HydrophobicContact CE3-CD2 4Å; W259-F266 HydrophobicContact CE3-CE1 4.04Å; W259-F266 AromaticContact CE3-CE2 3.74Å; W259-F266 HydrophobicContact CE3-CE2 3.74Å; W259-F266 HydrophobicContact CE3-CG 4.27Å; W259-F266 AromaticContact CE3-CZ 3.75Å; W259-F266 HydrophobicContact CE3-CZ 3.75Å; W259-F266 HydrophobicContact CZ3-CD2 4.06Å; W259-F266 AromaticContact CZ3-CE2 3.78Å; W259-F266 HydrophobicContact CZ3-CE2 3.78Å; W259-F266 HydrophobicContact CZ3-CZ 4.21Å; W259-V518 HydrophobicContact CB-CB 4.43Å; W259-V518 HydrophobicContact CB-CG1 4.21Å; W259-V518 HydrophobicContact CB-CG2 4.35Å; W259-V518 HydrophobicContact CD2-CB 4.27Å; W259-V518 HydrophobicContact CD2-CG2 3.54Å; W259-V518 HydrophobicContact CE3-CG2 3.81Å; W259-V518 HydrophobicContact CG-CB 4.01Å; W259-V518 HydrophobicContact CG-CG1 4.33Å; W259-V518 HydrophobicContact CG-CG2 3.78Å; W259-V518 HydrophobicContact CZ2-CG2 4.37Å; W259-V518 HydrophobicContact CZ3-CG2 4.33Å; W259-D519 PolarHBondContact NE1-OD2 3.4Å; W259-F523 HydrophobicContact CE3-CE2 4.37Å; W259-F523 AromaticContact CH2-CE2 3.8Å; W259-F523 HydrophobicContact CH2-CE2 3.8Å; W259-F523 AromaticContact CH2-CZ 3.51Å; W259-F523 HydrophobicContact CH2-CZ 3.51Å; W259-F523 HydrophobicContact CZ2-CE2 4.48Å; W259-F523 HydrophobicContact CZ2-CZ 4.43Å; W259-F523 HydrophobicContact CZ3-CE1 4.48Å; W259-F523 AromaticContact CZ3-CE2 3.73Å; W259-F523 HydrophobicContact CZ3-CE2 3.73Å; W259-F523 AromaticContact CZ3-CZ 3.68Å; W259-F523 HydrophobicContact CZ3-CZ 3.68Å
260	D	94.6	Very high	95	Very high	18 Å²	18	51.3 Å²	51.3	10%	0.096	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	105.2	171.3	-165.1	-50.5	0	0	0	109.6	V262 E263 M264 T265 R267	D260-V262 PolarHBondContact O-N 3.27Å; D260-V262 WeakPolarHBondContact OD1-CA 3.42Å; D260-V262 WeakPolarHBondContact OD1-CB 3.31Å; D260-V262 PolarHBondContact OD1-N 3.3Å; D260-E263 HydrophobicContact CB-CB 4.34Å; D260-E263 PolarHBondContact OD1-N 2.74Å; D260-M264 WeakPolarHBondContact O-CA 3.28Å; D260-M264 PolarHBondContact O-N 3.33Å; D260-T265 WeakPolarHBondContact CB-O 3.35Å; D260-T265 PolarHBondContact N-O 3.02Å; D260-T265 PolarHBondContact O-N 2.86Å; D260-R267 HydrophobicContact CB-CG 4.37Å; D260-R267 WeakPolarHBondContact OD2-CD 3.32Å; D260-R267 IonicContact OD2-CZ 2.82Å; D260-R267 IonicContact OD2-NE 2.79Å; D260-R267 IonicContact OD2-NH1 3.9Å; D260-R267 PolarHBondContact OD2-NH1 3.07Å
261	H	93.1	Very high	95.3	Very high	85 Å²	85	47.2 Å²	47.2	39%	0.394	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.7	-179.9	-57.9	-86.8	0	0	0	114	E241 W259 M264 D519	E241-H261 IonicContact OE2-NE2 3.61Å; W259-H261 AromaticContact CD1-CE1 3.47Å; W259-H261 VanDerWaalsContact CD1-CE1 3.47Å; W259-H261 AromaticContact CD1-CG 3.74Å; W259-H261 AromaticContact CD1-ND1 3.32Å; W259-H261 VanDerWaalsContact CD1-ND1 3.32Å; W259-H261 AromaticContact CD1-NE2 3.92Å; W259-H261 AromaticContact NE1-ND1 3.52Å; H261-M264 WeakPolarHBondContact O-CE 3.18Å; H261-D519 IonicContact CE1-OD1 2.71Å; H261-D519 PolarHBondContact CE1-OD1 3.08Å; H261-D519 IonicContact CE1-OD2 3.59Å; H261-D519 IonicContact CG-OD2 3.36Å; H261-D519 VanDerWaalsContact ND1-CG 3.3Å; H261-D519 IonicContact ND1-OD1 2.92Å; H261-D519 PolarHBondContact ND1-OD1 3.21Å; H261-D519 IonicContact ND1-OD2 2.77Å; H261-D519 PolarHBondContact ND1-OD2 3.07Å
262	V	93.4	Very high	95.5	Very high	132 Å²	132	44.6 Å²	44.6	80%	0.8	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-50.4	-179.5	-178.5	0	0	0	0	109.9	D260 M264	D260-V262 PolarHBondContact O-N 3.27Å; D260-V262 WeakPolarHBondContact OD1-CA 3.42Å; D260-V262 WeakPolarHBondContact OD1-CB 3.31Å; D260-V262 PolarHBondContact OD1-N 3.3Å; V262-M264 VanDerWaalsContact C-N 3.31Å
263	E	94	Very high	95.6	Very high	138 Å²	138	50.6 Å²	50.6	65%	0.645	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-12.4	179.5	-63.4	-167.5	167.9	0	0	112.9	D260 T265	D260-E263 HydrophobicContact CB-CB 4.34Å; D260-E263 PolarHBondContact OD1-N 2.74Å; E263-T265 VanDerWaalsContact C-N 3.28Å; E263-T265 PolarHBondContact O-N 3.08Å
264	M	94.2	Very high	95.4	Very high	77 Å²	77	50.2 Å²	50.2	38%	0.379	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	41	-173.2	-60.4	-74.2	177.1	0	0	111.4	Y223 W259 D260 H261 V262	Y223-M264 PolarHBondContact OH-O 2.85Å; W259-M264 VanDerWaalsContact CH2-C 3.41Å; W259-M264 HydrophobicContact CH2-CB 4.15Å; W259-M264 VanDerWaalsContact CH2-O 3.29Å; W259-M264 WeakPolarHBondContact CH2-O 3.49Å; W259-M264 HydrophobicContact CZ2-CB 4.1Å; W259-M264 HydrophobicContact CZ2-SD 3.71Å; D260-M264 WeakPolarHBondContact O-CA 3.28Å; D260-M264 PolarHBondContact O-N 3.33Å; H261-M264 WeakPolarHBondContact O-CE 3.18Å; V262-M264 VanDerWaalsContact C-N 3.31Å
265	T	94.5	Very high	95	Very high	42 Å²	42	54.5 Å²	54.5	26%	0.258	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	162.4	-179.9	65.5	0	0	0	0	112.1	D260 E263	D260-T265 WeakPolarHBondContact CB-O 3.35Å; D260-T265 PolarHBondContact N-O 3.02Å; D260-T265 PolarHBondContact O-N 2.86Å; E263-T265 VanDerWaalsContact C-N 3.28Å; E263-T265 PolarHBondContact O-N 3.08Å
266	F	95.3	Very high	94.7	Very high	9 Å²	9	55.9 Å²	55.9	4%	0.039	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	122.3	168.7	-71	-83.7	0	0	0	109.9	V244 L257 E258 W259 V516 V518 F523 I535	V244-F266 HydrophobicContact CG2-CD1 4.22Å; V244-F266 HydrophobicContact CG2-CE1 3.91Å; L257-F266 HydrophobicContact CB-CB 4.27Å; L257-F266 HydrophobicContact CB-CD1 4.44Å; L257-F266 HydrophobicContact CD1-CB 4.02Å; E258-F266 WeakPolarHBondContact O-CA 3.25Å; W259-F266 HydrophobicContact CB-CE1 4.44Å; W259-F266 HydrophobicContact CE3-CD1 4.29Å; W259-F266 AromaticContact CE3-CD2 4Å; W259-F266 HydrophobicContact CE3-CD2 4Å; W259-F266 HydrophobicContact CE3-CE1 4.04Å; W259-F266 AromaticContact CE3-CE2 3.74Å; W259-F266 HydrophobicContact CE3-CE2 3.74Å; W259-F266 HydrophobicContact CE3-CG 4.27Å; W259-F266 AromaticContact CE3-CZ 3.75Å; W259-F266 HydrophobicContact CE3-CZ 3.75Å; W259-F266 HydrophobicContact CZ3-CD2 4.06Å; W259-F266 AromaticContact CZ3-CE2 3.78Å; W259-F266 HydrophobicContact CZ3-CE2 3.78Å; W259-F266 HydrophobicContact CZ3-CZ 4.21Å; F266-V516 HydrophobicContact CE1-CG1 4.17Å; F266-V516 HydrophobicContact CZ-CG1 3.6Å; F266-V518 HydrophobicContact CZ-CG2 4.39Å; F266-F523 HydrophobicContact CE2-CB 4.34Å; F266-F523 HydrophobicContact CE2-CD1 4.42Å; F266-F523 AromaticContact CE2-CD2 3.95Å; F266-F523 HydrophobicContact CE2-CD2 3.95Å; F266-F523 HydrophobicContact CE2-CE2 4.37Å; F266-F523 AromaticContact CE2-CG 3.97Å; F266-F523 HydrophobicContact CE2-CG 3.97Å; F266-F523 AromaticContact CZ-CD2 3.98Å; F266-F523 HydrophobicContact CZ-CD2 3.98Å; F266-F523 HydrophobicContact CZ-CG 4.33Å; F266-I535 HydrophobicContact CB-CD1 4.18Å; F266-I535 HydrophobicContact CD2-CD1 3.43Å; F266-I535 VanDerWaalsContact CD2-CD1 3.43Å; F266-I535 HydrophobicContact CD2-CG2 4.49Å; F266-I535 HydrophobicContact CE2-CD1 4.1Å; F266-I535 HydrophobicContact CE2-CG2 4.25Å; F266-I535 HydrophobicContact CG-CD1 4.01Å
267	R	93.6	Very high	94.6	Very high	120 Å²	120	55.9 Å²	55.9	45%	0.453	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	156	177.1	71	177.9	-171.1	-170.7	6.2	111.3	L257 E258 D260 Y269	L257-R267 CarbonylContact C-O 3.56Å; L257-R267 WeakPolarHBondContact CA-O 3.37Å; L257-R267 WeakPolarHBondContact CB-O 3.47Å; E258-R267 HydrophobicContact CG-CG 3.76Å; E258-R267 PolarHBondContact N-O 2.71Å; E258-R267 PolarHBondContact O-N 3.39Å; E258-R267 IonicContact OE1-CZ 3.02Å; E258-R267 IonicContact OE1-NE 3.27Å; E258-R267 PolarHBondContact OE1-NE 3.24Å; E258-R267 IonicContact OE1-NH2 3.26Å; E258-R267 PolarHBondContact OE1-NH2 3.46Å; D260-R267 HydrophobicContact CB-CG 4.37Å; D260-R267 WeakPolarHBondContact OD2-CD 3.32Å; D260-R267 IonicContact OD2-CZ 2.82Å; D260-R267 IonicContact OD2-NE 2.79Å; D260-R267 IonicContact OD2-NH1 3.9Å; D260-R267 PolarHBondContact OD2-NH1 3.07Å; R267-Y269 PolarHBondContact O-N 2.83Å
268	T	94.8	Very high	94.6	Very high	87 Å²	87	56.2 Å²	56.2	53%	0.534	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	121.7	175.8	-60.9	0	0	0	0	110.7	N255	N255-T268 WeakPolarHBondContact OD1-CG2 3.39Å
269	Y	93.7	Very high	94.7	Very high	53 Å²	53	54.9 Å²	54.9	21%	0.208	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-53.6	173	170.1	-115.9	0	0	0	111.6	Y243 F256 E258 R267 R305	Y243-Y269 HydrophobicContact CD1-CD1 4.18Å; Y243-Y269 HydrophobicContact CD1-CG 4.3Å; Y243-Y269 HydrophobicContact CE1-CD1 4.11Å; Y243-Y269 HydrophobicContact CE1-CD2 4.12Å; Y243-Y269 HydrophobicContact CE1-CE1 4.21Å; Y243-Y269 HydrophobicContact CE1-CE2 4.23Å; Y243-Y269 HydrophobicContact CE1-CG 4.04Å; F256-Y269 HydrophobicContact CB-CD1 4Å; F256-Y269 PolarHBondContact O-N 3.09Å; E258-Y269 WeakPolarHBondContact OE2-CD2 3.38Å; R267-Y269 PolarHBondContact O-N 2.83Å; Y269-R305 PolarHBondContact OH-NE 2.87Å; Y269-R305 PolarHBondContact OH-NH2 2.94Å
270	D	95.6	Very high	94.8	Very high	39 Å²	39	54.4 Å²	54.4	21%	0.209	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	174.5	-179.5	-157.2	-6.3	0	0	0	110.8	F256 R305 F312	F256-D270 WeakPolarHBondContact CB-O 3.35Å; F256-D270 PolarHBondContact N-O 3.36Å; F256-D270 PolarHBondContact O-N 2.5Å; D270-R305 IonicContact OD2-CZ 2.62Å; D270-R305 IonicContact OD2-NH1 3.58Å; D270-R305 PolarHBondContact OD2-NH1 2.86Å; D270-F312 HydrophobicContact CB-CD2 4.3Å; D270-F312 HydrophobicContact CB-CE2 4.05Å; D270-F312 WeakPolarHBondContact OD2-CD2 3.27Å
271	T	96.7	Very high	95	Very high	48 Å²	48	54.1 Å²	54.1	29%	0.294	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	134.9	179.7	-63.6	0	0	0	0	111.7	T253 C254	T253-T271 HydrophobicContact CG2-CG2 3.4Å; T253-T271 VanDerWaalsContact CG2-CG2 3.4Å; C254-T271 WeakPolarHBondContact O-CA 3.47Å
272	I	97.9	Very high	95.2	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.6	166.8	-62.1	169	0	0	0	108.4	T253 C254 F256 S274 V291 V293 Y303 F312	T253-I272 CarbonylContact C-O 3.54Å; T253-I272 VanDerWaalsContact CA-O 3.23Å; T253-I272 WeakPolarHBondContact CA-O 3.42Å; C254-I272 HydrophobicContact CB-CB 4.11Å; C254-I272 PolarHBondContact N-O 2.79Å; C254-I272 PolarHBondContact O-N 3.33Å; F256-I272 HydrophobicContact CE2-CB 4.49Å; F256-I272 HydrophobicContact CE2-CD1 3.71Å; F256-I272 HydrophobicContact CE2-CG1 3.86Å; F256-I272 HydrophobicContact CZ-CD1 3.86Å; I272-S274 PolarHBondContact O-N 2.81Å; I272-V291 HydrophobicContact CD1-CB 4.12Å; I272-V291 HydrophobicContact CD1-CG1 4.15Å; I272-V291 HydrophobicContact CD1-CG2 4.3Å; I272-V293 HydrophobicContact CD1-CG2 4.37Å; I272-V293 HydrophobicContact CG2-CG2 4.43Å; I272-Y303 HydrophobicContact CD1-CD1 4.28Å; I272-Y303 HydrophobicContact CD1-CD2 4.27Å; I272-Y303 HydrophobicContact CD1-CG 3.92Å; I272-Y303 HydrophobicContact CG1-CD1 4.44Å; I272-Y303 HydrophobicContact CG2-CD1 4.01Å; I272-Y303 HydrophobicContact CG2-CD2 4.07Å; I272-Y303 HydrophobicContact CG2-CE1 3.64Å; I272-Y303 HydrophobicContact CG2-CE2 3.72Å; I272-Y303 HydrophobicContact CG2-CG 4.22Å; I272-F312 HydrophobicContact CD1-CB 3.97Å; I272-F312 HydrophobicContact CD1-CD1 4.01Å; I272-F312 HydrophobicContact CD1-CD2 4.07Å; I272-F312 HydrophobicContact CD1-CG 3.75Å; I272-F312 HydrophobicContact CG1-CB 3.74Å; I272-F312 HydrophobicContact CG1-CD2 3.82Å; I272-F312 HydrophobicContact CG1-CG 3.79Å
273	Q	96.6	Very high	95.4	Very high	137 Å²	137	45 Å²	45	64%	0.64	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	124.6	171.8	-62.9	-61.9	-44.1	0	0	109.6
274	S	92.6	Very high	95.5	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.021	22%	0.218	C	C	.	.			trans	-157.5	106.8	-174	172	0	0	0	0	110	G252 T253 I272 T277 V293 Q295	G252-S274 CarbonylContact C-O 3.58Å; G252-S274 WeakPolarHBondContact CA-O 3.36Å; G252-S274 CarbonylContact O-C 3.55Å; G252-S274 PolarHBondContact O-N 3.03Å; T253-S274 PolarHBondContact N-O 3.29Å; I272-S274 PolarHBondContact O-N 2.81Å; S274-T277 WeakPolarHBondContact CB-OG1 3.09Å; S274-T277 PolarHBondContact O-OG1 3.44Å; S274-T277 PolarHBondContact OG-OG1 2.89Å; S274-V293 WeakPolarHBondContact OG-CG1 3.41Å; S274-Q295 WeakPolarHBondContact OG-CG 3.4Å; S274-Q295 PolarHBondContact OG-NE2 2.8Å; S274-Q295 VanDerWaalsContact OG-NE2 3.16Å
275	T	89.1	Confident	95.6	Very high	90 Å²	90	38.1 Å²	38.1	55%	0.552	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	133.9	179.5	51.3	0	0	0	0	110.6	T277 Q295	T275-T277 VanDerWaalsContact C-N 3.31Å; T275-T277 PolarHBondContact O-N 2.97Å; T275-Q295 PolarHBondContact O-NE2 2.81Å
276	S	91.9	Very high	95.5	Very high	40 Å²	40	43 Å²	43	28%	0.28	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	42.6	177.7	-52.5	0	0	0	0	114.4	L296 F297	S276-L296 PolarHBondContact O-N 2.93Å; S276-L296 VanDerWaalsContact O-N 3.14Å; S276-F297 WeakPolarHBondContact OG-CD2 3.11Å
277	T	95.7	Very high	95.3	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	138.9	176.5	-40.4	0	0	0	0	112	A247 S274 T275 C280 V293 A294	A247-T277 HydrophobicContact CB-CG2 3.99Å; S274-T277 WeakPolarHBondContact CB-OG1 3.09Å; S274-T277 PolarHBondContact O-OG1 3.44Å; S274-T277 PolarHBondContact OG-OG1 2.89Å; T275-T277 VanDerWaalsContact C-N 3.31Å; T275-T277 PolarHBondContact O-N 2.97Å; T277-C280 WeakPolarHBondContact CG2-SG 3.37Å; T277-V293 HydrophobicContact CG2-CG1 3.96Å; T277-A294 WeakPolarHBondContact CA-O 3.41Å
278	V	96.6	Very high	95.4	Very high	11 Å²	11	46.2 Å²	46.2	7%	0.067	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-46.4	173.9	-170.1	0	0	0	0	110.7	I231 S232 A294 L296	I231-V278 HydrophobicContact CD1-CG1 4.5Å; I231-V278 VanDerWaalsContact CG2-O 3.23Å; I231-V278 WeakPolarHBondContact CG2-O 3.36Å; S232-V278 PolarHBondContact OG-O 2.96Å; V278-A294 PolarHBondContact N-O 2.84Å; V278-L296 HydrophobicContact CG2-CD1 4.1Å; V278-L296 HydrophobicContact CG2-CD2 3.98Å; V278-L296 HydrophobicContact CG2-CG 3.59Å
279	V	97.9	Very high	95.5	Very high	6 Å²	6	42.1 Å²	42.1	4%	0.036	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	137.2	-178.2	-175.9	0	0	0	0	110	K281 A294 I329	V279-K281 HydrophobicContact CG1-CB 4.12Å; V279-K281 HydrophobicContact CG1-CD 4.48Å; V279-A294 HydrophobicContact CB-CB 4.26Å; V279-A294 PolarHBondContact O-N 3.35Å; V279-I329 HydrophobicContact CB-CD1 4.02Å; V279-I329 HydrophobicContact CB-CG1 4.06Å; V279-I329 HydrophobicContact CG1-CB 4.05Å; V279-I329 HydrophobicContact CG1-CD1 4.09Å; V279-I329 HydrophobicContact CG1-CG1 4.06Å
280	C	98.4	Very high	95.7	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.007	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	88.2	169.8	-51.5	0	0	0	0	107.2	V245 A247 C254 T277 P282 V291	V245-C280 HydrophobicContact CG1-CB 4.39Å; V245-C280 VanDerWaalsContact CG1-O 3.31Å; V245-C280 WeakPolarHBondContact CG1-O 3.29Å; V245-C280 HydrophobicContact CG2-CB 3.62Å; A247-C280 VanDerWaalsContact CB-SG 3.55Å; C254-C280 VanDerWaalsContact CA-SG 3.59Å; C254-C280 HydrophobicContact CB-CB 3.78Å; C254-C280 WeakPolarHBondContact CB-SG 3.18Å; C254-C280 WeakPolarHBondContact SG-CB 3.25Å; C254-C280 CovalentContact SG-SG 2.02Å; C254-C280 PolarHBondContact SG-SG 3.38Å; T277-C280 WeakPolarHBondContact CG2-SG 3.37Å; C280-P282 VanDerWaalsContact O-CD 3.3Å; C280-P282 WeakPolarHBondContact O-CD 3.48Å; C280-V291 HydrophobicContact CB-CG1 4.41Å
281	K	98.6	Very high	95.9	Very high	12 Å²	12	37.8 Å²	37.8	5%	0.052	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	111.9	-173.9	-160.3	74.2	169.3	-157	0	109.8	E234 V279 V291 I292 I329 E330 T331	E234-K281 HydrophobicContact CG-CD 4.15Å; E234-K281 VanDerWaalsContact OE1-CD 3.29Å; E234-K281 WeakPolarHBondContact OE1-CD 3.39Å; E234-K281 IonicContact OE1-NZ 3.84Å; E234-K281 PolarHBondContact OE1-NZ 3.37Å; E234-K281 IonicContact OE2-NZ 3.57Å; V279-K281 HydrophobicContact CG1-CB 4.12Å; V279-K281 HydrophobicContact CG1-CD 4.48Å; K281-V291 WeakPolarHBondContact O-CA 3.42Å; K281-I292 HydrophobicContact CB-CB 4.47Å; K281-I292 HydrophobicContact CB-CD1 4.43Å; K281-I292 PolarHBondContact N-O 3.39Å; K281-I292 PolarHBondContact O-N 2.88Å; K281-I329 HydrophobicContact CB-CB 3.97Å; K281-I329 HydrophobicContact CB-CD1 4.34Å; K281-I329 HydrophobicContact CB-CG2 3.81Å; K281-I329 VanDerWaalsContact CD-O 3.3Å; K281-I329 WeakPolarHBondContact CD-O 3.27Å; K281-I329 WeakPolarHBondContact CE-O 3.38Å; K281-I329 HydrophobicContact CG-CB 4.22Å; K281-I329 HydrophobicContact CG-CG2 3.92Å; K281-I329 PolarHBondContact NZ-O 3.16Å; K281-E330 IonicContact NZ-OE1 3.8Å; K281-E330 IonicContact NZ-OE2 2.73Å; K281-E330 PolarHBondContact NZ-OE2 2.83Å; K281-T331 HydrophobicContact CG-CG2 3.73Å
282	P	98.3	Very high	96	Very high	13 Å²	13	35.5 Å²	35.5	8%	0.084	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	146.4	174.9	31.9	-33.9	0	0	0	110.3	E234 F236 V245 C280 L289	E234-P282 HydrophobicContact CB-CG 4.16Å; F236-P282 HydrophobicContact CB-CB 3.91Å; F236-P282 HydrophobicContact CB-CG 3.66Å; F236-P282 HydrophobicContact CD1-CB 3.54Å; F236-P282 HydrophobicContact CD1-CG 3.5Å; F236-P282 VanDerWaalsContact CD1-CG 3.5Å; F236-P282 HydrophobicContact CD2-CB 4.05Å; F236-P282 HydrophobicContact CE1-CB 4Å; F236-P282 HydrophobicContact CE1-CG 4.29Å; F236-P282 HydrophobicContact CE2-CB 4.48Å; F236-P282 HydrophobicContact CG-CB 3.55Å; F236-P282 HydrophobicContact CG-CG 3.69Å; F236-P282 HydrophobicContact CZ-CB 4.44Å; V245-P282 HydrophobicContact CG1-CG 4.27Å; C280-P282 VanDerWaalsContact O-CD 3.3Å; C280-P282 WeakPolarHBondContact O-CD 3.48Å; P282-L289 HydrophobicContact CB-CD1 4.26Å
283	M	96.9	Very high	96	Very high	14 Å²	14	35.3 Å²	35.3	7%	0.069	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	127.7	175.3	-170.9	179.1	-165.9	0	0	109.4	I285 F290 I292 T331 F361	M283-I285 HydrophobicContact CE-CD1 3.9Å; M283-I285 HydrophobicContact CE-CG1 4.18Å; M283-I285 HydrophobicContact CG-CD1 4.37Å; M283-I285 HydrophobicContact CG-CG1 4.16Å; M283-I285 HydrophobicContact SD-CD1 3.94Å; M283-I285 HydrophobicContact SD-CG1 4.35Å; M283-F290 PolarHBondContact N-O 3.23Å; M283-F290 PolarHBondContact O-N 3.31Å; M283-I292 HydrophobicContact CB-CD1 4.19Å; M283-T331 HydrophobicContact CB-CG2 4.33Å; M283-T331 HydrophobicContact CG-CG2 4.34Å; M283-T331 HydrophobicContact SD-CG2 4.26Å; M283-F361 HydrophobicContact CE-CE1 4.32Å; M283-F361 HydrophobicContact SD-CE1 3.7Å; M283-F361 HydrophobicContact SD-CZ 3.62Å
284	V	96.4	Very high	96.1	Very high	61 Å²	61	28.8 Å²	28.8	37%	0.37	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	122.4	178.3	-177.5	0	0	0	0	109.3	F238 Q288 L289	F238-V284 HydrophobicContact CD2-CG1 4.24Å; F238-V284 HydrophobicContact CD2-CG2 4.09Å; V284-Q288 WeakPolarHBondContact CA-O 3.37Å; V284-L289 HydrophobicContact CG2-CD1 3.98Å
285	I	96	Very high	96.2	Very high	9 Å²	9	29 Å²	29	5%	0.046	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	125.8	177.4	-54.9	176.5	0	0	0	107.4	M283 N287 Q288 F290 W356 F361	M283-I285 HydrophobicContact CE-CD1 3.9Å; M283-I285 HydrophobicContact CE-CG1 4.18Å; M283-I285 HydrophobicContact CG-CD1 4.37Å; M283-I285 HydrophobicContact CG-CG1 4.16Å; M283-I285 HydrophobicContact SD-CD1 3.94Å; M283-I285 HydrophobicContact SD-CG1 4.35Å; I285-N287 PolarHBondContact O-N 3.08Å; I285-Q288 PolarHBondContact N-O 2.8Å; I285-Q288 WeakPolarHBondContact O-CA 3.23Å; I285-Q288 WeakPolarHBondContact O-CB 3.13Å; I285-Q288 PolarHBondContact O-N 2.62Å; I285-F290 HydrophobicContact CB-CD2 4.44Å; I285-F290 HydrophobicContact CB-CE2 4.13Å; I285-F290 HydrophobicContact CG1-CD2 4.47Å; I285-W356 HydrophobicContact CD1-CB 4.2Å; I285-W356 HydrophobicContact CD1-CD2 3.97Å; I285-W356 HydrophobicContact CD1-CE3 4.32Å; I285-W356 HydrophobicContact CD1-CG 3.91Å; I285-F361 HydrophobicContact CD1-CE1 3.96Å; I285-F361 HydrophobicContact CD1-CZ 3.52Å
286	D	92.8	Very high	96.5	Very high	143 Å²	143	28.4 Å²	28.4	77%	0.765	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	44.3	177.8	-56	-36.9	0	0	0	113.4	Q288	D286-Q288 PolarHBondContact O-N 2.86Å
287	N	91.8	Very high	96.5	Very high	118 Å²	118	33.1 Å²	33.1	63%	0.631	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	22	-176.5	-161.1	46	0	0	0	114.7	F238 I285	F238-N287 WeakPolarHBondContact CE2-O 3.43Å; I285-N287 PolarHBondContact O-N 3.08Å
288	Q	95.3	Very high	96.2	Very high	79 Å²	79	36.5 Å²	36.5	37%	0.369	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.2	170.1	-60.7	-176.4	0.4	0	0	109.6	V284 I285 D286 F290	V284-Q288 WeakPolarHBondContact CA-O 3.37Å; I285-Q288 PolarHBondContact N-O 2.8Å; I285-Q288 WeakPolarHBondContact O-CA 3.23Å; I285-Q288 WeakPolarHBondContact O-CB 3.13Å; I285-Q288 PolarHBondContact O-N 2.62Å; D286-Q288 PolarHBondContact O-N 2.86Å; Q288-F290 HydrophobicContact CB-CE2 3.72Å; Q288-F290 HydrophobicContact CB-CZ 4.14Å; Q288-F290 WeakPolarHBondContact O-CD2 3.15Å
289	L	97.2	Very high	96	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	125.3	177.7	174.2	65.1	0	0	0	110.6	F236 F238 P282 V284 K304 R305 F312	F236-L289 HydrophobicContact CD2-CD1 3.92Å; F236-L289 HydrophobicContact CE2-CD1 3.59Å; F236-L289 HydrophobicContact CE2-CD2 3.65Å; F236-L289 HydrophobicContact CE2-CG 4.28Å; F236-L289 HydrophobicContact CZ-CD1 4.29Å; F236-L289 HydrophobicContact CZ-CD2 4Å; F238-L289 HydrophobicContact CD1-CB 4.42Å; F238-L289 HydrophobicContact CD1-CD2 4.28Å; F238-L289 HydrophobicContact CD2-CB 3.73Å; F238-L289 HydrophobicContact CE1-CB 4.31Å; F238-L289 HydrophobicContact CE2-CB 3.61Å; F238-L289 HydrophobicContact CG-CB 4.14Å; F238-L289 HydrophobicContact CG-CD2 4.33Å; F238-L289 HydrophobicContact CZ-CB 3.92Å; P282-L289 HydrophobicContact CB-CD1 4.26Å; V284-L289 HydrophobicContact CG2-CD1 3.98Å; L289-K304 WeakPolarHBondContact O-CA 3.34Å; L289-R305 HydrophobicContact CB-CB 3.78Å; L289-R305 HydrophobicContact CD2-CB 4.11Å; L289-R305 HydrophobicContact CD2-CG 4.48Å; L289-R305 HydrophobicContact CG-CB 4.2Å; L289-R305 PolarHBondContact O-N 3.14Å; L289-F312 HydrophobicContact CD2-CE1 3.86Å; L289-F312 HydrophobicContact CD2-CZ 3.84Å; L289-F312 HydrophobicContact CG-CE1 4.24Å
290	F	98.2	Very high	96	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	152.4	170.1	-58.7	-91.4	0	0	0	109.7	M283 I285 Q288 Y303 K304 I315 W356 F361	M283-F290 PolarHBondContact N-O 3.23Å; M283-F290 PolarHBondContact O-N 3.31Å; I285-F290 HydrophobicContact CB-CD2 4.44Å; I285-F290 HydrophobicContact CB-CE2 4.13Å; I285-F290 HydrophobicContact CG1-CD2 4.47Å; Q288-F290 HydrophobicContact CB-CE2 3.72Å; Q288-F290 HydrophobicContact CB-CZ 4.14Å; Q288-F290 WeakPolarHBondContact O-CD2 3.15Å; F290-Y303 CarbonylContact C-O 3.48Å; F290-Y303 VanDerWaalsContact CA-O 3.23Å; F290-Y303 WeakPolarHBondContact CA-O 3.32Å; F290-K304 HydrophobicContact CD1-CB 4.03Å; F290-K304 HydrophobicContact CD1-CG 4.16Å; F290-K304 HydrophobicContact CE1-CB 4.09Å; F290-K304 HydrophobicContact CE1-CD 3.83Å; F290-K304 HydrophobicContact CE1-CG 3.88Å; F290-K304 HydrophobicContact CZ-CD 4.24Å; F290-K304 HydrophobicContact CZ-CG 4.43Å; F290-I315 HydrophobicContact CD1-CD1 3.85Å; F290-I315 HydrophobicContact CE1-CD1 3.74Å; F290-W356 AromaticContact CE1-CH2 3.91Å; F290-W356 HydrophobicContact CE1-CH2 3.91Å; F290-W356 AromaticContact CE1-CZ3 3.98Å; F290-W356 HydrophobicContact CE1-CZ3 3.98Å; F290-W356 HydrophobicContact CE2-CH2 4.34Å; F290-W356 AromaticContact CZ-CH2 3.54Å; F290-W356 HydrophobicContact CZ-CH2 3.54Å; F290-W356 HydrophobicContact CZ-CZ2 4.2Å; F290-W356 AromaticContact CZ-CZ3 3.95Å; F290-W356 HydrophobicContact CZ-CZ3 3.95Å; F290-F361 HydrophobicContact CD1-CE2 4.32Å; F290-F361 HydrophobicContact CG-CE2 4.32Å
291	V	98.6	Very high	96	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	119.7	174.8	-175.5	0	0	0	0	108.1	F256 I272 C280 K281 V293 I302 Y303 F312	F256-V291 HydrophobicContact CE1-CG2 3.96Å; F256-V291 HydrophobicContact CZ-CB 4.44Å; F256-V291 HydrophobicContact CZ-CG1 4.01Å; F256-V291 HydrophobicContact CZ-CG2 3.72Å; I272-V291 HydrophobicContact CD1-CB 4.12Å; I272-V291 HydrophobicContact CD1-CG1 4.15Å; I272-V291 HydrophobicContact CD1-CG2 4.3Å; C280-V291 HydrophobicContact CB-CG1 4.41Å; K281-V291 WeakPolarHBondContact O-CA 3.42Å; V291-V293 HydrophobicContact CG1-CG2 3.84Å; V291-I302 WeakPolarHBondContact O-CA 3.16Å; V291-Y303 PolarHBondContact N-O 3.39Å; V291-Y303 PolarHBondContact O-N 2.04Å; V291-F312 HydrophobicContact CG2-CD1 4.2Å; V291-F312 HydrophobicContact CG2-CE1 3.61Å; V291-F312 HydrophobicContact CG2-CZ 4.2Å
292	I	98.7	Very high	96	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	118.7	170	-53.4	104	0	0	0	107.8	K281 M283 I318 I329 T331 F340 I342	K281-I292 HydrophobicContact CB-CB 4.47Å; K281-I292 HydrophobicContact CB-CD1 4.43Å; K281-I292 PolarHBondContact N-O 3.39Å; K281-I292 PolarHBondContact O-N 2.88Å; M283-I292 HydrophobicContact CB-CD1 4.19Å; I292-I318 HydrophobicContact CG2-CD1 4.09Å; I292-I329 HydrophobicContact CB-CD1 4.09Å; I292-I329 HydrophobicContact CG2-CD1 3.58Å; I292-T331 HydrophobicContact CD1-CG2 4.29Å; I292-F340 HydrophobicContact CD1-CB 4.37Å; I292-F340 HydrophobicContact CD1-CD1 3.93Å; I292-F340 HydrophobicContact CD1-CE1 4.37Å; I292-F340 HydrophobicContact CD1-CG 4.14Å; I292-F340 HydrophobicContact CG1-CD1 3.93Å; I292-F340 HydrophobicContact CG1-CD2 4.49Å; I292-F340 HydrophobicContact CG1-CE1 3.87Å; I292-F340 HydrophobicContact CG1-CE2 4.49Å; I292-F340 HydrophobicContact CG1-CG 4.24Å; I292-F340 HydrophobicContact CG1-CZ 4.19Å; I292-F340 HydrophobicContact CG2-CE2 4.21Å; I292-F340 HydrophobicContact CG2-CZ 4.35Å; I292-I342 HydrophobicContact CG2-CD1 4.25Å
293	V	98.4	Very high	96	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	105.9	-178	-177.9	0	0	0	0	108.6	I272 S274 T277 V291 Q295 S300 H301 Y303	I272-V293 HydrophobicContact CD1-CG2 4.37Å; I272-V293 HydrophobicContact CG2-CG2 4.43Å; S274-V293 WeakPolarHBondContact OG-CG1 3.41Å; T277-V293 HydrophobicContact CG2-CG1 3.96Å; V291-V293 HydrophobicContact CG1-CG2 3.84Å; V293-Q295 HydrophobicContact CG1-CG 4.08Å; V293-S300 WeakPolarHBondContact O-CA 3.48Å; V293-S300 VanDerWaalsContact O-CB 3.29Å; V293-S300 WeakPolarHBondContact O-CB 3.27Å; V293-H301 PolarHBondContact N-O 3.31Å; V293-H301 PolarHBondContact O-N 3.37Å; V293-Y303 HydrophobicContact CB-CD2 4.29Å; V293-Y303 HydrophobicContact CB-CE2 4.17Å; V293-Y303 HydrophobicContact CG2-CD2 3.63Å; V293-Y303 HydrophobicContact CG2-CE2 3.86Å
294	A	97.9	Very high	96	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	126.8	176.2	0	0	0	0	0	111.1	T277 V278 V279 S300 P326 I329	T277-A294 WeakPolarHBondContact CA-O 3.41Å; V278-A294 PolarHBondContact N-O 2.84Å; V279-A294 HydrophobicContact CB-CB 4.26Å; V279-A294 PolarHBondContact O-N 3.35Å; A294-S300 WeakPolarHBondContact CA-OG 3.29Å; A294-P326 HydrophobicContact CB-CB 3.74Å; A294-P326 HydrophobicContact CB-CG 3.8Å; A294-I329 HydrophobicContact CB-CD1 3.52Å; A294-I329 HydrophobicContact CB-CG1 4.15Å
295	Q	96.4	Very high	96	Very high	9 Å²	9	38 Å²	38	4%	0.042	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	145	-178.7	-58.9	176.1	-97.7	0	0	111.5	S274 T275 V293 F297 G299 S300 H301 P326	S274-Q295 WeakPolarHBondContact OG-CG 3.4Å; S274-Q295 PolarHBondContact OG-NE2 2.8Å; S274-Q295 VanDerWaalsContact OG-NE2 3.16Å; T275-Q295 PolarHBondContact O-NE2 2.81Å; V293-Q295 HydrophobicContact CG1-CG 4.08Å; Q295-F297 WeakPolarHBondContact CB-O 3.42Å; Q295-G299 WeakPolarHBondContact CB-O 3.5Å; Q295-G299 PolarHBondContact OE1-O 2.8Å; Q295-G299 VanDerWaalsContact OE1-O 3.06Å; Q295-S300 PolarHBondContact N-OG 3.46Å; Q295-S300 VanDerWaalsContact N-OG 3.14Å; Q295-H301 PolarHBondContact OE1-CD2 2.79Å; Q295-P326 WeakPolarHBondContact O-CD 3.45Å; Q295-P326 WeakPolarHBondContact O-CG 3.18Å
296	L	95.4	Very high	96	Very high	77 Å²	77	40.1 Å²	40.1	40%	0.403	22%	0.218	S	C	.	.	S	Bend	trans	-79.3	-22.2	173.7	-65.7	176.6	0	0	0	113.2	S276 V278 K325	S276-L296 PolarHBondContact O-N 2.93Å; S276-L296 VanDerWaalsContact O-N 3.14Å; V278-L296 HydrophobicContact CG2-CD1 4.1Å; V278-L296 HydrophobicContact CG2-CD2 3.98Å; V278-L296 HydrophobicContact CG2-CG 3.59Å; L296-K325 HydrophobicContact CD2-CB 4.35Å
297	F	90.9	Very high	95.8	Very high	139 Å²	139	37.6 Å²	37.6	61%	0.61	21%	0.212	S	C	*	.	S	Bend	trans	-132.7	145.5	-178.9	-65	-84.3	0	0	0	109.7	S276 Q295 G299	S276-F297 WeakPolarHBondContact OG-CD2 3.11Å; Q295-F297 WeakPolarHBondContact CB-O 3.42Å; F297-G299 VanDerWaalsContact C-N 3.27Å; F297-G299 PolarHBondContact O-N 3.17Å
298	G	88.7	Confident	95.7	Very high	72 Å²	72	37.8 Å²	37.8	74%	0.742	22%	0.223	S	C	*	.	S	Bend	trans	84.1	-9.6	179	0	0	0	0	0	115.5
299	G	93.8	Very high	95.5	Very high	14 Å²	14	36.2 Å²	36.2	14%	0.144	22%	0.223	C	C	.	.			trans	89.7	162.8	-174.1	0	0	0	0	0	111.8	Q295 F297	Q295-G299 WeakPolarHBondContact CB-O 3.5Å; Q295-G299 PolarHBondContact OE1-O 2.8Å; Q295-G299 VanDerWaalsContact OE1-O 3.06Å; F297-G299 VanDerWaalsContact C-N 3.27Å; F297-G299 PolarHBondContact O-N 3.17Å
300	S	97.6	Very high	95.2	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.021	25%	0.251	C	S	.	.			trans	-95.4	154.1	177.9	-59.6	0	0	0	0	110.6	V293 A294 Q295 I318	V293-S300 WeakPolarHBondContact O-CA 3.48Å; V293-S300 VanDerWaalsContact O-CB 3.29Å; V293-S300 WeakPolarHBondContact O-CB 3.27Å; A294-S300 WeakPolarHBondContact CA-OG 3.29Å; Q295-S300 PolarHBondContact N-OG 3.46Å; Q295-S300 VanDerWaalsContact N-OG 3.14Å; S300-I318 VanDerWaalsContact O-CB 3.32Å; S300-I318 WeakPolarHBondContact O-CB 3.37Å; S300-I318 PolarHBondContact O-N 3.4Å
301	H	97.9	Very high	95	Very high	27 Å²	27	46.6 Å²	46.6	13%	0.125	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	158.4	-171.3	-54.8	-56.6	0	0	0	112.1	V293 Q295 Y303 K314 Q316 D317	V293-H301 PolarHBondContact N-O 3.31Å; V293-H301 PolarHBondContact O-N 3.37Å; Q295-H301 PolarHBondContact OE1-CD2 2.79Å; H301-Y303 HydrophobicContact CB-CD2 4.34Å; H301-Y303 HydrophobicContact CB-CE2 3.71Å; H301-K314 HydrophobicContact CB-CD 4.05Å; H301-K314 HydrophobicContact CB-CG 4.19Å; H301-Q316 WeakPolarHBondContact CA-O 3.3Å; H301-D317 IonicContact CE1-OD1 2.61Å; H301-D317 PolarHBondContact CE1-OD1 3.08Å; H301-D317 IonicContact CG-OD1 2.7Å; H301-D317 IonicContact ND1-OD1 3.71Å; H301-D317 PolarHBondContact ND1-OD1 3.39Å
302	I	98.5	Very high	94.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.3	173.4	-51.5	178.6	0	0	0	108.8	V291 I315 Q316 I318 F340 F361	V291-I302 WeakPolarHBondContact O-CA 3.16Å; I302-I315 HydrophobicContact CB-CG1 4.43Å; I302-I315 HydrophobicContact CG2-CD1 4.25Å; I302-I315 HydrophobicContact CG2-CG1 4.21Å; I302-I315 WeakPolarHBondContact O-CG1 3.45Å; I302-I315 PolarHBondContact O-N 3.4Å; I302-Q316 HydrophobicContact CB-CB 4.15Å; I302-Q316 HydrophobicContact CD1-CB 4.41Å; I302-Q316 HydrophobicContact CG1-CB 4.49Å; I302-Q316 PolarHBondContact N-O 2.62Å; I302-Q316 PolarHBondContact O-N 3.28Å; I302-I318 HydrophobicContact CD1-CG1 4.47Å; I302-I318 HydrophobicContact CG1-CD1 4.13Å; I302-I318 HydrophobicContact CG1-CG1 4.22Å; I302-F340 HydrophobicContact CD1-CE1 4.01Å; I302-F340 HydrophobicContact CD1-CZ 4Å; I302-F361 HydrophobicContact CD1-CB 3.76Å; I302-F361 HydrophobicContact CD1-CD2 3.71Å; I302-F361 HydrophobicContact CD1-CG 4.09Å; I302-F361 HydrophobicContact CG2-CD2 4.31Å; I302-F361 HydrophobicContact CG2-CE2 4.42Å
303	Y	98.4	Very high	94.8	Very high	31 Å²	31	50.5 Å²	50.5	12%	0.122	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	149.7	176.7	-68	-103.9	0	0	0	110.2	I272 F290 V291 V293 H301 F312 I313 K314	I272-Y303 HydrophobicContact CD1-CD1 4.28Å; I272-Y303 HydrophobicContact CD1-CD2 4.27Å; I272-Y303 HydrophobicContact CD1-CG 3.92Å; I272-Y303 HydrophobicContact CG1-CD1 4.44Å; I272-Y303 HydrophobicContact CG2-CD1 4.01Å; I272-Y303 HydrophobicContact CG2-CD2 4.07Å; I272-Y303 HydrophobicContact CG2-CE1 3.64Å; I272-Y303 HydrophobicContact CG2-CE2 3.72Å; I272-Y303 HydrophobicContact CG2-CG 4.22Å; F290-Y303 CarbonylContact C-O 3.48Å; F290-Y303 VanDerWaalsContact CA-O 3.23Å; F290-Y303 WeakPolarHBondContact CA-O 3.32Å; V291-Y303 PolarHBondContact N-O 3.39Å; V291-Y303 PolarHBondContact O-N 2.04Å; V293-Y303 HydrophobicContact CB-CD2 4.29Å; V293-Y303 HydrophobicContact CB-CE2 4.17Å; V293-Y303 HydrophobicContact CG2-CD2 3.63Å; V293-Y303 HydrophobicContact CG2-CE2 3.86Å; H301-Y303 HydrophobicContact CB-CD2 4.34Å; H301-Y303 HydrophobicContact CB-CE2 3.71Å; Y303-F312 HydrophobicContact CD1-CB 4.24Å; Y303-I313 CarbonylContact C-O 3.56Å; Y303-I313 VanDerWaalsContact CA-O 3.27Å; Y303-I313 WeakPolarHBondContact CA-O 3.49Å; Y303-K314 HydrophobicContact CD1-CB 4Å; Y303-K314 HydrophobicContact CE1-CB 3.69Å; Y303-K314 HydrophobicContact CE1-CG 4.29Å; Y303-K314 HydrophobicContact CE2-CG 4.46Å
304	K	97.7	Very high	94.8	Very high	64 Å²	64	55.1 Å²	55.1	28%	0.278	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.5	172.2	-179.2	178.8	175.4	173.1	0	109.5	L289 F290 D306 F312 I313 I315	L289-K304 WeakPolarHBondContact O-CA 3.34Å; F290-K304 HydrophobicContact CD1-CB 4.03Å; F290-K304 HydrophobicContact CD1-CG 4.16Å; F290-K304 HydrophobicContact CE1-CB 4.09Å; F290-K304 HydrophobicContact CE1-CD 3.83Å; F290-K304 HydrophobicContact CE1-CG 3.88Å; F290-K304 HydrophobicContact CZ-CD 4.24Å; F290-K304 HydrophobicContact CZ-CG 4.43Å; K304-D306 PolarHBondContact O-N 3.3Å; K304-F312 WeakPolarHBondContact O-CA 3.47Å; K304-I313 PolarHBondContact N-O 3.42Å; K304-I313 PolarHBondContact O-N 3.35Å; K304-I315 HydrophobicContact CB-CD1 4.03Å; K304-I315 HydrophobicContact CB-CG1 4.22Å; K304-I315 HydrophobicContact CB-CG2 3.72Å
305	R	96.4	Very high	94.7	Very high	10 Å²	10	58.4 Å²	58.4	4%	0.038	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	123.3	169.9	-177.6	60.2	178.7	-177.2	3	109.5	F238 Y269 D270 L289 N310 F312	F238-R305 HydrophobicContact CE1-CG 4.45Å; Y269-R305 PolarHBondContact OH-NE 2.87Å; Y269-R305 PolarHBondContact OH-NH2 2.94Å; D270-R305 IonicContact OD2-CZ 2.62Å; D270-R305 IonicContact OD2-NH1 3.58Å; D270-R305 PolarHBondContact OD2-NH1 2.86Å; L289-R305 HydrophobicContact CB-CB 3.78Å; L289-R305 HydrophobicContact CD2-CB 4.11Å; L289-R305 HydrophobicContact CD2-CG 4.48Å; L289-R305 HydrophobicContact CG-CB 4.2Å; L289-R305 PolarHBondContact O-N 3.14Å; R305-N310 VanDerWaalsContact CZ-C 3.48Å; R305-N310 VanDerWaalsContact NH2-CG 3.26Å; R305-N310 PolarHBondContact NH2-O 2.89Å; R305-N310 PolarHBondContact NH2-OD1 2.88Å; R305-F312 HydrophobicContact CB-CD1 4.21Å; R305-F312 HydrophobicContact CB-CE1 3.89Å
306	D	94.6	Very high	94.8	Very high	53 Å²	53	59.7 Å²	59.7	28%	0.283	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	110.3	168.3	-172.1	-38.8	0	0	0	108.8	K304 S308 A309 N310 K311 I313	K304-D306 PolarHBondContact O-N 3.3Å; D306-S308 VanDerWaalsContact C-N 3.31Å; D306-S308 WeakPolarHBondContact OD1-CA 3.24Å; D306-S308 WeakPolarHBondContact OD1-CB 3.35Å; D306-S308 PolarHBondContact OD1-N 2.85Å; D306-A309 HydrophobicContact CB-CB 4.17Å; D306-A309 PolarHBondContact OD1-N 3.39Å; D306-N310 WeakPolarHBondContact O-CA 3.3Å; D306-N310 PolarHBondContact O-N 2.66Å; D306-K311 PolarHBondContact N-O 3.07Å; D306-K311 PolarHBondContact O-N 3.46Å; D306-I313 HydrophobicContact CB-CD1 3.53Å; D306-I313 HydrophobicContact CB-CG1 4.04Å; D306-I313 WeakPolarHBondContact OD2-CD1 3.42Å
307	S	88.6	Confident	94.9	Very high	90 Å²	90	60.4 Å²	60.4	63%	0.629	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-27.7	-179.8	-51.9	0	0	0	0	112.9
308	S	91.3	Very high	95.2	Very high	122 Å²	122	54.2 Å²	54.2	85%	0.853	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-39.6	179.9	-57.2	0	0	0	0	111.3	D306	D306-S308 VanDerWaalsContact C-N 3.31Å; D306-S308 WeakPolarHBondContact OD1-CA 3.24Å; D306-S308 WeakPolarHBondContact OD1-CB 3.35Å; D306-S308 PolarHBondContact OD1-N 2.85Å
309	A	91.1	Very high	95.5	Very high	46 Å²	46	54.2 Å²	54.2	38%	0.38	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-3.4	177.6	0	0	0	0	0	113.5	D306 K311	D306-A309 HydrophobicContact CB-CB 4.17Å; D306-A309 PolarHBondContact OD1-N 3.39Å; A309-K311 HydrophobicContact CB-CD 3.98Å; A309-K311 HydrophobicContact CB-CG 3.83Å; A309-K311 PolarHBondContact O-N 2.8Å
310	N	89.6	Confident	95.4	Very high	110 Å²	110	58.5 Å²	58.5	59%	0.588	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	41.8	-176.9	-159.8	47.9	0	0	0	113.5	R305 D306	R305-N310 VanDerWaalsContact CZ-C 3.48Å; R305-N310 VanDerWaalsContact NH2-CG 3.26Å; R305-N310 PolarHBondContact NH2-O 2.89Å; R305-N310 PolarHBondContact NH2-OD1 2.88Å; D306-N310 WeakPolarHBondContact O-CA 3.3Å; D306-N310 PolarHBondContact O-N 2.66Å
311	K	94.1	Very high	95	Very high	111 Å²	111	63.8 Å²	63.8	48%	0.483	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	161	-175.5	71.2	-172.8	-177.2	-176.7	0	112.5	D306 A309 I313	D306-K311 PolarHBondContact N-O 3.07Å; D306-K311 PolarHBondContact O-N 3.46Å; A309-K311 HydrophobicContact CB-CD 3.98Å; A309-K311 HydrophobicContact CB-CG 3.83Å; A309-K311 PolarHBondContact O-N 2.8Å; K311-I313 HydrophobicContact CG-CG1 4.05Å
312	F	97.1	Very high	94.8	Very high	23 Å²	23	67.5 Å²	67.5	10%	0.101	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	132.8	166	-72	-77.9	0	0	0	111.5	F256 D270 I272 L289 V291 Y303 K304 R305	F256-F312 HydrophobicContact CD1-CE2 4.37Å; F256-F312 HydrophobicContact CD1-CZ 4.2Å; F256-F312 AromaticContact CD2-CE2 3.93Å; F256-F312 HydrophobicContact CD2-CE2 3.93Å; F256-F312 HydrophobicContact CD2-CZ 4.47Å; F256-F312 HydrophobicContact CE1-CE2 4.31Å; F256-F312 AromaticContact CE1-CZ 3.9Å; F256-F312 HydrophobicContact CE1-CZ 3.9Å; F256-F312 HydrophobicContact CE2-CD2 4.4Å; F256-F312 AromaticContact CE2-CE2 3.89Å; F256-F312 HydrophobicContact CE2-CE2 3.89Å; F256-F312 HydrophobicContact CE2-CZ 4.22Å; F256-F312 HydrophobicContact CG-CE2 4.2Å; F256-F312 HydrophobicContact CG-CZ 4.48Å; F256-F312 HydrophobicContact CZ-CE2 4.08Å; F256-F312 AromaticContact CZ-CZ 3.92Å; F256-F312 HydrophobicContact CZ-CZ 3.92Å; D270-F312 HydrophobicContact CB-CD2 4.3Å; D270-F312 HydrophobicContact CB-CE2 4.05Å; D270-F312 WeakPolarHBondContact OD2-CD2 3.27Å; I272-F312 HydrophobicContact CD1-CB 3.97Å; I272-F312 HydrophobicContact CD1-CD1 4.01Å; I272-F312 HydrophobicContact CD1-CD2 4.07Å; I272-F312 HydrophobicContact CD1-CG 3.75Å; I272-F312 HydrophobicContact CG1-CB 3.74Å; I272-F312 HydrophobicContact CG1-CD2 3.82Å; I272-F312 HydrophobicContact CG1-CG 3.79Å; L289-F312 HydrophobicContact CD2-CE1 3.86Å; L289-F312 HydrophobicContact CD2-CZ 3.84Å; L289-F312 HydrophobicContact CG-CE1 4.24Å; V291-F312 HydrophobicContact CG2-CD1 4.2Å; V291-F312 HydrophobicContact CG2-CE1 3.61Å; V291-F312 HydrophobicContact CG2-CZ 4.2Å; Y303-F312 HydrophobicContact CD1-CB 4.24Å; K304-F312 WeakPolarHBondContact O-CA 3.47Å; R305-F312 HydrophobicContact CB-CD1 4.21Å; R305-F312 HydrophobicContact CB-CE1 3.89Å
313	I	96.7	Very high	94.7	Very high	60 Å²	60	67.8 Å²	67.8	31%	0.308	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.8	178.7	-54.8	-178.5	0	0	0	108.3	Y303 K304 D306 K311 I315	Y303-I313 CarbonylContact C-O 3.56Å; Y303-I313 VanDerWaalsContact CA-O 3.27Å; Y303-I313 WeakPolarHBondContact CA-O 3.49Å; K304-I313 PolarHBondContact N-O 3.42Å; K304-I313 PolarHBondContact O-N 3.35Å; D306-I313 HydrophobicContact CB-CD1 3.53Å; D306-I313 HydrophobicContact CB-CG1 4.04Å; D306-I313 WeakPolarHBondContact OD2-CD1 3.42Å; K311-I313 HydrophobicContact CG-CG1 4.05Å; I313-I315 PolarHBondContact O-N 2.87Å
314	K	97.4	Very high	94.6	Very high	97 Å²	97	72 Å²	72	42%	0.422	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	118.7	170.9	-168.7	-175.7	77.7	156	0	108.6	H301 Y303 D317	H301-K314 HydrophobicContact CB-CD 4.05Å; H301-K314 HydrophobicContact CB-CG 4.19Å; Y303-K314 HydrophobicContact CD1-CB 4Å; Y303-K314 HydrophobicContact CE1-CB 3.69Å; Y303-K314 HydrophobicContact CE1-CG 4.29Å; Y303-K314 HydrophobicContact CE2-CG 4.46Å; K314-D317 IonicContact NZ-OD1 3.22Å; K314-D317 PolarHBondContact NZ-OD1 2.77Å; K314-D317 IonicContact NZ-OD2 2.84Å; K314-D317 PolarHBondContact NZ-OD2 3.39Å
315	I	97.4	Very high	94.6	Very high	69 Å²	69	74.4 Å²	74.4	35%	0.354	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-22.1	-178.5	57.8	158.1	0	0	0	113.2	F290 I302 K304 I313	F290-I315 HydrophobicContact CD1-CD1 3.85Å; F290-I315 HydrophobicContact CE1-CD1 3.74Å; I302-I315 HydrophobicContact CB-CG1 4.43Å; I302-I315 HydrophobicContact CG2-CD1 4.25Å; I302-I315 HydrophobicContact CG2-CG1 4.21Å; I302-I315 WeakPolarHBondContact O-CG1 3.45Å; I302-I315 PolarHBondContact O-N 3.4Å; K304-I315 HydrophobicContact CB-CD1 4.03Å; K304-I315 HydrophobicContact CB-CG1 4.22Å; K304-I315 HydrophobicContact CB-CG2 3.72Å; I313-I315 PolarHBondContact O-N 2.87Å
316	Q	98.3	Very high	94.7	Very high	36 Å²	36	74 Å²	74	17%	0.168	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	142.4	-174.8	-169.9	175	-1.1	0	0	112.3	H301 I302 F361	H301-Q316 WeakPolarHBondContact CA-O 3.3Å; I302-Q316 HydrophobicContact CB-CB 4.15Å; I302-Q316 HydrophobicContact CD1-CB 4.41Å; I302-Q316 HydrophobicContact CG1-CB 4.49Å; I302-Q316 PolarHBondContact N-O 2.62Å; I302-Q316 PolarHBondContact O-N 3.28Å; Q316-F361 PolarHBondContact NE2-O 3.06Å; Q316-F361 PolarHBondContact OE1-O 3.34Å
317	D	97.6	Very high	94.9	Very high	91 Å²	91	74 Å²	74	49%	0.487	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	139.2	168.9	-64.9	-62.8	0	0	0	110.3	H301 K314	H301-D317 IonicContact CE1-OD1 2.61Å; H301-D317 PolarHBondContact CE1-OD1 3.08Å; H301-D317 IonicContact CG-OD1 2.7Å; H301-D317 IonicContact ND1-OD1 3.71Å; H301-D317 PolarHBondContact ND1-OD1 3.39Å; K314-D317 IonicContact NZ-OD1 3.22Å; K314-D317 PolarHBondContact NZ-OD1 2.77Å; K314-D317 IonicContact NZ-OD2 2.84Å; K314-D317 PolarHBondContact NZ-OD2 3.39Å
318	I	97.4	Very high	95.3	Very high	9 Å²	9	70.5 Å²	70.5	5%	0.046	36%	0.355	C	S	.	.			trans	-90.4	135.6	173.7	-63.6	173.2	0	0	0	108.7	I292 S300 I302 I320 I323 I342 Y354	I292-I318 HydrophobicContact CG2-CD1 4.09Å; S300-I318 VanDerWaalsContact O-CB 3.32Å; S300-I318 WeakPolarHBondContact O-CB 3.37Å; S300-I318 PolarHBondContact O-N 3.4Å; I302-I318 HydrophobicContact CD1-CG1 4.47Å; I302-I318 HydrophobicContact CG1-CD1 4.13Å; I302-I318 HydrophobicContact CG1-CG1 4.22Å; I318-I320 PolarHBondContact O-N 2.86Å; I318-I323 HydrophobicContact CG2-CB 4.09Å; I318-I323 HydrophobicContact CG2-CG1 3.91Å; I318-I342 HydrophobicContact CD1-CD1 3.76Å; I318-Y354 HydrophobicContact CG2-CE1 4.42Å; I318-Y354 WeakPolarHBondContact CG2-OH 3.12Å
319	D	93.7	Very high	95.7	Very high	72 Å²	72	64.7 Å²	64.7	39%	0.385	32%	0.315	S	S	.	.			trans	-57.9	109.6	-178.7	-178.9	-0	0	0	0	112.1	L321 R322 I323	D319-L321 PolarHBondContact O-N 3Å; D319-L321 WeakPolarHBondContact OD1-CB 3.44Å; D319-L321 PolarHBondContact OD1-N 3.49Å; D319-R322 HydrophobicContact CB-CB 4.36Å; D319-R322 HydrophobicContact CB-CG 4.38Å; D319-R322 PolarHBondContact O-N 2.81Å; D319-R322 VanDerWaalsContact O-N 3.1Å; D319-R322 WeakPolarHBondContact OD2-CG 3.24Å; D319-R322 IonicContact OD2-NE 3.08Å; D319-I323 PolarHBondContact O-N 2.83Å
320	I	91.8	Very high	96	Very high	104 Å²	104	64 Å²	64	53%	0.533	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.7	-179.3	63.4	170.7	0	0	0	113.6	I318 I323 R324	I318-I320 PolarHBondContact O-N 2.86Å; I320-I323 CarbonylContact C-O 3.13Å; I320-I323 WeakPolarHBondContact CA-O 3.3Å; I320-R324 VanDerWaalsContact O-CG 3.27Å; I320-R324 WeakPolarHBondContact O-CG 3.44Å
321	L	89.6	Confident	96.5	Very high	115 Å²	115	60.4 Å²	60.4	60%	0.602	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-28.6	177.5	-62.8	178.9	0	0	0	111	D319	D319-L321 PolarHBondContact O-N 3Å; D319-L321 WeakPolarHBondContact OD1-CB 3.44Å; D319-L321 PolarHBondContact OD1-N 3.49Å
322	R	93.3	Very high	96.7	Very high	105 Å²	105	55.6 Å²	55.6	40%	0.396	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-46.3	177.7	-70.7	179.4	-179.4	-119.6	3.8	112.7	D319 G349 S350 S363	D319-R322 HydrophobicContact CB-CB 4.36Å; D319-R322 HydrophobicContact CB-CG 4.38Å; D319-R322 PolarHBondContact O-N 2.81Å; D319-R322 VanDerWaalsContact O-N 3.1Å; D319-R322 WeakPolarHBondContact OD2-CG 3.24Å; D319-R322 IonicContact OD2-NE 3.08Å; R322-G349 CarbonylContact O-C 3.58Å; R322-G349 WeakPolarHBondContact O-CA 3.47Å; R322-S350 PolarHBondContact O-N 2.94Å; R322-S363 PolarHBondContact NH1-OG 3.19Å
323	I	97.4	Very high	96.7	Very high	6 Å²	6	58.4 Å²	58.4	3%	0.031	28%	0.284	C	S	.	.			trans	-111.9	113.2	178.9	-57.7	-60.2	0	0	0	108.7	I318 D319 I320 P326 I342 D344 S350 Y354	I318-I323 HydrophobicContact CG2-CB 4.09Å; I318-I323 HydrophobicContact CG2-CG1 3.91Å; D319-I323 PolarHBondContact O-N 2.83Å; I320-I323 CarbonylContact C-O 3.13Å; I320-I323 WeakPolarHBondContact CA-O 3.3Å; I323-P326 HydrophobicContact CG2-CB 3.91Å; I323-P326 HydrophobicContact CG2-CG 4.16Å; I323-I342 HydrophobicContact CD1-CB 4.05Å; I323-I342 HydrophobicContact CD1-CG2 4.14Å; I323-I342 HydrophobicContact CG2-CG2 4Å; I323-D344 WeakPolarHBondContact CA-OD2 3.5Å; I323-S350 WeakPolarHBondContact CD1-O 3.37Å; I323-Y354 HydrophobicContact CG1-CE2 4.45Å; I323-Y354 WeakPolarHBondContact CG1-OH 3.33Å
324	R	96	Very high	96.7	Very high	118 Å²	118	55.8 Å²	55.8	45%	0.445	27%	0.27	S	S	.	.	S	Bend	trans	-116.7	-43.5	-175.9	-66.5	-176.7	179.9	-149.2	-1.5	112.8	I320 D344	I320-R324 VanDerWaalsContact O-CG 3.27Å; I320-R324 WeakPolarHBondContact O-CG 3.44Å; R324-D344 PolarHBondContact N-OD2 2.91Å
325	K	97.6	Very high	96.6	Very high	116 Å²	116	55.8 Å²	55.8	50%	0.504	28%	0.275	S	S	.	.	S	Bend	trans	-132.9	68.8	-179.2	-65.7	-167.6	175.4	-168.8	0	110.3	L296 N327 D344 S345	L296-K325 HydrophobicContact CD2-CB 4.35Å; K325-N327 PolarHBondContact O-N 2.96Å; K325-D344 PolarHBondContact N-OD1 2.87Å; K325-D344 PolarHBondContact N-OD2 3.44Å; K325-S345 VanDerWaalsContact CB-OG 3.29Å; K325-S345 WeakPolarHBondContact CB-OG 3.32Å; K325-S345 PolarHBondContact O-N 3.33Å; K325-S345 PolarHBondContact O-OG 3.03Å
326	P	98	Very high	96.4	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	135.7	179.3	30.1	-36.8	0	0	0	109.9	A294 Q295 I323 I342 A343	A294-P326 HydrophobicContact CB-CB 3.74Å; A294-P326 HydrophobicContact CB-CG 3.8Å; Q295-P326 WeakPolarHBondContact O-CD 3.45Å; Q295-P326 WeakPolarHBondContact O-CG 3.18Å; I323-P326 HydrophobicContact CG2-CB 3.91Å; I323-P326 HydrophobicContact CG2-CG 4.16Å; P326-I342 HydrophobicContact CB-CG2 3.55Å; P326-A343 WeakPolarHBondContact CA-O 3.41Å
327	N	97.9	Very high	96.3	Very high	52 Å²	52	56.5 Å²	56.5	28%	0.278	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	-30.6	178.2	-159.7	72.8	0	0	0	113	K325 A343 T374	K325-N327 PolarHBondContact O-N 2.96Å; N327-A343 PolarHBondContact N-O 2.85Å; N327-T374 PolarHBondContact ND2-O 3.2Å
328	D	98.6	Very high	96.4	Very high	17 Å²	17	53 Å²	53	9%	0.091	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	153.3	-178.1	-178.2	41.3	0	0	0	111.3	I342 A343 V376	D328-I342 WeakPolarHBondContact O-CA 3.25Å; D328-A343 HydrophobicContact CB-CB 4.13Å; D328-A343 PolarHBondContact O-N 2.69Å; D328-V376 WeakPolarHBondContact OD2-CG1 3.21Å; D328-V376 PolarHBondContact OD2-N 2.81Å
329	I	98.8	Very high	96.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	129.6	175.4	-52.6	178.4	0	0	0	109.3	V279 K281 I292 A294 F340 V341 I342	V279-I329 HydrophobicContact CB-CD1 4.02Å; V279-I329 HydrophobicContact CB-CG1 4.06Å; V279-I329 HydrophobicContact CG1-CB 4.05Å; V279-I329 HydrophobicContact CG1-CD1 4.09Å; V279-I329 HydrophobicContact CG1-CG1 4.06Å; K281-I329 HydrophobicContact CB-CB 3.97Å; K281-I329 HydrophobicContact CB-CD1 4.34Å; K281-I329 HydrophobicContact CB-CG2 3.81Å; K281-I329 VanDerWaalsContact CD-O 3.3Å; K281-I329 WeakPolarHBondContact CD-O 3.27Å; K281-I329 WeakPolarHBondContact CE-O 3.38Å; K281-I329 HydrophobicContact CG-CB 4.22Å; K281-I329 HydrophobicContact CG-CG2 3.92Å; K281-I329 PolarHBondContact NZ-O 3.16Å; I292-I329 HydrophobicContact CB-CD1 4.09Å; I292-I329 HydrophobicContact CG2-CD1 3.58Å; A294-I329 HydrophobicContact CB-CD1 3.52Å; A294-I329 HydrophobicContact CB-CG1 4.15Å; I329-F340 HydrophobicContact CG2-CB 4.47Å; I329-F340 HydrophobicContact CG2-CD2 4.37Å; I329-V341 VanDerWaalsContact CA-O 3.31Å; I329-V341 WeakPolarHBondContact CA-O 3.2Å; I329-I342 HydrophobicContact CD1-CG1 4.49Å; I329-I342 HydrophobicContact CG1-CG1 4.14Å; I329-I342 HydrophobicContact CG1-CG2 4.46Å; I329-I342 HydrophobicContact CG2-CG1 4.46Å
330	E	98.5	Very high	96.7	Very high	31 Å²	31	49.1 Å²	49.1	15%	0.145	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	143.2	173.5	-160.2	47.7	-112.3	0	0	111.7	K281 F340 V341 V376	K281-E330 IonicContact NZ-OE1 3.8Å; K281-E330 IonicContact NZ-OE2 2.73Å; K281-E330 PolarHBondContact NZ-OE2 2.83Å; E330-F340 CarbonylContact O-C 2.85Å; E330-F340 WeakPolarHBondContact O-CA 3.24Å; E330-F340 WeakPolarHBondContact O-CB 3.41Å; E330-V341 HydrophobicContact CB-CG1 3.9Å; E330-V341 PolarHBondContact N-O 3.03Å; E330-V341 PolarHBondContact O-N 2.83Å; E330-V376 HydrophobicContact CB-CG1 4.11Å; E330-V376 WeakPolarHBondContact CB-O 3.23Å
331	T	98.4	Very high	97	Very high	36 Å²	36	44.1 Å²	44.1	22%	0.221	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	139.3	-177.2	56	0	0	0	0	110.2	K281 M283 I292 F340	K281-T331 HydrophobicContact CG-CG2 3.73Å; M283-T331 HydrophobicContact CB-CG2 4.33Å; M283-T331 HydrophobicContact CG-CG2 4.34Å; M283-T331 HydrophobicContact SD-CG2 4.26Å; I292-T331 HydrophobicContact CD1-CG2 4.29Å; T331-F340 HydrophobicContact CG2-CB 3.97Å
332	F	98.2	Very high	97.4	Very high	10 Å²	10	38.7 Å²	38.7	4%	0.044	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	160.7	-178.9	52.2	-90.8	0	0	0	112.2	I334 F339 V341 V353 Y378 L387 F408	F332-I334 HydrophobicContact CD2-CD1 3.76Å; F332-I334 HydrophobicContact CD2-CG1 3.96Å; F332-I334 HydrophobicContact CE2-CD1 3.74Å; F332-I334 HydrophobicContact CE2-CG1 4.41Å; F332-F339 HydrophobicContact CD2-CB 3.76Å; F332-F339 HydrophobicContact CD2-CD2 4.21Å; F332-F339 HydrophobicContact CD2-CG 4.3Å; F332-F339 HydrophobicContact CE1-CB 4.38Å; F332-F339 HydrophobicContact CE2-CB 3.36Å; F332-F339 HydrophobicContact CE2-CD2 4.03Å; F332-F339 AromaticContact CE2-CG 3.8Å; F332-F339 HydrophobicContact CE2-CG 3.8Å; F332-F339 HydrophobicContact CG-CB 4.44Å; F332-F339 HydrophobicContact CZ-CB 3.71Å; F332-F339 HydrophobicContact CZ-CG 4.46Å; F332-F339 PolarHBondContact N-O 3.29Å; F332-F339 PolarHBondContact O-N 3.39Å; F332-F339 VanDerWaalsContact O-O 3.07Å; F332-V341 HydrophobicContact CE1-CB 4.1Å; F332-V341 HydrophobicContact CE1-CG1 3.72Å; F332-V353 HydrophobicContact CZ-CG1 4.06Å; F332-Y378 HydrophobicContact CB-CD1 3.68Å; F332-Y378 HydrophobicContact CB-CD2 3.49Å; F332-Y378 VanDerWaalsContact CB-CD2 3.49Å; F332-Y378 HydrophobicContact CB-CE1 3.91Å; F332-Y378 HydrophobicContact CB-CE2 3.69Å; F332-Y378 HydrophobicContact CB-CG 3.48Å; F332-Y378 VanDerWaalsContact CB-CG 3.48Å; F332-Y378 AromaticContact CD1-CD2 3.8Å; F332-Y378 HydrophobicContact CD1-CD2 3.8Å; F332-Y378 HydrophobicContact CD1-CG 4.03Å; F332-Y378 AromaticContact CD2-CD2 3.85Å; F332-Y378 HydrophobicContact CD2-CD2 3.85Å; F332-Y378 AromaticContact CD2-CE2 3.83Å; F332-Y378 HydrophobicContact CD2-CE2 3.83Å; F332-Y378 HydrophobicContact CE1-CD2 4.49Å; F332-Y378 AromaticContact CG-CD2 3.43Å; F332-Y378 HydrophobicContact CG-CD2 3.43Å; F332-Y378 VanDerWaalsContact CG-CD2 3.43Å; F332-Y378 AromaticContact CG-CE2 3.79Å; F332-Y378 HydrophobicContact CG-CE2 3.79Å; F332-Y378 AromaticContact CG-CG 3.83Å; F332-Y378 HydrophobicContact CG-CG 3.83Å; F332-L387 HydrophobicContact CD1-CD2 4.34Å; F332-L387 HydrophobicContact CE1-CD2 3.88Å; F332-L387 HydrophobicContact CZ-CD1 4.33Å; F332-L387 HydrophobicContact CZ-CD2 4.31Å; F332-F408 AromaticContact CE2-CE2 3.93Å; F332-F408 HydrophobicContact CE2-CE2 3.93Å; F332-F408 HydrophobicContact CE2-CZ 4.02Å; F332-F408 AromaticContact CZ-CE2 3.94Å; F332-F408 HydrophobicContact CZ-CE2 3.94Å; F332-F408 HydrophobicContact CZ-CZ 4.23Å
333	V	97.7	Very high	97.7	Very high	81 Å²	81	33.7 Å²	33.7	49%	0.491	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	128.7	177.6	179.1	0	0	0	0	108.6	E337	V333-E337 WeakPolarHBondContact CA-O 3.49Å
334	I	97.7	Very high	97.7	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	125	176.8	-60.5	169.8	0	0	0	108.4	F332 G336 E337 F339 Y378 P385 W401 F408	F332-I334 HydrophobicContact CD2-CD1 3.76Å; F332-I334 HydrophobicContact CD2-CG1 3.96Å; F332-I334 HydrophobicContact CE2-CD1 3.74Å; F332-I334 HydrophobicContact CE2-CG1 4.41Å; I334-G336 PolarHBondContact O-N 2.93Å; I334-G336 VanDerWaalsContact O-N 3.15Å; I334-E337 PolarHBondContact N-O 3.42Å; I334-E337 WeakPolarHBondContact O-CB 2.93Å; I334-E337 PolarHBondContact O-N 2.73Å; I334-F339 HydrophobicContact CB-CD2 4.47Å; I334-F339 HydrophobicContact CB-CE2 4.09Å; I334-Y378 HydrophobicContact CD1-CE2 4.26Å; I334-Y378 HydrophobicContact CG1-CE2 4.29Å; I334-P385 HydrophobicContact CD1-CB 3.69Å; I334-P385 HydrophobicContact CD1-CG 4.07Å; I334-P385 HydrophobicContact CG1-CB 3.94Å; I334-P385 HydrophobicContact CG1-CG 3.91Å; I334-P385 HydrophobicContact CG2-CG 3.9Å; I334-W401 HydrophobicContact CD1-CD2 3.94Å; I334-W401 HydrophobicContact CD1-CE3 3.94Å; I334-W401 HydrophobicContact CD1-CG 4.28Å; I334-W401 HydrophobicContact CD1-CZ3 4.29Å; I334-W401 HydrophobicContact CG2-CD2 4.26Å; I334-W401 HydrophobicContact CG2-CG 4.33Å; I334-W401 HydrophobicContact CG2-CZ2 4.12Å; I334-F408 HydrophobicContact CD1-CE2 4.29Å; I334-F408 HydrophobicContact CD1-CZ 3.73Å
335	D	94.3	Very high	97.8	Very high	98 Å²	98	29.1 Å²	29.1	52%	0.524	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	36.5	178.5	-56.9	-39.6	0	0	0	112.9	E337	D335-E337 VanDerWaalsContact C-N 3.27Å; D335-E337 PolarHBondContact O-N 2.78Å
336	G	94	Very high	97.8	Very high	69 Å²	69	24.2 Å²	24.2	71%	0.711	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.7	-0.6	-177.9	0	0	0	0	0	115.2	I334	I334-G336 PolarHBondContact O-N 2.93Å; I334-G336 VanDerWaalsContact O-N 3.15Å
337	E	96.4	Very high	97.8	Very high	51 Å²	51	29.5 Å²	29.5	24%	0.238	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	132.4	177	-54.3	-169.4	115.5	0	0	110.2	V333 I334 D335 F339 K355 K406	V333-E337 WeakPolarHBondContact CA-O 3.49Å; I334-E337 PolarHBondContact N-O 3.42Å; I334-E337 WeakPolarHBondContact O-CB 2.93Å; I334-E337 PolarHBondContact O-N 2.73Å; D335-E337 VanDerWaalsContact C-N 3.27Å; D335-E337 PolarHBondContact O-N 2.78Å; E337-F339 HydrophobicContact CB-CD2 4.46Å; E337-F339 HydrophobicContact CB-CE2 3.55Å; E337-F339 HydrophobicContact CB-CZ 3.86Å; E337-F339 WeakPolarHBondContact O-CD2 3.49Å; E337-F339 WeakPolarHBondContact O-CE2 3.35Å; E337-K355 VanDerWaalsContact OE1-CE 3.22Å; E337-K355 WeakPolarHBondContact OE1-CE 3.47Å; E337-K355 IonicContact OE1-NZ 3.61Å; E337-K355 PolarHBondContact OE1-NZ 3.19Å; E337-K355 IonicContact OE2-NZ 3.71Å; E337-K355 PolarHBondContact OE2-NZ 2.84Å; E337-K355 VanDerWaalsContact OE2-NZ 3.08Å; E337-K406 IonicContact OE1-NZ 3.61Å; E337-K406 IonicContact OE2-NZ 2.88Å; E337-K406 PolarHBondContact OE2-NZ 2.96Å
338	S	98.1	Very high	97.7	Very high	16 Å²	16	29.6 Å²	29.6	11%	0.112	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	131.2	-178.1	-74.2	0	0	0	0	112	W356	S338-W356 WeakPolarHBondContact O-CB 3.32Å; S338-W356 PolarHBondContact O-N 3.05Å
339	F	98.7	Very high	97.5	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	157.9	179.8	-58.2	-94.5	0	0	0	111.8	F332 I334 E337 V353 Y354 K355 H364 W401	F332-F339 HydrophobicContact CD2-CB 3.76Å; F332-F339 HydrophobicContact CD2-CD2 4.21Å; F332-F339 HydrophobicContact CD2-CG 4.3Å; F332-F339 HydrophobicContact CE1-CB 4.38Å; F332-F339 HydrophobicContact CE2-CB 3.36Å; F332-F339 HydrophobicContact CE2-CD2 4.03Å; F332-F339 AromaticContact CE2-CG 3.8Å; F332-F339 HydrophobicContact CE2-CG 3.8Å; F332-F339 HydrophobicContact CG-CB 4.44Å; F332-F339 HydrophobicContact CZ-CB 3.71Å; F332-F339 HydrophobicContact CZ-CG 4.46Å; F332-F339 PolarHBondContact N-O 3.29Å; F332-F339 PolarHBondContact O-N 3.39Å; F332-F339 VanDerWaalsContact O-O 3.07Å; I334-F339 HydrophobicContact CB-CD2 4.47Å; I334-F339 HydrophobicContact CB-CE2 4.09Å; E337-F339 HydrophobicContact CB-CD2 4.46Å; E337-F339 HydrophobicContact CB-CE2 3.55Å; E337-F339 HydrophobicContact CB-CZ 3.86Å; E337-F339 WeakPolarHBondContact O-CD2 3.49Å; E337-F339 WeakPolarHBondContact O-CE2 3.35Å; F339-V353 HydrophobicContact CB-CG1 4.4Å; F339-V353 HydrophobicContact CD1-CG1 3.94Å; F339-Y354 WeakPolarHBondContact CA-O 3.38Å; F339-Y354 WeakPolarHBondContact CB-O 3.31Å; F339-K355 HydrophobicContact CD1-CB 3.72Å; F339-K355 HydrophobicContact CD1-CG 4.01Å; F339-K355 HydrophobicContact CE1-CB 3.62Å; F339-K355 HydrophobicContact CE1-CD 3.69Å; F339-K355 HydrophobicContact CE1-CG 3.56Å; F339-K355 HydrophobicContact CZ-CD 4.04Å; F339-K355 HydrophobicContact CZ-CG 4.11Å; F339-H364 AromaticContact CE1-CD2 3.95Å; F339-W401 HydrophobicContact CE1-CH2 4.41Å; F339-W401 HydrophobicContact CZ-CH2 4.02Å
340	F	98.8	Very high	97.4	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	161.5	158.4	69.6	-100.7	0	0	0	109.9	I292 I302 I329 E330 T331 I342 V353 Y354 F361	I292-F340 HydrophobicContact CD1-CB 4.37Å; I292-F340 HydrophobicContact CD1-CD1 3.93Å; I292-F340 HydrophobicContact CD1-CE1 4.37Å; I292-F340 HydrophobicContact CD1-CG 4.14Å; I292-F340 HydrophobicContact CG1-CD1 3.93Å; I292-F340 HydrophobicContact CG1-CD2 4.49Å; I292-F340 HydrophobicContact CG1-CE1 3.87Å; I292-F340 HydrophobicContact CG1-CE2 4.49Å; I292-F340 HydrophobicContact CG1-CG 4.24Å; I292-F340 HydrophobicContact CG1-CZ 4.19Å; I292-F340 HydrophobicContact CG2-CE2 4.21Å; I292-F340 HydrophobicContact CG2-CZ 4.35Å; I302-F340 HydrophobicContact CD1-CE1 4.01Å; I302-F340 HydrophobicContact CD1-CZ 4Å; I329-F340 HydrophobicContact CG2-CB 4.47Å; I329-F340 HydrophobicContact CG2-CD2 4.37Å; E330-F340 CarbonylContact O-C 2.85Å; E330-F340 WeakPolarHBondContact O-CA 3.24Å; E330-F340 WeakPolarHBondContact O-CB 3.41Å; T331-F340 HydrophobicContact CG2-CB 3.97Å; F340-I342 HydrophobicContact CD2-CD1 4.35Å; F340-I342 HydrophobicContact CD2-CG1 3.87Å; F340-I342 HydrophobicContact CE2-CD1 3.73Å; F340-I342 HydrophobicContact CE2-CG1 3.72Å; F340-V353 CarbonylContact O-C 3.32Å; F340-V353 WeakPolarHBondContact O-CA 3.02Å; F340-Y354 AromaticContact CD2-CD2 3.94Å; F340-Y354 HydrophobicContact CD2-CD2 3.94Å; F340-Y354 HydrophobicContact CD2-CG 4.32Å; F340-Y354 HydrophobicContact CE1-CG 4.24Å; F340-Y354 HydrophobicContact CE2-CD1 4.42Å; F340-Y354 AromaticContact CE2-CD2 3.25Å; F340-Y354 HydrophobicContact CE2-CD2 3.25Å; F340-Y354 AromaticContact CE2-CE2 3.99Å; F340-Y354 HydrophobicContact CE2-CE2 3.99Å; F340-Y354 AromaticContact CE2-CG 3.53Å; F340-Y354 HydrophobicContact CE2-CG 3.53Å; F340-Y354 VanDerWaalsContact CZ-CB 3.44Å; F340-Y354 HydrophobicContact CZ-CD1 4.08Å; F340-Y354 AromaticContact CZ-CD2 3.74Å; F340-Y354 HydrophobicContact CZ-CD2 3.74Å; F340-Y354 AromaticContact CZ-CG 3.48Å; F340-Y354 HydrophobicContact CZ-CG 3.48Å; F340-Y354 VanDerWaalsContact CZ-CG 3.48Å; F340-Y354 PolarHBondContact N-O 2.83Å; F340-Y354 VanDerWaalsContact N-O 3.09Å; F340-Y354 PolarHBondContact O-N 3.41Å; F340-F361 HydrophobicContact CD1-CB 4.47Å; F340-F361 AromaticContact CD1-CD1 3.6Å; F340-F361 HydrophobicContact CD1-CD1 3.6Å; F340-F361 AromaticContact CD1-CE1 3.86Å; F340-F361 HydrophobicContact CD1-CE1 3.86Å; F340-F361 HydrophobicContact CD1-CG 4.06Å; F340-F361 HydrophobicContact CE1-CB 3.51Å; F340-F361 AromaticContact CE1-CD1 3.46Å; F340-F361 HydrophobicContact CE1-CD1 3.46Å; F340-F361 VanDerWaalsContact CE1-CD1 3.46Å; F340-F361 HydrophobicContact CE1-CD2 4.07Å; F340-F361 HydrophobicContact CE1-CE1 4.09Å; F340-F361 AromaticContact CE1-CG 3.43Å; F340-F361 HydrophobicContact CE1-CG 3.43Å; F340-F361 VanDerWaalsContact CE1-CG 3.43Å; F340-F361 HydrophobicContact CZ-CB 4.11Å; F340-F361 HydrophobicContact CZ-CG 4.45Å
341	V	98.9	Very high	97.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	139.5	176	57.8	0	0	0	0	109.1	I329 E330 F332 T351 T352 V353 V376 L387	I329-V341 VanDerWaalsContact CA-O 3.31Å; I329-V341 WeakPolarHBondContact CA-O 3.2Å; E330-V341 HydrophobicContact CB-CG1 3.9Å; E330-V341 PolarHBondContact N-O 3.03Å; E330-V341 PolarHBondContact O-N 2.83Å; F332-V341 HydrophobicContact CE1-CB 4.1Å; F332-V341 HydrophobicContact CE1-CG1 3.72Å; V341-T351 HydrophobicContact CG2-CG2 3.7Å; V341-T352 WeakPolarHBondContact CA-O 3.34Å; V341-V353 HydrophobicContact CB-CG2 4.24Å; V341-V353 HydrophobicContact CG2-CG2 4.04Å; V341-V376 HydrophobicContact CB-CG2 4.34Å; V341-V376 HydrophobicContact CG1-CB 4.15Å; V341-V376 HydrophobicContact CG1-CG1 3.65Å; V341-V376 HydrophobicContact CG1-CG2 3.38Å; V341-V376 HydrophobicContact CG2-CG1 4.38Å; V341-V376 HydrophobicContact CG2-CG2 4.01Å; V341-L387 HydrophobicContact CG1-CD2 4.36Å
342	I	98.8	Very high	97.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	120	174.8	-55.6	-174.5	0	0	0	107.9	I292 I318 I323 P326 D328 I329 F340 T351 T352 Y354	I292-I342 HydrophobicContact CG2-CD1 4.25Å; I318-I342 HydrophobicContact CD1-CD1 3.76Å; I323-I342 HydrophobicContact CD1-CB 4.05Å; I323-I342 HydrophobicContact CD1-CG2 4.14Å; I323-I342 HydrophobicContact CG2-CG2 4Å; P326-I342 HydrophobicContact CB-CG2 3.55Å; D328-I342 WeakPolarHBondContact O-CA 3.25Å; I329-I342 HydrophobicContact CD1-CG1 4.49Å; I329-I342 HydrophobicContact CG1-CG1 4.14Å; I329-I342 HydrophobicContact CG1-CG2 4.46Å; I329-I342 HydrophobicContact CG2-CG1 4.46Å; F340-I342 HydrophobicContact CD2-CD1 4.35Å; F340-I342 HydrophobicContact CD2-CG1 3.87Å; F340-I342 HydrophobicContact CE2-CD1 3.73Å; F340-I342 HydrophobicContact CE2-CG1 3.72Å; I342-T351 VanDerWaalsContact O-CA 3.23Å; I342-T351 WeakPolarHBondContact O-CA 3.39Å; I342-T351 WeakPolarHBondContact O-CG2 3.49Å; I342-T352 PolarHBondContact N-O 3.11Å; I342-T352 VanDerWaalsContact N-O 3.12Å; I342-T352 PolarHBondContact O-N 2.78Å; I342-Y354 HydrophobicContact CD1-CE2 4.38Å; I342-Y354 HydrophobicContact CG1-CE2 4.47Å
343	A	98.7	Very high	97.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	127.8	171.3	0	0	0	0	0	110.2	P326 N327 D328 T351 D373 V376	P326-A343 WeakPolarHBondContact CA-O 3.41Å; N327-A343 PolarHBondContact N-O 2.85Å; D328-A343 HydrophobicContact CB-CB 4.13Å; D328-A343 PolarHBondContact O-N 2.69Å; A343-T351 WeakPolarHBondContact CA-OG1 3.45Å; A343-D373 HydrophobicContact CB-CB 4.15Å; A343-V376 HydrophobicContact CB-CB 4.29Å; A343-V376 HydrophobicContact CB-CG1 3.93Å
344	D	98.6	Very high	97.5	Very high	1 Å²	1	23 Å²	23	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	121	178.4	-161.1	-64.7	0	0	0	111.8	I323 R324 K325 S346 T351 D373	I323-D344 WeakPolarHBondContact CA-OD2 3.5Å; R324-D344 PolarHBondContact N-OD2 2.91Å; K325-D344 PolarHBondContact N-OD1 2.87Å; K325-D344 PolarHBondContact N-OD2 3.44Å; D344-S346 VanDerWaalsContact C-N 3.28Å; D344-S346 PolarHBondContact O-N 3.09Å; D344-S346 WeakPolarHBondContact OD1-CA 3.44Å; D344-S346 WeakPolarHBondContact OD1-CB 3.18Å; D344-S346 PolarHBondContact OD1-N 3.17Å; D344-S346 PolarHBondContact OD1-OG 3.32Å; D344-T351 PolarHBondContact N-OG1 2.84Å; D344-D373 CarbonylContact C-O 3.53Å; D344-D373 VanDerWaalsContact C-O 3.3Å; D344-D373 PolarHBondContact O-N 3.24Å
345	S	98.1	Very high	97.5	Very high	28 Å²	28	25 Å²	25	20%	0.196	16%	0.155	C	C	.	.			trans	-83.9	0.2	-178.1	63.9	0	0	0	0	113.8	K325 R372 D373	K325-S345 VanDerWaalsContact CB-OG 3.29Å; K325-S345 WeakPolarHBondContact CB-OG 3.32Å; K325-S345 PolarHBondContact O-N 3.33Å; K325-S345 PolarHBondContact O-OG 3.03Å; S345-R372 VanDerWaalsContact O-CB 3.32Å; S345-R372 WeakPolarHBondContact O-CB 3.4Å; S345-R372 WeakPolarHBondContact O-CD 3.35Å; S345-R372 VanDerWaalsContact O-CG 3.23Å; S345-R372 WeakPolarHBondContact O-CG 3.25Å; S345-D373 VanDerWaalsContact CA-O 3.25Å; S345-D373 WeakPolarHBondContact CA-O 3.35Å; S345-D373 PolarHBondContact N-O 2.95Å
346	S	97.6	Very high	97.7	Very high	13 Å²	13	22.1 Å²	22.1	9%	0.091	14%	0.137	C	C	.	.	S	Bend	trans	-96.7	147.3	175.4	80.7	0	0	0	0	111.7	D344 A348 G349	D344-S346 VanDerWaalsContact C-N 3.28Å; D344-S346 PolarHBondContact O-N 3.09Å; D344-S346 WeakPolarHBondContact OD1-CA 3.44Å; D344-S346 WeakPolarHBondContact OD1-CB 3.18Å; D344-S346 PolarHBondContact OD1-N 3.17Å; D344-S346 PolarHBondContact OD1-OG 3.32Å; S346-A348 VanDerWaalsContact C-N 3.26Å; S346-A348 PolarHBondContact O-N 3.33Å; S346-G349 PolarHBondContact OG-N 2.82Å
347	K	96.7	Very high	97.8	Very high	111 Å²	111	23.1 Å²	23.1	48%	0.483	13%	0.126	S	C	.	.	S	Bend	trans	-67.4	-26.4	175	-71.6	-168.8	165.6	-171	0	114	W370 R372	K347-W370 VanDerWaalsContact O-CE3 3.23Å; K347-R372 HydrophobicContact CG-CG 4.08Å
348	A	95.9	Very high	97.6	Very high	54 Å²	54	23.1 Å²	23.1	45%	0.446	14%	0.139	S	C	.	.	S	Bend	trans	-91.8	-24.2	-174.2	0	0	0	0	0	112.5	S346	S346-A348 VanDerWaalsContact C-N 3.26Å; S346-A348 PolarHBondContact O-N 3.33Å
349	G	95.3	Very high	97.4	Very high	5 Å²	5	29 Å²	29	5%	0.052	17%	0.168	C	C	.	.	S	Bend	trans	-78.8	171.2	164.2	0	0	0	0	0	110.7	R322 S346	R322-G349 CarbonylContact O-C 3.58Å; R322-G349 WeakPolarHBondContact O-CA 3.47Å; S346-G349 PolarHBondContact OG-N 2.82Å
350	S	95.5	Very high	97.2	Very high	22 Å²	22	29 Å²	29	15%	0.154	17%	0.169	C	C	.	.			trans	-141	133.7	174	170.7	0	0	0	0	109.3	R322 I323 T352 S366 L367	R322-S350 PolarHBondContact O-N 2.94Å; I323-S350 WeakPolarHBondContact CD1-O 3.37Å; S350-T352 PolarHBondContact O-N 2.82Å; S350-T352 VanDerWaalsContact O-N 3.12Å; S350-T352 PolarHBondContact O-OG1 3.22Å; S350-S366 WeakPolarHBondContact OG-CB 3.34Å; S350-L367 PolarHBondContact OG-O 3.43Å
351	T	98.6	Very high	97.2	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.7	120.2	171.9	-67.9	0	0	0	0	109.5	V341 I342 A343 D344 S366 L367 D373 L389	V341-T351 HydrophobicContact CG2-CG2 3.7Å; I342-T351 VanDerWaalsContact O-CA 3.23Å; I342-T351 WeakPolarHBondContact O-CA 3.39Å; I342-T351 WeakPolarHBondContact O-CG2 3.49Å; A343-T351 WeakPolarHBondContact CA-OG1 3.45Å; D344-T351 PolarHBondContact N-OG1 2.84Å; T351-S366 CarbonylContact O-C 3.48Å; T351-S366 WeakPolarHBondContact O-CA 3.24Å; T351-L367 HydrophobicContact CG2-CB 4.32Å; T351-L367 PolarHBondContact O-N 3.48Å; T351-D373 VanDerWaalsContact CB-OD2 3.28Å; T351-D373 WeakPolarHBondContact CB-OD2 3.33Å; T351-D373 VanDerWaalsContact OG1-CB 3.28Å; T351-D373 WeakPolarHBondContact OG1-CB 3.44Å; T351-D373 VanDerWaalsContact OG1-CG 3.32Å; T351-D373 PolarHBondContact OG1-OD2 3.16Å; T351-L389 HydrophobicContact CG2-CD1 4.15Å; T351-L389 HydrophobicContact CG2-CD2 3.93Å
352	T	98.8	Very high	97.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	128.2	-168.1	-63.2	0	0	0	0	110.6	V341 I342 S350 Y354 S363 Q365 S366	V341-T352 WeakPolarHBondContact CA-O 3.34Å; I342-T352 PolarHBondContact N-O 3.11Å; I342-T352 VanDerWaalsContact N-O 3.12Å; I342-T352 PolarHBondContact O-N 2.78Å; S350-T352 PolarHBondContact O-N 2.82Å; S350-T352 VanDerWaalsContact O-N 3.12Å; S350-T352 PolarHBondContact O-OG1 3.22Å; T352-Y354 HydrophobicContact CG2-CD2 4.06Å; T352-Y354 HydrophobicContact CG2-CE1 4.49Å; T352-Y354 HydrophobicContact CG2-CE2 3.54Å; T352-Y354 WeakPolarHBondContact O-CD2 3.16Å; T352-Y354 WeakPolarHBondContact O-CE2 3.26Å; T352-S363 WeakPolarHBondContact CG2-OG 3.39Å; T352-Q365 CarbonylContact C-O 3.59Å; T352-Q365 WeakPolarHBondContact CA-O 3.49Å; T352-S366 PolarHBondContact OG1-OG 2.86Å
353	V	98.8	Very high	97	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	130.5	169.4	-176.8	0	0	0	0	108.5	F332 F339 F340 V341 H364 Q365 L367 L387 F408	F332-V353 HydrophobicContact CZ-CG1 4.06Å; F339-V353 HydrophobicContact CB-CG1 4.4Å; F339-V353 HydrophobicContact CD1-CG1 3.94Å; F340-V353 CarbonylContact O-C 3.32Å; F340-V353 WeakPolarHBondContact O-CA 3.02Å; V341-V353 HydrophobicContact CB-CG2 4.24Å; V341-V353 HydrophobicContact CG2-CG2 4.04Å; V353-H364 HydrophobicContact CG1-CB 4.39Å; V353-H364 WeakPolarHBondContact O-CB 3.25Å; V353-H364 PolarHBondContact O-N 3.32Å; V353-Q365 HydrophobicContact CB-CB 4.38Å; V353-Q365 PolarHBondContact N-O 3.26Å; V353-Q365 PolarHBondContact O-N 3.45Å; V353-L367 HydrophobicContact CG2-CD1 3.92Å; V353-L367 HydrophobicContact CG2-CG 4.42Å; V353-L387 HydrophobicContact CG2-CD1 4.23Å; V353-F408 HydrophobicContact CG2-CD2 4.35Å
354	Y	98.7	Very high	97	Very high	10 Å²	10	38.8 Å²	38.8	4%	0.039	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	144.2	175.4	-67.8	-100.2	0	0	0	110	I318 I323 F339 F340 I342 T352 Y362	I318-Y354 HydrophobicContact CG2-CE1 4.42Å; I318-Y354 WeakPolarHBondContact CG2-OH 3.12Å; I323-Y354 HydrophobicContact CG1-CE2 4.45Å; I323-Y354 WeakPolarHBondContact CG1-OH 3.33Å; F339-Y354 WeakPolarHBondContact CA-O 3.38Å; F339-Y354 WeakPolarHBondContact CB-O 3.31Å; F340-Y354 AromaticContact CD2-CD2 3.94Å; F340-Y354 HydrophobicContact CD2-CD2 3.94Å; F340-Y354 HydrophobicContact CD2-CG 4.32Å; F340-Y354 HydrophobicContact CE1-CG 4.24Å; F340-Y354 HydrophobicContact CE2-CD1 4.42Å; F340-Y354 AromaticContact CE2-CD2 3.25Å; F340-Y354 HydrophobicContact CE2-CD2 3.25Å; F340-Y354 AromaticContact CE2-CE2 3.99Å; F340-Y354 HydrophobicContact CE2-CE2 3.99Å; F340-Y354 AromaticContact CE2-CG 3.53Å; F340-Y354 HydrophobicContact CE2-CG 3.53Å; F340-Y354 VanDerWaalsContact CZ-CB 3.44Å; F340-Y354 HydrophobicContact CZ-CD1 4.08Å; F340-Y354 AromaticContact CZ-CD2 3.74Å; F340-Y354 HydrophobicContact CZ-CD2 3.74Å; F340-Y354 AromaticContact CZ-CG 3.48Å; F340-Y354 HydrophobicContact CZ-CG 3.48Å; F340-Y354 VanDerWaalsContact CZ-CG 3.48Å; F340-Y354 PolarHBondContact N-O 2.83Å; F340-Y354 VanDerWaalsContact N-O 3.09Å; F340-Y354 PolarHBondContact O-N 3.41Å; I342-Y354 HydrophobicContact CD1-CE2 4.38Å; I342-Y354 HydrophobicContact CG1-CE2 4.47Å; T352-Y354 HydrophobicContact CG2-CD2 4.06Å; T352-Y354 HydrophobicContact CG2-CE1 4.49Å; T352-Y354 HydrophobicContact CG2-CE2 3.54Å; T352-Y354 WeakPolarHBondContact O-CD2 3.16Å; T352-Y354 WeakPolarHBondContact O-CE2 3.26Å; Y354-Y362 CarbonylContact C-O 3.54Å; Y354-Y362 VanDerWaalsContact CA-O 3.28Å; Y354-Y362 WeakPolarHBondContact CA-O 3.24Å
355	K	98.4	Very high	97	Very high	47 Å²	47	40.1 Å²	40.1	20%	0.204	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	135.3	-177.9	178.7	177.2	175.8	172.9	0	110.8	E337 F339 F361 Y362 H364	E337-K355 VanDerWaalsContact OE1-CE 3.22Å; E337-K355 WeakPolarHBondContact OE1-CE 3.47Å; E337-K355 IonicContact OE1-NZ 3.61Å; E337-K355 PolarHBondContact OE1-NZ 3.19Å; E337-K355 IonicContact OE2-NZ 3.71Å; E337-K355 PolarHBondContact OE2-NZ 2.84Å; E337-K355 VanDerWaalsContact OE2-NZ 3.08Å; F339-K355 HydrophobicContact CD1-CB 3.72Å; F339-K355 HydrophobicContact CD1-CG 4.01Å; F339-K355 HydrophobicContact CE1-CB 3.62Å; F339-K355 HydrophobicContact CE1-CD 3.69Å; F339-K355 HydrophobicContact CE1-CG 3.56Å; F339-K355 HydrophobicContact CZ-CD 4.04Å; F339-K355 HydrophobicContact CZ-CG 4.11Å; K355-F361 WeakPolarHBondContact O-CA 3.41Å; K355-Y362 PolarHBondContact N-O 3.22Å; K355-Y362 PolarHBondContact O-N 3.3Å; K355-H364 HydrophobicContact CB-CB 3.87Å
356	W	97.9	Very high	97	Very high	37 Å²	37	41.4 Å²	41.4	14%	0.14	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	132.9	169.7	179.9	-113.8	0	0	0	111.3	I285 F290 S338 G358 F361	I285-W356 HydrophobicContact CD1-CB 4.2Å; I285-W356 HydrophobicContact CD1-CD2 3.97Å; I285-W356 HydrophobicContact CD1-CE3 4.32Å; I285-W356 HydrophobicContact CD1-CG 3.91Å; F290-W356 AromaticContact CE1-CH2 3.91Å; F290-W356 HydrophobicContact CE1-CH2 3.91Å; F290-W356 AromaticContact CE1-CZ3 3.98Å; F290-W356 HydrophobicContact CE1-CZ3 3.98Å; F290-W356 HydrophobicContact CE2-CH2 4.34Å; F290-W356 AromaticContact CZ-CH2 3.54Å; F290-W356 HydrophobicContact CZ-CH2 3.54Å; F290-W356 HydrophobicContact CZ-CZ2 4.2Å; F290-W356 AromaticContact CZ-CZ3 3.95Å; F290-W356 HydrophobicContact CZ-CZ3 3.95Å; S338-W356 WeakPolarHBondContact O-CB 3.32Å; S338-W356 PolarHBondContact O-N 3.05Å; W356-G358 VanDerWaalsContact CE2-CA 3.44Å; W356-G358 VanDerWaalsContact CZ2-O 3.27Å; W356-G358 WeakPolarHBondContact CZ2-O 3.4Å; W356-F361 HydrophobicContact CB-CD1 4.06Å; W356-F361 HydrophobicContact CB-CE1 3.81Å; W356-F361 HydrophobicContact CB-CZ 4.47Å; W356-F361 HydrophobicContact CD2-CZ 4.37Å; W356-F361 HydrophobicContact CE3-CD1 4.21Å; W356-F361 AromaticContact CE3-CD2 3.74Å; W356-F361 HydrophobicContact CE3-CD2 3.74Å; W356-F361 AromaticContact CE3-CE1 4Å; W356-F361 HydrophobicContact CE3-CE1 4Å; W356-F361 AromaticContact CE3-CE2 3.5Å; W356-F361 HydrophobicContact CE3-CE2 3.5Å; W356-F361 VanDerWaalsContact CE3-CE2 3.5Å; W356-F361 HydrophobicContact CE3-CG 4.1Å; W356-F361 AromaticContact CE3-CZ 3.65Å; W356-F361 HydrophobicContact CE3-CZ 3.65Å; W356-F361 HydrophobicContact CZ3-CD2 4.03Å; W356-F361 AromaticContact CZ3-CE2 3.76Å; W356-F361 HydrophobicContact CZ3-CE2 3.76Å; W356-F361 HydrophobicContact CZ3-CZ 4.3Å
357	N	95.9	Very high	97	Very high	91 Å²	91	41 Å²	41	49%	0.487	23%	0.227	S	C	.	.			trans	-118.4	10.3	177.4	78	-11.1	0	0	0	114.5	I359 G360 Y362	N357-I359 PolarHBondContact OD1-N 3.17Å; N357-G360 PolarHBondContact N-O 2.65Å; N357-G360 VanDerWaalsContact N-O 3.1Å; N357-G360 PolarHBondContact OD1-N 3.42Å; N357-G360 PolarHBondContact OD1-O 2.99Å; N357-G360 VanDerWaalsContact OD1-O 3.11Å; N357-Y362 HydrophobicContact CB-CD2 4.29Å; N357-Y362 VanDerWaalsContact ND2-CD2 3.29Å; N357-Y362 WeakPolarHBondContact ND2-CD2 3.37Å; N357-Y362 WeakPolarHBondContact ND2-CE2 3.49Å; N357-Y362 WeakPolarHBondContact OD1-CE2 3.25Å
358	G	93.3	Very high	97	Very high	50 Å²	50	36.2 Å²	36.2	52%	0.515	21%	0.206	S	C	.	.	S	Bend	trans	97.5	-19.5	-175.2	0	0	0	0	0	114.9	W356	W356-G358 VanDerWaalsContact CE2-CA 3.44Å; W356-G358 VanDerWaalsContact CZ2-O 3.27Å; W356-G358 WeakPolarHBondContact CZ2-O 3.4Å
359	I	93.1	Very high	97	Very high	139 Å²	139	37.4 Å²	37.4	71%	0.713	21%	0.209	S	C	*	.	S	Bend	trans	-117.7	-42.5	179.3	-57.6	173.1	0	0	0	110.9	N357	N357-I359 PolarHBondContact OD1-N 3.17Å
360	G	95.4	Very high	97.1	Very high	2 Å²	2	46.3 Å²	46.3	2%	0.021	24%	0.242	C	C	.	.			trans	-159.4	-170.9	-176.2	0	0	0	0	0	111.7	N357	N357-G360 PolarHBondContact N-O 2.65Å; N357-G360 VanDerWaalsContact N-O 3.1Å; N357-G360 PolarHBondContact OD1-N 3.42Å; N357-G360 PolarHBondContact OD1-O 2.99Å; N357-G360 VanDerWaalsContact OD1-O 3.11Å
361	F	97.6	Very high	97.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.4	-178.9	-67	-92.3	0	0	0	111.2	M283 I285 F290 I302 Q316 F340 K355 W356	M283-F361 HydrophobicContact CE-CE1 4.32Å; M283-F361 HydrophobicContact SD-CE1 3.7Å; M283-F361 HydrophobicContact SD-CZ 3.62Å; I285-F361 HydrophobicContact CD1-CE1 3.96Å; I285-F361 HydrophobicContact CD1-CZ 3.52Å; F290-F361 HydrophobicContact CD1-CE2 4.32Å; F290-F361 HydrophobicContact CG-CE2 4.32Å; I302-F361 HydrophobicContact CD1-CB 3.76Å; I302-F361 HydrophobicContact CD1-CD2 3.71Å; I302-F361 HydrophobicContact CD1-CG 4.09Å; I302-F361 HydrophobicContact CG2-CD2 4.31Å; I302-F361 HydrophobicContact CG2-CE2 4.42Å; Q316-F361 PolarHBondContact NE2-O 3.06Å; Q316-F361 PolarHBondContact OE1-O 3.34Å; F340-F361 HydrophobicContact CD1-CB 4.47Å; F340-F361 AromaticContact CD1-CD1 3.6Å; F340-F361 HydrophobicContact CD1-CD1 3.6Å; F340-F361 AromaticContact CD1-CE1 3.86Å; F340-F361 HydrophobicContact CD1-CE1 3.86Å; F340-F361 HydrophobicContact CD1-CG 4.06Å; F340-F361 HydrophobicContact CE1-CB 3.51Å; F340-F361 AromaticContact CE1-CD1 3.46Å; F340-F361 HydrophobicContact CE1-CD1 3.46Å; F340-F361 VanDerWaalsContact CE1-CD1 3.46Å; F340-F361 HydrophobicContact CE1-CD2 4.07Å; F340-F361 HydrophobicContact CE1-CE1 4.09Å; F340-F361 AromaticContact CE1-CG 3.43Å; F340-F361 HydrophobicContact CE1-CG 3.43Å; F340-F361 VanDerWaalsContact CE1-CG 3.43Å; F340-F361 HydrophobicContact CZ-CB 4.11Å; F340-F361 HydrophobicContact CZ-CG 4.45Å; K355-F361 WeakPolarHBondContact O-CA 3.41Å; W356-F361 HydrophobicContact CB-CD1 4.06Å; W356-F361 HydrophobicContact CB-CE1 3.81Å; W356-F361 HydrophobicContact CB-CZ 4.47Å; W356-F361 HydrophobicContact CD2-CZ 4.37Å; W356-F361 HydrophobicContact CE3-CD1 4.21Å; W356-F361 AromaticContact CE3-CD2 3.74Å; W356-F361 HydrophobicContact CE3-CD2 3.74Å; W356-F361 AromaticContact CE3-CE1 4Å; W356-F361 HydrophobicContact CE3-CE1 4Å; W356-F361 AromaticContact CE3-CE2 3.5Å; W356-F361 HydrophobicContact CE3-CE2 3.5Å; W356-F361 VanDerWaalsContact CE3-CE2 3.5Å; W356-F361 HydrophobicContact CE3-CG 4.1Å; W356-F361 AromaticContact CE3-CZ 3.65Å; W356-F361 HydrophobicContact CE3-CZ 3.65Å; W356-F361 HydrophobicContact CZ3-CD2 4.03Å; W356-F361 AromaticContact CZ3-CE2 3.76Å; W356-F361 HydrophobicContact CZ3-CE2 3.76Å; W356-F361 HydrophobicContact CZ3-CZ 4.3Å
362	Y	97.4	Very high	97.2	Very high	116 Å²	116	55 Å²	55	46%	0.455	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	148.4	-174.3	-60.6	-91.9	0	0	0	110.7	Y354 K355 N357 H364	Y354-Y362 CarbonylContact C-O 3.54Å; Y354-Y362 VanDerWaalsContact CA-O 3.28Å; Y354-Y362 WeakPolarHBondContact CA-O 3.24Å; K355-Y362 PolarHBondContact N-O 3.22Å; K355-Y362 PolarHBondContact O-N 3.3Å; N357-Y362 HydrophobicContact CB-CD2 4.29Å; N357-Y362 VanDerWaalsContact ND2-CD2 3.29Å; N357-Y362 WeakPolarHBondContact ND2-CD2 3.37Å; N357-Y362 WeakPolarHBondContact ND2-CE2 3.49Å; N357-Y362 WeakPolarHBondContact OD1-CE2 3.25Å; Y362-H364 PolarHBondContact O-N 2.9Å
363	S	97.5	Very high	97.2	Very high	45 Å²	45	55.1 Å²	55.1	32%	0.315	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	126.9	-179.6	-177.9	0	0	0	0	110.6	R322 T352	R322-S363 PolarHBondContact NH1-OG 3.19Å; T352-S363 WeakPolarHBondContact CG2-OG 3.39Å
364	H	97.9	Very high	97.2	Very high	44 Å²	44	55.6 Å²	55.6	20%	0.204	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-43.1	-176.9	-178.4	71	0	0	0	111.4	F339 V353 K355 Y362 W401 K406	F339-H364 AromaticContact CE1-CD2 3.95Å; V353-H364 HydrophobicContact CG1-CB 4.39Å; V353-H364 WeakPolarHBondContact O-CB 3.25Å; V353-H364 PolarHBondContact O-N 3.32Å; K355-H364 HydrophobicContact CB-CB 3.87Å; Y362-H364 PolarHBondContact O-N 2.9Å; H364-W401 AromaticContact NE2-CH2 3.87Å; H364-K406 PolarHBondContact CE1-O 2.76Å; H364-K406 VanDerWaalsContact CE1-O 3.27Å; H364-K406 PolarHBondContact NE2-O 2.76Å
365	Q	98.3	Very high	97.2	Very high	29 Å²	29	55.6 Å²	55.6	14%	0.136	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	137.6	178.2	-177.8	175.9	8	0	0	111.4	T352 V353 L367 F408	T352-Q365 CarbonylContact C-O 3.59Å; T352-Q365 WeakPolarHBondContact CA-O 3.49Å; V353-Q365 HydrophobicContact CB-CB 4.38Å; V353-Q365 PolarHBondContact N-O 3.26Å; V353-Q365 PolarHBondContact O-N 3.45Å; Q365-L367 HydrophobicContact CG-CD2 3.83Å; Q365-L367 HydrophobicContact CG-CG 4.49Å; Q365-F408 PolarHBondContact NE2-O 3.5Å
366	S	97.8	Very high	97.2	Very high	55 Å²	55	53.4 Å²	53.4	39%	0.385	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	139.6	167.7	-67.8	0	0	0	0	110.1	S350 T351 T352	S350-S366 WeakPolarHBondContact OG-CB 3.34Å; T351-S366 CarbonylContact O-C 3.48Å; T351-S366 WeakPolarHBondContact O-CA 3.24Å; T352-S366 PolarHBondContact OG1-OG 2.86Å
367	L	98.3	Very high	97.3	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	154.7	-175.4	-57.7	178.2	0	0	0	109.7	S350 T351 V353 Q365 L387 L389 Y399 F408	S350-L367 PolarHBondContact OG-O 3.43Å; T351-L367 HydrophobicContact CG2-CB 4.32Å; T351-L367 PolarHBondContact O-N 3.48Å; V353-L367 HydrophobicContact CG2-CD1 3.92Å; V353-L367 HydrophobicContact CG2-CG 4.42Å; Q365-L367 HydrophobicContact CG-CD2 3.83Å; Q365-L367 HydrophobicContact CG-CG 4.49Å; L367-L387 HydrophobicContact CD1-CD1 3.92Å; L367-L389 HydrophobicContact CB-CD1 4.06Å; L367-L389 HydrophobicContact CD1-CD1 4.45Å; L367-Y399 HydrophobicContact CD2-CD1 4.09Å; L367-Y399 HydrophobicContact CD2-CE1 3.9Å; L367-F408 HydrophobicContact CD2-CB 4.27Å
368	H	97.1	Very high	97.4	Very high	10 Å²	10	49.4 Å²	49.4	5%	0.046	25%	0.245	C	C	.	.	S	Bend	trans	46.5	56.7	169.1	-142.5	-161.1	0	0	0	115.5	W370 Y371 D373 L389 S391	H368-W370 PolarHBondContact O-N 2.92Å; H368-Y371 HydrophobicContact CB-CD2 4.41Å; H368-Y371 AromaticContact CD2-CD1 3.91Å; H368-Y371 AromaticContact CD2-CD2 3.19Å; H368-Y371 WeakPolarHBondContact CD2-CD2 3.24Å; H368-Y371 AromaticContact CD2-CE2 3.51Å; H368-Y371 AromaticContact CD2-CG 3.43Å; H368-Y371 VanDerWaalsContact CD2-CG 3.43Å; H368-Y371 AromaticContact CD2-CZ 3.97Å; H368-Y371 AromaticContact CE1-CD1 3.25Å; H368-Y371 WeakPolarHBondContact CE1-CD1 3.35Å; H368-Y371 AromaticContact CE1-CD2 3.94Å; H368-Y371 AromaticContact CE1-CE1 3.79Å; H368-Y371 AromaticContact CE1-CG 3.33Å; H368-Y371 AromaticContact CG-CD2 3.61Å; H368-Y371 AromaticContact CG-CG 3.56Å; H368-Y371 WeakPolarHBondContact ND1-CB 3.16Å; H368-Y371 AromaticContact ND1-CD1 3.88Å; H368-Y371 AromaticContact ND1-CG 3.5Å; H368-Y371 AromaticContact NE2-CD1 3.26Å; H368-Y371 VanDerWaalsContact NE2-CD1 3.26Å; H368-Y371 WeakPolarHBondContact NE2-CD1 3.38Å; H368-Y371 AromaticContact NE2-CD2 3.45Å; H368-Y371 WeakPolarHBondContact NE2-CD2 3.16Å; H368-Y371 AromaticContact NE2-CE1 3.37Å; H368-Y371 WeakPolarHBondContact NE2-CE1 3.24Å; H368-Y371 AromaticContact NE2-CE2 3.58Å; H368-Y371 AromaticContact NE2-CG 3.29Å; H368-Y371 VanDerWaalsContact NE2-CG 3.29Å; H368-Y371 AromaticContact NE2-CZ 3.52Å; H368-Y371 WeakPolarHBondContact O-CB 3.22Å; H368-Y371 PolarHBondContact O-N 3.15Å; H368-D373 WeakPolarHBondContact CB-OD2 3.39Å; H368-D373 IonicContact CE1-OD1 2.72Å; H368-D373 IonicContact CG-OD1 3.74Å; H368-D373 IonicContact ND1-OD1 3.36Å; H368-D373 PolarHBondContact ND1-OD1 3.46Å; H368-D373 IonicContact ND1-OD2 3.07Å; H368-L389 HydrophobicContact CB-CD1 3.79Å; H368-S391 PolarHBondContact CE1-OG 3.03Å; H368-S391 PolarHBondContact ND1-OG 3.24Å
369	P	96.5	Very high	97.6	Very high	79 Å²	79	47 Å²	47	51%	0.513	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	137.9	-176.6	28	-35.7	0	0	0	111.5	Y371	P369-Y371 VanDerWaalsContact C-N 3.26Å; P369-Y371 VanDerWaalsContact O-CD2 3.24Å; P369-Y371 WeakPolarHBondContact O-CD2 3.08Å; P369-Y371 PolarHBondContact O-N 3.12Å
370	W	96.8	Very high	97.8	Very high	192 Å²	192	44 Å²	44	73%	0.727	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	5.3	-179.8	-44.8	103.9	0	0	0	116.5	K347 H368	K347-W370 VanDerWaalsContact O-CE3 3.23Å; H368-W370 PolarHBondContact O-N 2.92Å
371	Y	97.8	Very high	97.8	Very high	89 Å²	89	44.2 Å²	44.2	35%	0.349	20%	0.204	S	C	.	.			trans	-90.4	166.3	173.1	-72.7	-98.3	0	0	0	111.4	H368 P369 Q394	H368-Y371 HydrophobicContact CB-CD2 4.41Å; H368-Y371 AromaticContact CD2-CD1 3.91Å; H368-Y371 AromaticContact CD2-CD2 3.19Å; H368-Y371 WeakPolarHBondContact CD2-CD2 3.24Å; H368-Y371 AromaticContact CD2-CE2 3.51Å; H368-Y371 AromaticContact CD2-CG 3.43Å; H368-Y371 VanDerWaalsContact CD2-CG 3.43Å; H368-Y371 AromaticContact CD2-CZ 3.97Å; H368-Y371 AromaticContact CE1-CD1 3.25Å; H368-Y371 WeakPolarHBondContact CE1-CD1 3.35Å; H368-Y371 AromaticContact CE1-CD2 3.94Å; H368-Y371 AromaticContact CE1-CE1 3.79Å; H368-Y371 AromaticContact CE1-CG 3.33Å; H368-Y371 AromaticContact CG-CD2 3.61Å; H368-Y371 AromaticContact CG-CG 3.56Å; H368-Y371 WeakPolarHBondContact ND1-CB 3.16Å; H368-Y371 AromaticContact ND1-CD1 3.88Å; H368-Y371 AromaticContact ND1-CG 3.5Å; H368-Y371 AromaticContact NE2-CD1 3.26Å; H368-Y371 VanDerWaalsContact NE2-CD1 3.26Å; H368-Y371 WeakPolarHBondContact NE2-CD1 3.38Å; H368-Y371 AromaticContact NE2-CD2 3.45Å; H368-Y371 WeakPolarHBondContact NE2-CD2 3.16Å; H368-Y371 AromaticContact NE2-CE1 3.37Å; H368-Y371 WeakPolarHBondContact NE2-CE1 3.24Å; H368-Y371 AromaticContact NE2-CE2 3.58Å; H368-Y371 AromaticContact NE2-CG 3.29Å; H368-Y371 VanDerWaalsContact NE2-CG 3.29Å; H368-Y371 AromaticContact NE2-CZ 3.52Å; H368-Y371 WeakPolarHBondContact O-CB 3.22Å; H368-Y371 PolarHBondContact O-N 3.15Å; P369-Y371 VanDerWaalsContact C-N 3.26Å; P369-Y371 VanDerWaalsContact O-CD2 3.24Å; P369-Y371 WeakPolarHBondContact O-CD2 3.08Å; P369-Y371 PolarHBondContact O-N 3.12Å; Y371-Q394 HydrophobicContact CD1-CG 3.85Å; Y371-Q394 HydrophobicContact CE1-CG 3.84Å
372	R	98.4	Very high	97.5	Very high	117 Å²	117	48.8 Å²	48.8	44%	0.442	24%	0.236	S	C	.	.			trans	-113.2	78.9	176.2	-64.7	-167	179.7	101.2	-8.4	107.8	S345 K347 S391 S392	S345-R372 VanDerWaalsContact O-CB 3.32Å; S345-R372 WeakPolarHBondContact O-CB 3.4Å; S345-R372 WeakPolarHBondContact O-CD 3.35Å; S345-R372 VanDerWaalsContact O-CG 3.23Å; S345-R372 WeakPolarHBondContact O-CG 3.25Å; K347-R372 HydrophobicContact CG-CG 4.08Å; R372-S391 CarbonylContact O-C 3.55Å; R372-S391 WeakPolarHBondContact O-CA 3.25Å; R372-S391 VanDerWaalsContact O-CB 3.31Å; R372-S391 WeakPolarHBondContact O-CB 3.49Å; R372-S392 PolarHBondContact O-N 3.39Å
373	D	98.7	Very high	97.2	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	131.1	-175.8	-62.6	-34.4	0	0	0	109.9	A343 D344 S345 T351 H368 S390 S391	A343-D373 HydrophobicContact CB-CB 4.15Å; D344-D373 CarbonylContact C-O 3.53Å; D344-D373 VanDerWaalsContact C-O 3.3Å; D344-D373 PolarHBondContact O-N 3.24Å; S345-D373 VanDerWaalsContact CA-O 3.25Å; S345-D373 WeakPolarHBondContact CA-O 3.35Å; S345-D373 PolarHBondContact N-O 2.95Å; T351-D373 VanDerWaalsContact CB-OD2 3.28Å; T351-D373 WeakPolarHBondContact CB-OD2 3.33Å; T351-D373 VanDerWaalsContact OG1-CB 3.28Å; T351-D373 WeakPolarHBondContact OG1-CB 3.44Å; T351-D373 VanDerWaalsContact OG1-CG 3.32Å; T351-D373 PolarHBondContact OG1-OD2 3.16Å; H368-D373 WeakPolarHBondContact CB-OD2 3.39Å; H368-D373 IonicContact CE1-OD1 2.72Å; H368-D373 IonicContact CG-OD1 3.74Å; H368-D373 IonicContact ND1-OD1 3.36Å; H368-D373 PolarHBondContact ND1-OD1 3.46Å; H368-D373 IonicContact ND1-OD2 3.07Å; D373-S390 CarbonylContact C-O 3.56Å; D373-S390 VanDerWaalsContact CA-O 3.25Å; D373-S390 WeakPolarHBondContact CA-O 3.44Å; D373-S391 WeakPolarHBondContact OD1-CB 3.29Å; D373-S391 PolarHBondContact OD1-OG 3.27Å
374	T	98.4	Very high	97.2	Very high	10 Å²	10	52.6 Å²	52.6	6%	0.061	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-31.5	-175.6	44.5	0	0	0	0	112	N327 S390 F421	N327-T374 PolarHBondContact ND2-O 3.2Å; T374-S390 PolarHBondContact N-O 2.6Å; T374-S390 PolarHBondContact OG1-O 2.84Å; T374-S390 PolarHBondContact OG1-OG 3.48Å; T374-F421 WeakPolarHBondContact CB-O 3.43Å; T374-F421 HydrophobicContact CG2-CD2 4.39Å; T374-F421 HydrophobicContact CG2-CE2 4.45Å; T374-F421 PolarHBondContact OG1-O 3.41Å
375	D	98.8	Very high	97.2	Very high	11 Å²	11	50.8 Å²	50.8	6%	0.059	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	153.3	-179.6	-174.6	81.9	0	0	0	109.7	S390 I423 K424	D375-S390 VanDerWaalsContact CB-OG 3.28Å; D375-S390 WeakPolarHBondContact CB-OG 3.47Å; D375-S390 PolarHBondContact N-OG 2.98Å; D375-S390 VanDerWaalsContact N-OG 3.13Å; D375-S390 PolarHBondContact O-N 2.88Å; D375-S390 VanDerWaalsContact O-N 3.08Å; D375-I423 PolarHBondContact OD2-N 2.8Å; D375-K424 IonicContact OD1-NZ 2.69Å; D375-K424 PolarHBondContact OD1-NZ 2.98Å; D375-K424 IonicContact OD2-NZ 2.75Å; D375-K424 PolarHBondContact OD2-NZ 2.79Å
376	V	98.8	Very high	97.2	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	123.7	175.3	51.9	0	0	0	0	109.8	D328 E330 V341 A343 L387 I388 L389	D328-V376 WeakPolarHBondContact OD2-CG1 3.21Å; D328-V376 PolarHBondContact OD2-N 2.81Å; E330-V376 HydrophobicContact CB-CG1 4.11Å; E330-V376 WeakPolarHBondContact CB-O 3.23Å; V341-V376 HydrophobicContact CB-CG2 4.34Å; V341-V376 HydrophobicContact CG1-CB 4.15Å; V341-V376 HydrophobicContact CG1-CG1 3.65Å; V341-V376 HydrophobicContact CG1-CG2 3.38Å; V341-V376 HydrophobicContact CG2-CG1 4.38Å; V341-V376 HydrophobicContact CG2-CG2 4.01Å; A343-V376 HydrophobicContact CB-CB 4.29Å; A343-V376 HydrophobicContact CB-CG1 3.93Å; V376-L387 HydrophobicContact CG2-CD2 4.02Å; V376-I388 WeakPolarHBondContact CA-O 3.25Å; V376-L389 HydrophobicContact CB-CD2 3.55Å; V376-L389 HydrophobicContact CG2-CD2 3.45Å; V376-L389 VanDerWaalsContact CG2-CD2 3.45Å
377	E	98.8	Very high	97.2	Very high	11 Å²	11	47.4 Å²	47.4	5%	0.051	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122.5	-178.8	-175.9	68.8	172	0	0	110.7	L379 L387 I388 I423 K424 H425	E377-L379 HydrophobicContact CG-CD2 4.37Å; E377-L387 CarbonylContact O-C 3.56Å; E377-L387 WeakPolarHBondContact O-CA 3.46Å; E377-I388 PolarHBondContact N-O 2.96Å; E377-I388 PolarHBondContact O-N 2.85Å; E377-I423 HydrophobicContact CB-CB 4.26Å; E377-I423 HydrophobicContact CB-CG2 4.27Å; E377-I423 HydrophobicContact CG-CG2 4.42Å; E377-K424 WeakPolarHBondContact OE1-CA 3.31Å; E377-K424 WeakPolarHBondContact OE2-CD 3.33Å; E377-K424 IonicContact OE2-NZ 3.14Å; E377-K424 PolarHBondContact OE2-NZ 3.34Å; E377-H425 IonicContact OE1-CE1 3.25Å; E377-H425 IonicContact OE1-CG 3.68Å; E377-H425 PolarHBondContact OE1-N 3.06Å; E377-H425 IonicContact OE1-ND1 3.76Å; E377-H425 PolarHBondContact OE1-ND1 3.05Å
378	Y	98.7	Very high	97.3	Very high	33 Å²	33	47.2 Å²	47.2	13%	0.129	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	134.6	168	177.3	-95.7	0	0	0	110.8	F332 I334 E380 P385 H386 L387 H425	F332-Y378 HydrophobicContact CB-CD1 3.68Å; F332-Y378 HydrophobicContact CB-CD2 3.49Å; F332-Y378 VanDerWaalsContact CB-CD2 3.49Å; F332-Y378 HydrophobicContact CB-CE1 3.91Å; F332-Y378 HydrophobicContact CB-CE2 3.69Å; F332-Y378 HydrophobicContact CB-CG 3.48Å; F332-Y378 VanDerWaalsContact CB-CG 3.48Å; F332-Y378 AromaticContact CD1-CD2 3.8Å; F332-Y378 HydrophobicContact CD1-CD2 3.8Å; F332-Y378 HydrophobicContact CD1-CG 4.03Å; F332-Y378 AromaticContact CD2-CD2 3.85Å; F332-Y378 HydrophobicContact CD2-CD2 3.85Å; F332-Y378 AromaticContact CD2-CE2 3.83Å; F332-Y378 HydrophobicContact CD2-CE2 3.83Å; F332-Y378 HydrophobicContact CE1-CD2 4.49Å; F332-Y378 AromaticContact CG-CD2 3.43Å; F332-Y378 HydrophobicContact CG-CD2 3.43Å; F332-Y378 VanDerWaalsContact CG-CD2 3.43Å; F332-Y378 AromaticContact CG-CE2 3.79Å; F332-Y378 HydrophobicContact CG-CE2 3.79Å; F332-Y378 AromaticContact CG-CG 3.83Å; F332-Y378 HydrophobicContact CG-CG 3.83Å; I334-Y378 HydrophobicContact CD1-CE2 4.26Å; I334-Y378 HydrophobicContact CG1-CE2 4.29Å; Y378-E380 HydrophobicContact CE1-CG 4.24Å; Y378-E380 PolarHBondContact OH-OE1 2.97Å; Y378-E380 VanDerWaalsContact OH-OE1 3.13Å; Y378-P385 HydrophobicContact CE2-CB 3.83Å; Y378-H386 WeakPolarHBondContact CD2-O 3.21Å; Y378-L387 HydrophobicContact CD2-CD2 4.03Å; Y378-H425 PolarHBondContact O-CE1 2.8Å; Y378-H425 PolarHBondContact O-ND1 2.96Å
379	L	97.9	Very high	97.3	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	166.4	171.1	67.9	147.7	0	0	0	111.8	E377 I381 H386 I388 H425 L432 F453	E377-L379 HydrophobicContact CG-CD2 4.37Å; L379-I381 HydrophobicContact CD1-CD1 4Å; L379-I381 HydrophobicContact CD1-CG1 3.65Å; L379-I381 HydrophobicContact CG-CG1 4.33Å; L379-H386 HydrophobicContact CG-CB 4.42Å; L379-H386 PolarHBondContact N-O 2.84Å; L379-H386 VanDerWaalsContact N-O 3.13Å; L379-H386 PolarHBondContact O-N 2.81Å; L379-I388 HydrophobicContact CD1-CD1 4.42Å; L379-I388 HydrophobicContact CD2-CD1 3.44Å; L379-I388 VanDerWaalsContact CD2-CD1 3.44Å; L379-I388 HydrophobicContact CD2-CG1 3.59Å; L379-H425 HydrophobicContact CB-CB 4.44Å; L379-L432 HydrophobicContact CD1-CD1 4.13Å; L379-L432 HydrophobicContact CD1-CD2 3.57Å; L379-L432 HydrophobicContact CD1-CG 4.37Å; L379-F453 HydrophobicContact CD1-CZ 4.24Å
380	E	96.8	Very high	97.4	Very high	74 Å²	74	43 Å²	43	35%	0.346	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.3	172.6	-64.6	-171.9	176.1	0	0	111.5	Y378 K384 R427	Y378-E380 HydrophobicContact CE1-CG 4.24Å; Y378-E380 PolarHBondContact OH-OE1 2.97Å; Y378-E380 VanDerWaalsContact OH-OE1 3.13Å; E380-K384 WeakPolarHBondContact CA-O 2.94Å; E380-R427 PolarHBondContact O-NH2 3.25Å
381	I	96.1	Very high	97.5	Very high	8 Å²	8	33.9 Å²	33.9	4%	0.041	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	116.8	174.2	-53.5	177.6	0	0	0	107	L379 N383 K384 H386 L432 W448 F453	L379-I381 HydrophobicContact CD1-CD1 4Å; L379-I381 HydrophobicContact CD1-CG1 3.65Å; L379-I381 HydrophobicContact CG-CG1 4.33Å; I381-N383 VanDerWaalsContact C-N 3.28Å; I381-N383 PolarHBondContact O-N 2.77Å; I381-K384 PolarHBondContact N-O 2.69Å; I381-K384 WeakPolarHBondContact O-CB 3.06Å; I381-K384 PolarHBondContact O-N 3.32Å; I381-H386 HydrophobicContact CD1-CB 4.45Å; I381-L432 HydrophobicContact CG1-CD2 3.82Å; I381-W448 HydrophobicContact CD1-CE3 4.27Å; I381-W448 HydrophobicContact CD1-CH2 4.39Å; I381-W448 HydrophobicContact CD1-CZ3 4.17Å; I381-W448 HydrophobicContact CG2-CD2 3.92Å; I381-W448 HydrophobicContact CG2-CG 4.36Å; I381-W448 HydrophobicContact CG2-CH2 4.24Å; I381-W448 HydrophobicContact CG2-CZ2 3.57Å; I381-F453 HydrophobicContact CD1-CE2 4.35Å; I381-F453 HydrophobicContact CD1-CZ 4.37Å
382	S	91.3	Very high	97.4	Very high	96 Å²	96	31.9 Å²	31.9	67%	0.671	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	47.9	-175.7	-54.4	0	0	0	0	112.5	K384	S382-K384 PolarHBondContact O-N 2.83Å
383	N	91.4	Very high	97.3	Very high	128 Å²	128	30.3 Å²	30.3	68%	0.684	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	22.1	-178.2	-53.5	-25.3	0	0	0	114.7	I381	I381-N383 VanDerWaalsContact C-N 3.28Å; I381-N383 PolarHBondContact O-N 2.77Å
384	K	95.9	Very high	97.2	Very high	112 Å²	112	34.2 Å²	34.2	49%	0.487	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130.7	172	-65.1	-179.1	-175.7	178.3	0	108.9	E380 I381 S382 H386	E380-K384 WeakPolarHBondContact CA-O 2.94Å; I381-K384 PolarHBondContact N-O 2.69Å; I381-K384 WeakPolarHBondContact O-CB 3.06Å; I381-K384 PolarHBondContact O-N 3.32Å; S382-K384 PolarHBondContact O-N 2.83Å; K384-H386 PolarHBondContact O-CE1 2.77Å; K384-H386 PolarHBondContact O-ND1 2.85Å
385	P	98.3	Very high	97.1	Very high	7 Å²	7	38.6 Å²	38.6	5%	0.045	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	136.5	177.1	-18.3	29.2	0	0	0	111.7	I334 Y378 W401	I334-P385 HydrophobicContact CD1-CB 3.69Å; I334-P385 HydrophobicContact CD1-CG 4.07Å; I334-P385 HydrophobicContact CG1-CB 3.94Å; I334-P385 HydrophobicContact CG1-CG 3.91Å; I334-P385 HydrophobicContact CG2-CG 3.9Å; Y378-P385 HydrophobicContact CE2-CB 3.83Å; P385-W401 HydrophobicContact CB-CB 3.75Å; P385-W401 HydrophobicContact CB-CG 4.34Å; P385-W401 HydrophobicContact CG-CB 4.05Å; P385-W401 HydrophobicContact CG-CG 4.28Å; P385-W401 WeakPolarHBondContact O-CB 3.31Å; P385-W401 PolarHBondContact O-N 3.36Å
386	H	98.6	Very high	97.1	Very high	12 Å²	12	38.1 Å²	38.1	6%	0.056	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	155.1	176	-66.8	77	0	0	0	110.4	Y378 L379 I381 K384 Y399 Q400	Y378-H386 WeakPolarHBondContact CD2-O 3.21Å; L379-H386 HydrophobicContact CG-CB 4.42Å; L379-H386 PolarHBondContact N-O 2.84Å; L379-H386 VanDerWaalsContact N-O 3.13Å; L379-H386 PolarHBondContact O-N 2.81Å; I381-H386 HydrophobicContact CD1-CB 4.45Å; K384-H386 PolarHBondContact O-CE1 2.77Å; K384-H386 PolarHBondContact O-ND1 2.85Å; H386-Y399 CarbonylContact C-O 3.57Å; H386-Y399 WeakPolarHBondContact CA-O 3.48Å; H386-Y399 WeakPolarHBondContact CB-O 3.16Å; H386-Y399 PolarHBondContact CD2-O 2.89Å; H386-Y399 VanDerWaalsContact CD2-O 3.25Å; H386-Q400 PolarHBondContact CE1-NE2 2.88Å; H386-Q400 WeakPolarHBondContact NE2-CG 3.36Å; H386-Q400 PolarHBondContact NE2-NE2 2.77Å
387	L	98.8	Very high	97.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	141.5	164.9	-68.9	173.6	0	0	0	108.4	F332 V341 V353 L367 V376 E377 Y378 Y399 F408	F332-L387 HydrophobicContact CD1-CD2 4.34Å; F332-L387 HydrophobicContact CE1-CD2 3.88Å; F332-L387 HydrophobicContact CZ-CD1 4.33Å; F332-L387 HydrophobicContact CZ-CD2 4.31Å; V341-L387 HydrophobicContact CG1-CD2 4.36Å; V353-L387 HydrophobicContact CG2-CD1 4.23Å; L367-L387 HydrophobicContact CD1-CD1 3.92Å; V376-L387 HydrophobicContact CG2-CD2 4.02Å; E377-L387 CarbonylContact O-C 3.56Å; E377-L387 WeakPolarHBondContact O-CA 3.46Å; Y378-L387 HydrophobicContact CD2-CD2 4.03Å; L387-Y399 PolarHBondContact N-O 2.89Å; L387-Y399 PolarHBondContact O-N 3.04Å; L387-F408 HydrophobicContact CB-CD1 4.47Å; L387-F408 HydrophobicContact CB-CE1 4.39Å; L387-F408 HydrophobicContact CD1-CD1 4.14Å; L387-F408 HydrophobicContact CD1-CD2 3.67Å; L387-F408 HydrophobicContact CD1-CE1 4.03Å; L387-F408 HydrophobicContact CD1-CE2 3.53Å; L387-F408 HydrophobicContact CD1-CG 3.97Å; L387-F408 HydrophobicContact CD1-CZ 3.71Å; L387-F408 HydrophobicContact CD2-CZ 4.47Å; L387-F408 HydrophobicContact CG-CD1 4.11Å; L387-F408 HydrophobicContact CG-CD2 4.43Å; L387-F408 HydrophobicContact CG-CE1 3.7Å; L387-F408 HydrophobicContact CG-CE2 4.04Å; L387-F408 HydrophobicContact CG-CG 4.45Å; L387-F408 HydrophobicContact CG-CZ 3.66Å
388	I	98.7	Very high	97	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.4	167.5	-52.6	172.8	0	0	0	107.9	V376 E377 L379 P396 V397 V398 I414 I423 F453	V376-I388 WeakPolarHBondContact CA-O 3.25Å; E377-I388 PolarHBondContact N-O 2.96Å; E377-I388 PolarHBondContact O-N 2.85Å; L379-I388 HydrophobicContact CD1-CD1 4.42Å; L379-I388 HydrophobicContact CD2-CD1 3.44Å; L379-I388 VanDerWaalsContact CD2-CD1 3.44Å; L379-I388 HydrophobicContact CD2-CG1 3.59Å; I388-P396 HydrophobicContact CG2-CB 3.96Å; I388-V397 VanDerWaalsContact CA-O 3.29Å; I388-V397 WeakPolarHBondContact CA-O 3.4Å; I388-V398 HydrophobicContact CG1-CG1 4.48Å; I388-V398 HydrophobicContact CG1-CG2 4.24Å; I388-I414 HydrophobicContact CD1-CD1 4.36Å; I388-I414 HydrophobicContact CG2-CD1 4.17Å; I388-I423 HydrophobicContact CB-CD1 4.34Å; I388-I423 HydrophobicContact CG2-CD1 3.42Å; I388-I423 VanDerWaalsContact CG2-CD1 3.42Å; I388-F453 HydrophobicContact CD1-CE2 4.02Å; I388-F453 HydrophobicContact CD1-CZ 4.4Å
389	L	98.7	Very high	97	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	133.6	173.5	-60.5	-177	0	0	0	109.7	T351 L367 H368 V376 P396 V397 Y399	T351-L389 HydrophobicContact CG2-CD1 4.15Å; T351-L389 HydrophobicContact CG2-CD2 3.93Å; L367-L389 HydrophobicContact CB-CD1 4.06Å; L367-L389 HydrophobicContact CD1-CD1 4.45Å; H368-L389 HydrophobicContact CB-CD1 3.79Å; V376-L389 HydrophobicContact CB-CD2 3.55Å; V376-L389 HydrophobicContact CG2-CD2 3.45Å; V376-L389 VanDerWaalsContact CG2-CD2 3.45Å; L389-P396 CarbonylContact O-C 3.51Å; L389-P396 WeakPolarHBondContact O-CA 3.37Å; L389-V397 PolarHBondContact N-O 3.09Å; L389-V397 PolarHBondContact O-N 2.79Å; L389-Y399 HydrophobicContact CD1-CD2 4.34Å; L389-Y399 HydrophobicContact CD1-CE2 3.67Å; L389-Y399 HydrophobicContact CG-CD2 4.33Å; L389-Y399 HydrophobicContact CG-CE2 4.04Å
390	S	98.5	Very high	97	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	146.8	164	70.8	0	0	0	0	109.5	D373 T374 D375 V420 F421	D373-S390 CarbonylContact C-O 3.56Å; D373-S390 VanDerWaalsContact CA-O 3.25Å; D373-S390 WeakPolarHBondContact CA-O 3.44Å; T374-S390 PolarHBondContact N-O 2.6Å; T374-S390 PolarHBondContact OG1-O 2.84Å; T374-S390 PolarHBondContact OG1-OG 3.48Å; D375-S390 VanDerWaalsContact CB-OG 3.28Å; D375-S390 WeakPolarHBondContact CB-OG 3.47Å; D375-S390 PolarHBondContact N-OG 2.98Å; D375-S390 VanDerWaalsContact N-OG 3.13Å; D375-S390 PolarHBondContact O-N 2.88Å; D375-S390 VanDerWaalsContact O-N 3.08Å; S390-V420 WeakPolarHBondContact CB-O 3.41Å; S390-F421 PolarHBondContact OG-O 2.81Å
391	S	98	Very high	97.1	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.007	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	149.7	-179.5	-29.4	0	0	0	0	111.2	H368 R372 D373 S393 Q394	H368-S391 PolarHBondContact CE1-OG 3.03Å; H368-S391 PolarHBondContact ND1-OG 3.24Å; R372-S391 CarbonylContact O-C 3.55Å; R372-S391 WeakPolarHBondContact O-CA 3.25Å; R372-S391 VanDerWaalsContact O-CB 3.31Å; R372-S391 WeakPolarHBondContact O-CB 3.49Å; D373-S391 WeakPolarHBondContact OD1-CB 3.29Å; D373-S391 PolarHBondContact OD1-OG 3.27Å; S391-S393 PolarHBondContact O-N 3.01Å; S391-Q394 PolarHBondContact O-N 3.09Å; S391-Q394 VanDerWaalsContact O-N 3.16Å
392	S	96.6	Very high	97.2	Very high	47 Å²	47	37 Å²	37	33%	0.329	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	128.6	-178	-49.9	0	0	0	0	112.3	R372 Q394	R372-S392 PolarHBondContact O-N 3.39Å; S392-Q394 PolarHBondContact O-N 2.93Å
393	S	95.2	Very high	97.3	Very high	85 Å²	85	39.8 Å²	39.8	59%	0.594	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	30.1	-180	-45.2	0	0	0	0	114.3	S391 D419	S391-S393 PolarHBondContact O-N 3.01Å; S393-D419 WeakPolarHBondContact CA-OD1 3.5Å; S393-D419 PolarHBondContact N-OD1 2.91Å
394	Q	96.8	Very high	97.5	Very high	82 Å²	82	38.6 Å²	38.6	38%	0.383	20%	0.195	S	C	.	.	S	Bend	trans	-131.2	169.9	178.2	-62.7	-64.5	-53.4	0	0	111	Y371 S391 S392 D419	Y371-Q394 HydrophobicContact CD1-CG 3.85Å; Y371-Q394 HydrophobicContact CE1-CG 3.84Å; S391-Q394 PolarHBondContact O-N 3.09Å; S391-Q394 VanDerWaalsContact O-N 3.16Å; S392-Q394 PolarHBondContact O-N 2.93Å; Q394-D419 PolarHBondContact O-N 3.36Å
395	R	97.1	Very high	97.5	Very high	103 Å²	103	38.7 Å²	38.7	39%	0.389	20%	0.198	S	C	.	.			trans	-84.2	147.1	171.2	-61.7	-176.1	-176	172.9	-0.2	110.1	D413 M417 E418	R395-D413 HydrophobicContact CB-CB 4.2Å; R395-M417 WeakPolarHBondContact CA-O 3.29Å; R395-M417 WeakPolarHBondContact CG-O 3.49Å; R395-E418 HydrophobicContact CG-CG 3.76Å; R395-E418 IonicContact CZ-OE1 3.46Å; R395-E418 IonicContact NE-OE1 3.92Å; R395-E418 PolarHBondContact NE-OE1 3.32Å; R395-E418 IonicContact NH2-OE1 2.61Å; R395-E418 PolarHBondContact NH2-OE1 3.29Å
396	P	98.2	Very high	97.4	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	21%	0.213	C	C	.	.			trans	-59	138.2	171.4	-25.7	35.1	0	0	0	112.5	I388 L389 D413 I414 M417 V420 I423	I388-P396 HydrophobicContact CG2-CB 3.96Å; L389-P396 CarbonylContact O-C 3.51Å; L389-P396 WeakPolarHBondContact O-CA 3.37Å; P396-D413 CarbonylContact O-C 3.4Å; P396-D413 VanDerWaalsContact O-CA 3.28Å; P396-D413 WeakPolarHBondContact O-CA 3.12Å; P396-I414 HydrophobicContact CB-CB 4.09Å; P396-I414 HydrophobicContact CB-CD1 3.91Å; P396-I414 HydrophobicContact CB-CG1 4.06Å; P396-I414 HydrophobicContact CG-CB 4.36Å; P396-I414 PolarHBondContact O-N 2.88Å; P396-M417 WeakPolarHBondContact CD-O 3.46Å; P396-V420 HydrophobicContact CG-CB 3.85Å; P396-V420 HydrophobicContact CG-CG1 4.21Å; P396-V420 HydrophobicContact CG-CG2 3.64Å; P396-I423 HydrophobicContact CB-CD1 3.6Å; P396-I423 HydrophobicContact CG-CD1 3.85Å
397	V	97.9	Very high	97.4	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.018	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.8	-176.9	-173.3	0	0	0	0	110.2	I388 L389 Y399 R410 D413	I388-V397 VanDerWaalsContact CA-O 3.29Å; I388-V397 WeakPolarHBondContact CA-O 3.4Å; L389-V397 PolarHBondContact N-O 3.09Å; L389-V397 PolarHBondContact O-N 2.79Å; V397-Y399 HydrophobicContact CB-CE2 4.02Å; V397-Y399 HydrophobicContact CG1-CD2 4.11Å; V397-Y399 HydrophobicContact CG1-CE2 3.55Å; V397-R410 HydrophobicContact CG1-CG 3.72Å; V397-D413 WeakPolarHBondContact CG2-OD1 3.47Å
398	V	98	Very high	97.4	Very high	7 Å²	7	46.6 Å²	46.6	4%	0.042	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	123.7	177.2	-171.9	0	0	0	0	110.1	I388 R411 T412 I414	I388-V398 HydrophobicContact CG1-CG1 4.48Å; I388-V398 HydrophobicContact CG1-CG2 4.24Å; V398-R411 PolarHBondContact O-N 3.2Å; V398-T412 HydrophobicContact CB-CG2 4.1Å; V398-T412 HydrophobicContact CG2-CG2 4.17Å; V398-T412 PolarHBondContact N-O 2.75Å; V398-T412 PolarHBondContact O-N 3.42Å; V398-I414 HydrophobicContact CG2-CD1 4.3Å; V398-I414 HydrophobicContact CG2-CG1 3.86Å
399	Y	98.6	Very high	97.3	Very high	14 Å²	14	48.9 Å²	48.9	6%	0.055	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	144	171.5	-70.2	-97.8	0	0	0	110.4	L367 H386 L387 L389 V397 F408 D409 R410	L367-Y399 HydrophobicContact CD2-CD1 4.09Å; L367-Y399 HydrophobicContact CD2-CE1 3.9Å; H386-Y399 CarbonylContact C-O 3.57Å; H386-Y399 WeakPolarHBondContact CA-O 3.48Å; H386-Y399 WeakPolarHBondContact CB-O 3.16Å; H386-Y399 PolarHBondContact CD2-O 2.89Å; H386-Y399 VanDerWaalsContact CD2-O 3.25Å; L387-Y399 PolarHBondContact N-O 2.89Å; L387-Y399 PolarHBondContact O-N 3.04Å; L389-Y399 HydrophobicContact CD1-CD2 4.34Å; L389-Y399 HydrophobicContact CD1-CE2 3.67Å; L389-Y399 HydrophobicContact CG-CD2 4.33Å; L389-Y399 HydrophobicContact CG-CE2 4.04Å; V397-Y399 HydrophobicContact CB-CE2 4.02Å; V397-Y399 HydrophobicContact CG1-CD2 4.11Å; V397-Y399 HydrophobicContact CG1-CE2 3.55Å; Y399-F408 HydrophobicContact CD1-CB 4.25Å; Y399-D409 CarbonylContact C-O 3.56Å; Y399-D409 WeakPolarHBondContact CA-O 3.02Å; Y399-R410 HydrophobicContact CD1-CB 4.08Å; Y399-R410 HydrophobicContact CE1-CB 3.75Å; Y399-R410 HydrophobicContact CE1-CG 4.37Å
400	Q	98	Very high	97.3	Very high	26 Å²	26	55.2 Å²	55.2	12%	0.121	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	137	175.3	-178.9	168.5	42.6	0	0	110.9	H386 N402 F408 D409 R411	H386-Q400 PolarHBondContact CE1-NE2 2.88Å; H386-Q400 WeakPolarHBondContact NE2-CG 3.36Å; H386-Q400 PolarHBondContact NE2-NE2 2.77Å; Q400-N402 PolarHBondContact O-N 3.04Å; Q400-F408 WeakPolarHBondContact O-CA 3.19Å; Q400-D409 PolarHBondContact N-O 3.42Å; Q400-D409 PolarHBondContact O-N 2.02Å; Q400-R411 HydrophobicContact CB-CG 3.48Å; Q400-R411 VanDerWaalsContact CB-CG 3.48Å
401	W	98.3	Very high	97.1	Very high	12 Å²	12	62.5 Å²	62.5	5%	0.045	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	123.1	173.6	-177.7	-108.2	0	0	0	112	I334 F339 H364 P385 K406 F408	I334-W401 HydrophobicContact CD1-CD2 3.94Å; I334-W401 HydrophobicContact CD1-CE3 3.94Å; I334-W401 HydrophobicContact CD1-CG 4.28Å; I334-W401 HydrophobicContact CD1-CZ3 4.29Å; I334-W401 HydrophobicContact CG2-CD2 4.26Å; I334-W401 HydrophobicContact CG2-CG 4.33Å; I334-W401 HydrophobicContact CG2-CZ2 4.12Å; F339-W401 HydrophobicContact CE1-CH2 4.41Å; F339-W401 HydrophobicContact CZ-CH2 4.02Å; H364-W401 AromaticContact NE2-CH2 3.87Å; P385-W401 HydrophobicContact CB-CB 3.75Å; P385-W401 HydrophobicContact CB-CG 4.34Å; P385-W401 HydrophobicContact CG-CB 4.05Å; P385-W401 HydrophobicContact CG-CG 4.28Å; P385-W401 WeakPolarHBondContact O-CB 3.31Å; P385-W401 PolarHBondContact O-N 3.36Å; W401-K406 HydrophobicContact CH2-CB 3.93Å; W401-K406 WeakPolarHBondContact CH2-O 3.39Å; W401-K406 VanDerWaalsContact CZ2-CA 3.42Å; W401-K406 HydrophobicContact CZ2-CB 3.7Å; W401-K406 HydrophobicContact CZ2-CG 4.22Å; W401-K406 WeakPolarHBondContact CZ3-O 3.35Å; W401-F408 HydrophobicContact CB-CD1 4.22Å; W401-F408 HydrophobicContact CB-CE1 3.91Å; W401-F408 HydrophobicContact CB-CZ 4.47Å; W401-F408 HydrophobicContact CE3-CD1 4.29Å; W401-F408 AromaticContact CE3-CD2 3.74Å; W401-F408 HydrophobicContact CE3-CD2 3.74Å; W401-F408 HydrophobicContact CE3-CE1 4.14Å; W401-F408 AromaticContact CE3-CE2 3.58Å; W401-F408 HydrophobicContact CE3-CE2 3.58Å; W401-F408 HydrophobicContact CE3-CG 4.1Å; W401-F408 AromaticContact CE3-CZ 3.8Å; W401-F408 HydrophobicContact CE3-CZ 3.8Å; W401-F408 AromaticContact CZ3-CD2 3.99Å; W401-F408 HydrophobicContact CZ3-CD2 3.99Å; W401-F408 AromaticContact CZ3-CE2 3.83Å; W401-F408 HydrophobicContact CZ3-CE2 3.83Å; W401-F408 HydrophobicContact CZ3-CZ 4.43Å
402	N	97.6	Very high	97	Very high	40 Å²	40	66 Å²	66	21%	0.214	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	109.2	171.1	-175.7	-25.5	0	0	0	109.4	Q400 S404 Q405 K406 K407 D409	Q400-N402 PolarHBondContact O-N 3.04Å; N402-S404 VanDerWaalsContact C-N 3.3Å; N402-S404 PolarHBondContact O-N 2.8Å; N402-S404 PolarHBondContact OD1-N 2.76Å; N402-S404 PolarHBondContact OD1-OG 2.95Å; N402-Q405 PolarHBondContact ND2-OE1 3.24Å; N402-Q405 VanDerWaalsContact ND2-OE1 3.17Å; N402-Q405 PolarHBondContact O-N 2.78Å; N402-Q405 PolarHBondContact OD1-N 3.02Å; N402-K406 VanDerWaalsContact O-CA 3.24Å; N402-K406 WeakPolarHBondContact O-CA 3.37Å; N402-K406 PolarHBondContact O-N 2.9Å; N402-K407 WeakPolarHBondContact CA-O 3.39Å; N402-K407 WeakPolarHBondContact CB-O 3.47Å; N402-K407 PolarHBondContact N-O 3.13Å; N402-K407 PolarHBondContact O-N 2.78Å; N402-D409 VanDerWaalsContact CB-OD2 3.22Å; N402-D409 WeakPolarHBondContact CB-OD2 2.98Å; N402-D409 PolarHBondContact ND2-OD2 3.01Å
403	R	94.8	Very high	96.9	Very high	155 Å²	155	66.2 Å²	66.2	59%	0.585	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-29.5	-178.1	-70.5	-172.3	176	-167.7	-1.7	113.7
404	S	95.3	Very high	96.9	Very high	104 Å²	104	62.4 Å²	62.4	73%	0.727	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-39.9	-178.6	69.1	0	0	0	0	111.7	N402	N402-S404 VanDerWaalsContact C-N 3.3Å; N402-S404 PolarHBondContact O-N 2.8Å; N402-S404 PolarHBondContact OD1-N 2.76Å; N402-S404 PolarHBondContact OD1-OG 2.95Å
405	Q	95.8	Very high	96.7	Very high	114 Å²	114	60.2 Å²	60.2	53%	0.533	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-11.4	178.5	-65.9	-178	-51.1	0	0	112.9	N402 K407	N402-Q405 PolarHBondContact ND2-OE1 3.24Å; N402-Q405 VanDerWaalsContact ND2-OE1 3.17Å; N402-Q405 PolarHBondContact O-N 2.78Å; N402-Q405 PolarHBondContact OD1-N 3.02Å; Q405-K407 HydrophobicContact CB-CB 4.34Å; Q405-K407 PolarHBondContact O-N 3.23Å
406	K	96.3	Very high	96.2	Very high	86 Å²	86	61 Å²	61	37%	0.374	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	46.9	-168.1	-64.4	-170.6	166.5	-155.6	0	111.3	E337 H364 W401 N402	E337-K406 IonicContact OE1-NZ 3.61Å; E337-K406 IonicContact OE2-NZ 2.88Å; E337-K406 PolarHBondContact OE2-NZ 2.96Å; H364-K406 PolarHBondContact CE1-O 2.76Å; H364-K406 VanDerWaalsContact CE1-O 3.27Å; H364-K406 PolarHBondContact NE2-O 2.76Å; W401-K406 HydrophobicContact CH2-CB 3.93Å; W401-K406 WeakPolarHBondContact CH2-O 3.39Å; W401-K406 VanDerWaalsContact CZ2-CA 3.42Å; W401-K406 HydrophobicContact CZ2-CB 3.7Å; W401-K406 HydrophobicContact CZ2-CG 4.22Å; W401-K406 WeakPolarHBondContact CZ3-O 3.35Å; N402-K406 VanDerWaalsContact O-CA 3.24Å; N402-K406 WeakPolarHBondContact O-CA 3.37Å; N402-K406 PolarHBondContact O-N 2.9Å
407	K	97.8	Very high	95.8	Very high	96 Å²	96	61 Å²	61	42%	0.417	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	160.7	-177.8	-76	-175.6	-177.8	-179	0	110.5	N402 Q405	N402-K407 WeakPolarHBondContact CA-O 3.39Å; N402-K407 WeakPolarHBondContact CB-O 3.47Å; N402-K407 PolarHBondContact N-O 3.13Å; N402-K407 PolarHBondContact O-N 2.78Å; Q405-K407 HydrophobicContact CB-CB 4.34Å; Q405-K407 PolarHBondContact O-N 3.23Å
408	F	98.5	Very high	95.5	Very high	2 Å²	2	65.6 Å²	65.6	1%	0.009	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	120.2	173.9	-76.6	-76.4	0	0	0	111.4	F332 I334 V353 Q365 L367 L387 Y399 Q400 W401	F332-F408 AromaticContact CE2-CE2 3.93Å; F332-F408 HydrophobicContact CE2-CE2 3.93Å; F332-F408 HydrophobicContact CE2-CZ 4.02Å; F332-F408 AromaticContact CZ-CE2 3.94Å; F332-F408 HydrophobicContact CZ-CE2 3.94Å; F332-F408 HydrophobicContact CZ-CZ 4.23Å; I334-F408 HydrophobicContact CD1-CE2 4.29Å; I334-F408 HydrophobicContact CD1-CZ 3.73Å; V353-F408 HydrophobicContact CG2-CD2 4.35Å; Q365-F408 PolarHBondContact NE2-O 3.5Å; L367-F408 HydrophobicContact CD2-CB 4.27Å; L387-F408 HydrophobicContact CB-CD1 4.47Å; L387-F408 HydrophobicContact CB-CE1 4.39Å; L387-F408 HydrophobicContact CD1-CD1 4.14Å; L387-F408 HydrophobicContact CD1-CD2 3.67Å; L387-F408 HydrophobicContact CD1-CE1 4.03Å; L387-F408 HydrophobicContact CD1-CE2 3.53Å; L387-F408 HydrophobicContact CD1-CG 3.97Å; L387-F408 HydrophobicContact CD1-CZ 3.71Å; L387-F408 HydrophobicContact CD2-CZ 4.47Å; L387-F408 HydrophobicContact CG-CD1 4.11Å; L387-F408 HydrophobicContact CG-CD2 4.43Å; L387-F408 HydrophobicContact CG-CE1 3.7Å; L387-F408 HydrophobicContact CG-CE2 4.04Å; L387-F408 HydrophobicContact CG-CG 4.45Å; L387-F408 HydrophobicContact CG-CZ 3.66Å; Y399-F408 HydrophobicContact CD1-CB 4.25Å; Q400-F408 WeakPolarHBondContact O-CA 3.19Å; W401-F408 HydrophobicContact CB-CD1 4.22Å; W401-F408 HydrophobicContact CB-CE1 3.91Å; W401-F408 HydrophobicContact CB-CZ 4.47Å; W401-F408 HydrophobicContact CE3-CD1 4.29Å; W401-F408 AromaticContact CE3-CD2 3.74Å; W401-F408 HydrophobicContact CE3-CD2 3.74Å; W401-F408 HydrophobicContact CE3-CE1 4.14Å; W401-F408 AromaticContact CE3-CE2 3.58Å; W401-F408 HydrophobicContact CE3-CE2 3.58Å; W401-F408 HydrophobicContact CE3-CG 4.1Å; W401-F408 AromaticContact CE3-CZ 3.8Å; W401-F408 HydrophobicContact CE3-CZ 3.8Å; W401-F408 AromaticContact CZ3-CD2 3.99Å; W401-F408 HydrophobicContact CZ3-CD2 3.99Å; W401-F408 AromaticContact CZ3-CE2 3.83Å; W401-F408 HydrophobicContact CZ3-CE2 3.83Å; W401-F408 HydrophobicContact CZ3-CZ 4.43Å
409	D	98.1	Very high	95.4	Very high	49 Å²	49	68.3 Å²	68.3	26%	0.262	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	135.3	173.9	-68.1	-32.8	0	0	0	110.1	Y399 Q400 N402 R411	Y399-D409 CarbonylContact C-O 3.56Å; Y399-D409 WeakPolarHBondContact CA-O 3.02Å; Q400-D409 PolarHBondContact N-O 3.42Å; Q400-D409 PolarHBondContact O-N 2.02Å; N402-D409 VanDerWaalsContact CB-OD2 3.22Å; N402-D409 WeakPolarHBondContact CB-OD2 2.98Å; N402-D409 PolarHBondContact ND2-OD2 3.01Å; D409-R411 PolarHBondContact O-N 2.94Å
410	R	97.3	Very high	95.3	Very high	133 Å²	133	67.8 Å²	67.8	50%	0.502	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	129.4	174.8	-174.9	177.2	-177.6	-88.5	5.4	109.4	V397 Y399 D413	V397-R410 HydrophobicContact CG1-CG 3.72Å; Y399-R410 HydrophobicContact CD1-CB 4.08Å; Y399-R410 HydrophobicContact CE1-CB 3.75Å; Y399-R410 HydrophobicContact CE1-CG 4.37Å; R410-D413 IonicContact CZ-OD1 3.33Å; R410-D413 IonicContact CZ-OD2 3.3Å; R410-D413 IonicContact NE-OD1 3.76Å; R410-D413 IonicContact NH2-OD1 3.88Å; R410-D413 PolarHBondContact NH2-OD1 3.27Å; R410-D413 IonicContact NH2-OD2 2.74Å; R410-D413 PolarHBondContact NH2-OD2 3.37Å
411	R	95	Very high	95.4	Very high	152 Å²	152	68.9 Å²	68.9	57%	0.574	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	-63.5	-179.2	-71	-56.5	-154.8	-175.3	0.9	113	V398 Q400 D409	V398-R411 PolarHBondContact O-N 3.2Å; Q400-R411 HydrophobicContact CB-CG 3.48Å; Q400-R411 VanDerWaalsContact CB-CG 3.48Å; D409-R411 PolarHBondContact O-N 2.94Å
412	T	95.1	Very high	95.3	Very high	76 Å²	76	68.7 Å²	68.7	47%	0.466	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	162.7	-172.3	-171.1	0	0	0	0	110.2	V398	V398-T412 HydrophobicContact CB-CG2 4.1Å; V398-T412 HydrophobicContact CG2-CG2 4.17Å; V398-T412 PolarHBondContact N-O 2.75Å; V398-T412 PolarHBondContact O-N 3.42Å
413	D	95.4	Very high	95.4	Very high	51 Å²	51	66.8 Å²	66.8	27%	0.273	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	154.2	164.2	-56.2	-39	0	0	0	109.9	R395 P396 V397 R410 P415	R395-D413 HydrophobicContact CB-CB 4.2Å; P396-D413 CarbonylContact O-C 3.4Å; P396-D413 VanDerWaalsContact O-CA 3.28Å; P396-D413 WeakPolarHBondContact O-CA 3.12Å; V397-D413 WeakPolarHBondContact CG2-OD1 3.47Å; R410-D413 IonicContact CZ-OD1 3.33Å; R410-D413 IonicContact CZ-OD2 3.3Å; R410-D413 IonicContact NE-OD1 3.76Å; R410-D413 IonicContact NH2-OD1 3.88Å; R410-D413 PolarHBondContact NH2-OD1 3.27Å; R410-D413 IonicContact NH2-OD2 2.74Å; R410-D413 PolarHBondContact NH2-OD2 3.37Å; D413-P415 WeakPolarHBondContact O-CD 3.36Å
414	I	96	Very high	95.6	Very high	4 Å²	4	60.9 Å²	60.9	2%	0.021	30%	0.299	C	S	.	.			trans	-80.5	115.6	165.4	-57	-175.8	0	0	0	107	I388 P396 V398 I434 M446 F453	I388-I414 HydrophobicContact CD1-CD1 4.36Å; I388-I414 HydrophobicContact CG2-CD1 4.17Å; P396-I414 HydrophobicContact CB-CB 4.09Å; P396-I414 HydrophobicContact CB-CD1 3.91Å; P396-I414 HydrophobicContact CB-CG1 4.06Å; P396-I414 HydrophobicContact CG-CB 4.36Å; P396-I414 PolarHBondContact O-N 2.88Å; V398-I414 HydrophobicContact CG2-CD1 4.3Å; V398-I414 HydrophobicContact CG2-CG1 3.86Å; I414-I434 HydrophobicContact CD1-CD1 3.71Å; I414-M446 HydrophobicContact CG2-CE 4.49Å; I414-M446 HydrophobicContact CG2-SD 3.87Å; I414-F453 HydrophobicContact CD1-CD2 3.88Å; I414-F453 HydrophobicContact CD1-CE2 4.4Å; I414-F453 HydrophobicContact CG1-CD2 4.3Å; I414-F453 HydrophobicContact CG2-CB 4.45Å
415	P	91.3	Very high	95.7	Very high	37 Å²	37	58.8 Å²	58.8	24%	0.24	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	168.5	-176.4	30.5	-33.5	0	0	0	112.1	D413 M417 M452	D413-P415 WeakPolarHBondContact O-CD 3.36Å; P415-M417 PolarHBondContact O-N 3.29Å; P415-M452 HydrophobicContact CG-CE 3.35Å
416	D	87.3	Confident	95.8	Very high	120 Å²	120	53.9 Å²	53.9	64%	0.642	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	16.1	169.6	-49.7	-41.7	0	0	0	116	R444	D416-R444 PolarHBondContact O-NH1 3.19Å; D416-R444 VanDerWaalsContact O-NH1 3.08Å; D416-R444 PolarHBondContact O-NH2 3.49Å
417	M	88.6	Confident	95.8	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	26%	0.257	C	S	.	.			trans	-138.5	110.6	175	-83.4	-68	-94.4	0	0	110.6	R395 P396 P415 V420 L436 R438 R444 M446	R395-M417 WeakPolarHBondContact CA-O 3.29Å; R395-M417 WeakPolarHBondContact CG-O 3.49Å; P396-M417 WeakPolarHBondContact CD-O 3.46Å; P415-M417 PolarHBondContact O-N 3.29Å; M417-V420 HydrophobicContact CB-CG2 3.94Å; M417-V420 HydrophobicContact CE-CG2 3.98Å; M417-L436 HydrophobicContact CB-CD1 4.23Å; M417-L436 HydrophobicContact CE-CB 3.49Å; M417-L436 VanDerWaalsContact CE-CB 3.49Å; M417-L436 HydrophobicContact CE-CD1 3.68Å; M417-L436 HydrophobicContact CE-CG 4.25Å; M417-L436 HydrophobicContact CG-CD1 3.82Å; M417-R438 HydrophobicContact CE-CG 4.27Å; M417-R444 HydrophobicContact CE-CB 3.94Å; M417-R444 HydrophobicContact CE-CG 3.64Å; M417-R444 WeakPolarHBondContact SD-CD 3.48Å; M417-R444 HydrophobicContact SD-CG 3.87Å; M417-R444 PolarHBondContact SD-NE 2.71Å; M417-M446 HydrophobicContact CB-CE 4.5Å; M417-M446 HydrophobicContact CG-CE 3.5Å; M417-M446 VanDerWaalsContact CG-CE 3.5Å
418	E	92.1	Very high	95.7	Very high	99 Å²	99	51.6 Å²	51.6	46%	0.463	24%	0.243	S	C	.	.			trans	-114.5	151.6	174.8	-69.1	176.5	-173.6	0	0	109.6	R395 V420 R438	R395-E418 HydrophobicContact CG-CG 3.76Å; R395-E418 IonicContact CZ-OE1 3.46Å; R395-E418 IonicContact NE-OE1 3.92Å; R395-E418 PolarHBondContact NE-OE1 3.32Å; R395-E418 IonicContact NH2-OE1 2.61Å; R395-E418 PolarHBondContact NH2-OE1 3.29Å; E418-V420 VanDerWaalsContact C-N 3.31Å; E418-V420 PolarHBondContact O-N 2.93Å; E418-R438 PolarHBondContact O-NE 2.91Å; E418-R438 PolarHBondContact O-NH1 3.24Å; E418-R438 PolarHBondContact O-NH2 3.27Å
419	D	95.8	Very high	95.3	Very high	64 Å²	64	60 Å²	60	34%	0.342	28%	0.279	S	S	.	.	S	Bend	trans	60.4	41.5	177.6	-155.3	39.8	0	0	0	112.8	S393 Q394	S393-D419 WeakPolarHBondContact CA-OD1 3.5Å; S393-D419 PolarHBondContact N-OD1 2.91Å; Q394-D419 PolarHBondContact O-N 3.36Å
420	V	97.9	Very high	95	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.012	30%	0.296	C	S	.	.			trans	-73	128	170.1	178.3	0	0	0	0	108.4	S390 P396 M417 E418 S422 I423 L436	S390-V420 WeakPolarHBondContact CB-O 3.41Å; P396-V420 HydrophobicContact CG-CB 3.85Å; P396-V420 HydrophobicContact CG-CG1 4.21Å; P396-V420 HydrophobicContact CG-CG2 3.64Å; M417-V420 HydrophobicContact CB-CG2 3.94Å; M417-V420 HydrophobicContact CE-CG2 3.98Å; E418-V420 VanDerWaalsContact C-N 3.31Å; E418-V420 PolarHBondContact O-N 2.93Å; V420-S422 WeakPolarHBondContact CG1-O 3.07Å; V420-I423 HydrophobicContact CG1-CD1 4.21Å; V420-I423 HydrophobicContact CG1-CG1 3.8Å; V420-L436 HydrophobicContact CG1-CB 4.21Å; V420-L436 HydrophobicContact CG1-CD2 4.13Å
421	F	98.2	Very high	94.9	Very high	49 Å²	49	58.1 Å²	58.1	22%	0.215	29%	0.291	C	S	.	.			trans	-82.6	-51	178.6	178.7	-101.5	0	0	0	111.6	T374 S390 T437 M465	T374-F421 WeakPolarHBondContact CB-O 3.43Å; T374-F421 HydrophobicContact CG2-CD2 4.39Å; T374-F421 HydrophobicContact CG2-CE2 4.45Å; T374-F421 PolarHBondContact OG1-O 3.41Å; S390-F421 PolarHBondContact OG-O 2.81Å; F421-T437 PolarHBondContact N-O 3.01Å; F421-M465 WeakPolarHBondContact CD1-O 3.46Å; F421-M465 HydrophobicContact CD1-SD 4.49Å; F421-M465 HydrophobicContact CD2-CE 4.43Å; F421-M465 HydrophobicContact CE1-CB 4.38Å; F421-M465 HydrophobicContact CE1-CE 3.79Å; F421-M465 VanDerWaalsContact CE1-O 3.24Å; F421-M465 WeakPolarHBondContact CE1-O 3.23Å; F421-M465 HydrophobicContact CE1-SD 4.24Å; F421-M465 HydrophobicContact CE2-CE 3.63Å; F421-M465 HydrophobicContact CE2-SD 4.25Å; F421-M465 HydrophobicContact CZ-CE 3.26Å; F421-M465 HydrophobicContact CZ-SD 4.13Å
422	S	98.2	Very high	95	Very high	9 Å²	9	51.2 Å²	51.2	6%	0.063	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	159.2	-178.1	63.1	0	0	0	0	112.8	V420 T437	V420-S422 WeakPolarHBondContact CG1-O 3.07Å; S422-T437 PolarHBondContact O-N 3.21Å; S422-T437 PolarHBondContact O-OG1 2.66Å; S422-T437 VanDerWaalsContact OG-CB 3.3Å; S422-T437 WeakPolarHBondContact OG-CB 3Å; S422-T437 PolarHBondContact OG-OG1 3.13Å
423	I	98.4	Very high	95.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	130.2	-174.9	-54	-179.7	0	0	0	108.4	D375 E377 I388 P396 V420 I434 C435 L436	D375-I423 PolarHBondContact OD2-N 2.8Å; E377-I423 HydrophobicContact CB-CB 4.26Å; E377-I423 HydrophobicContact CB-CG2 4.27Å; E377-I423 HydrophobicContact CG-CG2 4.42Å; I388-I423 HydrophobicContact CB-CD1 4.34Å; I388-I423 HydrophobicContact CG2-CD1 3.42Å; I388-I423 VanDerWaalsContact CG2-CD1 3.42Å; P396-I423 HydrophobicContact CB-CD1 3.6Å; P396-I423 HydrophobicContact CG-CD1 3.85Å; V420-I423 HydrophobicContact CG1-CD1 4.21Å; V420-I423 HydrophobicContact CG1-CG1 3.8Å; I423-I434 HydrophobicContact CG2-CB 4.27Å; I423-I434 HydrophobicContact CG2-CG2 4.42Å; I423-C435 WeakPolarHBondContact CA-O 2.78Å; I423-L436 HydrophobicContact CB-CD2 4.24Å; I423-L436 HydrophobicContact CD1-CD2 3.76Å; I423-L436 HydrophobicContact CG1-CD2 3.57Å; I423-L436 HydrophobicContact CG2-CD2 3.9Å
424	K	98.7	Very high	95.3	Very high	30 Å²	30	45.3 Å²	45.3	13%	0.13	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	132.4	174.9	-67.4	-73.1	161.3	-101.2	0	110.1	D375 E377 I434 C435 P469	D375-K424 IonicContact OD1-NZ 2.69Å; D375-K424 PolarHBondContact OD1-NZ 2.98Å; D375-K424 IonicContact OD2-NZ 2.75Å; D375-K424 PolarHBondContact OD2-NZ 2.79Å; E377-K424 WeakPolarHBondContact OE1-CA 3.31Å; E377-K424 WeakPolarHBondContact OE2-CD 3.33Å; E377-K424 IonicContact OE2-NZ 3.14Å; E377-K424 PolarHBondContact OE2-NZ 3.34Å; K424-I434 CarbonylContact O-C 3.49Å; K424-I434 WeakPolarHBondContact O-CA 3.39Å; K424-C435 PolarHBondContact N-O 3.41Å; K424-C435 VanDerWaalsContact N-O 3.08Å; K424-C435 PolarHBondContact O-N 2.86Å; K424-P469 VanDerWaalsContact CB-CD 3.45Å; K424-P469 HydrophobicContact CB-CG 3.95Å
425	H	98.6	Very high	95.4	Very high	61 Å²	61	45.1 Å²	45.1	28%	0.282	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	156.4	-177.9	81.6	-79.6	0	0	0	112.9	E377 Y378 L379 L432 F433 I434	E377-H425 IonicContact OE1-CE1 3.25Å; E377-H425 IonicContact OE1-CG 3.68Å; E377-H425 PolarHBondContact OE1-N 3.06Å; E377-H425 IonicContact OE1-ND1 3.76Å; E377-H425 PolarHBondContact OE1-ND1 3.05Å; Y378-H425 PolarHBondContact O-CE1 2.8Å; Y378-H425 PolarHBondContact O-ND1 2.96Å; L379-H425 HydrophobicContact CB-CB 4.44Å; H425-L432 HydrophobicContact CB-CD1 4.15Å; H425-F433 VanDerWaalsContact CA-O 3.29Å; H425-F433 WeakPolarHBondContact CA-O 3.36Å; H425-F433 WeakPolarHBondContact CB-O 3.46Å; H425-I434 HydrophobicContact CB-CG2 3.89Å
426	F	98	Very high	95.8	Very high	11 Å²	11	43.4 Å²	43.4	5%	0.048	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	166.4	170.4	69.2	-80.4	0	0	0	110.8	V428 F433 V445 P469 Q476 W492 F499	F426-V428 HydrophobicContact CD2-CG2 3.86Å; F426-V428 HydrophobicContact CE2-CG2 3.79Å; F426-F433 HydrophobicContact CD1-CB 3.76Å; F426-F433 HydrophobicContact CD2-CB 4.2Å; F426-F433 HydrophobicContact CD2-CD2 4.37Å; F426-F433 HydrophobicContact CE1-CB 3.27Å; F426-F433 HydrophobicContact CE1-CG 4.18Å; F426-F433 HydrophobicContact CE2-CB 3.75Å; F426-F433 AromaticContact CE2-CD2 3.86Å; F426-F433 HydrophobicContact CE2-CD2 3.86Å; F426-F433 AromaticContact CE2-CG 3.88Å; F426-F433 HydrophobicContact CE2-CG 3.88Å; F426-F433 HydrophobicContact CG-CB 4.2Å; F426-F433 HydrophobicContact CZ-CB 3.25Å; F426-F433 HydrophobicContact CZ-CD1 4.22Å; F426-F433 HydrophobicContact CZ-CD2 4.12Å; F426-F433 AromaticContact CZ-CG 3.64Å; F426-F433 HydrophobicContact CZ-CG 3.64Å; F426-F433 PolarHBondContact N-O 3.39Å; F426-F433 PolarHBondContact O-N 3.21Å; F426-V445 HydrophobicContact CE1-CG1 4.18Å; F426-V445 HydrophobicContact CZ-CG1 4.1Å; F426-P469 HydrophobicContact CB-CB 3.67Å; F426-P469 HydrophobicContact CB-CG 3.99Å; F426-P469 HydrophobicContact CD1-CB 3.69Å; F426-P469 HydrophobicContact CD1-CG 4.06Å; F426-P469 HydrophobicContact CG-CB 3.84Å; F426-P469 HydrophobicContact CG-CG 4.4Å; F426-Q476 HydrophobicContact CD2-CG 3.99Å; F426-Q476 HydrophobicContact CE2-CG 4.21Å; F426-W492 HydrophobicContact CE2-CE3 4.27Å; F426-W492 HydrophobicContact CE2-CZ3 4.21Å; F426-W492 HydrophobicContact CZ-CE3 4.42Å; F426-W492 HydrophobicContact CZ-CZ3 4.09Å; F426-F499 AromaticContact CE1-CE2 3.92Å; F426-F499 HydrophobicContact CE1-CE2 3.92Å; F426-F499 HydrophobicContact CE1-CZ 4.23Å; F426-F499 HydrophobicContact CE2-CE2 4.11Å; F426-F499 AromaticContact CE2-CZ 3.91Å; F426-F499 HydrophobicContact CE2-CZ 3.91Å; F426-F499 AromaticContact CZ-CE2 3.44Å; F426-F499 HydrophobicContact CZ-CE2 3.44Å; F426-F499 VanDerWaalsContact CZ-CE2 3.44Å; F426-F499 AromaticContact CZ-CZ 3.69Å; F426-F499 HydrophobicContact CZ-CZ 3.69Å
427	R	96.4	Very high	96.3	Very high	112 Å²	112	37.7 Å²	37.7	42%	0.423	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	136.2	176.7	-65.8	-176.3	-174.8	-86.1	-2.8	111.7	E380 E431 L432	E380-R427 PolarHBondContact O-NH2 3.25Å; R427-E431 WeakPolarHBondContact CA-O 3.39Å; R427-L432 HydrophobicContact CG-CD1 4.35Å
428	V	95	Very high	96.7	Very high	22 Å²	22	40.4 Å²	40.4	13%	0.133	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	126.6	169.8	-179.9	0	0	0	0	108.3	F426 G430 E431 F433 Q476 W492	F426-V428 HydrophobicContact CD2-CG2 3.86Å; F426-V428 HydrophobicContact CE2-CG2 3.79Å; V428-G430 PolarHBondContact O-N 3.21Å; V428-G430 VanDerWaalsContact O-N 3.12Å; V428-E431 PolarHBondContact N-O 2.75Å; V428-E431 VanDerWaalsContact N-O 3.14Å; V428-E431 WeakPolarHBondContact O-CB 3.27Å; V428-E431 PolarHBondContact O-N 3.46Å; V428-F433 HydrophobicContact CB-CE2 4.27Å; V428-Q476 HydrophobicContact CG2-CB 4.23Å; V428-Q476 HydrophobicContact CG2-CG 3.9Å; V428-W492 HydrophobicContact CG2-CD2 4.33Å; V428-W492 HydrophobicContact CG2-CG 4.41Å
429	K	90.8	Very high	97	Very high	177 Å²	177	39.6 Å²	39.6	77%	0.77	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	33.8	-177.6	-61.4	176.1	178.9	175.8	0	113.4	E431	K429-E431 PolarHBondContact O-N 3.45Å
430	G	90.8	Very high	97	Very high	59 Å²	59	41.4 Å²	41.4	61%	0.608	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	82	-15.7	-178.7	0	0	0	0	0	115.2	V428	V428-G430 PolarHBondContact O-N 3.21Å; V428-G430 VanDerWaalsContact O-N 3.12Å
431	E	95	Very high	96.9	Very high	85 Å²	85	43.3 Å²	43.3	40%	0.397	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	141	173.7	-63.5	-167.2	132.4	0	0	110.6	R427 V428 K429 F433 R447	R427-E431 WeakPolarHBondContact CA-O 3.39Å; V428-E431 PolarHBondContact N-O 2.75Å; V428-E431 VanDerWaalsContact N-O 3.14Å; V428-E431 WeakPolarHBondContact O-CB 3.27Å; V428-E431 PolarHBondContact O-N 3.46Å; K429-E431 PolarHBondContact O-N 3.45Å; E431-F433 HydrophobicContact CB-CD2 4.41Å; E431-F433 HydrophobicContact CB-CE2 3.6Å; E431-F433 HydrophobicContact CB-CZ 4.1Å; E431-R447 IonicContact OE1-CZ 3.06Å; E431-R447 IonicContact OE1-NH1 3.9Å; E431-R447 PolarHBondContact OE1-NH1 3.03Å; E431-R447 IonicContact OE2-NH1 2.72Å
432	L	97.5	Very high	96.9	Very high	7 Å²	7	44.6 Å²	44.6	4%	0.037	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	130.4	-179.2	173.8	67.5	0	0	0	110.3	L379 I381 H425 R427 W448 F453	L379-L432 HydrophobicContact CD1-CD1 4.13Å; L379-L432 HydrophobicContact CD1-CD2 3.57Å; L379-L432 HydrophobicContact CD1-CG 4.37Å; I381-L432 HydrophobicContact CG1-CD2 3.82Å; H425-L432 HydrophobicContact CB-CD1 4.15Å; R427-L432 HydrophobicContact CG-CD1 4.35Å; L432-W448 HydrophobicContact CB-CB 4.02Å; L432-W448 HydrophobicContact CD2-CB 4.07Å; L432-W448 HydrophobicContact CD2-CG 4.37Å; L432-W448 HydrophobicContact CG-CB 4.26Å; L432-W448 PolarHBondContact O-N 2.82Å; L432-F453 HydrophobicContact CD2-CE1 4.24Å; L432-F453 HydrophobicContact CD2-CZ 4.08Å; L432-F453 HydrophobicContact CG-CE1 4.3Å
433	F	98.1	Very high	96.9	Very high	3 Å²	3	44.1 Å²	44.1	1%	0.013	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	158.7	175.3	-60.7	-97.3	0	0	0	110.8	H425 F426 V428 E431 V445 M446 R447 V456 W492	H425-F433 VanDerWaalsContact CA-O 3.29Å; H425-F433 WeakPolarHBondContact CA-O 3.36Å; H425-F433 WeakPolarHBondContact CB-O 3.46Å; F426-F433 HydrophobicContact CD1-CB 3.76Å; F426-F433 HydrophobicContact CD2-CB 4.2Å; F426-F433 HydrophobicContact CD2-CD2 4.37Å; F426-F433 HydrophobicContact CE1-CB 3.27Å; F426-F433 HydrophobicContact CE1-CG 4.18Å; F426-F433 HydrophobicContact CE2-CB 3.75Å; F426-F433 AromaticContact CE2-CD2 3.86Å; F426-F433 HydrophobicContact CE2-CD2 3.86Å; F426-F433 AromaticContact CE2-CG 3.88Å; F426-F433 HydrophobicContact CE2-CG 3.88Å; F426-F433 HydrophobicContact CG-CB 4.2Å; F426-F433 HydrophobicContact CZ-CB 3.25Å; F426-F433 HydrophobicContact CZ-CD1 4.22Å; F426-F433 HydrophobicContact CZ-CD2 4.12Å; F426-F433 AromaticContact CZ-CG 3.64Å; F426-F433 HydrophobicContact CZ-CG 3.64Å; F426-F433 PolarHBondContact N-O 3.39Å; F426-F433 PolarHBondContact O-N 3.21Å; V428-F433 HydrophobicContact CB-CE2 4.27Å; E431-F433 HydrophobicContact CB-CD2 4.41Å; E431-F433 HydrophobicContact CB-CE2 3.6Å; E431-F433 HydrophobicContact CB-CZ 4.1Å; F433-V445 HydrophobicContact CD1-CG1 4.25Å; F433-M446 CarbonylContact C-O 3.56Å; F433-M446 WeakPolarHBondContact CA-O 3.44Å; F433-M446 WeakPolarHBondContact CB-O 3.38Å; F433-R447 HydrophobicContact CD1-CB 3.65Å; F433-R447 HydrophobicContact CD1-CG 3.95Å; F433-R447 HydrophobicContact CE1-CB 3.53Å; F433-R447 HydrophobicContact CE1-CG 3.56Å; F433-R447 HydrophobicContact CZ-CB 4.36Å; F433-R447 HydrophobicContact CZ-CG 3.87Å; F433-V456 HydrophobicContact CD1-CG2 4.32Å; F433-V456 HydrophobicContact CE1-CG2 4.15Å; F433-W492 HydrophobicContact CD1-CH2 4.22Å; F433-W492 AromaticContact CE1-CH2 3.65Å; F433-W492 HydrophobicContact CE1-CH2 3.65Å; F433-W492 HydrophobicContact CE1-CZ2 4.34Å; F433-W492 HydrophobicContact CE2-CH2 4.32Å; F433-W492 HydrophobicContact CE2-CZ2 4.42Å; F433-W492 AromaticContact CZ-CH2 3.72Å; F433-W492 HydrophobicContact CZ-CH2 3.72Å; F433-W492 AromaticContact CZ-CZ2 3.96Å; F433-W492 HydrophobicContact CZ-CZ2 3.96Å
434	I	98.4	Very high	96.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	139.8	171.7	58.7	177.3	0	0	0	110.2	I414 I423 K424 H425 L436 V445 M446 F453	I414-I434 HydrophobicContact CD1-CD1 3.71Å; I423-I434 HydrophobicContact CG2-CB 4.27Å; I423-I434 HydrophobicContact CG2-CG2 4.42Å; K424-I434 CarbonylContact O-C 3.49Å; K424-I434 WeakPolarHBondContact O-CA 3.39Å; H425-I434 HydrophobicContact CB-CG2 3.89Å; I434-L436 HydrophobicContact CD1-CD2 3.94Å; I434-L436 HydrophobicContact CD1-CG 4.3Å; I434-L436 HydrophobicContact CG1-CD2 4.44Å; I434-L436 HydrophobicContact CG1-CG 4.47Å; I434-V445 WeakPolarHBondContact O-CA 3.34Å; I434-M446 HydrophobicContact CD1-CB 4.36Å; I434-M446 HydrophobicContact CG1-CB 3.86Å; I434-M446 PolarHBondContact N-O 3.49Å; I434-M446 PolarHBondContact O-N 3.23Å; I434-F453 HydrophobicContact CB-CE1 4.35Å; I434-F453 HydrophobicContact CD1-CB 4.13Å; I434-F453 HydrophobicContact CD1-CD1 3.56Å; I434-F453 HydrophobicContact CD1-CD2 3.74Å; I434-F453 HydrophobicContact CD1-CE1 3.81Å; I434-F453 HydrophobicContact CD1-CE2 3.97Å; I434-F453 HydrophobicContact CD1-CG 3.52Å; I434-F453 HydrophobicContact CD1-CZ 4Å; I434-F453 HydrophobicContact CG1-CD1 3.69Å; I434-F453 HydrophobicContact CG1-CE1 3.84Å; I434-F453 HydrophobicContact CG1-CG 4.16Å; I434-F453 HydrophobicContact CG1-CZ 4.43Å; I434-F453 HydrophobicContact CG2-CD1 4.42Å; I434-F453 HydrophobicContact CG2-CE1 3.69Å; I434-F453 HydrophobicContact CG2-CZ 3.81Å
435	C	98.7	Very high	96.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	123.6	165.8	-65.9	0	0	0	0	108.1	I423 K424 F467	I423-C435 WeakPolarHBondContact CA-O 2.78Å; K424-C435 PolarHBondContact N-O 3.41Å; K424-C435 VanDerWaalsContact N-O 3.08Å; K424-C435 PolarHBondContact O-N 2.86Å; C435-F467 HydrophobicContact CB-CB 4.27Å; C435-F467 HydrophobicContact CB-CD1 3.77Å; C435-F467 HydrophobicContact CB-CE1 4.26Å; C435-F467 HydrophobicContact CB-CG 3.93Å; C435-F467 WeakPolarHBondContact CB-O 3.27Å
436	L	98.6	Very high	96.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	117.9	175.3	-60.6	178.3	0	0	0	108.8	M417 V420 I423 I434 S443 R444 M446	M417-L436 HydrophobicContact CB-CD1 4.23Å; M417-L436 HydrophobicContact CE-CB 3.49Å; M417-L436 VanDerWaalsContact CE-CB 3.49Å; M417-L436 HydrophobicContact CE-CD1 3.68Å; M417-L436 HydrophobicContact CE-CG 4.25Å; M417-L436 HydrophobicContact CG-CD1 3.82Å; V420-L436 HydrophobicContact CG1-CB 4.21Å; V420-L436 HydrophobicContact CG1-CD2 4.13Å; I423-L436 HydrophobicContact CB-CD2 4.24Å; I423-L436 HydrophobicContact CD1-CD2 3.76Å; I423-L436 HydrophobicContact CG1-CD2 3.57Å; I423-L436 HydrophobicContact CG2-CD2 3.9Å; I434-L436 HydrophobicContact CD1-CD2 3.94Å; I434-L436 HydrophobicContact CD1-CG 4.3Å; I434-L436 HydrophobicContact CG1-CD2 4.44Å; I434-L436 HydrophobicContact CG1-CG 4.47Å; L436-S443 CarbonylContact O-C 3.23Å; L436-S443 VanDerWaalsContact O-CA 3.24Å; L436-S443 WeakPolarHBondContact O-CA 3.09Å; L436-S443 WeakPolarHBondContact O-CB 3.3Å; L436-S443 PolarHBondContact O-OG 3.5Å; L436-R444 PolarHBondContact N-O 3.45Å; L436-R444 PolarHBondContact O-N 2.63Å; L436-M446 HydrophobicContact CD1-CE 3.66Å; L436-M446 HydrophobicContact CD1-CG 4.12Å; L436-M446 HydrophobicContact CD1-SD 3.58Å; L436-M446 VanDerWaalsContact CD1-SD 3.58Å
437	T	98.6	Very high	96.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	135.2	-178.5	-45.8	0	0	0	0	110.9	F421 S422 S443 F467	F421-T437 PolarHBondContact N-O 3.01Å; S422-T437 PolarHBondContact O-N 3.21Å; S422-T437 PolarHBondContact O-OG1 2.66Å; S422-T437 VanDerWaalsContact OG-CB 3.3Å; S422-T437 WeakPolarHBondContact OG-CB 3Å; S422-T437 PolarHBondContact OG-OG1 3.13Å; T437-S443 WeakPolarHBondContact CA-OG 3.49Å; T437-F467 HydrophobicContact CG2-CB 4.28Å; T437-F467 VanDerWaalsContact OG1-CB 3.24Å; T437-F467 WeakPolarHBondContact OG1-CB 3.11Å; T437-F467 PolarHBondContact OG1-N 2.61Å
438	R	97.9	Very high	96.7	Very high	59 Å²	59	43.8 Å²	43.8	22%	0.223	22%	0.221	C	C	.	.			trans	-123.3	146.1	165.9	-67.4	-172.2	70.2	162.6	2.8	110.6	M417 E418 D442 S443 S461 S464	M417-R438 HydrophobicContact CE-CG 4.27Å; E418-R438 PolarHBondContact O-NE 2.91Å; E418-R438 PolarHBondContact O-NH1 3.24Å; E418-R438 PolarHBondContact O-NH2 3.27Å; R438-D442 WeakPolarHBondContact CD-O 3.34Å; R438-S443 PolarHBondContact N-OG 3.13Å; R438-S461 WeakPolarHBondContact O-CB 3.16Å; R438-S461 PolarHBondContact O-OG 3.19Å; R438-S464 CarbonylContact C-O 3.53Å; R438-S464 WeakPolarHBondContact O-CB 3.45Å
439	Y	97.7	Very high	96.7	Very high	81 Å²	81	46.4 Å²	46.4	32%	0.318	24%	0.235	S	C	.	.	S	Bend	trans	-63.5	-48.7	175.7	-172.3	-104.1	0	0	0	112.1	G463 S464 M465 Y484	Y439-G463 CarbonylContact O-C 3.52Å; Y439-G463 WeakPolarHBondContact O-CA 3.33Å; Y439-G463 PolarHBondContact O-N 2.73Å; Y439-S464 VanDerWaalsContact CA-O 3.25Å; Y439-S464 WeakPolarHBondContact CA-O 3.33Å; Y439-S464 PolarHBondContact O-N 3.2Å; Y439-M465 HydrophobicContact CD2-CG 4.23Å; Y439-M465 HydrophobicContact CD2-SD 3.64Å; Y439-M465 HydrophobicContact CE2-CG 4.34Å; Y439-M465 HydrophobicContact CE2-SD 4.04Å; Y439-Y484 HydrophobicContact CE1-CE2 4.39Å; Y439-Y484 PolarHBondContact OH-OH 3.06Å
440	I	95.9	Very high	96.8	Very high	103 Å²	103	40.6 Å²	40.6	53%	0.528	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	160	175.6	52.9	169	0	0	0	110
441	G	95.9	Very high	96.8	Very high	42 Å²	42	41.5 Å²	41.5	43%	0.433	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	86.7	-141.6	-170.2	0	0	0	0	0	110.2	S461	G441-S461 WeakPolarHBondContact O-CA 3.25Å; G441-S461 WeakPolarHBondContact O-CB 3.27Å; G441-S461 PolarHBondContact O-N 3.33Å
442	D	97.4	Very high	96.7	Very high	75 Å²	75	40.2 Å²	40.2	40%	0.401	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	122.8	-175.1	-56.8	-38	0	0	0	111.7	R438 F459	R438-D442 WeakPolarHBondContact CD-O 3.34Å; D442-F459 CarbonylContact C-O 3.16Å; D442-F459 WeakPolarHBondContact CA-O 3.24Å
443	S	98.4	Very high	96.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	156.5	162	-71.4	0	0	0	0	108.8	L436 T437 R438 T458 F459 S461	L436-S443 CarbonylContact O-C 3.23Å; L436-S443 VanDerWaalsContact O-CA 3.24Å; L436-S443 WeakPolarHBondContact O-CA 3.09Å; L436-S443 WeakPolarHBondContact O-CB 3.3Å; L436-S443 PolarHBondContact O-OG 3.5Å; T437-S443 WeakPolarHBondContact CA-OG 3.49Å; R438-S443 PolarHBondContact N-OG 3.13Å; S443-T458 CarbonylContact O-C 3.29Å; S443-T458 WeakPolarHBondContact O-CA 3.49Å; S443-F459 PolarHBondContact N-O 2.96Å; S443-F459 PolarHBondContact O-N 3.05Å; S443-S461 VanDerWaalsContact CB-OG 3.24Å; S443-S461 WeakPolarHBondContact CB-OG 3.32Å; S443-S461 PolarHBondContact N-OG 2.86Å; S443-S461 VanDerWaalsContact N-OG 3.11Å; S443-S461 PolarHBondContact OG-OG 3.04Å
444	R	98.1	Very high	96.5	Very high	46 Å²	46	44.7 Å²	44.7	17%	0.174	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	148.7	-174.3	-55.7	-167.3	-174.2	165.4	17.9	112.4	D416 M417 L436 M446 E455 Q457 T458	D416-R444 PolarHBondContact O-NH1 3.19Å; D416-R444 VanDerWaalsContact O-NH1 3.08Å; D416-R444 PolarHBondContact O-NH2 3.49Å; M417-R444 HydrophobicContact CE-CB 3.94Å; M417-R444 HydrophobicContact CE-CG 3.64Å; M417-R444 WeakPolarHBondContact SD-CD 3.48Å; M417-R444 HydrophobicContact SD-CG 3.87Å; M417-R444 PolarHBondContact SD-NE 2.71Å; L436-R444 PolarHBondContact N-O 3.45Å; L436-R444 PolarHBondContact O-N 2.63Å; R444-M446 HydrophobicContact CB-CE 4.49Å; R444-E455 WeakPolarHBondContact CD-OE2 3.29Å; R444-E455 IonicContact CZ-OE2 2.81Å; R444-E455 VanDerWaalsContact CZ-OE2 3.26Å; R444-E455 IonicContact NE-OE2 2.81Å; R444-E455 PolarHBondContact NE-OE2 3.42Å; R444-E455 IonicContact NH1-OE2 3.78Å; R444-E455 PolarHBondContact NH1-OE2 3.2Å; R444-Q457 WeakPolarHBondContact CA-O 3.2Å; R444-T458 HydrophobicContact CG-CG2 4.17Å
445	V	98.3	Very high	96.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	128.7	163.1	171.3	0	0	0	0	108	F426 F433 I434 V456 Q457 F459 F467 F499	F426-V445 HydrophobicContact CE1-CG1 4.18Å; F426-V445 HydrophobicContact CZ-CG1 4.1Å; F433-V445 HydrophobicContact CD1-CG1 4.25Å; I434-V445 WeakPolarHBondContact O-CA 3.34Å; V445-V456 HydrophobicContact CG1-CB 4.42Å; V445-V456 PolarHBondContact O-N 3.45Å; V445-Q457 PolarHBondContact N-O 2.85Å; V445-Q457 PolarHBondContact O-N 3.01Å; V445-F459 HydrophobicContact CB-CE2 3.95Å; V445-F459 HydrophobicContact CG2-CD2 4.34Å; V445-F459 HydrophobicContact CG2-CE2 3.47Å; V445-F459 VanDerWaalsContact CG2-CE2 3.47Å; V445-F459 HydrophobicContact CG2-CZ 4.01Å; V445-F467 HydrophobicContact CG2-CE1 3.83Å; V445-F467 HydrophobicContact CG2-CZ 3.9Å; V445-F499 HydrophobicContact CG1-CE2 4.43Å; V445-F499 HydrophobicContact CG2-CD2 3.98Å; V445-F499 HydrophobicContact CG2-CE2 4.06Å
446	M	97.6	Very high	96.2	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.025	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	147.5	178	-56.6	-169.8	166.1	0	0	111	I414 M417 F433 I434 L436 R444 F453 K454	I414-M446 HydrophobicContact CG2-CE 4.49Å; I414-M446 HydrophobicContact CG2-SD 3.87Å; M417-M446 HydrophobicContact CB-CE 4.5Å; M417-M446 HydrophobicContact CG-CE 3.5Å; M417-M446 VanDerWaalsContact CG-CE 3.5Å; F433-M446 CarbonylContact C-O 3.56Å; F433-M446 WeakPolarHBondContact CA-O 3.44Å; F433-M446 WeakPolarHBondContact CB-O 3.38Å; I434-M446 HydrophobicContact CD1-CB 4.36Å; I434-M446 HydrophobicContact CG1-CB 3.86Å; I434-M446 PolarHBondContact N-O 3.49Å; I434-M446 PolarHBondContact O-N 3.23Å; L436-M446 HydrophobicContact CD1-CE 3.66Å; L436-M446 HydrophobicContact CD1-CG 4.12Å; L436-M446 HydrophobicContact CD1-SD 3.58Å; L436-M446 VanDerWaalsContact CD1-SD 3.58Å; R444-M446 HydrophobicContact CB-CE 4.49Å; M446-F453 HydrophobicContact CB-CB 3.96Å; M446-F453 HydrophobicContact CB-CD1 4.36Å; M446-F453 HydrophobicContact SD-CB 4Å; M446-K454 CarbonylContact C-O 3.58Å; M446-K454 WeakPolarHBondContact CA-O 3.31Å; M446-K454 WeakPolarHBondContact CB-O 3.29Å
447	R	96.8	Very high	96.2	Very high	99 Å²	99	53.2 Å²	53.2	37%	0.374	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	139.7	175.2	-173.5	176.5	63.7	157.1	-3.1	110.3	E431 F433 D449 F453 K454 V456	E431-R447 IonicContact OE1-CZ 3.06Å; E431-R447 IonicContact OE1-NH1 3.9Å; E431-R447 PolarHBondContact OE1-NH1 3.03Å; E431-R447 IonicContact OE2-NH1 2.72Å; F433-R447 HydrophobicContact CD1-CB 3.65Å; F433-R447 HydrophobicContact CD1-CG 3.95Å; F433-R447 HydrophobicContact CE1-CB 3.53Å; F433-R447 HydrophobicContact CE1-CG 3.56Å; F433-R447 HydrophobicContact CZ-CB 4.36Å; F433-R447 HydrophobicContact CZ-CG 3.87Å; R447-D449 PolarHBondContact O-N 2.85Å; R447-F453 WeakPolarHBondContact O-CA 3.09Å; R447-K454 PolarHBondContact N-O 3.04Å; R447-K454 PolarHBondContact O-N 2.99Å; R447-V456 HydrophobicContact CB-CG2 3.58Å
448	W	96.3	Very high	96.1	Very high	56 Å²	56	56.2 Å²	56.2	21%	0.212	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	121	169.2	-178.4	-104.1	0	0	0	110.7	I381 L432 G450 A451 M452 F453	I381-W448 HydrophobicContact CD1-CE3 4.27Å; I381-W448 HydrophobicContact CD1-CH2 4.39Å; I381-W448 HydrophobicContact CD1-CZ3 4.17Å; I381-W448 HydrophobicContact CG2-CD2 3.92Å; I381-W448 HydrophobicContact CG2-CG 4.36Å; I381-W448 HydrophobicContact CG2-CH2 4.24Å; I381-W448 HydrophobicContact CG2-CZ2 3.57Å; L432-W448 HydrophobicContact CB-CB 4.02Å; L432-W448 HydrophobicContact CD2-CB 4.07Å; L432-W448 HydrophobicContact CD2-CG 4.37Å; L432-W448 HydrophobicContact CG-CB 4.26Å; L432-W448 PolarHBondContact O-N 2.82Å; W448-G450 WeakPolarHBondContact CZ2-O 3.27Å; W448-G450 VanDerWaalsContact NE1-CA 3.3Å; W448-A451 WeakPolarHBondContact CH2-O 3.41Å; W448-M452 VanDerWaalsContact CZ3-CA 3.48Å; W448-F453 HydrophobicContact CB-CD1 4.16Å; W448-F453 HydrophobicContact CB-CE1 3.85Å; W448-F453 HydrophobicContact CB-CZ 4.48Å; W448-F453 HydrophobicContact CE3-CD1 4.24Å; W448-F453 AromaticContact CE3-CD2 3.86Å; W448-F453 HydrophobicContact CE3-CD2 3.86Å; W448-F453 HydrophobicContact CE3-CE1 4.15Å; W448-F453 AromaticContact CE3-CE2 3.75Å; W448-F453 HydrophobicContact CE3-CE2 3.75Å; W448-F453 HydrophobicContact CE3-CG 4.11Å; W448-F453 AromaticContact CE3-CZ 3.91Å; W448-F453 HydrophobicContact CE3-CZ 3.91Å; W448-F453 HydrophobicContact CZ3-CD2 4.15Å; W448-F453 HydrophobicContact CZ3-CE2 4.11Å
449	D	94.1	Very high	96.1	Very high	78 Å²	78	53.6 Å²	53.6	42%	0.417	29%	0.291	S	S	.	.			trans	-94.9	0.7	-178	72.4	2.9	0	0	0	114.5	R447 A451 M452 K454	R447-D449 PolarHBondContact O-N 2.85Å; D449-A451 PolarHBondContact OD1-N 3.07Å; D449-M452 PolarHBondContact N-O 2.85Å; D449-M452 PolarHBondContact OD1-N 2.88Å; D449-K454 HydrophobicContact CB-CG 4.08Å; D449-K454 WeakPolarHBondContact OD2-CE 3.45Å; D449-K454 WeakPolarHBondContact OD2-CG 3.38Å
450	G	92	Very high	96.1	Very high	54 Å²	54	53.7 Å²	53.7	56%	0.557	30%	0.302	S	S	*	.	S	Bend	trans	109.2	-24.3	-173.4	0	0	0	0	0	113.7	W448	W448-G450 WeakPolarHBondContact CZ2-O 3.27Å; W448-G450 VanDerWaalsContact NE1-CA 3.3Å
451	A	91.5	Very high	96.3	Very high	78 Å²	78	49.2 Å²	49.2	65%	0.645	28%	0.28	S	S	*	.	S	Bend	trans	-124.6	-37.2	179.3	0	0	0	0	0	113	W448 D449	W448-A451 WeakPolarHBondContact CH2-O 3.41Å; D449-A451 PolarHBondContact OD1-N 3.07Å
452	M	93.3	Very high	96.3	Very high	59 Å²	59	54.6 Å²	54.6	29%	0.291	29%	0.287	S	S	.	.	S	Bend	trans	-151.7	168.4	-178.8	62.3	-174.9	-65.2	0	0	112.3	P415 W448 D449 K454	P415-M452 HydrophobicContact CG-CE 3.35Å; W448-M452 VanDerWaalsContact CZ3-CA 3.48Å; D449-M452 PolarHBondContact N-O 2.85Å; D449-M452 PolarHBondContact OD1-N 2.88Å; M452-K454 HydrophobicContact CE-CD 4.39Å; M452-K454 HydrophobicContact CG-CD 4.11Å; M452-K454 HydrophobicContact CG-CG 4.5Å; M452-K454 HydrophobicContact SD-CD 4.32Å; M452-K454 VanDerWaalsContact SD-CE 3.54Å; M452-K454 PolarHBondContact SD-NZ 3.3Å
453	F	95.9	Very high	96.3	Very high	9 Å²	9	51 Å²	51	4%	0.039	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	130.8	169.7	-72.6	-75.4	0	0	0	110.5	L379 I381 I388 I414 L432 I434 M446 R447 W448	L379-F453 HydrophobicContact CD1-CZ 4.24Å; I381-F453 HydrophobicContact CD1-CE2 4.35Å; I381-F453 HydrophobicContact CD1-CZ 4.37Å; I388-F453 HydrophobicContact CD1-CE2 4.02Å; I388-F453 HydrophobicContact CD1-CZ 4.4Å; I414-F453 HydrophobicContact CD1-CD2 3.88Å; I414-F453 HydrophobicContact CD1-CE2 4.4Å; I414-F453 HydrophobicContact CG1-CD2 4.3Å; I414-F453 HydrophobicContact CG2-CB 4.45Å; L432-F453 HydrophobicContact CD2-CE1 4.24Å; L432-F453 HydrophobicContact CD2-CZ 4.08Å; L432-F453 HydrophobicContact CG-CE1 4.3Å; I434-F453 HydrophobicContact CB-CE1 4.35Å; I434-F453 HydrophobicContact CD1-CB 4.13Å; I434-F453 HydrophobicContact CD1-CD1 3.56Å; I434-F453 HydrophobicContact CD1-CD2 3.74Å; I434-F453 HydrophobicContact CD1-CE1 3.81Å; I434-F453 HydrophobicContact CD1-CE2 3.97Å; I434-F453 HydrophobicContact CD1-CG 3.52Å; I434-F453 HydrophobicContact CD1-CZ 4Å; I434-F453 HydrophobicContact CG1-CD1 3.69Å; I434-F453 HydrophobicContact CG1-CE1 3.84Å; I434-F453 HydrophobicContact CG1-CG 4.16Å; I434-F453 HydrophobicContact CG1-CZ 4.43Å; I434-F453 HydrophobicContact CG2-CD1 4.42Å; I434-F453 HydrophobicContact CG2-CE1 3.69Å; I434-F453 HydrophobicContact CG2-CZ 3.81Å; M446-F453 HydrophobicContact CB-CB 3.96Å; M446-F453 HydrophobicContact CB-CD1 4.36Å; M446-F453 HydrophobicContact SD-CB 4Å; R447-F453 WeakPolarHBondContact O-CA 3.09Å; W448-F453 HydrophobicContact CB-CD1 4.16Å; W448-F453 HydrophobicContact CB-CE1 3.85Å; W448-F453 HydrophobicContact CB-CZ 4.48Å; W448-F453 HydrophobicContact CE3-CD1 4.24Å; W448-F453 AromaticContact CE3-CD2 3.86Å; W448-F453 HydrophobicContact CE3-CD2 3.86Å; W448-F453 HydrophobicContact CE3-CE1 4.15Å; W448-F453 AromaticContact CE3-CE2 3.75Å; W448-F453 HydrophobicContact CE3-CE2 3.75Å; W448-F453 HydrophobicContact CE3-CG 4.11Å; W448-F453 AromaticContact CE3-CZ 3.91Å; W448-F453 HydrophobicContact CE3-CZ 3.91Å; W448-F453 HydrophobicContact CZ3-CD2 4.15Å; W448-F453 HydrophobicContact CZ3-CE2 4.11Å
454	K	95.1	Very high	96.3	Very high	95 Å²	95	51 Å²	51	41%	0.413	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.1	177.1	-64.7	-61.4	-169.2	-177.5	0	110.2	M446 R447 D449 M452 V456	M446-K454 CarbonylContact C-O 3.58Å; M446-K454 WeakPolarHBondContact CA-O 3.31Å; M446-K454 WeakPolarHBondContact CB-O 3.29Å; R447-K454 PolarHBondContact N-O 3.04Å; R447-K454 PolarHBondContact O-N 2.99Å; D449-K454 HydrophobicContact CB-CG 4.08Å; D449-K454 WeakPolarHBondContact OD2-CE 3.45Å; D449-K454 WeakPolarHBondContact OD2-CG 3.38Å; M452-K454 HydrophobicContact CE-CD 4.39Å; M452-K454 HydrophobicContact CG-CD 4.11Å; M452-K454 HydrophobicContact CG-CG 4.5Å; M452-K454 HydrophobicContact SD-CD 4.32Å; M452-K454 VanDerWaalsContact SD-CE 3.54Å; M452-K454 PolarHBondContact SD-NZ 3.3Å; K454-V456 PolarHBondContact O-N 3.16Å
455	E	96.1	Very high	96.3	Very high	100 Å²	100	50.7 Å²	50.7	47%	0.467	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	135.6	177.8	-171.1	179	117	0	0	112	R444 T458	R444-E455 WeakPolarHBondContact CD-OE2 3.29Å; R444-E455 IonicContact CZ-OE2 2.81Å; R444-E455 VanDerWaalsContact CZ-OE2 3.26Å; R444-E455 IonicContact NE-OE2 2.81Å; R444-E455 PolarHBondContact NE-OE2 3.42Å; R444-E455 IonicContact NH1-OE2 3.78Å; R444-E455 PolarHBondContact NH1-OE2 3.2Å; E455-T458 HydrophobicContact CG-CG2 4.36Å; E455-T458 VanDerWaalsContact OE1-CG2 3.24Å; E455-T458 WeakPolarHBondContact OE1-CG2 3.22Å
456	V	95.8	Very high	96.3	Very high	39 Å²	39	51 Å²	51	24%	0.236	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-42.6	174.8	178.1	0	0	0	0	110.4	F433 V445 R447 K454 G497 Q498	F433-V456 HydrophobicContact CD1-CG2 4.32Å; F433-V456 HydrophobicContact CE1-CG2 4.15Å; V445-V456 HydrophobicContact CG1-CB 4.42Å; V445-V456 PolarHBondContact O-N 3.45Å; R447-V456 HydrophobicContact CB-CG2 3.58Å; K454-V456 PolarHBondContact O-N 3.16Å; V456-G497 WeakPolarHBondContact CG1-O 3.42Å; V456-Q498 HydrophobicContact CG1-CG 4.25Å
457	Q	97.3	Very high	96.4	Very high	40 Å²	40	50.9 Å²	50.9	19%	0.187	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	148.1	-173.6	-170.2	172.1	16.5	0	0	111.3	R444 V445 F459 F499	R444-Q457 WeakPolarHBondContact CA-O 3.2Å; V445-Q457 PolarHBondContact N-O 2.85Å; V445-Q457 PolarHBondContact O-N 3.01Å; Q457-F459 HydrophobicContact CB-CE2 3.77Å; Q457-F459 HydrophobicContact CB-CZ 3.98Å; Q457-F459 HydrophobicContact CG-CD2 4.44Å; Q457-F459 HydrophobicContact CG-CE1 4.21Å; Q457-F459 HydrophobicContact CG-CE2 3.66Å; Q457-F459 HydrophobicContact CG-CZ 3.55Å; Q457-F499 PolarHBondContact NE2-O 3.06Å; Q457-F499 PolarHBondContact OE1-O 3.24Å
458	T	97.6	Very high	96.5	Very high	63 Å²	63	48.1 Å²	48.1	39%	0.387	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	149.4	176.1	57.7	0	0	0	0	111.4	S443 R444 E455	S443-T458 CarbonylContact O-C 3.29Å; S443-T458 WeakPolarHBondContact O-CA 3.49Å; R444-T458 HydrophobicContact CG-CG2 4.17Å; E455-T458 HydrophobicContact CG-CG2 4.36Å; E455-T458 VanDerWaalsContact OE1-CG2 3.24Å; E455-T458 WeakPolarHBondContact OE1-CG2 3.22Å
459	F	98.2	Very high	96.6	Very high	3 Å²	3	45.9 Å²	45.9	1%	0.013	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	117.3	-174.1	-58	-96.2	0	0	0	110.6	D442 S443 V445 Q457 S461 F467 L480 Y490 F499	D442-F459 CarbonylContact C-O 3.16Å; D442-F459 WeakPolarHBondContact CA-O 3.24Å; S443-F459 PolarHBondContact N-O 2.96Å; S443-F459 PolarHBondContact O-N 3.05Å; V445-F459 HydrophobicContact CB-CE2 3.95Å; V445-F459 HydrophobicContact CG2-CD2 4.34Å; V445-F459 HydrophobicContact CG2-CE2 3.47Å; V445-F459 VanDerWaalsContact CG2-CE2 3.47Å; V445-F459 HydrophobicContact CG2-CZ 4.01Å; Q457-F459 HydrophobicContact CB-CE2 3.77Å; Q457-F459 HydrophobicContact CB-CZ 3.98Å; Q457-F459 HydrophobicContact CG-CD2 4.44Å; Q457-F459 HydrophobicContact CG-CE1 4.21Å; Q457-F459 HydrophobicContact CG-CE2 3.66Å; Q457-F459 HydrophobicContact CG-CZ 3.55Å; F459-S461 PolarHBondContact O-N 3.4Å; F459-S461 PolarHBondContact O-OG 2.89Å; F459-F467 HydrophobicContact CB-CE1 4.48Å; F459-F467 HydrophobicContact CD1-CZ 4.1Å; F459-F467 AromaticContact CD2-CE1 3.62Å; F459-F467 HydrophobicContact CD2-CE1 3.62Å; F459-F467 AromaticContact CD2-CZ 3.69Å; F459-F467 HydrophobicContact CD2-CZ 3.69Å; F459-F467 HydrophobicContact CE1-CZ 4.15Å; F459-F467 AromaticContact CE2-CE1 3.97Å; F459-F467 HydrophobicContact CE2-CE1 3.97Å; F459-F467 AromaticContact CE2-CZ 3.78Å; F459-F467 HydrophobicContact CE2-CZ 3.78Å; F459-F467 HydrophobicContact CG-CE1 4.04Å; F459-F467 AromaticContact CG-CZ 3.85Å; F459-F467 HydrophobicContact CG-CZ 3.85Å; F459-F467 AromaticContact CZ-CZ 3.98Å; F459-F467 HydrophobicContact CZ-CZ 3.98Å; F459-L480 HydrophobicContact CB-CD2 3.84Å; F459-Y490 HydrophobicContact CD1-CD1 4.33Å; F459-Y490 HydrophobicContact CD1-CD2 4.3Å; F459-Y490 AromaticContact CD1-CE1 3.88Å; F459-Y490 HydrophobicContact CD1-CE1 3.88Å; F459-Y490 AromaticContact CD1-CE2 3.84Å; F459-Y490 HydrophobicContact CD1-CE2 3.84Å; F459-Y490 AromaticContact CD1-CZ 3.62Å; F459-Y490 AromaticContact CE1-CD1 3.93Å; F459-Y490 HydrophobicContact CE1-CD1 3.93Å; F459-Y490 HydrophobicContact CE1-CD2 4.21Å; F459-Y490 AromaticContact CE1-CE1 3.92Å; F459-Y490 HydrophobicContact CE1-CE1 3.92Å; F459-Y490 HydrophobicContact CE1-CE2 4.2Å; F459-Y490 HydrophobicContact CE1-CG 4.09Å; F459-F499 HydrophobicContact CE1-CB 4.07Å; F459-F499 HydrophobicContact CZ-CB 3.9Å; F459-F499 HydrophobicContact CZ-CD2 4.22Å
460	P	97.8	Very high	96.8	Very high	83 Å²	83	42.6 Å²	42.6	54%	0.539	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	123.7	179.7	-23.4	33.5	0	0	0	111.5
461	S	98.2	Very high	96.9	Very high	9 Å²	9	43.5 Å²	43.5	6%	0.063	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124.9	-178.1	-58.6	0	0	0	0	110.9	R438 G441 S443 F459	R438-S461 WeakPolarHBondContact O-CB 3.16Å; R438-S461 PolarHBondContact O-OG 3.19Å; G441-S461 WeakPolarHBondContact O-CA 3.25Å; G441-S461 WeakPolarHBondContact O-CB 3.27Å; G441-S461 PolarHBondContact O-N 3.33Å; S443-S461 VanDerWaalsContact CB-OG 3.24Å; S443-S461 WeakPolarHBondContact CB-OG 3.32Å; S443-S461 PolarHBondContact N-OG 2.86Å; S443-S461 VanDerWaalsContact N-OG 3.11Å; S443-S461 PolarHBondContact OG-OG 3.04Å; F459-S461 PolarHBondContact O-N 3.4Å; F459-S461 PolarHBondContact O-OG 2.89Å
462	R	97.1	Very high	97.1	Very high	155 Å²	155	40.1 Å²	40.1	59%	0.585	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119.3	70.9	-176	-61.7	-175.4	179.2	-176.2	1.7	110.1	S482 D483 Y484	R462-S482 PolarHBondContact O-OG 2.96Å; R462-D483 PolarHBondContact O-N 3.36Å; R462-Y484 HydrophobicContact CB-CD2 4.45Å; R462-Y484 WeakPolarHBondContact O-CB 3.5Å; R462-Y484 WeakPolarHBondContact O-CD2 3.38Å; R462-Y484 PolarHBondContact O-N 2.98Å
463	G	97.7	Very high	97	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	72.3	46.8	-170.8	0	0	0	0	0	111.3	Y439 D483	Y439-G463 CarbonylContact O-C 3.52Å; Y439-G463 WeakPolarHBondContact O-CA 3.33Å; Y439-G463 PolarHBondContact O-N 2.73Å; G463-D483 WeakPolarHBondContact O-CB 3.41Å; G463-D483 PolarHBondContact O-N 2.7Å
464	S	98.4	Very high	96.7	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.007	26%	0.264	C	S	.	.			trans	-85.2	128.3	-176.9	-167.4	0	0	0	0	112.1	R438 Y439 V466 L480 G481	R438-S464 CarbonylContact C-O 3.53Å; R438-S464 WeakPolarHBondContact O-CB 3.45Å; Y439-S464 VanDerWaalsContact CA-O 3.25Å; Y439-S464 WeakPolarHBondContact CA-O 3.33Å; Y439-S464 PolarHBondContact O-N 3.2Å; S464-V466 PolarHBondContact OG-O 2.86Å; S464-L480 VanDerWaalsContact OG-CD1 3.25Å; S464-L480 WeakPolarHBondContact OG-CD1 3.39Å; S464-G481 WeakPolarHBondContact CA-O 3.43Å; S464-G481 WeakPolarHBondContact CB-O 3.47Å; S464-G481 PolarHBondContact OG-O 2.6Å
465	M	98.1	Very high	96.6	Very high	38 Å²	38	45.9 Å²	45.9	19%	0.187	25%	0.252	C	S	.	.			trans	-111.7	-6.1	176	-65.5	-69.2	-72.5	0	0	112.4	F421 Y439	F421-M465 WeakPolarHBondContact CD1-O 3.46Å; F421-M465 HydrophobicContact CD1-SD 4.49Å; F421-M465 HydrophobicContact CD2-CE 4.43Å; F421-M465 HydrophobicContact CE1-CB 4.38Å; F421-M465 HydrophobicContact CE1-CE 3.79Å; F421-M465 VanDerWaalsContact CE1-O 3.24Å; F421-M465 WeakPolarHBondContact CE1-O 3.23Å; F421-M465 HydrophobicContact CE1-SD 4.24Å; F421-M465 HydrophobicContact CE2-CE 3.63Å; F421-M465 HydrophobicContact CE2-SD 4.25Å; F421-M465 HydrophobicContact CZ-CE 3.26Å; F421-M465 HydrophobicContact CZ-SD 4.13Å; Y439-M465 HydrophobicContact CD2-CG 4.23Å; Y439-M465 HydrophobicContact CD2-SD 3.64Å; Y439-M465 HydrophobicContact CE2-CG 4.34Å; Y439-M465 HydrophobicContact CE2-SD 4.04Å
466	V	98.4	Very high	96.7	Very high	8 Å²	8	41.9 Å²	41.9	5%	0.048	23%	0.233	C	C	.	.			trans	-151.7	131.7	-175.9	57.4	0	0	0	0	110.4	S464 Q468 G481 P510 F513	S464-V466 PolarHBondContact OG-O 2.86Å; V466-Q468 HydrophobicContact CG2-CB 3.87Å; V466-G481 PolarHBondContact O-N 3.01Å; V466-P510 HydrophobicContact CG1-CB 4.26Å; V466-P510 HydrophobicContact CG1-CG 4.46Å; V466-F513 HydrophobicContact CG1-CD2 3.98Å; V466-F513 HydrophobicContact CG1-CE2 3.54Å; V466-F513 HydrophobicContact CG2-CD2 3.79Å; V466-F513 HydrophobicContact CG2-CE2 4.23Å
467	F	98.8	Very high	96.8	Very high	1 Å²	1	40.1 Å²	40.1	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	82.3	167.1	-166.8	-171.9	0	0	0	109	C435 T437 V445 F459 P469 A478 I479 L480	C435-F467 HydrophobicContact CB-CB 4.27Å; C435-F467 HydrophobicContact CB-CD1 3.77Å; C435-F467 HydrophobicContact CB-CE1 4.26Å; C435-F467 HydrophobicContact CB-CG 3.93Å; C435-F467 WeakPolarHBondContact CB-O 3.27Å; T437-F467 HydrophobicContact CG2-CB 4.28Å; T437-F467 VanDerWaalsContact OG1-CB 3.24Å; T437-F467 WeakPolarHBondContact OG1-CB 3.11Å; T437-F467 PolarHBondContact OG1-N 2.61Å; V445-F467 HydrophobicContact CG2-CE1 3.83Å; V445-F467 HydrophobicContact CG2-CZ 3.9Å; F459-F467 HydrophobicContact CB-CE1 4.48Å; F459-F467 HydrophobicContact CD1-CZ 4.1Å; F459-F467 AromaticContact CD2-CE1 3.62Å; F459-F467 HydrophobicContact CD2-CE1 3.62Å; F459-F467 AromaticContact CD2-CZ 3.69Å; F459-F467 HydrophobicContact CD2-CZ 3.69Å; F459-F467 HydrophobicContact CE1-CZ 4.15Å; F459-F467 AromaticContact CE2-CE1 3.97Å; F459-F467 HydrophobicContact CE2-CE1 3.97Å; F459-F467 AromaticContact CE2-CZ 3.78Å; F459-F467 HydrophobicContact CE2-CZ 3.78Å; F459-F467 HydrophobicContact CG-CE1 4.04Å; F459-F467 AromaticContact CG-CZ 3.85Å; F459-F467 HydrophobicContact CG-CZ 3.85Å; F459-F467 AromaticContact CZ-CZ 3.98Å; F459-F467 HydrophobicContact CZ-CZ 3.98Å; F467-P469 WeakPolarHBondContact O-CD 3.37Å; F467-A478 HydrophobicContact CD2-CB 4.18Å; F467-A478 HydrophobicContact CE2-CB 3.53Å; F467-A478 HydrophobicContact CZ-CB 4.27Å; F467-I479 CarbonylContact C-O 3.57Å; F467-I479 WeakPolarHBondContact CA-O 3.46Å; F467-L480 HydrophobicContact CB-CD1 3.78Å; F467-L480 HydrophobicContact CD1-CD1 4.08Å; F467-L480 HydrophobicContact CD2-CB 3.9Å; F467-L480 HydrophobicContact CD2-CD1 3.93Å; F467-L480 HydrophobicContact CE2-CB 4.05Å; F467-L480 HydrophobicContact CE2-CD1 4.49Å; F467-L480 HydrophobicContact CG-CD1 3.68Å
468	Q	98.8	Very high	96.9	Very high	41 Å²	41	38.2 Å²	38.2	19%	0.192	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	115.6	-168.3	-176.5	64	48.3	0	0	110.8	V466 V470 A478 I479 F513	V466-Q468 HydrophobicContact CG2-CB 3.87Å; Q468-V470 HydrophobicContact CG-CG1 3.76Å; Q468-A478 CarbonylContact O-C 3.48Å; Q468-A478 WeakPolarHBondContact O-CA 3.36Å; Q468-I479 PolarHBondContact N-O 2.88Å; Q468-I479 PolarHBondContact O-N 3.49Å; Q468-F513 HydrophobicContact CB-CB 4.02Å; Q468-F513 HydrophobicContact CB-CD2 4.13Å; Q468-F513 HydrophobicContact CG-CB 3.97Å
469	P	98.5	Very high	97	Very high	9 Å²	9	35.2 Å²	35.2	6%	0.058	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	135.6	164	30.5	-32.3	0	0	0	109.9	K424 F426 F467 Y477	K424-P469 VanDerWaalsContact CB-CD 3.45Å; K424-P469 HydrophobicContact CB-CG 3.95Å; F426-P469 HydrophobicContact CB-CB 3.67Å; F426-P469 HydrophobicContact CB-CG 3.99Å; F426-P469 HydrophobicContact CD1-CB 3.69Å; F426-P469 HydrophobicContact CD1-CG 4.06Å; F426-P469 HydrophobicContact CG-CB 3.84Å; F426-P469 HydrophobicContact CG-CG 4.4Å; F467-P469 WeakPolarHBondContact O-CD 3.37Å; P469-Y477 WeakPolarHBondContact CA-O 3.38Å
470	V	97.5	Very high	97	Very high	9 Å²	9	35.4 Å²	35.4	6%	0.055	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	141.9	176.1	-59.1	0	0	0	0	110.4	Q468 Q476 Y477 I479 V515	Q468-V470 HydrophobicContact CG-CG1 3.76Å; V470-Q476 PolarHBondContact O-NE2 2.72Å; V470-Y477 HydrophobicContact CG2-CD2 4.28Å; V470-Y477 HydrophobicContact CG2-CG 4.44Å; V470-Y477 PolarHBondContact N-O 3.16Å; V470-Y477 PolarHBondContact O-N 2.98Å; V470-I479 HydrophobicContact CG1-CD1 4.29Å; V470-I479 HydrophobicContact CG2-CD1 3.89Å; V470-I479 HydrophobicContact CG2-CG1 4.25Å; V470-V515 HydrophobicContact CB-CG2 3.83Å; V470-V515 HydrophobicContact CG1-CG2 3.99Å; V470-V515 HydrophobicContact CG2-CG2 4.42Å
471	S	96	Very high	97	Very high	73 Å²	73	31.4 Å²	31.4	51%	0.51	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.5	179.2	-45.8	0	0	0	0	109.5	W475 Q476	S471-W475 WeakPolarHBondContact CA-O 3.34Å; S471-Q476 PolarHBondContact OG-OE1 2.88Å
472	V	95.4	Very high	97	Very high	8 Å²	8	31.3 Å²	31.3	5%	0.048	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	103.5	175.8	-178.2	0	0	0	0	108.8	F220 K474 W475 Y477 V515 V522 H538	F220-V472 HydrophobicContact CE1-CG2 4.46Å; F220-V472 HydrophobicContact CZ-CG2 4.41Å; V472-K474 PolarHBondContact O-N 3.45Å; V472-K474 VanDerWaalsContact O-N 3.14Å; V472-W475 PolarHBondContact N-O 2.91Å; V472-W475 WeakPolarHBondContact O-CB 3.05Å; V472-W475 PolarHBondContact O-N 3.32Å; V472-Y477 HydrophobicContact CB-CE2 4.22Å; V472-Y477 HydrophobicContact CG2-CE2 4.33Å; V472-V515 HydrophobicContact CG2-CG1 4.32Å; V472-V522 HydrophobicContact CB-CG1 4.45Å; V472-V522 HydrophobicContact CG1-CB 3.97Å; V472-V522 HydrophobicContact CG1-CG1 3.71Å; V472-V522 HydrophobicContact CG1-CG2 4Å; V472-V522 HydrophobicContact CG2-CG1 3.97Å; V472-H538 HydrophobicContact CG1-CB 4.33Å; V472-H538 WeakPolarHBondContact CG1-ND1 3.5Å
473	G	90.6	Very high	97.1	Very high	82 Å²	82	26.1 Å²	26.1	85%	0.845	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	-117.8	-172.6	0	0	0	0	0	111.5
474	K	89.8	Confident	97	Very high	160 Å²	160	33.5 Å²	33.5	70%	0.696	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-10.2	177.8	69.6	177.8	-177.1	177.4	0	114.2	V472	V472-K474 PolarHBondContact O-N 3.45Å; V472-K474 VanDerWaalsContact O-N 3.14Å
475	W	93.8	Very high	96.9	Very high	41 Å²	41	35.6 Å²	35.6	16%	0.155	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	127.9	-171.1	-54.1	108.7	0	0	0	110.6	T218 S471 V472 Y477	T218-W475 HydrophobicContact CG2-CD2 4.29Å; T218-W475 HydrophobicContact CG2-CG 4.4Å; T218-W475 HydrophobicContact CG2-CZ2 4Å; S471-W475 WeakPolarHBondContact CA-O 3.34Å; V472-W475 PolarHBondContact N-O 2.91Å; V472-W475 WeakPolarHBondContact O-CB 3.05Å; V472-W475 PolarHBondContact O-N 3.32Å; W475-Y477 HydrophobicContact CB-CD2 4.3Å; W475-Y477 HydrophobicContact CB-CE2 3.41Å; W475-Y477 VanDerWaalsContact CB-CE2 3.41Å; W475-Y477 WeakPolarHBondContact CB-OH 3.29Å; W475-Y477 HydrophobicContact CG-CE2 4.4Å
476	Q	97.4	Very high	96.9	Very high	17 Å²	17	37.2 Å²	37.2	8%	0.079	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	126.5	171.5	178.8	64.9	46.6	0	0	108.7	F426 V428 V470 S471 W492 F499	F426-Q476 HydrophobicContact CD2-CG 3.99Å; F426-Q476 HydrophobicContact CE2-CG 4.21Å; V428-Q476 HydrophobicContact CG2-CB 4.23Å; V428-Q476 HydrophobicContact CG2-CG 3.9Å; V470-Q476 PolarHBondContact O-NE2 2.72Å; S471-Q476 PolarHBondContact OG-OE1 2.88Å; Q476-W492 HydrophobicContact CB-CB 3.76Å; Q476-W492 HydrophobicContact CB-CG 4.43Å; Q476-W492 HydrophobicContact CG-CB 4.07Å; Q476-W492 WeakPolarHBondContact O-CB 3.24Å; Q476-W492 PolarHBondContact O-N 3.17Å; Q476-F499 HydrophobicContact CG-CE1 4.14Å; Q476-F499 HydrophobicContact CG-CZ 4.12Å
477	Y	98.4	Very high	96.9	Very high	1 Å²	1	36.9 Å²	36.9	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	165.2	174	-53.4	-90	0	0	0	110.9	T218 F220 P469 V470 V472 W475 V489 Y490 Q491 H538	T218-Y477 VanDerWaalsContact CB-OH 3.32Å; T218-Y477 WeakPolarHBondContact CB-OH 3.36Å; T218-Y477 PolarHBondContact OG1-OH 2.8Å; F220-Y477 HydrophobicContact CE2-CD1 4.15Å; F220-Y477 HydrophobicContact CE2-CD2 4.24Å; F220-Y477 HydrophobicContact CE2-CE1 4.25Å; F220-Y477 HydrophobicContact CE2-CE2 4.33Å; F220-Y477 HydrophobicContact CE2-CG 4.15Å; F220-Y477 HydrophobicContact CZ-CD2 4.01Å; F220-Y477 HydrophobicContact CZ-CE2 4.08Å; F220-Y477 HydrophobicContact CZ-CG 4.34Å; P469-Y477 WeakPolarHBondContact CA-O 3.38Å; V470-Y477 HydrophobicContact CG2-CD2 4.28Å; V470-Y477 HydrophobicContact CG2-CG 4.44Å; V470-Y477 PolarHBondContact N-O 3.16Å; V470-Y477 PolarHBondContact O-N 2.98Å; V472-Y477 HydrophobicContact CB-CE2 4.22Å; V472-Y477 HydrophobicContact CG2-CE2 4.33Å; W475-Y477 HydrophobicContact CB-CD2 4.3Å; W475-Y477 HydrophobicContact CB-CE2 3.41Å; W475-Y477 VanDerWaalsContact CB-CE2 3.41Å; W475-Y477 WeakPolarHBondContact CB-OH 3.29Å; W475-Y477 HydrophobicContact CG-CE2 4.4Å; Y477-V489 HydrophobicContact CD1-CG1 4.02Å; Y477-Y490 CarbonylContact C-O 3.6Å; Y477-Y490 WeakPolarHBondContact CA-O 3.24Å; Y477-Y490 VanDerWaalsContact CB-O 3.31Å; Y477-Y490 WeakPolarHBondContact CB-O 3.44Å; Y477-Q491 HydrophobicContact CD1-CB 3.91Å; Y477-Q491 HydrophobicContact CD1-CG 4.07Å; Y477-Q491 HydrophobicContact CE1-CB 4Å; Y477-Q491 HydrophobicContact CE1-CG 3.8Å; Y477-H538 AromaticContact CE2-NE2 3.82Å; Y477-H538 AromaticContact CZ-NE2 3.67Å; Y477-H538 PolarHBondContact OH-NE2 3.28Å
478	A	98.6	Very high	96.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	129.6	163	0	0	0	0	0	109.1	F467 Q468 Y490 F499	F467-A478 HydrophobicContact CD2-CB 4.18Å; F467-A478 HydrophobicContact CE2-CB 3.53Å; F467-A478 HydrophobicContact CZ-CB 4.27Å; Q468-A478 CarbonylContact O-C 3.48Å; Q468-A478 WeakPolarHBondContact O-CA 3.36Å; A478-Y490 PolarHBondContact N-O 3.04Å; A478-Y490 PolarHBondContact O-N 2.79Å; A478-F499 HydrophobicContact CB-CD1 4.08Å; A478-F499 HydrophobicContact CB-CD2 4.17Å; A478-F499 HydrophobicContact CB-CE1 3.7Å; A478-F499 HydrophobicContact CB-CE2 3.75Å; A478-F499 HydrophobicContact CB-CG 4.33Å; A478-F499 HydrophobicContact CB-CZ 3.52Å
479	I	98.8	Very high	96.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	112.5	-174.1	-52.6	172.6	0	0	0	108.2	F467 Q468 V470 T487 Q488 V489 F513 L524	F467-I479 CarbonylContact C-O 3.57Å; F467-I479 WeakPolarHBondContact CA-O 3.46Å; Q468-I479 PolarHBondContact N-O 2.88Å; Q468-I479 PolarHBondContact O-N 3.49Å; V470-I479 HydrophobicContact CG1-CD1 4.29Å; V470-I479 HydrophobicContact CG2-CD1 3.89Å; V470-I479 HydrophobicContact CG2-CG1 4.25Å; I479-T487 HydrophobicContact CG2-CG2 3.5Å; I479-Q488 WeakPolarHBondContact CA-O 3.36Å; I479-V489 HydrophobicContact CG1-CG1 4.42Å; I479-V489 HydrophobicContact CG1-CG2 4.37Å; I479-V489 HydrophobicContact CG2-CG2 4.35Å; I479-F513 HydrophobicContact CB-CD2 4.14Å; I479-F513 HydrophobicContact CB-CE2 4.23Å; I479-F513 HydrophobicContact CB-CG 4.45Å; I479-F513 HydrophobicContact CD1-CB 4.38Å; I479-F513 HydrophobicContact CD1-CD1 4.16Å; I479-F513 HydrophobicContact CD1-CG 4.18Å; I479-F513 HydrophobicContact CG2-CD1 4.25Å; I479-F513 HydrophobicContact CG2-CD2 3.89Å; I479-F513 HydrophobicContact CG2-CE1 3.9Å; I479-F513 HydrophobicContact CG2-CE2 3.52Å; I479-F513 HydrophobicContact CG2-CG 4.25Å; I479-F513 HydrophobicContact CG2-CZ 3.55Å; I479-L524 HydrophobicContact CD1-CD1 3.54Å; I479-L524 HydrophobicContact CD1-CD2 3.57Å; I479-L524 HydrophobicContact CD1-CG 4.19Å
480	L	98.8	Very high	96.9	Very high	7 Å²	7	37.5 Å²	37.5	4%	0.037	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	105.5	178.2	-175.8	66.6	0	0	0	109.5	F459 S464 F467 Q488 Y490	F459-L480 HydrophobicContact CB-CD2 3.84Å; S464-L480 VanDerWaalsContact OG-CD1 3.25Å; S464-L480 WeakPolarHBondContact OG-CD1 3.39Å; F467-L480 HydrophobicContact CB-CD1 3.78Å; F467-L480 HydrophobicContact CD1-CD1 4.08Å; F467-L480 HydrophobicContact CD2-CB 3.9Å; F467-L480 HydrophobicContact CD2-CD1 3.93Å; F467-L480 HydrophobicContact CE2-CB 4.05Å; F467-L480 HydrophobicContact CE2-CD1 4.49Å; F467-L480 HydrophobicContact CG-CD1 3.68Å; L480-Q488 PolarHBondContact N-O 2.78Å; L480-Q488 PolarHBondContact O-N 3.34Å; L480-Y490 HydrophobicContact CB-CE2 3.94Å; L480-Y490 HydrophobicContact CD2-CE2 4.37Å
481	G	98.6	Very high	96.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.209	C	C	.	.			trans	-68.8	152.1	176.3	0	0	0	0	0	112.2	S464 V466 P510	S464-G481 WeakPolarHBondContact CA-O 3.43Å; S464-G481 WeakPolarHBondContact CB-O 3.47Å; S464-G481 PolarHBondContact OG-O 2.6Å; V466-G481 PolarHBondContact O-N 3.01Å; G481-P510 VanDerWaalsContact CA-CG 3.47Å
482	S	98.3	Very high	96.8	Very high	7 Å²	7	36.5 Å²	36.5	5%	0.049	19%	0.191	C	C	.	.			trans	-145.1	129.9	179.1	-178.2	0	0	0	0	110.8	R462 Y484 S485 P510	R462-S482 PolarHBondContact O-OG 2.96Å; S482-Y484 PolarHBondContact OG-N 3.04Å; S482-S485 WeakPolarHBondContact CB-O 3.42Å; S482-S485 WeakPolarHBondContact CB-OG 3.31Å; S482-S485 PolarHBondContact OG-N 2.89Å; S482-S485 PolarHBondContact OG-O 3.07Å; S482-S485 PolarHBondContact OG-OG 2.96Å; S482-P510 WeakPolarHBondContact O-CD 3.43Å
483	D	98.2	Very high	96.6	Very high	46 Å²	46	38 Å²	38	25%	0.246	20%	0.198	C	C	.	.	S	Bend	trans	-83.3	-18.5	173	-76.8	20.9	0	0	0	111.8	R462 G463 A509 R511	R462-D483 PolarHBondContact O-N 3.36Å; G463-D483 WeakPolarHBondContact O-CB 3.41Å; G463-D483 PolarHBondContact O-N 2.7Å; D483-A509 VanDerWaalsContact OD1-CA 3.25Å; D483-A509 WeakPolarHBondContact OD1-CA 3.43Å; D483-R511 IonicContact OD1-CZ 3.55Å; D483-R511 IonicContact OD1-NH1 3.64Å; D483-R511 PolarHBondContact OD1-NH1 2.75Å; D483-R511 IonicContact OD1-NH2 2.61Å; D483-R511 IonicContact OD2-CZ 2.73Å; D483-R511 IonicContact OD2-NH1 3.74Å; D483-R511 PolarHBondContact OD2-NH1 2.83Å; D483-R511 IonicContact OD2-NH2 3.71Å; D483-R511 PolarHBondContact OD2-NH2 2.8Å
484	Y	96.8	Very high	96.4	Very high	155 Å²	155	36.9 Å²	36.9	61%	0.608	18%	0.181	S	C	*	.	S	Bend	trans	-113.1	-7.1	-174.6	-53.5	-35.7	0	0	0	114.7	Y439 R462 S482	Y439-Y484 HydrophobicContact CE1-CE2 4.39Å; Y439-Y484 PolarHBondContact OH-OH 3.06Å; R462-Y484 HydrophobicContact CB-CD2 4.45Å; R462-Y484 WeakPolarHBondContact O-CB 3.5Å; R462-Y484 WeakPolarHBondContact O-CD2 3.38Å; R462-Y484 PolarHBondContact O-N 2.98Å; S482-Y484 PolarHBondContact OG-N 3.04Å
485	S	95.9	Very high	96.1	Very high	45 Å²	45	37.3 Å²	37.3	32%	0.315	18%	0.183	S	C	.	.	S	Bend	trans	-147.2	-175.8	178.1	70.6	0	0	0	0	111.1	S482	S482-S485 WeakPolarHBondContact CB-O 3.42Å; S482-S485 WeakPolarHBondContact CB-OG 3.31Å; S482-S485 PolarHBondContact OG-N 2.89Å; S482-S485 PolarHBondContact OG-O 3.07Å; S482-S485 PolarHBondContact OG-OG 2.96Å
486	L	97.8	Very high	95.8	Very high	72 Å²	72	43.1 Å²	43.1	38%	0.377	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-62.1	146.9	169.2	-60.9	175	0	0	0	110.9	E504	L486-E504 HydrophobicContact CB-CB 4.26Å; L486-E504 HydrophobicContact CD1-CB 4.08Å; L486-E504 VanDerWaalsContact CD1-OE2 3.25Å; L486-E504 WeakPolarHBondContact CD1-OE2 3.31Å
487	T	98.6	Very high	95.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	131.4	171	-69.3	0	0	0	0	108.5	I479 E504 L505 I507 F513	I479-T487 HydrophobicContact CG2-CG2 3.5Å; T487-E504 CarbonylContact O-C 3.42Å; T487-E504 WeakPolarHBondContact O-CA 3.35Å; T487-L505 WeakPolarHBondContact CB-O 3.25Å; T487-L505 HydrophobicContact CG2-CB 4.3Å; T487-L505 PolarHBondContact N-O 3.04Å; T487-L505 PolarHBondContact O-N 2.85Å; T487-I507 HydrophobicContact CG2-CD1 4.46Å; T487-F513 HydrophobicContact CG2-CE2 4.48Å; T487-F513 HydrophobicContact CG2-CZ 3.86Å
488	Q	98.6	Very high	95.3	Very high	40 Å²	40	47.1 Å²	47.1	19%	0.187	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.7	-176.7	-64.8	-67.9	-44.5	0	0	110.2	I479 L480 Y490 E504	I479-Q488 WeakPolarHBondContact CA-O 3.36Å; L480-Q488 PolarHBondContact N-O 2.78Å; L480-Q488 PolarHBondContact O-N 3.34Å; Q488-Y490 HydrophobicContact CB-CD2 4.28Å; Q488-Y490 HydrophobicContact CB-CE2 3.48Å; Q488-Y490 VanDerWaalsContact CB-CE2 3.48Å; Q488-E504 PolarHBondContact NE2-OE1 3.01Å
489	V	98.6	Very high	95.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	121.3	170.4	-177.2	0	0	0	0	107.8	F220 Y477 I479 S502 Q503 L505	F220-V489 HydrophobicContact CD2-CG1 4.14Å; F220-V489 HydrophobicContact CE2-CG1 3.95Å; Y477-V489 HydrophobicContact CD1-CG1 4.02Å; I479-V489 HydrophobicContact CG1-CG1 4.42Å; I479-V489 HydrophobicContact CG1-CG2 4.37Å; I479-V489 HydrophobicContact CG2-CG2 4.35Å; V489-S502 PolarHBondContact O-N 3.13Å; V489-Q503 WeakPolarHBondContact CA-O 3.46Å; V489-Q503 HydrophobicContact CB-CB 4.1Å; V489-Q503 WeakPolarHBondContact CB-O 3.34Å; V489-Q503 HydrophobicContact CG2-CB 4.42Å; V489-Q503 PolarHBondContact N-O 2.89Å; V489-Q503 PolarHBondContact O-N 3.09Å; V489-L505 HydrophobicContact CG2-CD1 3.61Å; V489-L505 HydrophobicContact CG2-CD2 4.48Å; V489-L505 HydrophobicContact CG2-CG 3.68Å
490	Y	98.3	Very high	95.1	Very high	24 Å²	24	49 Å²	49	9%	0.094	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	144.9	173.3	-55.2	-94.9	0	0	0	110.6	F459 Y477 A478 L480 Q488 F499 V500 P501	F459-Y490 HydrophobicContact CD1-CD1 4.33Å; F459-Y490 HydrophobicContact CD1-CD2 4.3Å; F459-Y490 AromaticContact CD1-CE1 3.88Å; F459-Y490 HydrophobicContact CD1-CE1 3.88Å; F459-Y490 AromaticContact CD1-CE2 3.84Å; F459-Y490 HydrophobicContact CD1-CE2 3.84Å; F459-Y490 AromaticContact CD1-CZ 3.62Å; F459-Y490 AromaticContact CE1-CD1 3.93Å; F459-Y490 HydrophobicContact CE1-CD1 3.93Å; F459-Y490 HydrophobicContact CE1-CD2 4.21Å; F459-Y490 AromaticContact CE1-CE1 3.92Å; F459-Y490 HydrophobicContact CE1-CE1 3.92Å; F459-Y490 HydrophobicContact CE1-CE2 4.2Å; F459-Y490 HydrophobicContact CE1-CG 4.09Å; Y477-Y490 CarbonylContact C-O 3.6Å; Y477-Y490 WeakPolarHBondContact CA-O 3.24Å; Y477-Y490 VanDerWaalsContact CB-O 3.31Å; Y477-Y490 WeakPolarHBondContact CB-O 3.44Å; A478-Y490 PolarHBondContact N-O 3.04Å; A478-Y490 PolarHBondContact O-N 2.79Å; L480-Y490 HydrophobicContact CB-CE2 3.94Å; L480-Y490 HydrophobicContact CD2-CE2 4.37Å; Q488-Y490 HydrophobicContact CB-CD2 4.28Å; Q488-Y490 HydrophobicContact CB-CE2 3.48Å; Q488-Y490 VanDerWaalsContact CB-CE2 3.48Å; Y490-F499 HydrophobicContact CG-CB 4.35Å; Y490-V500 CarbonylContact C-O 3.49Å; Y490-V500 VanDerWaalsContact CA-O 3.22Å; Y490-V500 WeakPolarHBondContact CA-O 2.98Å; Y490-P501 HydrophobicContact CD1-CB 4.49Å; Y490-P501 HydrophobicContact CD1-CG 4.22Å; Y490-P501 HydrophobicContact CE1-CG 4.06Å
491	Q	96.2	Very high	94.9	Very high	31 Å²	31	53.3 Å²	53.3	15%	0.145	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	140.7	175.7	-173.5	179.7	17.3	0	0	109.8	Y477 D493 F499 V500	Y477-Q491 HydrophobicContact CD1-CB 3.91Å; Y477-Q491 HydrophobicContact CD1-CG 4.07Å; Y477-Q491 HydrophobicContact CE1-CB 4Å; Y477-Q491 HydrophobicContact CE1-CG 3.8Å; Q491-D493 PolarHBondContact O-N 3.07Å; Q491-F499 WeakPolarHBondContact O-CA 3.41Å; Q491-V500 PolarHBondContact N-O 3.23Å; Q491-V500 WeakPolarHBondContact O-CG2 3.23Å; Q491-V500 PolarHBondContact O-N 3.35Å
492	W	96.1	Very high	94.6	Very high	31 Å²	31	55.4 Å²	55.4	12%	0.117	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	119.2	-179.5	-174.8	-96.3	0	0	0	111.4	F426 V428 F433 Q476 A494 G497 F499	F426-W492 HydrophobicContact CE2-CE3 4.27Å; F426-W492 HydrophobicContact CE2-CZ3 4.21Å; F426-W492 HydrophobicContact CZ-CE3 4.42Å; F426-W492 HydrophobicContact CZ-CZ3 4.09Å; V428-W492 HydrophobicContact CG2-CD2 4.33Å; V428-W492 HydrophobicContact CG2-CG 4.41Å; F433-W492 HydrophobicContact CD1-CH2 4.22Å; F433-W492 AromaticContact CE1-CH2 3.65Å; F433-W492 HydrophobicContact CE1-CH2 3.65Å; F433-W492 HydrophobicContact CE1-CZ2 4.34Å; F433-W492 HydrophobicContact CE2-CH2 4.32Å; F433-W492 HydrophobicContact CE2-CZ2 4.42Å; F433-W492 AromaticContact CZ-CH2 3.72Å; F433-W492 HydrophobicContact CZ-CH2 3.72Å; F433-W492 AromaticContact CZ-CZ2 3.96Å; F433-W492 HydrophobicContact CZ-CZ2 3.96Å; Q476-W492 HydrophobicContact CB-CB 3.76Å; Q476-W492 HydrophobicContact CB-CG 4.43Å; Q476-W492 HydrophobicContact CG-CB 4.07Å; Q476-W492 WeakPolarHBondContact O-CB 3.24Å; Q476-W492 PolarHBondContact O-N 3.17Å; W492-A494 PolarHBondContact O-N 3.24Å; W492-G497 WeakPolarHBondContact CH2-O 3.38Å; W492-F499 HydrophobicContact CB-CD1 4.16Å; W492-F499 HydrophobicContact CB-CE1 3.9Å; W492-F499 HydrophobicContact CE3-CD1 4.05Å; W492-F499 AromaticContact CE3-CD2 3.82Å; W492-F499 HydrophobicContact CE3-CD2 3.82Å; W492-F499 AromaticContact CE3-CE1 3.91Å; W492-F499 HydrophobicContact CE3-CE1 3.91Å; W492-F499 AromaticContact CE3-CE2 3.72Å; W492-F499 HydrophobicContact CE3-CE2 3.72Å; W492-F499 AromaticContact CE3-CG 3.98Å; W492-F499 HydrophobicContact CE3-CG 3.98Å; W492-F499 AromaticContact CE3-CZ 3.74Å; W492-F499 HydrophobicContact CE3-CZ 3.74Å; W492-F499 HydrophobicContact CZ3-CD2 4.01Å; W492-F499 AromaticContact CZ3-CE2 3.95Å; W492-F499 HydrophobicContact CZ3-CE2 3.95Å; W492-F499 HydrophobicContact CZ3-CZ 4.39Å
493	D	91.4	Very high	94.5	Very high	40 Å²	40	57.3 Å²	57.3	21%	0.214	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	104.3	169.3	-177.4	-29	0	0	0	109	Q491 K495 R496 G497 Q498 V500	Q491-D493 PolarHBondContact O-N 3.07Å; D493-K495 PolarHBondContact O-N 3.48Å; D493-K495 WeakPolarHBondContact OD1-CA 3.47Å; D493-K495 VanDerWaalsContact OD1-CB 3.3Å; D493-K495 WeakPolarHBondContact OD1-CB 3.23Å; D493-K495 PolarHBondContact OD1-N 2.64Å; D493-R496 HydrophobicContact CB-CB 4.09Å; D493-R496 HydrophobicContact CB-CG 4.34Å; D493-R496 PolarHBondContact O-N 3.07Å; D493-R496 PolarHBondContact OD1-N 3.12Å; D493-R496 VanDerWaalsContact OD2-CD 3.24Å; D493-R496 WeakPolarHBondContact OD2-CD 3.41Å; D493-R496 WeakPolarHBondContact OD2-CG 3.19Å; D493-R496 IonicContact OD2-NE 3.91Å; D493-R496 PolarHBondContact OD2-NE 3.18Å; D493-G497 PolarHBondContact O-N 3.4Å; D493-Q498 PolarHBondContact N-O 2.99Å; D493-Q498 PolarHBondContact O-N 3.02Å; D493-V500 HydrophobicContact CB-CG1 4.05Å; D493-V500 HydrophobicContact CB-CG2 4.31Å
494	A	86.3	Confident	94.5	Very high	57 Å²	57	60.4 Å²	60.4	47%	0.471	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-17.4	-178.7	0	0	0	0	0	114.6	W492	W492-A494 PolarHBondContact O-N 3.24Å
495	K	83.5	Confident	94.6	Very high	169 Å²	169	53.2 Å²	53.2	74%	0.735	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-38.3	175.8	-63	176	-179.5	168.2	0	110.8	D493	D493-K495 PolarHBondContact O-N 3.48Å; D493-K495 WeakPolarHBondContact OD1-CA 3.47Å; D493-K495 VanDerWaalsContact OD1-CB 3.3Å; D493-K495 WeakPolarHBondContact OD1-CB 3.23Å; D493-K495 PolarHBondContact OD1-N 2.64Å
496	R	86.9	Confident	94.6	Very high	163 Å²	163	55.2 Å²	55.2	62%	0.615	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-23.5	178.1	-63.5	-179.5	-174.4	-157	-1.9	113.3	D493 Q498	D493-R496 HydrophobicContact CB-CB 4.09Å; D493-R496 HydrophobicContact CB-CG 4.34Å; D493-R496 PolarHBondContact O-N 3.07Å; D493-R496 PolarHBondContact OD1-N 3.12Å; D493-R496 VanDerWaalsContact OD2-CD 3.24Å; D493-R496 WeakPolarHBondContact OD2-CD 3.41Å; D493-R496 WeakPolarHBondContact OD2-CG 3.19Å; D493-R496 IonicContact OD2-NE 3.91Å; D493-R496 PolarHBondContact OD2-NE 3.18Å; R496-Q498 VanDerWaalsContact C-N 3.27Å; R496-Q498 HydrophobicContact CB-CB 4.2Å
497	G	90.1	Very high	94.6	Very high	27 Å²	27	52.2 Å²	52.2	28%	0.278	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	34.2	-170.9	0	0	0	0	0	112	V456 W492 D493	V456-G497 WeakPolarHBondContact CG1-O 3.42Å; W492-G497 WeakPolarHBondContact CH2-O 3.38Å; D493-G497 PolarHBondContact O-N 3.4Å
498	Q	95.1	Very high	94.6	Very high	75 Å²	75	58.1 Å²	58.1	35%	0.35	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	159.6	-173.4	-70	-179.3	-20.2	0	0	110.5	V456 D493 R496	V456-Q498 HydrophobicContact CG1-CG 4.25Å; D493-Q498 PolarHBondContact N-O 2.99Å; D493-Q498 PolarHBondContact O-N 3.02Å; R496-Q498 VanDerWaalsContact C-N 3.27Å; R496-Q498 HydrophobicContact CB-CB 4.2Å
499	F	97.5	Very high	94.5	Very high	1 Å²	1	56.7 Å²	56.7	0%	0.004	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	135.4	172	-80.4	-66	0	0	0	110.9	F426 V445 Q457 F459 Q476 A478 Y490 Q491 W492	F426-F499 AromaticContact CE1-CE2 3.92Å; F426-F499 HydrophobicContact CE1-CE2 3.92Å; F426-F499 HydrophobicContact CE1-CZ 4.23Å; F426-F499 HydrophobicContact CE2-CE2 4.11Å; F426-F499 AromaticContact CE2-CZ 3.91Å; F426-F499 HydrophobicContact CE2-CZ 3.91Å; F426-F499 AromaticContact CZ-CE2 3.44Å; F426-F499 HydrophobicContact CZ-CE2 3.44Å; F426-F499 VanDerWaalsContact CZ-CE2 3.44Å; F426-F499 AromaticContact CZ-CZ 3.69Å; F426-F499 HydrophobicContact CZ-CZ 3.69Å; V445-F499 HydrophobicContact CG1-CE2 4.43Å; V445-F499 HydrophobicContact CG2-CD2 3.98Å; V445-F499 HydrophobicContact CG2-CE2 4.06Å; Q457-F499 PolarHBondContact NE2-O 3.06Å; Q457-F499 PolarHBondContact OE1-O 3.24Å; F459-F499 HydrophobicContact CE1-CB 4.07Å; F459-F499 HydrophobicContact CZ-CB 3.9Å; F459-F499 HydrophobicContact CZ-CD2 4.22Å; Q476-F499 HydrophobicContact CG-CE1 4.14Å; Q476-F499 HydrophobicContact CG-CZ 4.12Å; A478-F499 HydrophobicContact CB-CD1 4.08Å; A478-F499 HydrophobicContact CB-CD2 4.17Å; A478-F499 HydrophobicContact CB-CE1 3.7Å; A478-F499 HydrophobicContact CB-CE2 3.75Å; A478-F499 HydrophobicContact CB-CG 4.33Å; A478-F499 HydrophobicContact CB-CZ 3.52Å; Y490-F499 HydrophobicContact CG-CB 4.35Å; Q491-F499 WeakPolarHBondContact O-CA 3.41Å; W492-F499 HydrophobicContact CB-CD1 4.16Å; W492-F499 HydrophobicContact CB-CE1 3.9Å; W492-F499 HydrophobicContact CE3-CD1 4.05Å; W492-F499 AromaticContact CE3-CD2 3.82Å; W492-F499 HydrophobicContact CE3-CD2 3.82Å; W492-F499 AromaticContact CE3-CE1 3.91Å; W492-F499 HydrophobicContact CE3-CE1 3.91Å; W492-F499 AromaticContact CE3-CE2 3.72Å; W492-F499 HydrophobicContact CE3-CE2 3.72Å; W492-F499 AromaticContact CE3-CG 3.98Å; W492-F499 HydrophobicContact CE3-CG 3.98Å; W492-F499 AromaticContact CE3-CZ 3.74Å; W492-F499 HydrophobicContact CE3-CZ 3.74Å; W492-F499 HydrophobicContact CZ3-CD2 4.01Å; W492-F499 AromaticContact CZ3-CE2 3.95Å; W492-F499 HydrophobicContact CZ3-CE2 3.95Å; W492-F499 HydrophobicContact CZ3-CZ 4.39Å
500	V	94.7	Very high	94.5	Very high	38 Å²	38	56.7 Å²	56.7	23%	0.23	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	144.4	175.2	-64.3	0	0	0	0	110.2	Y490 Q491 D493 S502	Y490-V500 CarbonylContact C-O 3.49Å; Y490-V500 VanDerWaalsContact CA-O 3.22Å; Y490-V500 WeakPolarHBondContact CA-O 2.98Å; Q491-V500 PolarHBondContact N-O 3.23Å; Q491-V500 WeakPolarHBondContact O-CG2 3.23Å; Q491-V500 PolarHBondContact O-N 3.35Å; D493-V500 HydrophobicContact CB-CG1 4.05Å; D493-V500 HydrophobicContact CB-CG2 4.31Å; V500-S502 PolarHBondContact O-N 2.76Å
501	P	95.2	Very high	94.5	Very high	99 Å²	99	57.7 Å²	57.7	64%	0.643	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.1	135.6	176.3	-23.2	32.9	0	0	0	111	Y490	Y490-P501 HydrophobicContact CD1-CB 4.49Å; Y490-P501 HydrophobicContact CD1-CG 4.22Å; Y490-P501 HydrophobicContact CE1-CG 4.06Å
502	S	93.3	Very high	94.6	Very high	44 Å²	44	56.8 Å²	56.8	31%	0.308	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	-48.8	-176.7	173.8	0	0	0	0	111.9	V489 V500	V489-S502 PolarHBondContact O-N 3.13Å; V500-S502 PolarHBondContact O-N 2.76Å
503	Q	95.9	Very high	94.7	Very high	46 Å²	46	55.7 Å²	55.7	22%	0.215	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	156.4	-177.7	-172.4	-176.4	1.2	0	0	110.8	F220 V489 L505	F220-Q503 PolarHBondContact O-NE2 3.09Å; V489-Q503 WeakPolarHBondContact CA-O 3.46Å; V489-Q503 HydrophobicContact CB-CB 4.1Å; V489-Q503 WeakPolarHBondContact CB-O 3.34Å; V489-Q503 HydrophobicContact CG2-CB 4.42Å; V489-Q503 PolarHBondContact N-O 2.89Å; V489-Q503 PolarHBondContact O-N 3.09Å; Q503-L505 HydrophobicContact CG-CD2 4.27Å
504	E	97.9	Very high	95	Very high	112 Å²	112	54.6 Å²	54.6	52%	0.523	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	135.5	169.5	-56.3	-171.7	137.9	0	0	110.5	L486 T487 Q488	L486-E504 HydrophobicContact CB-CB 4.26Å; L486-E504 HydrophobicContact CD1-CB 4.08Å; L486-E504 VanDerWaalsContact CD1-OE2 3.25Å; L486-E504 WeakPolarHBondContact CD1-OE2 3.31Å; T487-E504 CarbonylContact O-C 3.42Å; T487-E504 WeakPolarHBondContact O-CA 3.35Å; Q488-E504 PolarHBondContact NE2-OE1 3.01Å
505	L	98.1	Very high	95.6	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	140.7	177.8	-56	178.6	0	0	0	110.7	F220 T487 V489 Q503 I507 L524 Y536	F220-L505 HydrophobicContact CB-CD2 4.41Å; T487-L505 WeakPolarHBondContact CB-O 3.25Å; T487-L505 HydrophobicContact CG2-CB 4.3Å; T487-L505 PolarHBondContact N-O 3.04Å; T487-L505 PolarHBondContact O-N 2.85Å; V489-L505 HydrophobicContact CG2-CD1 3.61Å; V489-L505 HydrophobicContact CG2-CD2 4.48Å; V489-L505 HydrophobicContact CG2-CG 3.68Å; Q503-L505 HydrophobicContact CG-CD2 4.27Å; L505-I507 HydrophobicContact CB-CD1 3.94Å; L505-I507 HydrophobicContact CB-CG1 4.38Å; L505-I507 HydrophobicContact CD1-CD1 4.21Å; L505-L524 HydrophobicContact CD1-CD2 4.05Å; L505-Y536 HydrophobicContact CD1-CE2 4.29Å; L505-Y536 HydrophobicContact CD2-CD1 4.18Å; L505-Y536 HydrophobicContact CD2-CE1 3.87Å
506	S	96.9	Very high	96.3	Very high	86 Å²	86	45.5 Å²	45.5	60%	0.601	25%	0.245	S	C	*	.			trans	-100.7	91.9	177.5	-170.7	0	0	0	0	110.5	Q534	S506-Q534 PolarHBondContact O-NE2 3Å
507	I	97.6	Very high	96.7	Very high	9 Å²	9	41.2 Å²	41.2	5%	0.046	24%	0.24	C	C	.	.			trans	-127.3	128.7	-179.9	-56.8	153.4	0	0	0	107.9	T487 L505 A509 P510 F513 A526 Y536	T487-I507 HydrophobicContact CG2-CD1 4.46Å; L505-I507 HydrophobicContact CB-CD1 3.94Å; L505-I507 HydrophobicContact CB-CG1 4.38Å; L505-I507 HydrophobicContact CD1-CD1 4.21Å; I507-A509 PolarHBondContact O-N 2.87Å; I507-P510 HydrophobicContact CB-CB 4.4Å; I507-P510 HydrophobicContact CG2-CB 3.95Å; I507-F513 HydrophobicContact CD1-CE1 3.6Å; I507-F513 HydrophobicContact CD1-CZ 3.87Å; I507-A526 HydrophobicContact CD1-CB 3.7Å; I507-A526 HydrophobicContact CG1-CB 4.37Å; I507-Y536 HydrophobicContact CD1-CE2 4.05Å; I507-Y536 HydrophobicContact CG1-CE2 4.29Å; I507-Y536 VanDerWaalsContact CG1-OH 3.29Å; I507-Y536 WeakPolarHBondContact CG1-OH 3.19Å
508	Q	97.6	Very high	97	Very high	125 Å²	125	40.5 Å²	40.5	58%	0.584	23%	0.231	S	C	*	.	S	Bend	trans	-80.5	117.2	179.3	-62.7	-178.4	17.3	0	0	109.9	S528	Q508-S528 PolarHBondContact O-OG 3.46Å
509	A	97.9	Very high	96.8	Very high	9 Å²	9	40.4 Å²	40.4	7%	0.074	23%	0.232	C	C	.	.	S	Bend	trans	49.8	64.5	177.7	0	0	0	0	0	113.5	D483 I507 R511 F529 K530	D483-A509 VanDerWaalsContact OD1-CA 3.25Å; D483-A509 WeakPolarHBondContact OD1-CA 3.43Å; I507-A509 PolarHBondContact O-N 2.87Å; A509-R511 VanDerWaalsContact C-NH1 3.31Å; A509-R511 PolarHBondContact O-NH1 2.86Å; A509-F529 HydrophobicContact CB-CB 4.13Å; A509-F529 WeakPolarHBondContact O-CB 3.34Å; A509-F529 PolarHBondContact O-N 2.91Å; A509-K530 HydrophobicContact CB-CB 4.27Å; A509-K530 HydrophobicContact CB-CG 4.34Å
510	P	98.4	Very high	96.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	142.3	-178.8	29.7	-36.7	0	0	0	111.5	V466 G481 S482 I507 F513 S527	V466-P510 HydrophobicContact CG1-CB 4.26Å; V466-P510 HydrophobicContact CG1-CG 4.46Å; G481-P510 VanDerWaalsContact CA-CG 3.47Å; S482-P510 WeakPolarHBondContact O-CD 3.43Å; I507-P510 HydrophobicContact CB-CB 4.4Å; I507-P510 HydrophobicContact CG2-CB 3.95Å; P510-F513 HydrophobicContact CB-CE2 4.16Å; P510-F513 HydrophobicContact CB-CZ 3.85Å; P510-S527 WeakPolarHBondContact CA-O 3.45Å
511	R	98.1	Very high	96.5	Very high	46 Å²	46	49.7 Å²	49.7	17%	0.174	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	-19.7	-179.6	-64.1	-67.3	175.3	-95.2	7.9	115.1	I231 D483 A509 S527 F529	I231-R511 HydrophobicContact CG1-CB 4.45Å; I231-R511 HydrophobicContact CG1-CG 4.27Å; I231-R511 WeakPolarHBondContact O-CB 3.21Å; D483-R511 IonicContact OD1-CZ 3.55Å; D483-R511 IonicContact OD1-NH1 3.64Å; D483-R511 PolarHBondContact OD1-NH1 2.75Å; D483-R511 IonicContact OD1-NH2 2.61Å; D483-R511 IonicContact OD2-CZ 2.73Å; D483-R511 IonicContact OD2-NH1 3.74Å; D483-R511 PolarHBondContact OD2-NH1 2.83Å; D483-R511 IonicContact OD2-NH2 3.71Å; D483-R511 PolarHBondContact OD2-NH2 2.8Å; A509-R511 VanDerWaalsContact C-NH1 3.31Å; A509-R511 PolarHBondContact O-NH1 2.86Å; R511-S527 WeakPolarHBondContact CB-OG 3.48Å; R511-S527 PolarHBondContact N-O 2.84Å; R511-S527 PolarHBondContact N-OG 2.92Å; R511-F529 HydrophobicContact CG-CB 3.71Å; R511-F529 HydrophobicContact CG-CG 4.42Å
512	G	97.6	Very high	96.7	Very high	11 Å²	11	46.1 Å²	46.1	11%	0.113	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	147.1	-176	0	0	0	0	0	110.7	S527	G512-S527 WeakPolarHBondContact CA-OG 3.49Å; G512-S527 PolarHBondContact N-OG 2.89Å; G512-S527 PolarHBondContact O-N 2.79Å; G512-S527 PolarHBondContact O-OG 2.87Å
513	F	98.6	Very high	96.9	Very high	9 Å²	9	44.1 Å²	44.1	4%	0.039	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	135.3	175.8	-66.2	-79.6	0	0	0	108.6	V466 Q468 I479 T487 I507 P510 L524 L525 A526	V466-F513 HydrophobicContact CG1-CD2 3.98Å; V466-F513 HydrophobicContact CG1-CE2 3.54Å; V466-F513 HydrophobicContact CG2-CD2 3.79Å; V466-F513 HydrophobicContact CG2-CE2 4.23Å; Q468-F513 HydrophobicContact CB-CB 4.02Å; Q468-F513 HydrophobicContact CB-CD2 4.13Å; Q468-F513 HydrophobicContact CG-CB 3.97Å; I479-F513 HydrophobicContact CB-CD2 4.14Å; I479-F513 HydrophobicContact CB-CE2 4.23Å; I479-F513 HydrophobicContact CB-CG 4.45Å; I479-F513 HydrophobicContact CD1-CB 4.38Å; I479-F513 HydrophobicContact CD1-CD1 4.16Å; I479-F513 HydrophobicContact CD1-CG 4.18Å; I479-F513 HydrophobicContact CG2-CD1 4.25Å; I479-F513 HydrophobicContact CG2-CD2 3.89Å; I479-F513 HydrophobicContact CG2-CE1 3.9Å; I479-F513 HydrophobicContact CG2-CE2 3.52Å; I479-F513 HydrophobicContact CG2-CG 4.25Å; I479-F513 HydrophobicContact CG2-CZ 3.55Å; T487-F513 HydrophobicContact CG2-CE2 4.48Å; T487-F513 HydrophobicContact CG2-CZ 3.86Å; I507-F513 HydrophobicContact CD1-CE1 3.6Å; I507-F513 HydrophobicContact CD1-CZ 3.87Å; P510-F513 HydrophobicContact CB-CE2 4.16Å; P510-F513 HydrophobicContact CB-CZ 3.85Å; F513-L524 HydrophobicContact CB-CD1 4.12Å; F513-L524 HydrophobicContact CD1-CD1 4.13Å; F513-L524 HydrophobicContact CD1-CD2 4.49Å; F513-L524 HydrophobicContact CD1-CG 4.41Å; F513-L525 VanDerWaalsContact CA-O 3.27Å; F513-L525 WeakPolarHBondContact CA-O 3.48Å; F513-A526 HydrophobicContact CD1-CB 3.76Å; F513-A526 HydrophobicContact CE1-CB 3.52Å
514	S	98.1	Very high	97	Very high	17 Å²	17	41.9 Å²	41.9	12%	0.119	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	155.7	170.9	-166.2	0	0	0	0	110.8	T235 L525	T235-S514 VanDerWaalsContact CG2-OG 3.23Å; T235-S514 WeakPolarHBondContact CG2-OG 3.29Å; T235-S514 PolarHBondContact OG1-OG 2.7Å; S514-L525 PolarHBondContact N-O 2.94Å; S514-L525 PolarHBondContact O-N 3.2Å
515	V	98.2	Very high	97.1	Very high	32 Å²	32	36.6 Å²	36.6	19%	0.194	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133	-179.5	174.9	0	0	0	0	109.5	T235 V470 V472 V522 F523 L524	T235-V515 PolarHBondContact OG1-O 2.73Å; V470-V515 HydrophobicContact CB-CG2 3.83Å; V470-V515 HydrophobicContact CG1-CG2 3.99Å; V470-V515 HydrophobicContact CG2-CG2 4.42Å; V472-V515 HydrophobicContact CG2-CG1 4.32Å; V515-V522 HydrophobicContact CG1-CG1 3.38Å; V515-F523 VanDerWaalsContact CA-O 3.31Å; V515-F523 WeakPolarHBondContact CA-O 3.4Å; V515-L524 HydrophobicContact CG2-CD1 4.12Å
516	V	97.7	Very high	97.1	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.012	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	136.7	174.6	62.1	0	0	0	0	109.8	T235 Q242 V244 F266 V518 V522 F523 L525	T235-V516 HydrophobicContact CG2-CB 3.86Å; Q242-V516 HydrophobicContact CB-CG2 3.83Å; Q242-V516 HydrophobicContact CG-CG2 4.37Å; V244-V516 HydrophobicContact CG2-CG1 4.43Å; F266-V516 HydrophobicContact CE1-CG1 4.17Å; F266-V516 HydrophobicContact CZ-CG1 3.6Å; V516-V518 HydrophobicContact CG2-CG1 4.1Å; V516-V522 WeakPolarHBondContact O-CA 3.34Å; V516-F523 HydrophobicContact CG1-CB 3.82Å; V516-F523 HydrophobicContact CG1-CD2 4.38Å; V516-F523 PolarHBondContact N-O 3.28Å; V516-F523 PolarHBondContact O-N 2.87Å; V516-L525 HydrophobicContact CB-CD1 4.22Å; V516-L525 HydrophobicContact CG1-CD1 3.85Å; V516-L525 HydrophobicContact CG1-CD2 4.47Å; V516-L525 HydrophobicContact CG1-CG 4.21Å
517	S	96.6	Very high	97.2	Very high	73 Å²	73	32.3 Å²	32.3	51%	0.51	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	117.1	177.6	-59	0	0	0	0	109.7	R521	S517-R521 CarbonylContact C-O 3.52Å; S517-R521 VanDerWaalsContact CA-O 3.32Å; S517-R521 WeakPolarHBondContact CA-O 3.34Å
518	V	95.5	Very high	97.2	Very high	13 Å²	13	31.9 Å²	31.9	8%	0.079	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	140	-179.7	-69.6	0	0	0	0	109.5	Q242 W259 F266 V516 N520 R521 F523	Q242-V518 HydrophobicContact CB-CG1 3.57Å; Q242-V518 HydrophobicContact CG-CG1 3.77Å; W259-V518 HydrophobicContact CB-CB 4.43Å; W259-V518 HydrophobicContact CB-CG1 4.21Å; W259-V518 HydrophobicContact CB-CG2 4.35Å; W259-V518 HydrophobicContact CD2-CB 4.27Å; W259-V518 HydrophobicContact CD2-CG2 3.54Å; W259-V518 HydrophobicContact CE3-CG2 3.81Å; W259-V518 HydrophobicContact CG-CB 4.01Å; W259-V518 HydrophobicContact CG-CG1 4.33Å; W259-V518 HydrophobicContact CG-CG2 3.78Å; W259-V518 HydrophobicContact CZ2-CG2 4.37Å; W259-V518 HydrophobicContact CZ3-CG2 4.33Å; F266-V518 HydrophobicContact CZ-CG2 4.39Å; V516-V518 HydrophobicContact CG2-CG1 4.1Å; V518-N520 VanDerWaalsContact C-N 3.28Å; V518-N520 PolarHBondContact O-N 3.48Å; V518-R521 PolarHBondContact N-O 3.41Å; V518-R521 WeakPolarHBondContact O-CA 3.45Å; V518-R521 WeakPolarHBondContact O-CB 3.35Å; V518-R521 PolarHBondContact O-N 2.95Å; V518-R521 VanDerWaalsContact O-O 3.07Å; V518-F523 HydrophobicContact CG2-CD2 3.86Å; V518-F523 HydrophobicContact CG2-CE2 3.56Å
519	D	91.4	Very high	97.2	Very high	72 Å²	72	28.5 Å²	28.5	39%	0.385	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	42.3	179.3	-65.8	-13	0	0	0	114.8	W259 H261 R521	W259-D519 PolarHBondContact NE1-OD2 3.4Å; H261-D519 IonicContact CE1-OD1 2.71Å; H261-D519 PolarHBondContact CE1-OD1 3.08Å; H261-D519 IonicContact CE1-OD2 3.59Å; H261-D519 IonicContact CG-OD2 3.36Å; H261-D519 VanDerWaalsContact ND1-CG 3.3Å; H261-D519 IonicContact ND1-OD1 2.92Å; H261-D519 PolarHBondContact ND1-OD1 3.21Å; H261-D519 IonicContact ND1-OD2 2.77Å; H261-D519 PolarHBondContact ND1-OD2 3.07Å; D519-R521 PolarHBondContact O-N 3.33Å; D519-R521 VanDerWaalsContact O-N 3.12Å
520	N	91.2	Very high	97	Very high	179 Å²	179	35.5 Å²	35.5	96%	0.957	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	14.5	-174.6	-60.8	-36.5	0	0	0	115	V518	V518-N520 VanDerWaalsContact C-N 3.28Å; V518-N520 PolarHBondContact O-N 3.48Å
521	R	95.4	Very high	96.8	Very high	55 Å²	55	35.9 Å²	35.9	21%	0.208	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	150.1	173.5	-58	171.2	75.1	-168.9	0.5	108.6	Y223 S517 V518 D519 F523 E537	Y223-R521 PolarHBondContact OH-NH1 3.24Å; Y223-R521 VanDerWaalsContact OH-NH1 3.09Å; Y223-R521 PolarHBondContact OH-NH2 3.28Å; S517-R521 CarbonylContact C-O 3.52Å; S517-R521 VanDerWaalsContact CA-O 3.32Å; S517-R521 WeakPolarHBondContact CA-O 3.34Å; V518-R521 PolarHBondContact N-O 3.41Å; V518-R521 WeakPolarHBondContact O-CA 3.45Å; V518-R521 WeakPolarHBondContact O-CB 3.35Å; V518-R521 PolarHBondContact O-N 2.95Å; V518-R521 VanDerWaalsContact O-O 3.07Å; D519-R521 PolarHBondContact O-N 3.33Å; D519-R521 VanDerWaalsContact O-N 3.12Å; R521-F523 HydrophobicContact CB-CE2 3.7Å; R521-F523 HydrophobicContact CB-CZ 3.86Å; R521-E537 IonicContact CZ-OE1 3.72Å; R521-E537 VanDerWaalsContact CZ-OE1 3.22Å; R521-E537 IonicContact CZ-OE2 3.81Å; R521-E537 PolarHBondContact NE-OE1 2.04Å; R521-E537 IonicContact NE-OE1 3.56Å; R521-E537 PolarHBondContact NH2-OE2 3.12Å; R521-E537 IonicContact NH2-OE2 3.21Å; R521-E537 IonicContact NH2-OE1 3.71Å; R521-E537 PolarHBondContact NH2-OE1 3.29Å
522	V	97.9	Very high	96.7	Very high	25 Å²	25	38.9 Å²	38.9	15%	0.152	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	126.5	178.8	-176.4	0	0	0	0	108.4	V472 V515 V516 H538	V472-V522 HydrophobicContact CB-CG1 4.45Å; V472-V522 HydrophobicContact CG1-CB 3.97Å; V472-V522 HydrophobicContact CG1-CG1 3.71Å; V472-V522 HydrophobicContact CG1-CG2 4Å; V472-V522 HydrophobicContact CG2-CG1 3.97Å; V515-V522 HydrophobicContact CG1-CG1 3.38Å; V516-V522 WeakPolarHBondContact O-CA 3.34Å; V522-H538 HydrophobicContact CB-CB 4.14Å; V522-H538 HydrophobicContact CG1-CB 4.46Å; V522-H538 PolarHBondContact O-N 3.45Å
523	F	98.4	Very high	96.7	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	137.6	-179.9	-57.9	-84.3	0	0	0	110.8	Y223 W259 F266 V515 V516 V518 R521 I535 Y536 E537	Y223-F523 HydrophobicContact CD1-CD1 4.01Å; Y223-F523 AromaticContact CD1-CE1 3.63Å; Y223-F523 HydrophobicContact CD1-CE1 3.63Å; Y223-F523 HydrophobicContact CD2-CE1 4.04Å; Y223-F523 HydrophobicContact CE1-CD1 4.45Å; Y223-F523 AromaticContact CE1-CE1 3.7Å; Y223-F523 HydrophobicContact CE1-CE1 3.7Å; Y223-F523 HydrophobicContact CE1-CZ 4.25Å; Y223-F523 HydrophobicContact CE2-CE1 4.14Å; Y223-F523 HydrophobicContact CG-CD1 4.16Å; Y223-F523 AromaticContact CG-CE1 3.79Å; Y223-F523 HydrophobicContact CG-CE1 3.79Å; Y223-F523 AromaticContact CZ-CE1 3.93Å; W259-F523 HydrophobicContact CE3-CE2 4.37Å; W259-F523 AromaticContact CH2-CE2 3.8Å; W259-F523 HydrophobicContact CH2-CE2 3.8Å; W259-F523 AromaticContact CH2-CZ 3.51Å; W259-F523 HydrophobicContact CH2-CZ 3.51Å; W259-F523 HydrophobicContact CZ2-CE2 4.48Å; W259-F523 HydrophobicContact CZ2-CZ 4.43Å; W259-F523 HydrophobicContact CZ3-CE1 4.48Å; W259-F523 AromaticContact CZ3-CE2 3.73Å; W259-F523 HydrophobicContact CZ3-CE2 3.73Å; W259-F523 AromaticContact CZ3-CZ 3.68Å; W259-F523 HydrophobicContact CZ3-CZ 3.68Å; F266-F523 HydrophobicContact CE2-CB 4.34Å; F266-F523 HydrophobicContact CE2-CD1 4.42Å; F266-F523 AromaticContact CE2-CD2 3.95Å; F266-F523 HydrophobicContact CE2-CD2 3.95Å; F266-F523 HydrophobicContact CE2-CE2 4.37Å; F266-F523 AromaticContact CE2-CG 3.97Å; F266-F523 HydrophobicContact CE2-CG 3.97Å; F266-F523 AromaticContact CZ-CD2 3.98Å; F266-F523 HydrophobicContact CZ-CD2 3.98Å; F266-F523 HydrophobicContact CZ-CG 4.33Å; V515-F523 VanDerWaalsContact CA-O 3.31Å; V515-F523 WeakPolarHBondContact CA-O 3.4Å; V516-F523 HydrophobicContact CG1-CB 3.82Å; V516-F523 HydrophobicContact CG1-CD2 4.38Å; V516-F523 PolarHBondContact N-O 3.28Å; V516-F523 PolarHBondContact O-N 2.87Å; V518-F523 HydrophobicContact CG2-CD2 3.86Å; V518-F523 HydrophobicContact CG2-CE2 3.56Å; R521-F523 HydrophobicContact CB-CE2 3.7Å; R521-F523 HydrophobicContact CB-CZ 3.86Å; F523-I535 HydrophobicContact CB-CG2 3.91Å; F523-I535 HydrophobicContact CD1-CG2 3.98Å; F523-I535 HydrophobicContact CG-CG2 4.26Å; F523-Y536 WeakPolarHBondContact CA-O 3.49Å; F523-Y536 CarbonylContact C-O 3.59Å; F523-E537 HydrophobicContact CD1-CB 4.01Å; F523-E537 HydrophobicContact CD1-CG 4.37Å; F523-E537 HydrophobicContact CE1-CB 3.97Å; F523-E537 HydrophobicContact CE1-CG 4.07Å
524	L	98.6	Very high	96.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	117	168	172.9	72	0	0	0	108.7	F220 I479 L505 F513 V515 I535 Y536	F220-L524 HydrophobicContact CB-CD2 4.42Å; F220-L524 HydrophobicContact CD1-CB 3.63Å; F220-L524 HydrophobicContact CD1-CD2 3.8Å; F220-L524 HydrophobicContact CD1-CG 4.35Å; F220-L524 HydrophobicContact CD2-CD2 4.33Å; F220-L524 HydrophobicContact CE1-CB 3.76Å; F220-L524 HydrophobicContact CE1-CD2 4.08Å; F220-L524 HydrophobicContact CE1-CG 4.43Å; F220-L524 HydrophobicContact CG-CD2 3.93Å; F220-L524 HydrophobicContact CZ-CD2 4.46Å; I479-L524 HydrophobicContact CD1-CD1 3.54Å; I479-L524 HydrophobicContact CD1-CD2 3.57Å; I479-L524 HydrophobicContact CD1-CG 4.19Å; L505-L524 HydrophobicContact CD1-CD2 4.05Å; F513-L524 HydrophobicContact CB-CD1 4.12Å; F513-L524 HydrophobicContact CD1-CD1 4.13Å; F513-L524 HydrophobicContact CD1-CD2 4.49Å; F513-L524 HydrophobicContact CD1-CG 4.41Å; V515-L524 HydrophobicContact CG2-CD1 4.12Å; L524-I535 WeakPolarHBondContact O-CA 3.33Å; L524-Y536 HydrophobicContact CD2-CD2 4.31Å; L524-Y536 PolarHBondContact N-O 3.47Å; L524-Y536 PolarHBondContact O-N 3.44Å
525	L	98.6	Very high	96.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	130.4	176.8	-54.5	149	0	0	0	108.4	V233 T235 V244 F246 F513 S514 V516 I535	V233-L525 HydrophobicContact CG2-CB 3.81Å; V233-L525 HydrophobicContact CG2-CD1 4.07Å; T235-L525 HydrophobicContact CG2-CD1 3.3Å; V244-L525 HydrophobicContact CB-CD1 4.37Å; V244-L525 HydrophobicContact CG1-CD1 3.67Å; V244-L525 HydrophobicContact CG1-CD2 4.1Å; V244-L525 HydrophobicContact CG1-CG 4.45Å; V244-L525 HydrophobicContact CG2-CD1 3.75Å; V244-L525 HydrophobicContact CG2-CD2 4.18Å; F246-L525 HydrophobicContact CE2-CD2 4.49Å; F246-L525 HydrophobicContact CZ-CB 4.23Å; F246-L525 HydrophobicContact CZ-CD2 4.09Å; F513-L525 VanDerWaalsContact CA-O 3.27Å; F513-L525 WeakPolarHBondContact CA-O 3.48Å; S514-L525 PolarHBondContact N-O 2.94Å; S514-L525 PolarHBondContact O-N 3.2Å; V516-L525 HydrophobicContact CB-CD1 4.22Å; V516-L525 HydrophobicContact CG1-CD1 3.85Å; V516-L525 HydrophobicContact CG1-CD2 4.47Å; V516-L525 HydrophobicContact CG1-CG 4.21Å; L525-I535 HydrophobicContact CD2-CG2 4.26Å; L525-I535 HydrophobicContact CD2-CD1 3.94Å; L525-I535 HydrophobicContact CD2-CG1 3.99Å
526	A	98.6	Very high	96.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	112.8	-177.2	0	0	0	0	0	110.9	I507 F513 T533 Q534 Y536	I507-A526 HydrophobicContact CD1-CB 3.7Å; I507-A526 HydrophobicContact CG1-CB 4.37Å; F513-A526 HydrophobicContact CD1-CB 3.76Å; F513-A526 HydrophobicContact CE1-CB 3.52Å; A526-T533 WeakPolarHBondContact O-CG2 3.44Å; A526-Q534 HydrophobicContact CB-CB 4.48Å; A526-Q534 PolarHBondContact N-O 3.01Å; A526-Q534 PolarHBondContact O-N 3.33Å; A526-Y536 HydrophobicContact CB-CD2 4.48Å; A526-Y536 HydrophobicContact CB-CE2 4.03Å
527	S	98.4	Very high	96.8	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	145.5	175.2	73	0	0	0	0	111.3	S230 P510 R511 G512	S230-S527 VanDerWaalsContact OG-CA 3.26Å; S230-S527 WeakPolarHBondContact OG-CA 3.45Å; S230-S527 WeakPolarHBondContact OG-CB 3.07Å; P510-S527 WeakPolarHBondContact CA-O 3.45Å; R511-S527 WeakPolarHBondContact CB-OG 3.48Å; R511-S527 PolarHBondContact N-O 2.84Å; R511-S527 PolarHBondContact N-OG 2.92Å; G512-S527 WeakPolarHBondContact CA-OG 3.49Å; G512-S527 PolarHBondContact N-OG 2.89Å; G512-S527 PolarHBondContact O-N 2.79Å; G512-S527 PolarHBondContact O-OG 2.87Å
528	S	98.3	Very high	96.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	117.7	-179.3	179.8	0	0	0	0	109.7	E229 S230 Q508 G531 K532	E229-S528 CarbonylContact C-O 3.45Å; E229-S528 VanDerWaalsContact CA-O 3.31Å; E229-S528 WeakPolarHBondContact CA-O 3.15Å; S230-S528 PolarHBondContact N-O 3.25Å; S230-S528 CarbonylContact O-C 3.49Å; S230-S528 PolarHBondContact O-N 3.01Å; Q508-S528 PolarHBondContact O-OG 3.46Å; S528-G531 WeakPolarHBondContact OG-CA 3.46Å; S528-G531 PolarHBondContact OG-N 3.34Å; S528-G531 PolarHBondContact OG-O 2.79Å; S528-K532 WeakPolarHBondContact CB-O 3.12Å
529	F	97.4	Very high	96.8	Very high	54 Å²	54	38.7 Å²	38.7	24%	0.237	19%	0.187	C	C	.	.	S	Bend	trans	-77.1	-29.6	-175	-174.6	-111.8	0	0	0	113.5	S230 I231 P249 F250 A509 R511	S230-F529 PolarHBondContact O-N 2.78Å; I231-F529 HydrophobicContact CB-CD2 4.25Å; I231-F529 HydrophobicContact CD1-CD2 4.16Å; I231-F529 HydrophobicContact CD1-CE2 3.97Å; I231-F529 HydrophobicContact CG1-CD2 4.1Å; I231-F529 HydrophobicContact CG1-CE2 4.42Å; P249-F529 HydrophobicContact CG-CE2 4.2Å; F250-F529 HydrophobicContact CE2-CD2 4.29Å; F250-F529 AromaticContact CE2-CE2 3.97Å; F250-F529 HydrophobicContact CE2-CE2 3.97Å; F250-F529 HydrophobicContact CE2-CZ 4.22Å; F250-F529 WeakPolarHBondContact CE2-O 3.35Å; F250-F529 HydrophobicContact CZ-CE1 4.3Å; F250-F529 AromaticContact CZ-CE2 3.88Å; F250-F529 HydrophobicContact CZ-CE2 3.88Å; F250-F529 AromaticContact CZ-CZ 3.72Å; F250-F529 HydrophobicContact CZ-CZ 3.72Å; A509-F529 HydrophobicContact CB-CB 4.13Å; A509-F529 WeakPolarHBondContact O-CB 3.34Å; A509-F529 PolarHBondContact O-N 2.91Å; R511-F529 HydrophobicContact CG-CB 3.71Å; R511-F529 HydrophobicContact CG-CG 4.42Å
530	K	94.8	Very high	96.8	Very high	157 Å²	157	42 Å²	42	68%	0.683	20%	0.201	S	C	*	.	S	Bend	trans	-117.7	-13.7	-178.4	-74.1	-168.8	175	-178.6	0	114.2	A509	A509-K530 HydrophobicContact CB-CB 4.27Å; A509-K530 HydrophobicContact CB-CG 4.34Å
531	G	94.4	Very high	96.5	Very high	8 Å²	8	35.9 Å²	35.9	8%	0.082	17%	0.168	C	C	.	.	S	Bend	trans	-122.7	-162.8	-178.6	0	0	0	0	0	111.5	S528	S528-G531 WeakPolarHBondContact OG-CA 3.46Å; S528-G531 PolarHBondContact OG-N 3.34Å; S528-G531 PolarHBondContact OG-O 2.79Å
532	K	95.6	Very high	95.9	Very high	109 Å²	109	37.1 Å²	37.1	47%	0.474	18%	0.179	S	C	.	.			trans	-81.5	131.6	179.3	-69.9	173	-175.6	175.5	0	110	L225 L226 S528	L225-K532 HydrophobicContact CD1-CB 3.5Å; L225-K532 HydrophobicContact CD1-CD 4.16Å; L225-K532 HydrophobicContact CD1-CG 4.49Å; L225-K532 HydrophobicContact CD2-CB 4.49Å; L225-K532 HydrophobicContact CD2-CD 3.57Å; L225-K532 HydrophobicContact CG-CB 3.93Å; L225-K532 HydrophobicContact CG-CD 3.8Å; L225-K532 HydrophobicContact CG-CG 4.49Å; L226-K532 WeakPolarHBondContact O-CB 3.48Å; S528-K532 WeakPolarHBondContact CB-O 3.12Å
533	T	97.8	Very high	94.7	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	138.7	170.2	-59.1	0	0	0	0	109.5	L226 F228 S230 F246 A526	L226-T533 HydrophobicContact CB-CG2 4.42Å; L226-T533 HydrophobicContact CD1-CG2 3.88Å; L226-T533 PolarHBondContact N-O 2.04Å; L226-T533 PolarHBondContact O-N 2.81Å; F228-T533 HydrophobicContact CE2-CG2 4.04Å; F228-T533 WeakPolarHBondContact O-CB 3.2Å; F228-T533 PolarHBondContact O-N 2.77Å; F228-T533 PolarHBondContact O-OG1 3.46Å; S230-T533 PolarHBondContact OG-OG1 3.13Å; F246-T533 HydrophobicContact CD1-CG2 3.88Å; F246-T533 HydrophobicContact CE1-CG2 3.27Å; F246-T533 HydrophobicContact CE2-CG2 4.47Å; F246-T533 HydrophobicContact CZ-CG2 3.63Å; A526-T533 WeakPolarHBondContact O-CG2 3.44Å
534	Q	97.9	Very high	93	Very high	32 Å²	32	41.9 Å²	41.9	15%	0.15	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145.5	-172.7	-75.9	176.8	73.8	0	0	111.2	L225 S506 A526 Y536	L225-Q534 HydrophobicContact CD1-CG 3.48Å; L225-Q534 VanDerWaalsContact CD1-CG 3.48Å; S506-Q534 PolarHBondContact O-NE2 3Å; A526-Q534 HydrophobicContact CB-CB 4.48Å; A526-Q534 PolarHBondContact N-O 3.01Å; A526-Q534 PolarHBondContact O-N 3.33Å; Q534-Y536 HydrophobicContact CB-CE2 3.78Å; Q534-Y536 PolarHBondContact OE1-OH 2.9Å
535	I	98.4	Very high	90.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.6	169.7	-49.8	-172.2	0	0	0	107.1	Y223 Q224 L226 F266 F523 L524 L525	Y223-I535 WeakPolarHBondContact CA-O 3.18Å; Y223-I535 WeakPolarHBondContact CB-O 3.42Å; Y223-I535 HydrophobicContact CD1-CG2 4.32Å; Y223-I535 PolarHBondContact N-O 2.97Å; Q224-I535 HydrophobicContact CB-CB 4.13Å; Q224-I535 HydrophobicContact CB-CD1 4.3Å; Q224-I535 HydrophobicContact CB-CG1 4.36Å; Q224-I535 PolarHBondContact N-O 2.75Å; Q224-I535 PolarHBondContact O-N 3.22Å; L226-I535 HydrophobicContact CD1-CD1 4.07Å; L226-I535 HydrophobicContact CD1-CG1 4.15Å; L226-I535 HydrophobicContact CD2-CD1 4.17Å; L226-I535 HydrophobicContact CG-CD1 4.27Å; L226-I535 HydrophobicContact CG-CG1 4.23Å; F266-I535 HydrophobicContact CB-CD1 4.18Å; F266-I535 HydrophobicContact CD2-CD1 3.43Å; F266-I535 VanDerWaalsContact CD2-CD1 3.43Å; F266-I535 HydrophobicContact CD2-CG2 4.49Å; F266-I535 HydrophobicContact CE2-CD1 4.1Å; F266-I535 HydrophobicContact CE2-CG2 4.25Å; F266-I535 HydrophobicContact CG-CD1 4.01Å; F523-I535 HydrophobicContact CB-CG2 3.91Å; F523-I535 HydrophobicContact CD1-CG2 3.98Å; F523-I535 HydrophobicContact CG-CG2 4.26Å; L524-I535 WeakPolarHBondContact O-CA 3.33Å; L525-I535 HydrophobicContact CD2-CG2 4.26Å; L525-I535 HydrophobicContact CD2-CD1 3.94Å; L525-I535 HydrophobicContact CD2-CG1 3.99Å
536	Y	98.6	Very high	90.4	Very high	9 Å²	9	52.6 Å²	52.6	4%	0.035	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	147.9	172.3	-56.8	-94.6	0	0	0	109.6	F220 A221 L505 I507 F523 L524 A526 Q534	F220-Y536 HydrophobicContact CB-CG 4.33Å; F220-Y536 WeakPolarHBondContact O-CD1 3.44Å; A221-Y536 CarbonylContact O-C 3.6Å; A221-Y536 WeakPolarHBondContact O-CA 3.11Å; A221-Y536 WeakPolarHBondContact O-CB 3.32Å; L505-Y536 HydrophobicContact CD1-CE2 4.29Å; L505-Y536 HydrophobicContact CD2-CD1 4.18Å; L505-Y536 HydrophobicContact CD2-CE1 3.87Å; I507-Y536 HydrophobicContact CD1-CE2 4.05Å; I507-Y536 HydrophobicContact CG1-CE2 4.29Å; I507-Y536 VanDerWaalsContact CG1-OH 3.29Å; I507-Y536 WeakPolarHBondContact CG1-OH 3.19Å; F523-Y536 WeakPolarHBondContact CA-O 3.49Å; F523-Y536 CarbonylContact C-O 3.59Å; L524-Y536 HydrophobicContact CD2-CD2 4.31Å; L524-Y536 PolarHBondContact N-O 3.47Å; L524-Y536 PolarHBondContact O-N 3.44Å; A526-Y536 HydrophobicContact CB-CD2 4.48Å; A526-Y536 HydrophobicContact CB-CE2 4.03Å; Q534-Y536 HydrophobicContact CB-CE2 3.78Å; Q534-Y536 PolarHBondContact OE1-OH 2.9Å
537	E	98.3	Very high	89.9	Confident	31 Å²	31	55.4 Å²	55.4	15%	0.145	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	134.6	170	-178.6	172.9	-161.6	0	0	109.5	F220 A221 Y223 R521 F523 L539	F220-E537 CarbonylContact C-O 3.52Å; F220-E537 WeakPolarHBondContact CA-O 3.45Å; A221-E537 PolarHBondContact N-O 2.77Å; A221-E537 PolarHBondContact O-N 3.11Å; Y223-E537 HydrophobicContact CD2-CB 4.14Å; Y223-E537 HydrophobicContact CG-CB 4.37Å; R521-E537 IonicContact CZ-OE1 3.72Å; R521-E537 VanDerWaalsContact CZ-OE1 3.22Å; R521-E537 IonicContact CZ-OE2 3.81Å; R521-E537 PolarHBondContact NE-OE1 2.04Å; R521-E537 IonicContact NE-OE1 3.56Å; R521-E537 PolarHBondContact NH2-OE2 3.12Å; R521-E537 IonicContact NH2-OE2 3.21Å; R521-E537 IonicContact NH2-OE1 3.71Å; R521-E537 PolarHBondContact NH2-OE1 3.29Å; F523-E537 HydrophobicContact CD1-CB 4.01Å; F523-E537 HydrophobicContact CD1-CG 4.37Å; F523-E537 HydrophobicContact CE1-CB 3.97Å; F523-E537 HydrophobicContact CE1-CG 4.07Å; E537-L539 HydrophobicContact CG-CD2 3.75Å; E537-L539 HydrophobicContact CG-CG 4.28Å; E537-L539 PolarHBondContact O-N 2.69Å
538	H	98	Very high	89.5	Confident	21 Å²	21	58.4 Å²	58.4	10%	0.097	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	114.1	172.8	-176.7	-98.1	0	0	0	109.6	T218 E219 F220 V472 Y477 V522	T218-H538 WeakPolarHBondContact CB-NE2 3.01Å; E219-H538 WeakPolarHBondContact O-CA 3.03Å; F220-H538 HydrophobicContact CD1-CB 4.13Å; F220-H538 HydrophobicContact CE1-CB 3.99Å; F220-H538 AromaticContact CE1-CD2 3.64Å; F220-H538 AromaticContact CZ-CD2 3.77Å; V472-H538 HydrophobicContact CG1-CB 4.33Å; V472-H538 WeakPolarHBondContact CG1-ND1 3.5Å; Y477-H538 AromaticContact CE2-NE2 3.82Å; Y477-H538 AromaticContact CZ-NE2 3.67Å; Y477-H538 PolarHBondContact OH-NE2 3.28Å; V522-H538 HydrophobicContact CB-CB 4.14Å; V522-H538 HydrophobicContact CG1-CB 4.46Å; V522-H538 PolarHBondContact O-N 3.45Å
539	L	95.4	Very high	88.9	Confident	60 Å²	60	61.9 Å²	61.9	31%	0.314	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	141.4	-179.9	-61.2	-179.6	0	0	0	110.3	T218 E219 A221 E537	T218-L539 CarbonylContact C-O 3.52Å; T218-L539 WeakPolarHBondContact CA-O 3.18Å; E219-L539 HydrophobicContact CG-CB 4.22Å; E219-L539 PolarHBondContact N-O 3.02Å; E219-L539 PolarHBondContact O-N 2.83Å; A221-L539 HydrophobicContact CB-CD1 3.58Å; A221-L539 HydrophobicContact CB-CG 4.16Å; E537-L539 HydrophobicContact CG-CD2 3.75Å; E537-L539 HydrophobicContact CG-CG 4.28Å; E537-L539 PolarHBondContact O-N 2.69Å
540	M	90.5	Very high	88.4	Confident	140 Å²	140	62.4 Å²	62.4	69%	0.69	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	129.3	166.4	-66.7	-173.9	-68	0	0	108.9	I216 T217 T218	I216-M540 HydrophobicContact CG2-CB 4.36Å; T217-M540 WeakPolarHBondContact O-CA 3.44Å; T218-M540 HydrophobicContact CG2-CG 4.32Å
541	I	86.2	Confident	88	Confident	52 Å²	52	56.1 Å²	56.1	27%	0.267	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.3	180	-61.4	167.8	0	0	0	108.3	I216 T217 E219 L543	I216-I541 WeakPolarHBondContact CA-O 3.27Å; T217-I541 HydrophobicContact CG2-CB 3.79Å; T217-I541 HydrophobicContact CG2-CG2 4.24Å; T217-I541 PolarHBondContact N-O 2.89Å; T217-I541 PolarHBondContact O-N 3.2Å; E219-I541 HydrophobicContact CB-CD1 4.23Å; E219-I541 HydrophobicContact CG-CD1 3.57Å; E219-I541 HydrophobicContact CG-CG1 4.44Å; I541-L543 HydrophobicContact CG2-CD2 3.96Å
542	D	81.2	Confident	87.5	Confident	81 Å²	81	59.5 Å²	59.5	43%	0.433	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	119.1	167.8	-165.4	-24	0	0	0	109.3	S544	D542-S544 VanDerWaalsContact C-N 3.31Å; D542-S544 VanDerWaalsContact CG-OG 3.3Å; D542-S544 VanDerWaalsContact OD1-CB 3.25Å; D542-S544 WeakPolarHBondContact OD1-CB 3.14Å; D542-S544 PolarHBondContact OD1-N 3.06Å; D542-S544 PolarHBondContact OD1-OG 3.11Å; D542-S544 PolarHBondContact OD2-OG 3.05Å
543	L	73.7	Confident	86.9	Confident	85 Å²	85	55.7 Å²	55.7	45%	0.445	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	6.5	179.3	-61.9	176.8	0	0	0	113.2	C173 C215 T217 I541	C173-L543 HydrophobicContact CB-CB 3.87Å; C215-L543 HydrophobicContact CB-CB 4.31Å; C215-L543 WeakPolarHBondContact O-CB 3.46Å; C215-L543 PolarHBondContact O-N 2.97Å; T217-L543 HydrophobicContact CG2-CD1 3.84Å; T217-L543 HydrophobicContact CG2-CD2 4.01Å; T217-L543 HydrophobicContact CG2-CG 3.86Å; I541-L543 HydrophobicContact CG2-CD2 3.96Å
544	S	63.3	Low	86	Confident	40 Å²	40	60.3 Å²	60.3	28%	0.28	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-7.7	-178.6	67.4	0	0	0	0	115.8	K176 D542	K176-S544 PolarHBondContact NZ-OG 3.32Å; D542-S544 VanDerWaalsContact C-N 3.31Å; D542-S544 VanDerWaalsContact CG-OG 3.3Å; D542-S544 VanDerWaalsContact OD1-CB 3.25Å; D542-S544 WeakPolarHBondContact OD1-CB 3.14Å; D542-S544 PolarHBondContact OD1-N 3.06Å; D542-S544 PolarHBondContact OD1-OG 3.11Å; D542-S544 PolarHBondContact OD2-OG 3.05Å
545	D	50.9	Low	84.9	Confident	173 Å²	173	62.9 Å²	62.9	93%	0.925	33%	0.33	S	S	*	.			trans	-90.3	0	-176.8	-74.6	-25.2	0	0	0	115.3	N151	N151-D545 PolarHBondContact ND2-OXT 3.07Å

Retrieved 545 of 545 residues in 1430.9 ms (Link to these results)

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