A0A087YKI6_POEFO Loading...

WD repeat domain 31

AlphaFold DB , UniProt , Accession A0A087YKI6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 360 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	A	34.6	Very low	33.1	Very low	152 Å²	152	169.2 Å²	169.2	100%	1.256	89%	0.888	S	S	*	*				0	128.6	0	0	0	0	0	0	108.8
2	N	32.7	Very low	33.2	Very low	146 Å²	146	171.7 Å²	171.7	78%	0.781	89%	0.886	S	S	*	*			trans	42.2	110.1	163.3	-71	-9	0	0	0	119.9
3	M	32.6	Very low	32.9	Very low	175 Å²	175	177.2 Å²	177.2	86%	0.862	89%	0.888	S	S	*	*				69.6	121.8	77.8	-80.9	-131.5	-60.8	0	0	114.4
4	G	32.2	Very low	32.8	Very low	79 Å²	79	172.4 Å²	172.4	81%	0.814	88%	0.879	S	S	*	*			trans	-166.6	89.9	161.2	0	0	0	0	0	111.5
5	K	38.1	Very low	32.8	Very low	203 Å²	203	173.5 Å²	173.5	88%	0.883	88%	0.88	S	S	*	*			trans	-76.7	140.4	165.9	-78.3	177.9	176.1	175.5	0	109.3
6	L	34.3	Very low	32.7	Very low	178 Å²	178	172.3 Å²	172.3	93%	0.932	88%	0.875	S	S	*	*			trans	-124.8	114.5	164.3	-95.5	151.8	0	0	0	108.9
7	Q	32.3	Very low	32.6	Very low	178 Å²	178	175.9 Å²	175.9	83%	0.832	88%	0.878	S	S	*	*			trans	-94.5	140	162.1	-76.1	-150.5	-11.6	0	0	109.2
8	S	35.7	Very low	32.4	Very low	105 Å²	105	179.4 Å²	179.4	73%	0.734	88%	0.879	S	S	*	*			trans	-131.7	121.4	170.4	171.4	0	0	0	0	109
9	K	32.1	Very low	32.1	Very low	195 Å²	195	175.9 Å²	175.9	85%	0.848	87%	0.874	S	S	*	*			trans	-83.5	136.4	178.8	-65.9	173.9	175.8	176.4	0	109.1
10	F	29.2	Very low	32.7	Very low	202 Å²	202	172.6 Å²	172.6	89%	0.886	87%	0.866	S	S	*	*			trans	-116.3	128.4	163.5	-98.8	-87.7	0	0	0	111.2
11	R	30.2	Very low	32.6	Very low	248 Å²	248	173.9 Å²	173.9	94%	0.936	87%	0.869	S	S	*	*			trans	-110.6	135.3	-178.2	-154	178.9	-172.6	-174	1.5	108.3
12	K	34.7	Very low	32.4	Very low	199 Å²	199	170 Å²	170	87%	0.865	85%	0.845	S	S	*	*			trans	-57.1	148.1	-179.7	-76.1	175.6	170.6	178.6	0	114.5
13	R	29	Very low	32.2	Very low	244 Å²	244	172.7 Å²	172.7	92%	0.921	85%	0.852	S	S	*	*				164.1	136.7	114.2	-97	-177.9	172.3	176.2	-2.2	111.8
14	S	30.9	Very low	32.6	Very low	109 Å²	109	174.5 Å²	174.5	76%	0.762	86%	0.856	S	S	*	*			trans	-170.6	101.7	131.9	54.6	0	0	0	0	110.5
15	E	33.3	Very low	32.6	Very low	189 Å²	189	175 Å²	175	88%	0.883	85%	0.852	S	S	*	*			trans	-67.2	131.1	148.8	-67.6	168	170.5	0	0	107.2
16	L	31.3	Very low	32.1	Very low	154 Å²	154	173.8 Å²	173.8	81%	0.806	85%	0.849	S	S	*	*			trans	-173.2	97.3	160.6	-99	152.7	0	0	0	106.7
17	Y	31.5	Very low	32.2	Very low	234 Å²	234	172.8 Å²	172.8	92%	0.918	85%	0.845	S	S	*	*			trans	171	105.5	137.3	-98.8	-75.7	0	0	0	107.8
18	R	29.3	Very low	32.3	Very low	240 Å²	240	170 Å²	170	91%	0.906	84%	0.84	S	S	*	*			trans	-123.4	130.6	165.4	-179	-175.6	-73	179.4	-2.4	106.5
19	S	26.6	Very low	32.3	Very low	113 Å²	113	174.4 Å²	174.4	79%	0.79	85%	0.846	S	S	*	*			trans	-126.3	146.4	158.9	50.6	0	0	0	0	109.3
20	P	44.3	Very low	32.9	Very low	109 Å²	109	171.9 Å²	171.9	71%	0.708	84%	0.842	S	S	*	*			trans	-113.2	170.6	-168	40	-28.4	0	0	0	114.7
21	Q	29.1	Very low	34.4	Very low	199 Å²	199	165.5 Å²	165.5	93%	0.93	82%	0.823	S	S	*	*			trans	81.2	129.9	172.8	-55.2	176.8	-7.4	0	0	114.1
22	G	30.1	Very low	37	Very low	72 Å²	72	162 Å²	162	74%	0.742	82%	0.817	S	S	*	*			cis	152.4	113.5	2.7	0	0	0	0	0	106.9
23	E	29.3	Very low	39.7	Very low	202 Å²	202	154.9 Å²	154.9	94%	0.944	79%	0.79	S	S	*	*			trans	-155	130.1	167.3	-111.9	171.5	-162.6	0	0	109.7
24	K	40.7	Very low	42.8	Very low	213 Å²	213	147.6 Å²	147.6	93%	0.926	77%	0.769	S	S	*	*			trans	-86.4	123.6	174.4	-81.2	179.5	171.9	-179.5	0	109
25	A	31.8	Very low	45.9	Very low	89 Å²	89	148.5 Å²	148.5	74%	0.736	76%	0.761	S	S	*	*			trans	172.7	135.8	158.9	0	0	0	0	0	104.9
26	E	27.9	Very low	48.8	Very low	178 Å²	178	142.1 Å²	142.1	83%	0.832	73%	0.729	S	S	*	*			cis	-160.5	159.7	13	-103.3	165.6	177.4	0	0	105.4	T28	E26-T28 PolarHBondContact O-N 2.86Å
27	N	38	Very low	51.9	Low	157 Å²	157	141.4 Å²	141.4	84%	0.84	72%	0.722	S	S	*	*			trans	-57.2	95.4	177.7	-78.8	-26.5	0	0	0	112.4
28	T	32.4	Very low	54.9	Low	120 Å²	120	132.9 Å²	132.9	74%	0.736	70%	0.695	S	S	*	*			trans	-81.3	107.8	149.5	3	0	0	0	0	106.5	E26 D30	E26-T28 PolarHBondContact O-N 2.86Å; T28-D30 PolarHBondContact O-N 2.8Å
29	F	37.2	Very low	58.1	Low	196 Å²	196	121.8 Å²	121.8	86%	0.86	66%	0.655	S	S	*	*			trans	-65.7	79.9	156	-86.6	-88.5	0	0	0	106.8	S31	F29-S31 VanDerWaalsContact C-N 3.28Å; F29-S31 PolarHBondContact O-N 2.83Å
30	D	43.4	Very low	61.5	Low	142 Å²	142	116.9 Å²	116.9	76%	0.759	62%	0.619	S	S	*	*			trans	-61.4	100.3	159.1	-104.7	-16.3	0	0	0	105	T28 Q32	T28-D30 PolarHBondContact O-N 2.8Å; D30-Q32 PolarHBondContact O-N 2.96Å
31	S	61.5	Low	63.7	Low	69 Å²	69	121.5 Å²	121.5	48%	0.483	62%	0.624	S	S	.	*			trans	-65.5	96.6	168.3	74	0	0	0	0	106	F29 V33	F29-S31 VanDerWaalsContact C-N 3.28Å; F29-S31 PolarHBondContact O-N 2.83Å; S31-V33 PolarHBondContact O-N 2.85Å; S31-V33 VanDerWaalsContact O-N 3.13Å
32	Q	83.9	Confident	66.7	Low	174 Å²	174	113.3 Å²	113.3	81%	0.813	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-57.1	121.1	178.9	-171.8	174.3	6.9	0	0	108.3	D30 L34	D30-Q32 PolarHBondContact O-N 2.96Å; Q32-L34 PolarHBondContact O-N 2.84Å
33	V	92.1	Very high	69.9	Low	49 Å²	49	111.2 Å²	111.2	30%	0.297	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-61	120.3	174.7	-178.5	0	0	0	0	107.7	S31 V356 R359	S31-V33 PolarHBondContact O-N 2.85Å; S31-V33 VanDerWaalsContact O-N 3.13Å; V33-V356 HydrophobicContact CG1-CG1 3.84Å; V33-R359 HydrophobicContact CG1-CG 3.91Å
34	L	94.5	Very high	73.1	Confident	92 Å²	92	101.6 Å²	101.6	48%	0.482	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	134.6	177.6	-63.9	173.3	0	0	0	109.1	Q32 Y36 V357 A358 R359	Q32-L34 PolarHBondContact O-N 2.84Å; L34-Y36 HydrophobicContact CB-CE1 4.32Å; L34-Y36 WeakPolarHBondContact CD1-OH 3.43Å; L34-V357 PolarHBondContact N-O 2.82Å; L34-A358 HydrophobicContact CB-CB 3.97Å; L34-A358 CarbonylContact O-C 3.58Å; L34-A358 WeakPolarHBondContact O-CA 3.5Å; L34-R359 PolarHBondContact O-N 3.3Å
35	Q	95.1	Very high	75.9	Confident	127 Å²	127	92.9 Å²	92.9	59%	0.593	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	109.1	175.3	-175.1	63.7	62	0	0	107.7	R359	Q35-R359 PolarHBondContact NE2-O 2.97Å
36	Y	95.3	Very high	79	Confident	55 Å²	55	89 Å²	89	22%	0.216	45%	0.453	C	S	.	.			trans	-95.3	176	173.1	-52	-56.9	0	0	0	110.7	L34 Y67 K70 G72 A358 R359 F360	L34-Y36 HydrophobicContact CB-CE1 4.32Å; L34-Y36 WeakPolarHBondContact CD1-OH 3.43Å; Y36-Y67 WeakPolarHBondContact CB-OH 3.43Å; Y36-K70 PolarHBondContact OH-O 3.24Å; Y36-G72 VanDerWaalsContact CD2-CA 3.41Å; Y36-A358 HydrophobicContact CD2-CB 4.16Å; Y36-A358 HydrophobicContact CE2-CB 3.7Å; Y36-R359 PolarHBondContact N-O 3.33Å; Y36-F360 HydrophobicContact CD2-CB 4.13Å; Y36-F360 HydrophobicContact CD2-CD1 4.21Å; Y36-F360 HydrophobicContact CD2-CG 4.49Å
37	E	95.1	Very high	82.4	Confident	140 Å²	140	80.8 Å²	80.8	65%	0.654	42%	0.415	S	S	*	.			trans	-63.3	135	173.1	-74.1	-61.7	152.6	0	0	110.5	A39 Y67	E37-A39 PolarHBondContact O-N 2.87Å; E37-Y67 WeakPolarHBondContact O-CE2 3.15Å; E37-Y67 PolarHBondContact O-OH 3.29Å
38	P	95.6	Very high	85.3	Confident	55 Å²	55	74.6 Å²	74.6	36%	0.357	38%	0.382	S	S	.	.			trans	-59.7	133.1	179.3	-23.3	33.2	0	0	0	113	H40 F360	P38-H40 VanDerWaalsContact C-N 3.3Å; P38-H40 WeakPolarHBondContact CB-O 3.48Å; P38-F360 WeakPolarHBondContact CA-OXT 3.2Å
39	A	96.4	Very high	88.3	Confident	6 Å²	6	70.8 Å²	70.8	5%	0.05	36%	0.357	C	S	.	.	S	Bend	trans	-67.1	-35.8	169.4	0	0	0	0	0	110.3	E37 V65 Y67 L327 F360	E37-A39 PolarHBondContact O-N 2.87Å; A39-V65 HydrophobicContact CB-CG1 4.14Å; A39-V65 WeakPolarHBondContact O-CG2 3.47Å; A39-Y67 HydrophobicContact CB-CD2 3.69Å; A39-Y67 HydrophobicContact CB-CE2 4.12Å; A39-Y67 HydrophobicContact CB-CG 4.41Å; A39-L327 HydrophobicContact CB-CD1 4.22Å; A39-F360 WeakPolarHBondContact CB-OXT 3.25Å; A39-F360 PolarHBondContact N-OXT 2.82Å
40	H	96.8	Very high	91	Very high	10 Å²	10	62.9 Å²	62.9	5%	0.046	32%	0.324	C	S	.	.			trans	-134	149.4	-179.4	-67.5	-87.1	0	0	0	111	P38 I44 S57 D61 V63	P38-H40 VanDerWaalsContact C-N 3.3Å; P38-H40 WeakPolarHBondContact CB-O 3.48Å; H40-I44 HydrophobicContact CB-CD1 4.08Å; H40-I44 HydrophobicContact CB-CG1 3.81Å; H40-S57 PolarHBondContact CD2-OG 3.2Å; H40-S57 WeakPolarHBondContact NE2-CB 3.36Å; H40-S57 PolarHBondContact NE2-OG 2.65Å; H40-D61 WeakPolarHBondContact CA-OD2 3.16Å; H40-D61 VanDerWaalsContact CB-OD2 3.26Å; H40-D61 WeakPolarHBondContact CB-OD2 3.03Å; H40-D61 IonicContact CE1-OD1 3.91Å; H40-D61 IonicContact CG-OD1 2.67Å; H40-D61 IonicContact CG-OD2 3.04Å; H40-D61 VanDerWaalsContact ND1-CG 3.34Å; H40-D61 IonicContact ND1-OD1 2.8Å; H40-D61 PolarHBondContact ND1-OD1 3.08Å; H40-D61 IonicContact ND1-OD2 2.77Å; H40-D61 PolarHBondContact ND1-OD2 2.86Å; H40-V63 PolarHBondContact CE1-O 3.23Å
41	Y	91.9	Very high	93.4	Very high	207 Å²	207	57.9 Å²	57.9	81%	0.812	30%	0.3	S	S	*	.	S	Bend	trans	-96.3	-5.3	173.3	-63.6	-75.5	0	0	0	112.9	D61	Y41-D61 PolarHBondContact N-OD2 3.48Å
42	G	92.4	Very high	94.8	Very high	26 Å²	26	58.7 Å²	58.7	27%	0.268	30%	0.304	S	S	.	.	S	Bend	trans	-116.5	-172.6	175.1	0	0	0	0	0	112.8	S60	G42-S60 WeakPolarHBondContact CA-OG 3.21Å
43	S	96.1	Very high	95.3	Very high	29 Å²	29	53.6 Å²	53.6	20%	0.203	28%	0.282	C	S	.	.			trans	-66.4	136.8	174.7	57.7	0	0	0	0	110.5	G59 S60 F323	S43-G59 CarbonylContact O-C 3.53Å; S43-G59 WeakPolarHBondContact O-CA 3.5Å; S43-S60 PolarHBondContact N-OG 3.03Å; S43-S60 PolarHBondContact O-N 3.12Å; S43-S60 WeakPolarHBondContact OG-CB 3.42Å; S43-S60 PolarHBondContact OG-OG 2.85Å; S43-F323 WeakPolarHBondContact CA-O 3.25Å; S43-F323 WeakPolarHBondContact CB-O 3.45Å
44	I	97.9	Very high	95.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	125.2	177.6	-51.9	-177.8	0	0	0	108.6	H40 V308 A321 S322 L327	H40-I44 HydrophobicContact CB-CD1 4.08Å; H40-I44 HydrophobicContact CB-CG1 3.81Å; I44-V308 VanDerWaalsContact O-CG2 3.24Å; I44-V308 WeakPolarHBondContact O-CG2 3.43Å; I44-A321 HydrophobicContact CB-CB 4.09Å; I44-A321 HydrophobicContact CG2-CB 3.7Å; I44-S322 PolarHBondContact N-O 2.75Å; I44-L327 HydrophobicContact CD1-CB 4.47Å; I44-L327 HydrophobicContact CD1-CD1 4.45Å; I44-L327 HydrophobicContact CD1-CD2 3.96Å; I44-L327 HydrophobicContact CD1-CG 3.59Å; I44-L327 HydrophobicContact CG2-CD2 4.06Å
45	N	97.8	Very high	95.6	Very high	30 Å²	30	48.9 Å²	48.9	16%	0.16	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-25.7	-176	-70.8	-34.5	0	0	0	112.6	G58 V85 V308	N45-G58 PolarHBondContact N-O 3.29Å; N45-V85 WeakPolarHBondContact CB-O 3.44Å; N45-V85 PolarHBondContact ND2-O 3.33Å; N45-V308 WeakPolarHBondContact O-CG2 3.38Å
46	T	98.5	Very high	95.8	Very high	7 Å²	7	42.8 Å²	42.8	4%	0.043	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	145.3	-166.8	-176.4	0	0	0	0	110.8	S57 G58 V85 V88	T46-S57 VanDerWaalsContact O-CA 3.28Å; T46-S57 WeakPolarHBondContact O-CA 3.44Å; T46-S57 WeakPolarHBondContact O-CB 3.27Å; T46-G58 PolarHBondContact N-O 3.19Å; T46-G58 PolarHBondContact O-N 2.79Å; T46-G58 VanDerWaalsContact O-N 3.12Å; T46-V85 HydrophobicContact CG2-CG1 4.39Å; T46-V88 HydrophobicContact CG2-CB 4.22Å; T46-V88 HydrophobicContact CG2-CG1 3.9Å; T46-V88 HydrophobicContact CG2-CG2 3.74Å; T46-V88 PolarHBondContact OG1-N 2.86Å
47	V	98.6	Very high	96	Very high	6 Å²	6	40.2 Å²	40.2	4%	0.036	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	142.2	170.2	62.4	0	0	0	0	109.4	C55 V56 S309 T311 L319 A321 L327	V47-C55 HydrophobicContact CG2-CB 4.09Å; V47-V56 CarbonylContact C-O 3.59Å; V47-V56 VanDerWaalsContact CA-O 3.31Å; V47-V56 WeakPolarHBondContact CA-O 3.22Å; V47-S309 PolarHBondContact N-OG 3.46Å; V47-S309 PolarHBondContact O-OG 2.92Å; V47-T311 HydrophobicContact CG1-CG2 4.02Å; V47-T311 HydrophobicContact CG2-CG2 4.03Å; V47-L319 HydrophobicContact CG2-CB 4.36Å; V47-L319 HydrophobicContact CG2-CD1 4.46Å; V47-A321 HydrophobicContact CB-CB 4.39Å; V47-A321 HydrophobicContact CG1-CB 4.05Å; V47-L327 HydrophobicContact CB-CD2 3.85Å; V47-L327 HydrophobicContact CG1-CD2 4.3Å; V47-L327 HydrophobicContact CG2-CD2 3.89Å
48	T	97.8	Very high	96.1	Very high	26 Å²	26	33.5 Å²	33.5	16%	0.16	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	150.2	172.9	-170.9	0	0	0	0	110.1	C55 V56 V88	T48-C55 WeakPolarHBondContact O-CA 3.44Å; T48-V56 HydrophobicContact CG2-CB 3.99Å; T48-V56 PolarHBondContact N-O 3.23Å; T48-V56 PolarHBondContact O-N 2.72Å; T48-V88 HydrophobicContact CG2-CB 4.49Å; T48-V88 HydrophobicContact CG2-CG2 3.85Å
49	N	95.6	Very high	96.2	Very high	40 Å²	40	30.9 Å²	30.9	21%	0.214	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	135.4	171.7	-161.7	51.1	0	0	0	110.5	S51 L54 T311 T313	N49-S51 PolarHBondContact ND2-O 2.97Å; N49-S51 PolarHBondContact OD1-O 2.99Å; N49-L54 PolarHBondContact OD1-O 3.13Å; N49-T311 PolarHBondContact N-OG1 2.76Å; N49-T313 WeakPolarHBondContact OD1-CG2 2.89Å
50	L	95.6	Very high	96.3	Very high	31 Å²	31	32.2 Å²	32.2	16%	0.162	18%	0.177	C	C	.	.	S	Bend	trans	-105.1	-45.6	173.4	170.1	70.6	0	0	0	110.4	L54 V56 V66 C90 L111	L50-L54 HydrophobicContact CB-CB 4.25Å; L50-L54 WeakPolarHBondContact CB-O 3.39Å; L50-L54 HydrophobicContact CD2-CB 3.92Å; L50-L54 HydrophobicContact CD2-CD1 3.95Å; L50-L54 HydrophobicContact CG-CB 4.42Å; L50-L54 PolarHBondContact N-O 3.18Å; L50-V56 HydrophobicContact CB-CG2 4.05Å; L50-V56 HydrophobicContact CD2-CG2 4.22Å; L50-V66 HydrophobicContact CD2-CG1 3.98Å; L50-C90 HydrophobicContact CD1-CB 3.91Å; L50-L111 HydrophobicContact CD1-CD1 4Å; L50-L111 HydrophobicContact CD2-CD1 3.38Å; L50-L111 HydrophobicContact CG-CD1 4.28Å
51	S	93.1	Very high	96.3	Very high	37 Å²	37	33.9 Å²	33.9	26%	0.259	19%	0.187	S	C	.	.	S	Bend	trans	-148.2	172.7	176.7	80.9	0	0	0	0	109.1	N49 D53 L54	N49-S51 PolarHBondContact ND2-O 2.97Å; N49-S51 PolarHBondContact OD1-O 2.99Å; S51-D53 PolarHBondContact O-N 3.31Å; S51-D53 PolarHBondContact OG-N 3.15Å; S51-L54 PolarHBondContact N-O 3.27Å; S51-L54 VanDerWaalsContact N-O 3.11Å; S51-L54 PolarHBondContact O-N 2.75Å; S51-L54 WeakPolarHBondContact OG-CB 3.47Å; S51-L54 WeakPolarHBondContact OG-CG 3.32Å; S51-L54 PolarHBondContact OG-N 3.29Å
52	P	91.1	Very high	96.6	Very high	86 Å²	86	28 Å²	28	56%	0.558	17%	0.166	S	C	*	.	S	Bend	trans	-56.5	-16.8	-179.8	-27.2	36.4	0	0	0	115.8	W69 K70	P52-W69 WeakPolarHBondContact O-CZ2 3.2Å; P52-K70 VanDerWaalsContact O-CE 3.25Å; P52-K70 WeakPolarHBondContact O-CE 3.29Å; P52-K70 PolarHBondContact O-NZ 3.23Å
53	D	93.4	Very high	96.8	Very high	67 Å²	67	27.7 Å²	27.7	36%	0.358	16%	0.16	S	C	.	.	S	Bend	trans	-121.2	-13.9	-177	-51.6	-25.4	0	0	0	112.1	S51 D68 W69 K70	S51-D53 PolarHBondContact O-N 3.31Å; S51-D53 PolarHBondContact OG-N 3.15Å; D53-D68 WeakPolarHBondContact O-CA 3.49Å; D53-W69 PolarHBondContact O-N 2.83Å; D53-W69 PolarHBondContact O-NE1 3.06Å; D53-K70 HydrophobicContact CB-CD 4.24Å; D53-K70 WeakPolarHBondContact OD1-CD 3.44Å; D53-K70 WeakPolarHBondContact OD1-CE 3.44Å; D53-K70 IonicContact OD1-NZ 3.57Å; D53-K70 PolarHBondContact OD1-NZ 3.48Å
54	L	96.5	Very high	96.9	Very high	41 Å²	41	26.3 Å²	26.3	22%	0.215	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	134.8	-175.6	-57.2	-179.5	0	0	0	111.7	N49 L50 S51 V66 Y67 D68	N49-L54 PolarHBondContact OD1-O 3.13Å; L50-L54 HydrophobicContact CB-CB 4.25Å; L50-L54 WeakPolarHBondContact CB-O 3.39Å; L50-L54 HydrophobicContact CD2-CB 3.92Å; L50-L54 HydrophobicContact CD2-CD1 3.95Å; L50-L54 HydrophobicContact CG-CB 4.42Å; L50-L54 PolarHBondContact N-O 3.18Å; S51-L54 PolarHBondContact N-O 3.27Å; S51-L54 VanDerWaalsContact N-O 3.11Å; S51-L54 PolarHBondContact O-N 2.75Å; S51-L54 WeakPolarHBondContact OG-CB 3.47Å; S51-L54 WeakPolarHBondContact OG-CG 3.32Å; S51-L54 PolarHBondContact OG-N 3.29Å; L54-V66 HydrophobicContact CB-CG1 4.42Å; L54-V66 HydrophobicContact CD1-CG1 4.36Å; L54-Y67 WeakPolarHBondContact CA-O 3.11Å; L54-D68 HydrophobicContact CD2-CB 3.63Å
55	C	97.8	Very high	97	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	158	167.3	66.3	0	0	0	0	111.3	V47 T48 V66 Y67 L319	V47-C55 HydrophobicContact CG2-CB 4.09Å; T48-C55 WeakPolarHBondContact O-CA 3.44Å; C55-V66 WeakPolarHBondContact O-CA 3.37Å; C55-Y67 PolarHBondContact N-O 3.11Å; C55-Y67 PolarHBondContact O-N 3Å; C55-L319 HydrophobicContact CB-CD1 3.4Å
56	V	98.6	Very high	97	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	133	170.4	179.3	0	0	0	0	109	V47 T48 L50 V64 V65 V66 V88 I97	V47-V56 CarbonylContact C-O 3.59Å; V47-V56 VanDerWaalsContact CA-O 3.31Å; V47-V56 WeakPolarHBondContact CA-O 3.22Å; T48-V56 HydrophobicContact CG2-CB 3.99Å; T48-V56 PolarHBondContact N-O 3.23Å; T48-V56 PolarHBondContact O-N 2.72Å; L50-V56 HydrophobicContact CB-CG2 4.05Å; L50-V56 HydrophobicContact CD2-CG2 4.22Å; V56-V64 HydrophobicContact CG1-CG1 3.51Å; V56-V65 CarbonylContact C-O 3.58Å; V56-V65 VanDerWaalsContact CA-O 3.23Å; V56-V65 WeakPolarHBondContact CA-O 3.47Å; V56-V66 HydrophobicContact CG2-CG2 3.89Å; V56-V88 HydrophobicContact CG1-CB 4.04Å; V56-V88 HydrophobicContact CG1-CG1 4.24Å; V56-V88 HydrophobicContact CG1-CG2 4.13Å; V56-V88 WeakPolarHBondContact O-CG2 3.41Å; V56-I97 HydrophobicContact CG1-CD1 4.42Å; V56-I97 HydrophobicContact CG1-CG2 3.79Å; V56-I97 HydrophobicContact CG2-CD1 3.66Å; V56-I97 HydrophobicContact CG2-CG1 4.09Å
57	S	98.8	Very high	97	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	158.8	177.7	55.1	0	0	0	0	112.1	H40 T46 V64 V65	H40-S57 PolarHBondContact CD2-OG 3.2Å; H40-S57 WeakPolarHBondContact NE2-CB 3.36Å; H40-S57 PolarHBondContact NE2-OG 2.65Å; T46-S57 VanDerWaalsContact O-CA 3.28Å; T46-S57 WeakPolarHBondContact O-CA 3.44Å; T46-S57 WeakPolarHBondContact O-CB 3.27Å; S57-V64 CarbonylContact O-C 3.6Å; S57-V64 WeakPolarHBondContact O-CA 3.09Å; S57-V65 PolarHBondContact N-O 2.88Å; S57-V65 PolarHBondContact O-N 2.81Å
58	G	98.5	Very high	96.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	140.6	176.7	0	0	0	0	0	111	N45 T46	N45-G58 PolarHBondContact N-O 3.29Å; T46-G58 PolarHBondContact N-O 3.19Å; T46-G58 PolarHBondContact O-N 2.79Å; T46-G58 VanDerWaalsContact O-N 3.12Å
59	G	96.9	Very high	96.8	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	-176.9	-170.1	0	0	0	0	0	115.5	S43 D61 Q62 V85	S43-G59 CarbonylContact O-C 3.53Å; S43-G59 WeakPolarHBondContact O-CA 3.5Å; G59-D61 PolarHBondContact O-N 2.85Å; G59-Q62 PolarHBondContact O-N 3.44Å; G59-V85 PolarHBondContact O-N 3.1Å
60	S	97.6	Very high	96.7	Very high	33 Å²	33	26.6 Å²	26.6	23%	0.231	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-15.4	175.5	64.2	0	0	0	0	113.4	G42 S43 Q62	G42-S60 WeakPolarHBondContact CA-OG 3.21Å; S43-S60 PolarHBondContact N-OG 3.03Å; S43-S60 PolarHBondContact O-N 3.12Å; S43-S60 WeakPolarHBondContact OG-CB 3.42Å; S43-S60 PolarHBondContact OG-OG 2.85Å; S60-Q62 PolarHBondContact O-N 2.89Å
61	D	97.2	Very high	96.6	Very high	46 Å²	46	31.1 Å²	31.1	25%	0.246	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	2	173	57.2	4.3	0	0	0	113.4	H40 Y41 G59 V63	H40-D61 WeakPolarHBondContact CA-OD2 3.16Å; H40-D61 VanDerWaalsContact CB-OD2 3.26Å; H40-D61 WeakPolarHBondContact CB-OD2 3.03Å; H40-D61 IonicContact CE1-OD1 3.91Å; H40-D61 IonicContact CG-OD1 2.67Å; H40-D61 IonicContact CG-OD2 3.04Å; H40-D61 VanDerWaalsContact ND1-CG 3.34Å; H40-D61 IonicContact ND1-OD1 2.8Å; H40-D61 PolarHBondContact ND1-OD1 3.08Å; H40-D61 IonicContact ND1-OD2 2.77Å; H40-D61 PolarHBondContact ND1-OD2 2.86Å; Y41-D61 PolarHBondContact N-OD2 3.48Å; G59-D61 PolarHBondContact O-N 2.85Å; D61-V63 WeakPolarHBondContact O-CG2 3.37Å; D61-V63 PolarHBondContact O-N 2.86Å; D61-V63 PolarHBondContact OD1-N 3.4Å
62	Q	97.9	Very high	96.7	Very high	82 Å²	82	30 Å²	30	38%	0.383	16%	0.16	S	C	.	.	S	Bend	trans	72.7	7.6	173	-39.6	171.1	18.5	0	0	113.5	G59 S60 H81 N82 R83	G59-Q62 PolarHBondContact O-N 3.44Å; S60-Q62 PolarHBondContact O-N 2.89Å; Q62-H81 PolarHBondContact OE1-O 2.88Å; Q62-N82 VanDerWaalsContact OE1-C 3.29Å; Q62-N82 PolarHBondContact OE1-O 2.85Å; Q62-R83 WeakPolarHBondContact CB-O 3.38Å
63	V	97.5	Very high	97	Very high	20 Å²	20	30.2 Å²	30.2	12%	0.121	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	148.2	-176.9	-173.8	0	0	0	0	110	H40 D61 V65 S77 F78 Q79	H40-V63 PolarHBondContact CE1-O 3.23Å; D61-V63 WeakPolarHBondContact O-CG2 3.37Å; D61-V63 PolarHBondContact O-N 2.86Å; D61-V63 PolarHBondContact OD1-N 3.4Å; V63-V65 HydrophobicContact CB-CG2 4.42Å; V63-V65 HydrophobicContact CG1-CG2 3.65Å; V63-S77 WeakPolarHBondContact CG1-OG 3.17Å; V63-F78 WeakPolarHBondContact CG1-O 3.37Å; V63-Q79 HydrophobicContact CG2-CG 4.29Å
64	V	98.7	Very high	97.1	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	126.9	163.8	-179.6	0	0	0	0	108.1	V56 S57 S77 F78 V85 V88 I97 S99	V56-V64 HydrophobicContact CG1-CG1 3.51Å; S57-V64 CarbonylContact O-C 3.6Å; S57-V64 WeakPolarHBondContact O-CA 3.09Å; V64-S77 CarbonylContact O-C 3.57Å; V64-S77 WeakPolarHBondContact O-CA 3.21Å; V64-F78 HydrophobicContact CB-CB 4.18Å; V64-F78 HydrophobicContact CB-CD2 4.13Å; V64-F78 HydrophobicContact CG1-CD2 4.07Å; V64-F78 PolarHBondContact N-O 2.87Å; V64-F78 VanDerWaalsContact N-O 3.09Å; V64-F78 PolarHBondContact O-N 2.87Å; V64-V85 HydrophobicContact CG2-CG1 4.27Å; V64-V85 HydrophobicContact CG2-CG2 3.99Å; V64-V88 HydrophobicContact CG1-CG1 4.07Å; V64-V88 HydrophobicContact CG2-CG1 4.33Å; V64-I97 HydrophobicContact CG1-CG2 4.09Å; V64-S99 VanDerWaalsContact CG2-CB 3.43Å
65	V	98.5	Very high	97.1	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	134.7	-174	176.2	0	0	0	0	110.5	A39 V56 S57 V63 Y67 M74	A39-V65 HydrophobicContact CB-CG1 4.14Å; A39-V65 WeakPolarHBondContact O-CG2 3.47Å; V56-V65 CarbonylContact C-O 3.58Å; V56-V65 VanDerWaalsContact CA-O 3.23Å; V56-V65 WeakPolarHBondContact CA-O 3.47Å; S57-V65 PolarHBondContact N-O 2.88Å; S57-V65 PolarHBondContact O-N 2.81Å; V63-V65 HydrophobicContact CB-CG2 4.42Å; V63-V65 HydrophobicContact CG1-CG2 3.65Å; V65-Y67 HydrophobicContact CG1-CD2 4.49Å; V65-M74 HydrophobicContact CG1-CG 3.79Å; V65-M74 HydrophobicContact CG1-SD 4.06Å
66	V	98.3	Very high	97.1	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	124	166.5	-177.2	0	0	0	0	107.8	L50 L54 C55 V56 C75 Q76 F78 I97 L111	L50-V66 HydrophobicContact CD2-CG1 3.98Å; L54-V66 HydrophobicContact CB-CG1 4.42Å; L54-V66 HydrophobicContact CD1-CG1 4.36Å; C55-V66 WeakPolarHBondContact O-CA 3.37Å; V56-V66 HydrophobicContact CG2-CG2 3.89Å; V66-C75 HydrophobicContact CB-CB 4.4Å; V66-C75 HydrophobicContact CG1-CB 4.15Å; V66-C75 PolarHBondContact O-N 3.35Å; V66-Q76 HydrophobicContact CB-CB 4.31Å; V66-Q76 HydrophobicContact CG2-CB 4.48Å; V66-Q76 PolarHBondContact N-O 3.09Å; V66-Q76 PolarHBondContact O-N 2.84Å; V66-F78 HydrophobicContact CG2-CE2 3.72Å; V66-F78 HydrophobicContact CG2-CZ 4.47Å; V66-I97 HydrophobicContact CG2-CD1 3.64Å; V66-L111 HydrophobicContact CB-CD2 4.2Å; V66-L111 HydrophobicContact CG1-CD2 4.25Å; V66-L111 HydrophobicContact CG2-CD2 3.33Å
67	Y	98.3	Very high	97	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	131.5	-172.8	-160.3	-81	0	0	0	110.5	Y36 E37 A39 L54 C55 V65 W69 G72 M74 F360	Y36-Y67 WeakPolarHBondContact CB-OH 3.43Å; E37-Y67 WeakPolarHBondContact O-CE2 3.15Å; E37-Y67 PolarHBondContact O-OH 3.29Å; A39-Y67 HydrophobicContact CB-CD2 3.69Å; A39-Y67 HydrophobicContact CB-CE2 4.12Å; A39-Y67 HydrophobicContact CB-CG 4.41Å; L54-Y67 WeakPolarHBondContact CA-O 3.11Å; C55-Y67 PolarHBondContact N-O 3.11Å; C55-Y67 PolarHBondContact O-N 3Å; V65-Y67 HydrophobicContact CG1-CD2 4.49Å; Y67-W69 HydrophobicContact CD1-CB 4.28Å; Y67-W69 PolarHBondContact O-N 3.4Å; Y67-G72 PolarHBondContact OH-O 2.81Å; Y67-M74 HydrophobicContact CD2-CB 4.11Å; Y67-M74 HydrophobicContact CE2-CB 4.29Å; Y67-F360 AromaticContact CD1-CD2 3.33Å; Y67-F360 HydrophobicContact CD1-CD2 3.33Å; Y67-F360 AromaticContact CD1-CE2 3.54Å; Y67-F360 HydrophobicContact CD1-CE2 3.54Å; Y67-F360 HydrophobicContact CD1-CG 4.12Å; Y67-F360 HydrophobicContact CD1-CZ 4.48Å; Y67-F360 HydrophobicContact CD2-CD2 4.2Å; Y67-F360 HydrophobicContact CE1-CB 3.8Å; Y67-F360 HydrophobicContact CE1-CD1 4.46Å; Y67-F360 AromaticContact CE1-CD2 3.33Å; Y67-F360 HydrophobicContact CE1-CD2 3.33Å; Y67-F360 AromaticContact CE1-CE2 3.94Å; Y67-F360 HydrophobicContact CE1-CE2 3.94Å; Y67-F360 AromaticContact CE1-CG 3.64Å; Y67-F360 HydrophobicContact CE1-CG 3.64Å; Y67-F360 HydrophobicContact CE2-CB 4.3Å; Y67-F360 HydrophobicContact CE2-CD2 4.17Å; Y67-F360 AromaticContact CG-CD2 3.8Å; Y67-F360 HydrophobicContact CG-CD2 3.8Å; Y67-F360 HydrophobicContact CG-CE2 4.06Å; Y67-F360 AromaticContact CZ-CD2 3.76Å; Y67-F360 AromaticContact CZ-CG 3.95Å; Y67-F360 WeakPolarHBondContact OH-CB 3.47Å
68	D	97.4	Very high	97	Very high	9 Å²	9	36.7 Å²	36.7	5%	0.048	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	97.4	167.5	-177.2	-26	0	0	0	108.5	D53 L54 K70 Q71 G72 Q73	D53-D68 WeakPolarHBondContact O-CA 3.49Å; L54-D68 HydrophobicContact CD2-CB 3.63Å; D68-K70 PolarHBondContact O-N 3.35Å; D68-K70 PolarHBondContact OD1-N 3.22Å; D68-K70 VanDerWaalsContact OD1-N 3.08Å; D68-Q71 HydrophobicContact CB-CB 4.39Å; D68-Q71 PolarHBondContact O-N 2.93Å; D68-Q71 PolarHBondContact OD1-N 3.37Å; D68-Q71 VanDerWaalsContact OD2-CG 3.32Å; D68-Q71 WeakPolarHBondContact OD2-CG 3.41Å; D68-Q71 PolarHBondContact OD2-NE2 2.88Å; D68-G72 WeakPolarHBondContact O-CA 3.34Å; D68-G72 PolarHBondContact O-N 2.79Å; D68-Q73 HydrophobicContact CB-CG 3.83Å; D68-Q73 PolarHBondContact N-O 3.37Å; D68-Q73 PolarHBondContact O-N 2.74Å; D68-Q73 VanDerWaalsContact O-N 3.17Å
69	W	94.9	Very high	96.9	Very high	6 Å²	6	43.1 Å²	43.1	2%	0.023	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-14.4	-173.5	59.1	-95.8	0	0	0	112.9	P52 D53 Y67 T313 L319 H329 F360	P52-W69 WeakPolarHBondContact O-CZ2 3.2Å; D53-W69 PolarHBondContact O-N 2.83Å; D53-W69 PolarHBondContact O-NE1 3.06Å; Y67-W69 HydrophobicContact CD1-CB 4.28Å; Y67-W69 PolarHBondContact O-N 3.4Å; W69-T313 HydrophobicContact CZ2-CG2 3.87Å; W69-T313 WeakPolarHBondContact CZ2-OG1 3.47Å; W69-L319 HydrophobicContact CB-CD1 4.5Å; W69-L319 HydrophobicContact CB-CD2 4.4Å; W69-L319 HydrophobicContact CD2-CD1 4.47Å; W69-L319 HydrophobicContact CD2-CD2 4.24Å; W69-L319 HydrophobicContact CG-CD1 3.99Å; W69-L319 HydrophobicContact CG-CD2 4.21Å; W69-H329 AromaticContact CE3-CE1 3.96Å; W69-H329 AromaticContact CE3-ND1 3.89Å; W69-H329 AromaticContact CZ3-CE1 3.39Å; W69-H329 WeakPolarHBondContact CZ3-CE1 3.27Å; W69-H329 AromaticContact CZ3-ND1 3.79Å; W69-H329 AromaticContact CZ3-NE2 3.54Å; W69-F360 HydrophobicContact CB-CE1 3.76Å; W69-F360 HydrophobicContact CB-CE2 3.79Å; W69-F360 HydrophobicContact CB-CZ 3.25Å; W69-F360 HydrophobicContact CG-CZ 4.33Å
70	K	93.1	Very high	97	Very high	95 Å²	95	44.9 Å²	44.9	41%	0.413	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-39	174.2	-69.9	-168.7	-175.9	168.2	0	111.7	Y36 P52 D53 D68	Y36-K70 PolarHBondContact OH-O 3.24Å; P52-K70 VanDerWaalsContact O-CE 3.25Å; P52-K70 WeakPolarHBondContact O-CE 3.29Å; P52-K70 PolarHBondContact O-NZ 3.23Å; D53-K70 HydrophobicContact CB-CD 4.24Å; D53-K70 WeakPolarHBondContact OD1-CD 3.44Å; D53-K70 WeakPolarHBondContact OD1-CE 3.44Å; D53-K70 IonicContact OD1-NZ 3.57Å; D53-K70 PolarHBondContact OD1-NZ 3.48Å; D68-K70 PolarHBondContact O-N 3.35Å; D68-K70 PolarHBondContact OD1-N 3.22Å; D68-K70 VanDerWaalsContact OD1-N 3.08Å
71	Q	94.6	Very high	97	Very high	127 Å²	127	43.7 Å²	43.7	59%	0.593	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-15.7	179.1	-62.9	-175.7	50.9	0	0	113.1	D68 Q73	D68-Q71 HydrophobicContact CB-CB 4.39Å; D68-Q71 PolarHBondContact O-N 2.93Å; D68-Q71 PolarHBondContact OD1-N 3.37Å; D68-Q71 VanDerWaalsContact OD2-CG 3.32Å; D68-Q71 WeakPolarHBondContact OD2-CG 3.41Å; D68-Q71 PolarHBondContact OD2-NE2 2.88Å; Q71-Q73 HydrophobicContact CB-CG 4.04Å
72	G	95.3	Very high	97.1	Very high	14 Å²	14	47.6 Å²	47.6	14%	0.144	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	75	39.3	179	0	0	0	0	0	113.1	Y36 Y67 D68	Y36-G72 VanDerWaalsContact CD2-CA 3.41Å; Y67-G72 PolarHBondContact OH-O 2.81Å; D68-G72 WeakPolarHBondContact O-CA 3.34Å; D68-G72 PolarHBondContact O-N 2.79Å
73	Q	96.3	Very high	97.1	Very high	90 Å²	90	51 Å²	51	42%	0.421	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	137.8	-175.6	65	-173.4	-6.1	0	0	112.2	D68 Q71 C75	D68-Q73 HydrophobicContact CB-CG 3.83Å; D68-Q73 PolarHBondContact N-O 3.37Å; D68-Q73 PolarHBondContact O-N 2.74Å; D68-Q73 VanDerWaalsContact O-N 3.17Å; Q71-Q73 HydrophobicContact CB-CG 4.04Å; Q73-C75 PolarHBondContact O-N 3.17Å
74	M	97.2	Very high	97.1	Very high	108 Å²	108	52.8 Å²	52.8	53%	0.532	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	123.7	168.2	-176.8	176.3	74.4	0	0	109.4	V65 Y67	V65-M74 HydrophobicContact CG1-CG 3.79Å; V65-M74 HydrophobicContact CG1-SD 4.06Å; Y67-M74 HydrophobicContact CD2-CB 4.11Å; Y67-M74 HydrophobicContact CE2-CB 4.29Å
75	C	96.5	Very high	97.1	Very high	65 Å²	65	52.8 Å²	52.8	44%	0.439	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-45.4	178.8	-59.5	0	0	0	0	111.8	V66 Q73	V66-C75 HydrophobicContact CB-CB 4.4Å; V66-C75 HydrophobicContact CG1-CB 4.15Å; V66-C75 PolarHBondContact O-N 3.35Å; Q73-C75 PolarHBondContact O-N 3.17Å
76	Q	97.3	Very high	97.2	Very high	38 Å²	38	53.6 Å²	53.6	18%	0.178	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	151.6	-175.4	-163.5	163.9	-13.9	0	0	111	V66 F78 L111 G114 D115	V66-Q76 HydrophobicContact CB-CB 4.31Å; V66-Q76 HydrophobicContact CG2-CB 4.48Å; V66-Q76 PolarHBondContact N-O 3.09Å; V66-Q76 PolarHBondContact O-N 2.84Å; Q76-F78 HydrophobicContact CG-CE1 4.17Å; Q76-F78 HydrophobicContact CG-CE2 4.43Å; Q76-F78 HydrophobicContact CG-CZ 3.99Å; Q76-L111 PolarHBondContact OE1-O 2.69Å; Q76-G114 PolarHBondContact NE2-O 2.7Å; Q76-G114 VanDerWaalsContact NE2-O 3.08Å; Q76-D115 WeakPolarHBondContact CG-OD1 3.13Å; Q76-D115 PolarHBondContact NE2-OD1 3.29Å
77	S	97.3	Very high	97.2	Very high	31 Å²	31	55 Å²	55	22%	0.217	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	119.9	-179.1	155.3	0	0	0	0	109.2	V63 V64	V63-S77 WeakPolarHBondContact CG1-OG 3.17Å; V64-S77 CarbonylContact O-C 3.57Å; V64-S77 WeakPolarHBondContact O-CA 3.21Å
78	F	98.3	Very high	97.2	Very high	1 Å²	1	55.4 Å²	55.4	0%	0.004	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	129.1	178.7	-53	-80.6	0	0	0	111.1	V63 V64 V66 Q76 I97 W109 L111 G114 D115	V63-F78 WeakPolarHBondContact CG1-O 3.37Å; V64-F78 HydrophobicContact CB-CB 4.18Å; V64-F78 HydrophobicContact CB-CD2 4.13Å; V64-F78 HydrophobicContact CG1-CD2 4.07Å; V64-F78 PolarHBondContact N-O 2.87Å; V64-F78 VanDerWaalsContact N-O 3.09Å; V64-F78 PolarHBondContact O-N 2.87Å; V66-F78 HydrophobicContact CG2-CE2 3.72Å; V66-F78 HydrophobicContact CG2-CZ 4.47Å; Q76-F78 HydrophobicContact CG-CE1 4.17Å; Q76-F78 HydrophobicContact CG-CE2 4.43Å; Q76-F78 HydrophobicContact CG-CZ 3.99Å; F78-I97 HydrophobicContact CE2-CD1 3.77Å; F78-I97 HydrophobicContact CZ-CD1 4.25Å; F78-W109 HydrophobicContact CB-CD2 3.78Å; F78-W109 HydrophobicContact CB-CE3 3.59Å; F78-W109 HydrophobicContact CB-CG 4.47Å; F78-W109 HydrophobicContact CB-CH2 3.92Å; F78-W109 HydrophobicContact CB-CZ2 4.13Å; F78-W109 HydrophobicContact CB-CZ3 3.65Å; F78-W109 HydrophobicContact CD1-CB 4.06Å; F78-W109 AromaticContact CD1-CD2 3.98Å; F78-W109 HydrophobicContact CD1-CD2 3.98Å; F78-W109 AromaticContact CD1-CE3 3.6Å; F78-W109 HydrophobicContact CD1-CE3 3.6Å; F78-W109 HydrophobicContact CD1-CG 4.19Å; F78-W109 HydrophobicContact CD1-CZ3 4.31Å; F78-W109 HydrophobicContact CD2-CG 4.4Å; F78-W109 HydrophobicContact CE1-CB 3.97Å; F78-W109 HydrophobicContact CE2-CB 4.45Å; F78-W109 HydrophobicContact CG-CB 4.36Å; F78-W109 AromaticContact CG-CD2 3.87Å; F78-W109 HydrophobicContact CG-CD2 3.87Å; F78-W109 AromaticContact CG-CE3 3.81Å; F78-W109 HydrophobicContact CG-CE3 3.81Å; F78-W109 HydrophobicContact CG-CG 4.11Å; F78-W109 HydrophobicContact CG-CZ3 4.35Å; F78-W109 HydrophobicContact CZ-CB 4.17Å; F78-L111 HydrophobicContact CE2-CD2 4.07Å; F78-L111 HydrophobicContact CZ-CD2 3.72Å; F78-L111 HydrophobicContact CZ-CG 4.49Å; F78-G114 WeakPolarHBondContact CE1-O 3.33Å; F78-D115 HydrophobicContact CD1-CB 4.49Å
79	Q	96.8	Very high	97.2	Very high	136 Å²	136	56.8 Å²	56.8	64%	0.636	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.8	174.6	-62.6	-172.4	12.2	0	0	109.3	V63	V63-Q79 HydrophobicContact CG2-CG 4.29Å
80	G	97.4	Very high	97.3	Very high	37 Å²	37	57.1 Å²	57.1	38%	0.381	29%	0.291	S	S	.	.			trans	172.4	-27.8	177.9	0	0	0	0	0	113.5
81	H	98.5	Very high	97.5	Very high	7 Å²	7	55.3 Å²	55.3	3%	0.032	28%	0.282	C	S	.	.			trans	-68	143.6	168.8	-79.4	-57.1	0	0	0	111.6	Q62 V85 S99 S101 D103	Q62-H81 PolarHBondContact OE1-O 2.88Å; H81-V85 HydrophobicContact CB-CG2 4.48Å; H81-S99 PolarHBondContact CD2-OG 3.02Å; H81-S99 WeakPolarHBondContact NE2-CB 3.29Å; H81-S99 PolarHBondContact NE2-O 3.42Å; H81-S99 VanDerWaalsContact NE2-O 3.11Å; H81-S99 PolarHBondContact NE2-OG 2.9Å; H81-S101 WeakPolarHBondContact CE1-CB 3.38Å; H81-S101 WeakPolarHBondContact ND1-CB 3.49Å; H81-D103 VanDerWaalsContact CA-OD2 3.24Å; H81-D103 WeakPolarHBondContact CA-OD2 3.4Å; H81-D103 WeakPolarHBondContact CB-OD2 3.46Å; H81-D103 IonicContact CE1-OD1 3.53Å; H81-D103 IonicContact CE1-OD2 3.76Å; H81-D103 IonicContact CG-OD2 3.7Å; H81-D103 IonicContact ND1-OD1 2.96Å; H81-D103 PolarHBondContact ND1-OD1 2.93Å; H81-D103 IonicContact ND1-OD2 3.46Å; H81-D103 PolarHBondContact ND1-OD2 2.84Å
82	N	98.2	Very high	97.3	Very high	129 Å²	129	54.5 Å²	54.5	69%	0.69	29%	0.288	S	S	*	.	S	Bend	trans	-99.5	0.3	-179.5	-69.8	-58.8	0	0	0	113.1	Q62 D103	Q62-N82 VanDerWaalsContact OE1-C 3.29Å; Q62-N82 PolarHBondContact OE1-O 2.85Å; N82-D103 HydrophobicContact CB-CB 4.29Å; N82-D103 PolarHBondContact N-OD2 2.85Å
83	R	98.6	Very high	97.1	Very high	154 Å²	154	58.1 Å²	58.1	58%	0.581	33%	0.326	S	S	*	.	S	Bend	trans	-150	175.4	177.2	-61	-171.9	176.6	-84	-2.1	109.2	Q62 V85 S101 R102 D103	Q62-R83 WeakPolarHBondContact CB-O 3.38Å; R83-V85 PolarHBondContact O-N 2.63Å; R83-S101 PolarHBondContact O-OG 2.96Å; R83-S101 VanDerWaalsContact O-OG 3.13Å; R83-R102 HydrophobicContact CB-CB 3.73Å; R83-R102 WeakPolarHBondContact CD-O 3.4Å; R83-D103 HydrophobicContact CB-CB 4.06Å; R83-D103 HydrophobicContact CG-CB 4.07Å
84	E	98.4	Very high	97	Very high	57 Å²	57	55.6 Å²	55.6	27%	0.266	32%	0.318	S	S	.	.			trans	-50.3	133.6	-177.2	-48.7	177.6	-178	0	0	112.5	T86 S101 R102	E84-T86 PolarHBondContact O-N 3.48Å; E84-S101 WeakPolarHBondContact O-CA 3.45Å; E84-S101 PolarHBondContact O-OG 2.91Å; E84-S101 VanDerWaalsContact O-OG 3.12Å; E84-R102 HydrophobicContact CB-CG 4.24Å; E84-R102 PolarHBondContact O-N 3.04Å; E84-R102 IonicContact OE2-CZ 2.82Å; E84-R102 VanDerWaalsContact OE2-CZ 3.3Å; E84-R102 IonicContact OE2-NE 2.69Å; E84-R102 PolarHBondContact OE2-NE 3.46Å; E84-R102 IonicContact OE2-NH2 2.99Å; E84-R102 PolarHBondContact OE2-NH2 2.83Å
85	V	98.8	Very high	96.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	125.6	169.7	-178.8	0	0	0	0	108.1	N45 T46 G59 V64 H81 R83 V88 A100	N45-V85 WeakPolarHBondContact CB-O 3.44Å; N45-V85 PolarHBondContact ND2-O 3.33Å; T46-V85 HydrophobicContact CG2-CG1 4.39Å; G59-V85 PolarHBondContact O-N 3.1Å; V64-V85 HydrophobicContact CG2-CG1 4.27Å; V64-V85 HydrophobicContact CG2-CG2 3.99Å; H81-V85 HydrophobicContact CB-CG2 4.48Å; R83-V85 PolarHBondContact O-N 2.63Å; V85-V88 HydrophobicContact CG1-CG1 3.82Å; V85-A100 CarbonylContact C-O 3.55Å; V85-A100 WeakPolarHBondContact CA-O 3.39Å; V85-A100 WeakPolarHBondContact CG1-O 3.49Å
86	T	98.8	Very high	96.9	Very high	19 Å²	19	53 Å²	53	12%	0.117	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-29	-176.1	54	0	0	0	0	112.6	E84 A100 S101 R102 V127 V128	E84-T86 PolarHBondContact O-N 3.48Å; T86-A100 PolarHBondContact N-O 3.29Å; T86-A100 VanDerWaalsContact OG1-C 3.23Å; T86-A100 PolarHBondContact OG1-O 3.31Å; T86-S101 PolarHBondContact OG1-N 2.71Å; T86-R102 HydrophobicContact CG2-CG 3.7Å; T86-V127 HydrophobicContact CG2-CG1 3.77Å; T86-V128 WeakPolarHBondContact CB-O 3.38Å; T86-V128 PolarHBondContact OG1-O 3.44Å
87	K	98.6	Very high	97	Very high	32 Å²	32	51.2 Å²	51.2	14%	0.139	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	149.3	177.1	-129.1	101.9	175.6	-172.7	0	111.5	S99 A100 N129 I131 T171 H172	K87-S99 CarbonylContact O-C 3.57Å; K87-S99 VanDerWaalsContact O-CA 3.31Å; K87-S99 WeakPolarHBondContact O-CA 3.38Å; K87-A100 HydrophobicContact CB-CB 4.13Å; K87-A100 PolarHBondContact N-O 2.87Å; K87-A100 PolarHBondContact O-N 3.14Å; K87-N129 WeakPolarHBondContact CD-O 3.29Å; K87-N129 WeakPolarHBondContact CE-O 3.27Å; K87-N129 PolarHBondContact NZ-O 2.97Å; K87-I131 HydrophobicContact CB-CD1 3.95Å; K87-I131 HydrophobicContact CB-CG1 3.96Å; K87-I131 HydrophobicContact CG-CG1 4.19Å; K87-T171 PolarHBondContact NZ-O 3.38Å; K87-H172 WeakPolarHBondContact CE-CD2 3.47Å; K87-H172 WeakPolarHBondContact CE-NE2 3.5Å; K87-H172 PolarHBondContact NZ-CD2 3.28Å
88	V	98.8	Very high	97.1	Very high	8 Å²	8	49.7 Å²	49.7	5%	0.048	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	151.3	166.6	-62.7	0	0	0	0	109.9	T46 T48 V56 V64 V85 F98	T46-V88 HydrophobicContact CG2-CB 4.22Å; T46-V88 HydrophobicContact CG2-CG1 3.9Å; T46-V88 HydrophobicContact CG2-CG2 3.74Å; T46-V88 PolarHBondContact OG1-N 2.86Å; T48-V88 HydrophobicContact CG2-CB 4.49Å; T48-V88 HydrophobicContact CG2-CG2 3.85Å; V56-V88 HydrophobicContact CG1-CB 4.04Å; V56-V88 HydrophobicContact CG1-CG1 4.24Å; V56-V88 HydrophobicContact CG1-CG2 4.13Å; V56-V88 WeakPolarHBondContact O-CG2 3.41Å; V64-V88 HydrophobicContact CG1-CG1 4.07Å; V64-V88 HydrophobicContact CG2-CG1 4.33Å; V85-V88 HydrophobicContact CG1-CG1 3.82Å; V88-F98 CarbonylContact C-O 3.45Å; V88-F98 VanDerWaalsContact CA-O 3.25Å; V88-F98 WeakPolarHBondContact CA-O 3.42Å
89	L	97.5	Very high	97.1	Very high	39 Å²	39	49.7 Å²	49.7	20%	0.204	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	144.5	179.6	171.2	73.2	0	0	0	109	F98 I131 I133	L89-F98 PolarHBondContact N-O 3Å; L89-F98 PolarHBondContact O-N 3.11Å; L89-I131 HydrophobicContact CB-CD1 3.64Å; L89-I131 HydrophobicContact CB-CG1 3.96Å; L89-I131 HydrophobicContact CD2-CG1 4.32Å; L89-I133 HydrophobicContact CD2-CB 4.1Å; L89-I133 HydrophobicContact CD2-CD1 3.33Å; L89-I133 HydrophobicContact CD2-CG1 3.4Å; L89-I133 VanDerWaalsContact CD2-CG1 3.4Å; L89-I133 HydrophobicContact CG-CD1 3.74Å; L89-I133 HydrophobicContact CG-CG1 4.36Å
90	C	97.4	Very high	97.2	Very high	12 Å²	12	43.2 Å²	43.2	8%	0.081	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	147.9	171.3	-59.4	0	0	0	0	110.1	L50 W96	L50-C90 HydrophobicContact CD1-CB 3.91Å; C90-W96 WeakPolarHBondContact CA-O 3.38Å
91	Y	96.3	Very high	97.3	Very high	57 Å²	57	41.4 Å²	41.4	22%	0.224	23%	0.23	C	C	.	.			trans	-86.4	122.1	167.1	-176.8	-114.8	0	0	0	109.8	G93 S94 W96 I133 P135 G137	Y91-G93 PolarHBondContact O-N 2.84Å; Y91-S94 WeakPolarHBondContact CB-OG 3.38Å; Y91-S94 WeakPolarHBondContact CD1-OG 3.33Å; Y91-S94 PolarHBondContact O-N 2.92Å; Y91-S94 PolarHBondContact O-OG 2.93Å; Y91-W96 HydrophobicContact CD1-CE3 4.49Å; Y91-W96 PolarHBondContact N-O 3.25Å; Y91-W96 VanDerWaalsContact N-O 3.16Å; Y91-I133 HydrophobicContact CD2-CB 4.43Å; Y91-I133 HydrophobicContact CD2-CG2 3.57Å; Y91-I133 HydrophobicContact CE2-CG2 4.06Å; Y91-I133 HydrophobicContact CG-CG2 4.45Å; Y91-P135 PolarHBondContact OH-O 3.14Å; Y91-G137 VanDerWaalsContact CZ-CA 3.44Å; Y91-G137 PolarHBondContact OH-N 2.96Å
92	P	91.3	Very high	97.3	Very high	110 Å²	110	46.8 Å²	46.8	71%	0.714	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	129.4	-174.1	-26.7	35.3	0	0	0	113.1	S94	P92-S94 VanDerWaalsContact C-N 3.29Å; P92-S94 PolarHBondContact O-N 2.86Å
93	G	89.8	Confident	97.3	Very high	91 Å²	91	41.9 Å²	41.9	94%	0.938	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.4	7	178.1	0	0	0	0	0	115.1	Y91	Y91-G93 PolarHBondContact O-N 2.84Å
94	S	94.4	Very high	97.3	Very high	36 Å²	36	38.4 Å²	38.4	25%	0.252	21%	0.213	S	C	.	.	S	Bend	trans	-117.5	-179.7	170.1	84.2	0	0	0	0	112.2	Y91 P92 W96	Y91-S94 WeakPolarHBondContact CB-OG 3.38Å; Y91-S94 WeakPolarHBondContact CD1-OG 3.33Å; Y91-S94 PolarHBondContact O-N 2.92Å; Y91-S94 PolarHBondContact O-OG 2.93Å; P92-S94 VanDerWaalsContact C-N 3.29Å; P92-S94 PolarHBondContact O-N 2.86Å; S94-W96 WeakPolarHBondContact OG-CB 3.41Å; S94-W96 PolarHBondContact OG-N 3.41Å
95	T	95.6	Very high	97.3	Very high	37 Å²	37	36.6 Å²	36.6	23%	0.227	21%	0.205	C	C	.	.	S	Bend	trans	-96	8.9	172.7	51	0	0	0	0	113.4	D110 L111 N112	T95-D110 WeakPolarHBondContact CB-OD1 3.38Å; T95-D110 WeakPolarHBondContact O-CA 3.38Å; T95-D110 PolarHBondContact OG1-OD1 2.94Å; T95-L111 HydrophobicContact CG2-CB 4.33Å; T95-L111 PolarHBondContact O-N 3.38Å; T95-N112 WeakPolarHBondContact CG2-ND2 3.38Å
96	W	97.8	Very high	97.4	Very high	82 Å²	82	36.6 Å²	36.6	31%	0.311	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	129.1	-174.3	-62.6	-12.3	0	0	0	111.9	C90 Y91 S94 F98 M108 W109 I154	C90-W96 WeakPolarHBondContact CA-O 3.38Å; Y91-W96 HydrophobicContact CD1-CE3 4.49Å; Y91-W96 PolarHBondContact N-O 3.25Å; Y91-W96 VanDerWaalsContact N-O 3.16Å; S94-W96 WeakPolarHBondContact OG-CB 3.41Å; S94-W96 PolarHBondContact OG-N 3.41Å; W96-F98 HydrophobicContact CB-CE2 3.98Å; W96-M108 HydrophobicContact CB-CE 3.97Å; W96-M108 HydrophobicContact CD2-CE 3.14Å; W96-M108 VanDerWaalsContact CE2-CE 3.44Å; W96-M108 HydrophobicContact CE3-CE 3.43Å; W96-M108 VanDerWaalsContact CE3-CE 3.43Å; W96-M108 HydrophobicContact CG-CE 3.41Å; W96-M108 VanDerWaalsContact CG-CE 3.41Å; W96-M108 HydrophobicContact CH2-CE 4.2Å; W96-M108 HydrophobicContact CZ2-CE 3.98Å; W96-M108 HydrophobicContact CZ3-CE 3.96Å; W96-W109 WeakPolarHBondContact CA-O 3.22Å; W96-I154 HydrophobicContact CZ3-CG2 4.06Å
97	I	98.7	Very high	97.4	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	140.1	176.3	-61.8	168.7	0	0	0	107.8	V56 V64 V66 F78 M108 W109 L111	V56-I97 HydrophobicContact CG1-CD1 4.42Å; V56-I97 HydrophobicContact CG1-CG2 3.79Å; V56-I97 HydrophobicContact CG2-CD1 3.66Å; V56-I97 HydrophobicContact CG2-CG1 4.09Å; V64-I97 HydrophobicContact CG1-CG2 4.09Å; V66-I97 HydrophobicContact CG2-CD1 3.64Å; F78-I97 HydrophobicContact CE2-CD1 3.77Å; F78-I97 HydrophobicContact CZ-CD1 4.25Å; I97-M108 CarbonylContact O-C 3.59Å; I97-M108 WeakPolarHBondContact O-CA 3.48Å; I97-W109 HydrophobicContact CB-CB 4.24Å; I97-W109 PolarHBondContact N-O 2.95Å; I97-W109 PolarHBondContact O-N 3.36Å; I97-L111 HydrophobicContact CD1-CD1 4.01Å; I97-L111 HydrophobicContact CD1-CD2 3.61Å; I97-L111 HydrophobicContact CD1-CG 3.7Å; I97-L111 HydrophobicContact CG1-CG 4.48Å
98	F	98.8	Very high	97.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	138.3	174.9	-64.8	-101.2	0	0	0	109.1	V88 L89 W96 V106 L107 M108 F121 I131 I133 L140 I154	V88-F98 CarbonylContact C-O 3.45Å; V88-F98 VanDerWaalsContact CA-O 3.25Å; V88-F98 WeakPolarHBondContact CA-O 3.42Å; L89-F98 PolarHBondContact N-O 3Å; L89-F98 PolarHBondContact O-N 3.11Å; W96-F98 HydrophobicContact CB-CE2 3.98Å; F98-V106 HydrophobicContact CB-CG1 4.49Å; F98-L107 CarbonylContact C-O 3.55Å; F98-L107 VanDerWaalsContact CA-O 3.3Å; F98-L107 WeakPolarHBondContact CA-O 3.42Å; F98-M108 HydrophobicContact CD1-CB 4.07Å; F98-M108 HydrophobicContact CD1-CG 4.11Å; F98-M108 HydrophobicContact CE1-CB 3.92Å; F98-M108 HydrophobicContact CE1-CE 4.45Å; F98-M108 HydrophobicContact CE1-CG 3.63Å; F98-M108 HydrophobicContact CE1-SD 3.74Å; F98-M108 HydrophobicContact CE2-CE 4.4Å; F98-M108 HydrophobicContact CE2-CG 4.29Å; F98-M108 HydrophobicContact CZ-CE 3.79Å; F98-M108 HydrophobicContact CZ-CG 3.74Å; F98-M108 HydrophobicContact CZ-SD 3.68Å; F98-F121 HydrophobicContact CD1-CE2 4Å; F98-F121 AromaticContact CE1-CE2 3.85Å; F98-F121 HydrophobicContact CE1-CE2 3.85Å; F98-F121 AromaticContact CE1-CZ 3.99Å; F98-F121 HydrophobicContact CE1-CZ 3.99Å; F98-I131 HydrophobicContact CB-CD1 4.2Å; F98-I133 HydrophobicContact CD2-CD1 3.34Å; F98-I133 HydrophobicContact CD2-CG1 4.18Å; F98-I133 HydrophobicContact CE2-CD1 3.35Å; F98-I133 HydrophobicContact CE2-CG1 4.1Å; F98-I133 HydrophobicContact CG-CD1 4.17Å; F98-I133 HydrophobicContact CZ-CD1 4.19Å; F98-I133 HydrophobicContact CZ-CG1 4.49Å; F98-L140 HydrophobicContact CD1-CD1 4.06Å; F98-L140 HydrophobicContact CD1-CD2 4.07Å; F98-L140 HydrophobicContact CE1-CD1 4.44Å; F98-L140 HydrophobicContact CE1-CD2 4.35Å; F98-L140 HydrophobicContact CG-CD1 4.47Å; F98-I154 HydrophobicContact CE1-CD1 4.38Å; F98-I154 HydrophobicContact CE1-CG1 4.34Å; F98-I154 HydrophobicContact CE1-CG2 4.39Å; F98-I154 HydrophobicContact CZ-CD1 3.97Å; F98-I154 HydrophobicContact CZ-CG1 4.32Å; F98-I154 HydrophobicContact CZ-CG2 4.04Å
99	S	98.9	Very high	97.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129.6	176.9	58.7	0	0	0	0	111.4	V64 H81 K87 V106 L107 W109	V64-S99 VanDerWaalsContact CG2-CB 3.43Å; H81-S99 PolarHBondContact CD2-OG 3.02Å; H81-S99 WeakPolarHBondContact NE2-CB 3.29Å; H81-S99 PolarHBondContact NE2-O 3.42Å; H81-S99 VanDerWaalsContact NE2-O 3.11Å; H81-S99 PolarHBondContact NE2-OG 2.9Å; K87-S99 CarbonylContact O-C 3.57Å; K87-S99 VanDerWaalsContact O-CA 3.31Å; K87-S99 WeakPolarHBondContact O-CA 3.38Å; S99-V106 CarbonylContact O-C 3.59Å; S99-V106 WeakPolarHBondContact O-CA 3.24Å; S99-V106 VanDerWaalsContact O-CG1 3.3Å; S99-V106 WeakPolarHBondContact O-CG1 3.45Å; S99-L107 PolarHBondContact N-O 2.76Å; S99-L107 PolarHBondContact O-N 3.39Å; S99-W109 PolarHBondContact OG-NE1 3.16Å
100	A	98.9	Very high	97.3	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	152.7	171.8	0	0	0	0	0	110.5	V85 T86 K87 V106 V128 I131	V85-A100 CarbonylContact C-O 3.55Å; V85-A100 WeakPolarHBondContact CA-O 3.39Å; V85-A100 WeakPolarHBondContact CG1-O 3.49Å; T86-A100 PolarHBondContact N-O 3.29Å; T86-A100 VanDerWaalsContact OG1-C 3.23Å; T86-A100 PolarHBondContact OG1-O 3.31Å; K87-A100 HydrophobicContact CB-CB 4.13Å; K87-A100 PolarHBondContact N-O 2.87Å; K87-A100 PolarHBondContact O-N 3.14Å; A100-V106 HydrophobicContact CB-CG2 4.01Å; A100-V128 HydrophobicContact CB-CB 3.97Å; A100-V128 HydrophobicContact CB-CG1 3.76Å; A100-I131 HydrophobicContact CB-CD1 4.47Å; A100-I131 HydrophobicContact CB-CG2 3.62Å
101	S	98.9	Very high	97.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	162.9	-173.5	168.5	0	0	0	0	114.4	H81 R83 E84 T86 D103 K104 T105 V128	H81-S101 WeakPolarHBondContact CE1-CB 3.38Å; H81-S101 WeakPolarHBondContact ND1-CB 3.49Å; R83-S101 PolarHBondContact O-OG 2.96Å; R83-S101 VanDerWaalsContact O-OG 3.13Å; E84-S101 WeakPolarHBondContact O-CA 3.45Å; E84-S101 PolarHBondContact O-OG 2.91Å; E84-S101 VanDerWaalsContact O-OG 3.12Å; T86-S101 PolarHBondContact OG1-N 2.71Å; S101-D103 WeakPolarHBondContact CB-OD1 3.43Å; S101-D103 PolarHBondContact O-N 3Å; S101-D103 PolarHBondContact OG-N 3.26Å; S101-D103 PolarHBondContact OG-OD1 3.17Å; S101-D103 VanDerWaalsContact OG-OD1 3.05Å; S101-D103 PolarHBondContact OG-OD2 2.85Å; S101-D103 VanDerWaalsContact OG-OD2 3.11Å; S101-K104 PolarHBondContact O-N 2.54Å; S101-T105 PolarHBondContact N-O 2.9Å; S101-V128 PolarHBondContact O-N 2.96Å
102	R	98.8	Very high	97.3	Very high	120 Å²	120	37.3 Å²	37.3	45%	0.453	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-14.3	167.8	-69.9	-166.5	-174.4	-126.9	7.8	113.7	R83 E84 T86 K104 V127	R83-R102 HydrophobicContact CB-CB 3.73Å; R83-R102 WeakPolarHBondContact CD-O 3.4Å; E84-R102 HydrophobicContact CB-CG 4.24Å; E84-R102 PolarHBondContact O-N 3.04Å; E84-R102 IonicContact OE2-CZ 2.82Å; E84-R102 VanDerWaalsContact OE2-CZ 3.3Å; E84-R102 IonicContact OE2-NE 2.69Å; E84-R102 PolarHBondContact OE2-NE 3.46Å; E84-R102 IonicContact OE2-NH2 2.99Å; E84-R102 PolarHBondContact OE2-NH2 2.83Å; T86-R102 HydrophobicContact CG2-CG 3.7Å; R102-K104 PolarHBondContact O-N 2.84Å; R102-V127 HydrophobicContact CB-CG1 4.42Å; R102-V127 HydrophobicContact CB-CG2 4.14Å; R102-V127 HydrophobicContact CG-CG1 3.85Å; R102-V127 HydrophobicContact CG-CG2 3.99Å
103	D	98.8	Very high	97.4	Very high	25 Å²	25	38.2 Å²	38.2	13%	0.134	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	0.8	173	64.2	16.5	0	0	0	113.4	H81 N82 R83 S101 T105	H81-D103 VanDerWaalsContact CA-OD2 3.24Å; H81-D103 WeakPolarHBondContact CA-OD2 3.4Å; H81-D103 WeakPolarHBondContact CB-OD2 3.46Å; H81-D103 IonicContact CE1-OD1 3.53Å; H81-D103 IonicContact CE1-OD2 3.76Å; H81-D103 IonicContact CG-OD2 3.7Å; H81-D103 IonicContact ND1-OD1 2.96Å; H81-D103 PolarHBondContact ND1-OD1 2.93Å; H81-D103 IonicContact ND1-OD2 3.46Å; H81-D103 PolarHBondContact ND1-OD2 2.84Å; N82-D103 HydrophobicContact CB-CB 4.29Å; N82-D103 PolarHBondContact N-OD2 2.85Å; R83-D103 HydrophobicContact CB-CB 4.06Å; R83-D103 HydrophobicContact CG-CB 4.07Å; S101-D103 WeakPolarHBondContact CB-OD1 3.43Å; S101-D103 PolarHBondContact O-N 3Å; S101-D103 PolarHBondContact OG-N 3.26Å; S101-D103 PolarHBondContact OG-OD1 3.17Å; S101-D103 VanDerWaalsContact OG-OD1 3.05Å; S101-D103 PolarHBondContact OG-OD2 2.85Å; S101-D103 VanDerWaalsContact OG-OD2 3.11Å; D103-T105 VanDerWaalsContact C-N 3.33Å; D103-T105 PolarHBondContact OD1-N 3.11Å; D103-T105 PolarHBondContact OD1-OG1 2.98Å
104	K	98.8	Very high	97.5	Very high	82 Å²	82	35.6 Å²	35.6	36%	0.357	18%	0.18	S	C	.	.	S	Bend	trans	80	9	174.3	-40.2	160	179.1	-158.7	0	114	S101 R102 H124 E125	S101-K104 PolarHBondContact O-N 2.54Å; R102-K104 PolarHBondContact O-N 2.84Å; K104-H124 WeakPolarHBondContact CB-O 3.19Å; K104-H124 WeakPolarHBondContact O-CB 3.43Å; K104-E125 VanDerWaalsContact CD-O 3.29Å; K104-E125 WeakPolarHBondContact CD-O 3.48Å; K104-E125 WeakPolarHBondContact CE-O 3.48Å; K104-E125 PolarHBondContact NZ-O 3.44Å
105	T	98.8	Very high	97.4	Very high	18 Å²	18	37.9 Å²	37.9	11%	0.11	19%	0.19	C	C	.	.			trans	-110.3	164	178.3	73.1	0	0	0	0	111.5	S101 D103	S101-T105 PolarHBondContact N-O 2.9Å; D103-T105 VanDerWaalsContact C-N 3.33Å; D103-T105 PolarHBondContact OD1-N 3.11Å; D103-T105 PolarHBondContact OD1-OG1 2.98Å
106	V	98.9	Very high	97.4	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.4	159.1	-177.3	0	0	0	0	107.7	F98 S99 A100 F121 V128 I131 L140 T142	F98-V106 HydrophobicContact CB-CG1 4.49Å; S99-V106 CarbonylContact O-C 3.59Å; S99-V106 WeakPolarHBondContact O-CA 3.24Å; S99-V106 VanDerWaalsContact O-CG1 3.3Å; S99-V106 WeakPolarHBondContact O-CG1 3.45Å; A100-V106 HydrophobicContact CB-CG2 4.01Å; V106-F121 HydrophobicContact CB-CB 4.14Å; V106-F121 HydrophobicContact CB-CD2 4.03Å; V106-F121 HydrophobicContact CB-CG 4.5Å; V106-F121 HydrophobicContact CG1-CD2 4.09Å; V106-F121 PolarHBondContact N-O 3.44Å; V106-F121 WeakPolarHBondContact O-CD2 3.38Å; V106-F121 PolarHBondContact O-N 3.17Å; V106-V128 HydrophobicContact CG2-CB 4.38Å; V106-V128 HydrophobicContact CG2-CG1 3.78Å; V106-V128 HydrophobicContact CG2-CG2 4.43Å; V106-I131 HydrophobicContact CG1-CG2 4.19Å; V106-I131 HydrophobicContact CG2-CG2 3.89Å; V106-L140 HydrophobicContact CB-CD2 4.44Å; V106-L140 HydrophobicContact CG1-CD2 3.95Å; V106-T142 HydrophobicContact CG2-CG2 3.75Å
107	L	98.9	Very high	97.4	Very high	5 Å²	5	41 Å²	41	3%	0.026	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	146.9	174.7	-63.2	177.8	0	0	0	109.9	F98 S99 W109 P117 E120	F98-L107 CarbonylContact C-O 3.55Å; F98-L107 VanDerWaalsContact CA-O 3.3Å; F98-L107 WeakPolarHBondContact CA-O 3.42Å; S99-L107 PolarHBondContact N-O 2.76Å; S99-L107 PolarHBondContact O-N 3.39Å; L107-W109 HydrophobicContact CB-CH2 4.43Å; L107-W109 HydrophobicContact CB-CZ2 3.66Å; L107-W109 HydrophobicContact CD1-CH2 3.72Å; L107-W109 HydrophobicContact CD1-CZ2 3.51Å; L107-W109 HydrophobicContact CG-CZ2 4.22Å; L107-P117 HydrophobicContact CB-CB 4.34Å; L107-P117 HydrophobicContact CD1-CG 4.06Å; L107-P117 HydrophobicContact CD2-CB 4.11Å; L107-P117 HydrophobicContact CD2-CG 4.27Å; L107-E120 HydrophobicContact CD2-CB 3.73Å; L107-E120 HydrophobicContact CD2-CG 3.64Å
108	M	98.8	Very high	97.4	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.025	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	137.7	170.7	-174	-179.8	176.9	0	0	109.3	W96 I97 F98 P117 I118 Q119 F121 I154	W96-M108 HydrophobicContact CB-CE 3.97Å; W96-M108 HydrophobicContact CD2-CE 3.14Å; W96-M108 VanDerWaalsContact CE2-CE 3.44Å; W96-M108 HydrophobicContact CE3-CE 3.43Å; W96-M108 VanDerWaalsContact CE3-CE 3.43Å; W96-M108 HydrophobicContact CG-CE 3.41Å; W96-M108 VanDerWaalsContact CG-CE 3.41Å; W96-M108 HydrophobicContact CH2-CE 4.2Å; W96-M108 HydrophobicContact CZ2-CE 3.98Å; W96-M108 HydrophobicContact CZ3-CE 3.96Å; I97-M108 CarbonylContact O-C 3.59Å; I97-M108 WeakPolarHBondContact O-CA 3.48Å; F98-M108 HydrophobicContact CD1-CB 4.07Å; F98-M108 HydrophobicContact CD1-CG 4.11Å; F98-M108 HydrophobicContact CE1-CB 3.92Å; F98-M108 HydrophobicContact CE1-CE 4.45Å; F98-M108 HydrophobicContact CE1-CG 3.63Å; F98-M108 HydrophobicContact CE1-SD 3.74Å; F98-M108 HydrophobicContact CE2-CE 4.4Å; F98-M108 HydrophobicContact CE2-CG 4.29Å; F98-M108 HydrophobicContact CZ-CE 3.79Å; F98-M108 HydrophobicContact CZ-CG 3.74Å; F98-M108 HydrophobicContact CZ-SD 3.68Å; M108-P117 CarbonylContact O-C 3.53Å; M108-P117 WeakPolarHBondContact O-CA 3.41Å; M108-I118 HydrophobicContact CB-CG1 4.08Å; M108-I118 HydrophobicContact CE-CD1 3.7Å; M108-I118 HydrophobicContact CG-CD1 3.85Å; M108-I118 HydrophobicContact CG-CG1 3.78Å; M108-I118 WeakPolarHBondContact O-CG1 3.38Å; M108-I118 PolarHBondContact O-N 2.87Å; M108-I118 HydrophobicContact SD-CD1 3.86Å; M108-I118 HydrophobicContact SD-CG1 4.17Å; M108-Q119 HydrophobicContact CB-CB 3.86Å; M108-Q119 PolarHBondContact N-O 3.44Å; M108-Q119 PolarHBondContact O-N 2.9Å; M108-Q119 HydrophobicContact SD-CB 4.19Å; M108-Q119 HydrophobicContact SD-CG 4.02Å; M108-F121 HydrophobicContact CB-CE2 4.09Å; M108-I154 HydrophobicContact CE-CG2 3.9Å; M108-I154 HydrophobicContact SD-CG2 3.83Å
109	W	98.6	Very high	97.4	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	153.9	179.3	-37.8	86.9	0	0	0	108.9	F78 W96 I97 S99 L107 D115 P117	F78-W109 HydrophobicContact CB-CD2 3.78Å; F78-W109 HydrophobicContact CB-CE3 3.59Å; F78-W109 HydrophobicContact CB-CG 4.47Å; F78-W109 HydrophobicContact CB-CH2 3.92Å; F78-W109 HydrophobicContact CB-CZ2 4.13Å; F78-W109 HydrophobicContact CB-CZ3 3.65Å; F78-W109 HydrophobicContact CD1-CB 4.06Å; F78-W109 AromaticContact CD1-CD2 3.98Å; F78-W109 HydrophobicContact CD1-CD2 3.98Å; F78-W109 AromaticContact CD1-CE3 3.6Å; F78-W109 HydrophobicContact CD1-CE3 3.6Å; F78-W109 HydrophobicContact CD1-CG 4.19Å; F78-W109 HydrophobicContact CD1-CZ3 4.31Å; F78-W109 HydrophobicContact CD2-CG 4.4Å; F78-W109 HydrophobicContact CE1-CB 3.97Å; F78-W109 HydrophobicContact CE2-CB 4.45Å; F78-W109 HydrophobicContact CG-CB 4.36Å; F78-W109 AromaticContact CG-CD2 3.87Å; F78-W109 HydrophobicContact CG-CD2 3.87Å; F78-W109 AromaticContact CG-CE3 3.81Å; F78-W109 HydrophobicContact CG-CE3 3.81Å; F78-W109 HydrophobicContact CG-CG 4.11Å; F78-W109 HydrophobicContact CG-CZ3 4.35Å; F78-W109 HydrophobicContact CZ-CB 4.17Å; W96-W109 WeakPolarHBondContact CA-O 3.22Å; I97-W109 HydrophobicContact CB-CB 4.24Å; I97-W109 PolarHBondContact N-O 2.95Å; I97-W109 PolarHBondContact O-N 3.36Å; S99-W109 PolarHBondContact OG-NE1 3.16Å; L107-W109 HydrophobicContact CB-CH2 4.43Å; L107-W109 HydrophobicContact CB-CZ2 3.66Å; L107-W109 HydrophobicContact CD1-CH2 3.72Å; L107-W109 HydrophobicContact CD1-CZ2 3.51Å; L107-W109 HydrophobicContact CG-CZ2 4.22Å; W109-D115 WeakPolarHBondContact CZ3-O 3.2Å; W109-P117 HydrophobicContact CE3-CB 4.09Å; W109-P117 HydrophobicContact CE3-CG 4.08Å; W109-P117 HydrophobicContact CH2-CB 4.31Å; W109-P117 HydrophobicContact CH2-CG 3.65Å; W109-P117 HydrophobicContact CZ2-CG 4.49Å; W109-P117 HydrophobicContact CZ3-CB 3.92Å; W109-P117 VanDerWaalsContact CZ3-CD 3.43Å; W109-P117 HydrophobicContact CZ3-CG 3.4Å; W109-P117 VanDerWaalsContact CZ3-CG 3.4Å
110	D	97.3	Very high	97.3	Very high	12 Å²	12	51.5 Å²	51.5	6%	0.064	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	119.8	169.6	-178.8	-12.8	0	0	0	108.1	T95 N112 Q113 I118	T95-D110 WeakPolarHBondContact CB-OD1 3.38Å; T95-D110 WeakPolarHBondContact O-CA 3.38Å; T95-D110 PolarHBondContact OG1-OD1 2.94Å; D110-N112 PolarHBondContact O-N 3Å; D110-N112 PolarHBondContact OD1-N 3.4Å; D110-Q113 HydrophobicContact CB-CB 4.06Å; D110-Q113 HydrophobicContact CB-CG 4Å; D110-Q113 PolarHBondContact O-N 3.16Å; D110-Q113 PolarHBondContact OD2-NE2 3.08Å; D110-I118 HydrophobicContact CB-CD1 3.8Å; D110-I118 HydrophobicContact CB-CG2 4.31Å
111	L	95.7	Very high	97.3	Very high	30 Å²	30	51.5 Å²	51.5	16%	0.157	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-23.8	-179.9	-68.9	161.7	0	0	0	113.4	L50 V66 Q76 F78 T95 I97	L50-L111 HydrophobicContact CD1-CD1 4Å; L50-L111 HydrophobicContact CD2-CD1 3.38Å; L50-L111 HydrophobicContact CG-CD1 4.28Å; V66-L111 HydrophobicContact CB-CD2 4.2Å; V66-L111 HydrophobicContact CG1-CD2 4.25Å; V66-L111 HydrophobicContact CG2-CD2 3.33Å; Q76-L111 PolarHBondContact OE1-O 2.69Å; F78-L111 HydrophobicContact CE2-CD2 4.07Å; F78-L111 HydrophobicContact CZ-CD2 3.72Å; F78-L111 HydrophobicContact CZ-CG 4.49Å; T95-L111 HydrophobicContact CG2-CB 4.33Å; T95-L111 PolarHBondContact O-N 3.38Å; I97-L111 HydrophobicContact CD1-CD1 4.01Å; I97-L111 HydrophobicContact CD1-CD2 3.61Å; I97-L111 HydrophobicContact CD1-CG 3.7Å; I97-L111 HydrophobicContact CG1-CG 4.48Å
112	N	96.1	Very high	97.3	Very high	129 Å²	129	55 Å²	55	69%	0.69	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-6	-179.4	-66.1	-21	0	0	0	113.9	T95 D110	T95-N112 WeakPolarHBondContact CG2-ND2 3.38Å; D110-N112 PolarHBondContact O-N 3Å; D110-N112 PolarHBondContact OD1-N 3.4Å
113	Q	93.9	Very high	97.2	Very high	129 Å²	129	51.5 Å²	51.5	60%	0.603	28%	0.284	S	S	*	.	S	Bend	trans	-111	19.2	-174.2	-61.8	-168.5	44.3	0	0	114.2	D110 I118	D110-Q113 HydrophobicContact CB-CB 4.06Å; D110-Q113 HydrophobicContact CB-CG 4Å; D110-Q113 PolarHBondContact O-N 3.16Å; D110-Q113 PolarHBondContact OD2-NE2 3.08Å; Q113-I118 HydrophobicContact CB-CG2 4.19Å
114	G	91.5	Very high	97.2	Very high	36 Å²	36	50.8 Å²	50.8	37%	0.371	28%	0.28	S	S	.	.			trans	86.5	-161.5	179.7	0	0	0	0	0	112.8	Q76 F78	Q76-G114 PolarHBondContact NE2-O 2.7Å; Q76-G114 VanDerWaalsContact NE2-O 3.08Å; F78-G114 WeakPolarHBondContact CE1-O 3.33Å
115	D	92.5	Very high	97.2	Very high	84 Å²	84	52.9 Å²	52.9	45%	0.449	29%	0.291	S	S	.	.	S	Bend	trans	-97.6	-0.4	-168.1	-60.4	-29.1	0	0	0	114.5	Q76 F78 W109	Q76-D115 WeakPolarHBondContact CG-OD1 3.13Å; Q76-D115 PolarHBondContact NE2-OD1 3.29Å; F78-D115 HydrophobicContact CD1-CB 4.49Å; W109-D115 WeakPolarHBondContact CZ3-O 3.2Å
116	E	96.6	Very high	97.2	Very high	142 Å²	142	56.1 Å²	56.1	66%	0.664	31%	0.307	S	S	*	.	S	Bend	trans	-89.7	149.2	-179.4	-66.2	-66.7	159.6	0	0	111.6	I118	E116-I118 PolarHBondContact O-N 2.99Å
117	P	97.9	Very high	97.1	Very high	42 Å²	42	57.2 Å²	57.2	27%	0.273	31%	0.314	S	S	.	.			trans	-64.4	136.6	174.1	-9.2	21	0	0	0	111.1	L107 M108 W109	L107-P117 HydrophobicContact CB-CB 4.34Å; L107-P117 HydrophobicContact CD1-CG 4.06Å; L107-P117 HydrophobicContact CD2-CB 4.11Å; L107-P117 HydrophobicContact CD2-CG 4.27Å; M108-P117 CarbonylContact O-C 3.53Å; M108-P117 WeakPolarHBondContact O-CA 3.41Å; W109-P117 HydrophobicContact CE3-CB 4.09Å; W109-P117 HydrophobicContact CE3-CG 4.08Å; W109-P117 HydrophobicContact CH2-CB 4.31Å; W109-P117 HydrophobicContact CH2-CG 3.65Å; W109-P117 HydrophobicContact CZ2-CG 4.49Å; W109-P117 HydrophobicContact CZ3-CB 3.92Å; W109-P117 VanDerWaalsContact CZ3-CD 3.43Å; W109-P117 HydrophobicContact CZ3-CG 3.4Å; W109-P117 VanDerWaalsContact CZ3-CG 3.4Å
118	I	98.1	Very high	97.1	Very high	50 Å²	50	57 Å²	57	26%	0.256	31%	0.313	S	S	.	.	S	Bend	trans	-90.6	-22.7	175	58.4	161.4	0	0	0	112.9	M108 D110 Q113 E116	M108-I118 HydrophobicContact CB-CG1 4.08Å; M108-I118 HydrophobicContact CE-CD1 3.7Å; M108-I118 HydrophobicContact CG-CD1 3.85Å; M108-I118 HydrophobicContact CG-CG1 3.78Å; M108-I118 WeakPolarHBondContact O-CG1 3.38Å; M108-I118 PolarHBondContact O-N 2.87Å; M108-I118 HydrophobicContact SD-CD1 3.86Å; M108-I118 HydrophobicContact SD-CG1 4.17Å; D110-I118 HydrophobicContact CB-CD1 3.8Å; D110-I118 HydrophobicContact CB-CG2 4.31Å; Q113-I118 HydrophobicContact CB-CG2 4.19Å; E116-I118 PolarHBondContact O-N 2.99Å
119	Q	98.3	Very high	97.1	Very high	66 Å²	66	58.3 Å²	58.3	31%	0.308	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	154	172	-64.4	-66.6	-13.9	0	0	110.6	M108 F121 E155 A157	M108-Q119 HydrophobicContact CB-CB 3.86Å; M108-Q119 PolarHBondContact N-O 3.44Å; M108-Q119 PolarHBondContact O-N 2.9Å; M108-Q119 HydrophobicContact SD-CB 4.19Å; M108-Q119 HydrophobicContact SD-CG 4.02Å; Q119-F121 HydrophobicContact CB-CE2 4.3Å; Q119-F121 HydrophobicContact CB-CZ 4.34Å; Q119-E155 PolarHBondContact NE2-O 3.24Å; Q119-A157 HydrophobicContact CB-CB 4.37Å
120	E	98.6	Very high	97	Very high	104 Å²	104	58.2 Å²	58.2	49%	0.486	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	124.3	174.8	178.2	173.7	-162.7	0	0	110.5	L107 C122	L107-E120 HydrophobicContact CD2-CB 3.73Å; L107-E120 HydrophobicContact CD2-CG 3.64Å; E120-C122 VanDerWaalsContact CD-SG 3.56Å; E120-C122 PolarHBondContact OE1-SG 3.31Å
121	F	98.8	Very high	97.1	Very high	1 Å²	1	58 Å²	58	0%	0.004	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	94.3	178.3	-52.7	-90.6	0	0	0	109.7	F98 V106 M108 Q119 L140 W152 I154 A157	F98-F121 HydrophobicContact CD1-CE2 4Å; F98-F121 AromaticContact CE1-CE2 3.85Å; F98-F121 HydrophobicContact CE1-CE2 3.85Å; F98-F121 AromaticContact CE1-CZ 3.99Å; F98-F121 HydrophobicContact CE1-CZ 3.99Å; V106-F121 HydrophobicContact CB-CB 4.14Å; V106-F121 HydrophobicContact CB-CD2 4.03Å; V106-F121 HydrophobicContact CB-CG 4.5Å; V106-F121 HydrophobicContact CG1-CD2 4.09Å; V106-F121 PolarHBondContact N-O 3.44Å; V106-F121 WeakPolarHBondContact O-CD2 3.38Å; V106-F121 PolarHBondContact O-N 3.17Å; M108-F121 HydrophobicContact CB-CE2 4.09Å; Q119-F121 HydrophobicContact CB-CE2 4.3Å; Q119-F121 HydrophobicContact CB-CZ 4.34Å; F121-L140 HydrophobicContact CD1-CD2 4Å; F121-L140 HydrophobicContact CD2-CD2 3.6Å; F121-L140 HydrophobicContact CE1-CD2 4Å; F121-L140 HydrophobicContact CE2-CD2 3.62Å; F121-L140 HydrophobicContact CG-CD2 3.81Å; F121-L140 HydrophobicContact CZ-CD2 3.83Å; F121-W152 HydrophobicContact CB-CD2 4.05Å; F121-W152 HydrophobicContact CB-CE3 4Å; F121-W152 HydrophobicContact CB-CZ3 4.22Å; F121-W152 HydrophobicContact CD1-CB 3.68Å; F121-W152 AromaticContact CD1-CD2 3.94Å; F121-W152 HydrophobicContact CD1-CD2 3.94Å; F121-W152 AromaticContact CD1-CE3 3.97Å; F121-W152 HydrophobicContact CD1-CE3 3.97Å; F121-W152 AromaticContact CD1-CG 3.8Å; F121-W152 HydrophobicContact CD1-CG 3.8Å; F121-W152 HydrophobicContact CE1-CB 3.92Å; F121-W152 HydrophobicContact CE1-CG 4.49Å; F121-W152 HydrophobicContact CG-CD2 4.43Å; F121-W152 HydrophobicContact CG-CE3 4.49Å; F121-I154 HydrophobicContact CZ-CG1 4.48Å; F121-A157 HydrophobicContact CD1-CB 4.05Å; F121-A157 HydrophobicContact CE1-CB 4.01Å
122	C	97.9	Very high	97.2	Very high	73 Å²	73	56.8 Å²	56.8	49%	0.493	31%	0.312	S	S	.	.			trans	-98	137.6	-179.8	-83.3	0	0	0	0	112.7	E120 W152	E120-C122 VanDerWaalsContact CD-SG 3.56Å; E120-C122 PolarHBondContact OE1-SG 3.31Å; C122-W152 WeakPolarHBondContact O-CH2 3.34Å; C122-W152 VanDerWaalsContact O-CZ3 3.28Å; C122-W152 WeakPolarHBondContact O-CZ3 3.15Å
123	G	96.6	Very high	97.3	Very high	47 Å²	47	51.5 Å²	51.5	49%	0.485	28%	0.284	S	S	.	.			trans	153	-9.7	170.6	0	0	0	0	0	115.9
124	H	98.5	Very high	97.5	Very high	9 Å²	9	45.6 Å²	45.6	4%	0.042	26%	0.257	C	S	.	.			trans	-77	146.8	170	-79.2	-61.5	0	0	0	111.5	K104 V128 T142 S144 D146 C150	K104-H124 WeakPolarHBondContact CB-O 3.19Å; K104-H124 WeakPolarHBondContact O-CB 3.43Å; H124-V128 HydrophobicContact CB-CG2 3.88Å; H124-T142 PolarHBondContact NE2-OG1 2.84Å; H124-S144 WeakPolarHBondContact ND1-CB 3.5Å; H124-D146 VanDerWaalsContact CA-OD2 3.27Å; H124-D146 WeakPolarHBondContact CA-OD2 3.48Å; H124-D146 WeakPolarHBondContact CB-OD2 3.45Å; H124-D146 IonicContact CG-OD2 2.73Å; H124-D146 IonicContact ND1-OD1 3.41Å; H124-D146 PolarHBondContact ND1-OD1 3.27Å; H124-D146 IonicContact ND1-OD2 3.3Å; H124-D146 PolarHBondContact ND1-OD2 2.81Å; H124-C150 VanDerWaalsContact CE1-SG 3.52Å
125	E	98.3	Very high	97.7	Very high	127 Å²	127	47 Å²	47	59%	0.593	26%	0.259	S	S	*	.	S	Bend	trans	-100.9	-13.9	-176.8	-68.4	-60.4	161.3	0	0	113.4	K104 D146	K104-E125 VanDerWaalsContact CD-O 3.29Å; K104-E125 WeakPolarHBondContact CD-O 3.48Å; K104-E125 WeakPolarHBondContact CE-O 3.48Å; K104-E125 PolarHBondContact NZ-O 3.44Å; E125-D146 HydrophobicContact CB-CB 4.18Å; E125-D146 PolarHBondContact N-OD2 3.12Å
126	L	98.6	Very high	97.8	Very high	86 Å²	86	46.9 Å²	46.9	45%	0.45	26%	0.258	S	S	.	.	S	Bend	trans	-136.8	178.3	176	-63.5	179.4	0	0	0	110.2	V128 S144 R145 D146	L126-V128 PolarHBondContact O-N 3.38Å; L126-S144 VanDerWaalsContact C-OG 3.3Å; L126-S144 PolarHBondContact O-OG 3.18Å; L126-R145 HydrophobicContact CB-CB 4.2Å; L126-R145 WeakPolarHBondContact CD1-O 3.22Å; L126-D146 HydrophobicContact CB-CB 3.96Å; L126-D146 HydrophobicContact CD1-CB 4.36Å; L126-D146 HydrophobicContact CG-CB 4.12Å
127	V	98.6	Very high	97.8	Very high	24 Å²	24	40.4 Å²	40.4	15%	0.145	23%	0.23	C	C	.	.			trans	-45.1	124.4	-178.8	-179.2	0	0	0	0	112.1	T86 R102 N129 S144 R145	T86-V127 HydrophobicContact CG2-CG1 3.77Å; R102-V127 HydrophobicContact CB-CG1 4.42Å; R102-V127 HydrophobicContact CB-CG2 4.14Å; R102-V127 HydrophobicContact CG-CG1 3.85Å; R102-V127 HydrophobicContact CG-CG2 3.99Å; V127-N129 WeakPolarHBondContact CG1-OD1 3.34Å; V127-S144 VanDerWaalsContact O-CA 3.31Å; V127-S144 WeakPolarHBondContact O-CA 3.17Å; V127-S144 WeakPolarHBondContact O-CB 3.47Å; V127-S144 PolarHBondContact O-OG 3.25Å; V127-R145 HydrophobicContact CB-CG 4.29Å; V127-R145 PolarHBondContact O-N 2.61Å
128	V	98.9	Very high	97.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	125.4	170.5	-172	0	0	0	0	108	T86 A100 S101 V106 H124 L126 I131	T86-V128 WeakPolarHBondContact CB-O 3.38Å; T86-V128 PolarHBondContact OG1-O 3.44Å; A100-V128 HydrophobicContact CB-CB 3.97Å; A100-V128 HydrophobicContact CB-CG1 3.76Å; S101-V128 PolarHBondContact O-N 2.96Å; V106-V128 HydrophobicContact CG2-CB 4.38Å; V106-V128 HydrophobicContact CG2-CG1 3.78Å; V106-V128 HydrophobicContact CG2-CG2 4.43Å; H124-V128 HydrophobicContact CB-CG2 3.88Å; L126-V128 PolarHBondContact O-N 3.38Å; V128-I131 HydrophobicContact CG1-CG2 4.4Å
129	N	98	Very high	97.8	Very high	32 Å²	32	46 Å²	46	17%	0.171	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	-10	-173.1	-91.1	-12.6	0	0	0	113.1	K87 V127 G143 R145 V170 T171	K87-N129 WeakPolarHBondContact CD-O 3.29Å; K87-N129 WeakPolarHBondContact CE-O 3.27Å; K87-N129 PolarHBondContact NZ-O 2.97Å; V127-N129 WeakPolarHBondContact CG1-OD1 3.34Å; N129-G143 PolarHBondContact N-O 2.85Å; N129-R145 WeakPolarHBondContact ND2-CG 3.31Å; N129-V170 VanDerWaalsContact CB-O 3.25Å; N129-V170 WeakPolarHBondContact CB-O 3.27Å; N129-V170 PolarHBondContact ND2-O 3.44Å; N129-T171 VanDerWaalsContact O-O 3.11Å
130	G	96.8	Very high	97.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	136	178.4	0	0	0	0	0	110.3	T142 G143	G130-T142 CarbonylContact O-C 3.59Å; G130-T142 VanDerWaalsContact O-CA 3.25Å; G130-T142 WeakPolarHBondContact O-CA 3.48Å; G130-G143 PolarHBondContact N-O 2.76Å; G130-G143 PolarHBondContact O-N 2.89Å
131	I	98.6	Very high	97.8	Very high	8 Å²	8	38 Å²	38	4%	0.041	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	140.5	171.7	58.5	-179.5	0	0	0	108.6	K87 L89 F98 A100 V106 V128 L140 C141 T142	K87-I131 HydrophobicContact CB-CD1 3.95Å; K87-I131 HydrophobicContact CB-CG1 3.96Å; K87-I131 HydrophobicContact CG-CG1 4.19Å; L89-I131 HydrophobicContact CB-CD1 3.64Å; L89-I131 HydrophobicContact CB-CG1 3.96Å; L89-I131 HydrophobicContact CD2-CG1 4.32Å; F98-I131 HydrophobicContact CB-CD1 4.2Å; A100-I131 HydrophobicContact CB-CD1 4.47Å; A100-I131 HydrophobicContact CB-CG2 3.62Å; V106-I131 HydrophobicContact CG1-CG2 4.19Å; V106-I131 HydrophobicContact CG2-CG2 3.89Å; V128-I131 HydrophobicContact CG1-CG2 4.4Å; I131-L140 HydrophobicContact CB-CD1 4.39Å; I131-C141 CarbonylContact C-O 3.55Å; I131-C141 VanDerWaalsContact CA-O 3.28Å; I131-C141 WeakPolarHBondContact CA-O 3.31Å; I131-T142 HydrophobicContact CG2-CG2 4.18Å
132	A	98.4	Very high	97.8	Very high	4 Å²	4	37.9 Å²	37.9	3%	0.033	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	139	175	0	0	0	0	0	109.9	C141 V173 W175	A132-C141 HydrophobicContact CB-CB 4.43Å; A132-C141 PolarHBondContact N-O 2.91Å; A132-C141 PolarHBondContact O-N 3.25Å; A132-V173 HydrophobicContact CB-CG1 3.9Å; A132-W175 HydrophobicContact CB-CB 4.27Å; A132-W175 HydrophobicContact CB-CE3 4.49Å
133	I	98.2	Very high	97.9	Very high	17 Å²	17	34.4 Å²	34.4	9%	0.087	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	142.4	178.9	-64	155.8	0	0	0	109.1	L89 Y91 F98 K139 L140 I154 W175	L89-I133 HydrophobicContact CD2-CB 4.1Å; L89-I133 HydrophobicContact CD2-CD1 3.33Å; L89-I133 HydrophobicContact CD2-CG1 3.4Å; L89-I133 VanDerWaalsContact CD2-CG1 3.4Å; L89-I133 HydrophobicContact CG-CD1 3.74Å; L89-I133 HydrophobicContact CG-CG1 4.36Å; Y91-I133 HydrophobicContact CD2-CB 4.43Å; Y91-I133 HydrophobicContact CD2-CG2 3.57Å; Y91-I133 HydrophobicContact CE2-CG2 4.06Å; Y91-I133 HydrophobicContact CG-CG2 4.45Å; F98-I133 HydrophobicContact CD2-CD1 3.34Å; F98-I133 HydrophobicContact CD2-CG1 4.18Å; F98-I133 HydrophobicContact CE2-CD1 3.35Å; F98-I133 HydrophobicContact CE2-CG1 4.1Å; F98-I133 HydrophobicContact CG-CD1 4.17Å; F98-I133 HydrophobicContact CZ-CD1 4.19Å; F98-I133 HydrophobicContact CZ-CG1 4.49Å; I133-K139 WeakPolarHBondContact CA-O 3.41Å; I133-L140 HydrophobicContact CG1-CD1 4.01Å; I133-I154 HydrophobicContact CG1-CD1 4.47Å; I133-I154 HydrophobicContact CG2-CD1 3.97Å; I133-W175 VanDerWaalsContact C-CE3 3.48Å; I133-W175 WeakPolarHBondContact O-CB 3.47Å
134	S	97.6	Very high	98	Very high	5 Å²	5	32.2 Å²	32.2	4%	0.035	16%	0.159	C	C	.	.			trans	-63.8	150.3	174.3	59.6	0	0	0	0	111.9	D136 G137 R138 K139 W175	S134-D136 VanDerWaalsContact CB-OD1 3.27Å; S134-D136 WeakPolarHBondContact CB-OD1 3.23Å; S134-D136 PolarHBondContact O-N 2.93Å; S134-D136 PolarHBondContact OG-OD1 2.81Å; S134-G137 PolarHBondContact O-N 2.94Å; S134-R138 PolarHBondContact OG-N 2.97Å; S134-K139 PolarHBondContact N-O 2.93Å; S134-K139 PolarHBondContact OG-N 3.17Å; S134-K139 PolarHBondContact OG-O 3.07Å; S134-W175 VanDerWaalsContact CA-CD2 3.5Å; S134-W175 VanDerWaalsContact CA-CE3 3.49Å; S134-W175 VanDerWaalsContact CB-CH2 3.41Å; S134-W175 VanDerWaalsContact CB-CZ2 3.49Å; S134-W175 VanDerWaalsContact N-CE3 3.34Å
135	P	95.4	Very high	97.9	Very high	65 Å²	65	36.1 Å²	36.1	42%	0.422	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-23	179.1	-27.9	34.7	0	0	0	114.7	Y91 W175	Y91-P135 PolarHBondContact OH-O 3.14Å; P135-W175 VanDerWaalsContact CD-CD1 3.41Å; P135-W175 VanDerWaalsContact CD-NE1 3.3Å
136	D	95.5	Very high	97.9	Very high	82 Å²	82	30.8 Å²	30.8	44%	0.439	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-0.8	176.2	68	-4.6	0	0	0	113.9	S134 R138	S134-D136 VanDerWaalsContact CB-OD1 3.27Å; S134-D136 WeakPolarHBondContact CB-OD1 3.23Å; S134-D136 PolarHBondContact O-N 2.93Å; S134-D136 PolarHBondContact OG-OD1 2.81Å; D136-R138 VanDerWaalsContact C-N 3.25Å; D136-R138 PolarHBondContact O-N 3.3Å; D136-R138 PolarHBondContact OD1-N 2.85Å; D136-R138 VanDerWaalsContact OD1-N 3.15Å
137	G	96.3	Very high	97.9	Very high	7 Å²	7	28.6 Å²	28.6	7%	0.072	14%	0.138	C	C	.	.	S	Bend	trans	71.8	12.2	177.8	0	0	0	0	0	115	Y91 S134 I154	Y91-G137 VanDerWaalsContact CZ-CA 3.44Å; Y91-G137 PolarHBondContact OH-N 2.96Å; S134-G137 PolarHBondContact O-N 2.94Å; G137-I154 WeakPolarHBondContact O-CD1 3.19Å
138	R	97.5	Very high	97.9	Very high	167 Å²	167	30.4 Å²	30.4	63%	0.63	14%	0.142	S	C	*	.			trans	-96.8	-28.1	-174.4	-65.1	-177.6	177.6	175.7	-2.9	114.3	S134 D136 I154	S134-R138 PolarHBondContact OG-N 2.97Å; D136-R138 VanDerWaalsContact C-N 3.25Å; D136-R138 PolarHBondContact O-N 3.3Å; D136-R138 PolarHBondContact OD1-N 2.85Å; D136-R138 VanDerWaalsContact OD1-N 3.15Å; R138-I154 WeakPolarHBondContact O-CB 3.38Å; R138-I154 PolarHBondContact O-N 2.79Å
139	K	98.3	Very high	97.8	Very high	43 Å²	43	30.4 Å²	30.4	19%	0.187	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	138.4	-174.4	-55.2	-60.5	174.7	-169.1	0	111.1	I133 S134 L151 W152 D153 E160 W175	I133-K139 WeakPolarHBondContact CA-O 3.41Å; S134-K139 PolarHBondContact N-O 2.93Å; S134-K139 PolarHBondContact OG-N 3.17Å; S134-K139 PolarHBondContact OG-O 3.07Å; K139-L151 HydrophobicContact CB-CD1 4.03Å; K139-L151 HydrophobicContact CB-CG 4.42Å; K139-W152 VanDerWaalsContact CA-O 3.24Å; K139-W152 WeakPolarHBondContact CA-O 3.43Å; K139-W152 WeakPolarHBondContact CD-O 3.46Å; K139-D153 IonicContact NZ-OD2 3.93Å; K139-D153 PolarHBondContact NZ-OD2 3.04Å; K139-E160 WeakPolarHBondContact CD-OE2 3.41Å; K139-E160 WeakPolarHBondContact CE-OE2 3.24Å; K139-E160 IonicContact NZ-OE1 3.5Å; K139-E160 PolarHBondContact NZ-OE1 3.23Å; K139-E160 IonicContact NZ-OE2 2.85Å; K139-E160 PolarHBondContact NZ-OE2 3.19Å; K139-W175 HydrophobicContact CB-CH2 3.98Å; K139-W175 HydrophobicContact CB-CZ3 4.27Å
140	L	98.8	Very high	97.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	133	169.3	177.4	71.6	0	0	0	107.8	F98 V106 F121 I131 I133 T142 L151 W152 I154	F98-L140 HydrophobicContact CD1-CD1 4.06Å; F98-L140 HydrophobicContact CD1-CD2 4.07Å; F98-L140 HydrophobicContact CE1-CD1 4.44Å; F98-L140 HydrophobicContact CE1-CD2 4.35Å; F98-L140 HydrophobicContact CG-CD1 4.47Å; V106-L140 HydrophobicContact CB-CD2 4.44Å; V106-L140 HydrophobicContact CG1-CD2 3.95Å; F121-L140 HydrophobicContact CD1-CD2 4Å; F121-L140 HydrophobicContact CD2-CD2 3.6Å; F121-L140 HydrophobicContact CE1-CD2 4Å; F121-L140 HydrophobicContact CE2-CD2 3.62Å; F121-L140 HydrophobicContact CG-CD2 3.81Å; F121-L140 HydrophobicContact CZ-CD2 3.83Å; I131-L140 HydrophobicContact CB-CD1 4.39Å; I133-L140 HydrophobicContact CG1-CD1 4.01Å; L140-T142 HydrophobicContact CD2-CG2 3.78Å; L140-T142 HydrophobicContact CG-CG2 3.83Å; L140-L151 CarbonylContact O-C 3.36Å; L140-L151 WeakPolarHBondContact O-CA 3.13Å; L140-W152 HydrophobicContact CB-CB 4.3Å; L140-W152 PolarHBondContact N-O 3.06Å; L140-W152 VanDerWaalsContact O-CD1 3.27Å; L140-W152 PolarHBondContact O-N 3.45Å; L140-I154 HydrophobicContact CB-CD1 4.15Å; L140-I154 HydrophobicContact CB-CG1 3.78Å
141	C	98.8	Very high	97.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	130.8	171.2	175	0	0	0	0	108.8	I131 A132 M149 C150 L151 W175 V182 W199	I131-C141 CarbonylContact C-O 3.55Å; I131-C141 VanDerWaalsContact CA-O 3.28Å; I131-C141 WeakPolarHBondContact CA-O 3.31Å; A132-C141 HydrophobicContact CB-CB 4.43Å; A132-C141 PolarHBondContact N-O 2.91Å; A132-C141 PolarHBondContact O-N 3.25Å; C141-M149 WeakPolarHBondContact SG-CE 3.29Å; C141-C150 CarbonylContact C-O 3.59Å; C141-C150 WeakPolarHBondContact CA-O 3.34Å; C141-L151 HydrophobicContact CB-CD1 4.09Å; C141-W175 HydrophobicContact CB-CE3 4.19Å; C141-W175 HydrophobicContact CB-CZ3 3.92Å; C141-V182 HydrophobicContact CB-CG1 4.49Å; C141-V182 HydrophobicContact CB-CG2 4.49Å; C141-W199 VanDerWaalsContact SG-CH2 3.57Å
142	T	98.8	Very high	98	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.4	-179.8	67.7	0	0	0	0	111.5	V106 H124 G130 I131 L140 M149 C150 W152	V106-T142 HydrophobicContact CG2-CG2 3.75Å; H124-T142 PolarHBondContact NE2-OG1 2.84Å; G130-T142 CarbonylContact O-C 3.59Å; G130-T142 VanDerWaalsContact O-CA 3.25Å; G130-T142 WeakPolarHBondContact O-CA 3.48Å; I131-T142 HydrophobicContact CG2-CG2 4.18Å; L140-T142 HydrophobicContact CD2-CG2 3.78Å; L140-T142 HydrophobicContact CG-CG2 3.83Å; T142-M149 WeakPolarHBondContact O-CA 3.44Å; T142-M149 WeakPolarHBondContact O-CE 3.46Å; T142-C150 PolarHBondContact N-O 3.05Å; T142-C150 PolarHBondContact O-N 2.79Å; T142-W152 PolarHBondContact OG1-NE1 2.85Å
143	G	98.6	Very high	98	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	137.6	178.1	0	0	0	0	0	112.4	N129 G130	N129-G143 PolarHBondContact N-O 2.85Å; G130-G143 PolarHBondContact N-O 2.76Å; G130-G143 PolarHBondContact O-N 2.89Å
144	S	98.6	Very high	98	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	162.7	-172.1	170.5	0	0	0	0	113.1	H124 L126 V127 D146 N147 W148 V170	H124-S144 WeakPolarHBondContact ND1-CB 3.5Å; L126-S144 VanDerWaalsContact C-OG 3.3Å; L126-S144 PolarHBondContact O-OG 3.18Å; V127-S144 VanDerWaalsContact O-CA 3.31Å; V127-S144 WeakPolarHBondContact O-CA 3.17Å; V127-S144 WeakPolarHBondContact O-CB 3.47Å; V127-S144 PolarHBondContact O-OG 3.25Å; S144-D146 WeakPolarHBondContact CB-OD1 3.44Å; S144-D146 PolarHBondContact O-N 2.86Å; S144-D146 PolarHBondContact OG-N 3.06Å; S144-D146 VanDerWaalsContact OG-N 3.16Å; S144-D146 PolarHBondContact OG-OD1 2.88Å; S144-D146 PolarHBondContact OG-OD2 3.5Å; S144-N147 PolarHBondContact O-N 3.08Å; S144-W148 PolarHBondContact N-O 2.78Å; S144-V170 PolarHBondContact O-N 2.77Å
145	R	98.3	Very high	98	Very high	92 Å²	92	37.6 Å²	37.6	35%	0.347	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-5	170.2	-59.2	-167.2	82.4	-155.4	0.7	113.3	L126 V127 N129 N147 L169 E187	L126-R145 HydrophobicContact CB-CB 4.2Å; L126-R145 WeakPolarHBondContact CD1-O 3.22Å; V127-R145 HydrophobicContact CB-CG 4.29Å; V127-R145 PolarHBondContact O-N 2.61Å; N129-R145 WeakPolarHBondContact ND2-CG 3.31Å; R145-N147 PolarHBondContact O-N 3.48Å; R145-L169 HydrophobicContact CB-CB 4.5Å; R145-L169 HydrophobicContact CB-CD2 4.28Å; R145-E187 IonicContact CZ-OE1 2.78Å; R145-E187 IonicContact NE-OE1 3.45Å; R145-E187 PolarHBondContact NE-OE1 3.39Å; R145-E187 VanDerWaalsContact NE-OE1 3.15Å; R145-E187 IonicContact NH2-OE1 3.64Å; R145-E187 PolarHBondContact NH2-OE1 3.41Å; R145-E187 IonicContact NH2-OE2 3.23Å; R145-E187 PolarHBondContact NH2-OE2 3.18Å
146	D	98.1	Very high	98.1	Very high	15 Å²	15	37.1 Å²	37.1	8%	0.08	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	0.8	170.7	65.1	12.7	0	0	0	113.6	H124 E125 L126 S144 W148	H124-D146 VanDerWaalsContact CA-OD2 3.27Å; H124-D146 WeakPolarHBondContact CA-OD2 3.48Å; H124-D146 WeakPolarHBondContact CB-OD2 3.45Å; H124-D146 IonicContact CG-OD2 2.73Å; H124-D146 IonicContact ND1-OD1 3.41Å; H124-D146 PolarHBondContact ND1-OD1 3.27Å; H124-D146 IonicContact ND1-OD2 3.3Å; H124-D146 PolarHBondContact ND1-OD2 2.81Å; E125-D146 HydrophobicContact CB-CB 4.18Å; E125-D146 PolarHBondContact N-OD2 3.12Å; L126-D146 HydrophobicContact CB-CB 3.96Å; L126-D146 HydrophobicContact CD1-CB 4.36Å; L126-D146 HydrophobicContact CG-CB 4.12Å; S144-D146 WeakPolarHBondContact CB-OD1 3.44Å; S144-D146 PolarHBondContact O-N 2.86Å; S144-D146 PolarHBondContact OG-N 3.06Å; S144-D146 VanDerWaalsContact OG-N 3.16Å; S144-D146 PolarHBondContact OG-OD1 2.88Å; S144-D146 PolarHBondContact OG-OD2 3.5Å; D146-W148 VanDerWaalsContact C-N 3.29Å; D146-W148 WeakPolarHBondContact OD1-CA 3.38Å; D146-W148 VanDerWaalsContact OD1-CB 3.26Å; D146-W148 WeakPolarHBondContact OD1-CB 3.43Å; D146-W148 PolarHBondContact OD1-N 2.88Å
147	N	97.8	Very high	98.2	Very high	39 Å²	39	34.1 Å²	34.1	21%	0.209	16%	0.159	C	C	.	.	S	Bend	trans	75.4	8.7	-176.7	-42.4	-72.5	0	0	0	115.8	S144 R145 N164 I165 N168	S144-N147 PolarHBondContact O-N 3.08Å; R145-N147 PolarHBondContact O-N 3.48Å; N147-N164 WeakPolarHBondContact O-CA 3.48Å; N147-I165 VanDerWaalsContact CB-O 3.28Å; N147-I165 WeakPolarHBondContact CB-O 3.49Å; N147-I165 PolarHBondContact O-N 2.97Å; N147-I165 VanDerWaalsContact O-N 3.07Å; N147-N168 WeakPolarHBondContact CA-O 3.44Å; N147-N168 HydrophobicContact CB-CB 4.43Å; N147-N168 VanDerWaalsContact OD1-C 3.3Å; N147-N168 PolarHBondContact OD1-N 3.45Å
148	W	97.8	Very high	98.3	Very high	63 Å²	63	40.7 Å²	40.7	24%	0.239	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	140.5	178.9	-64.9	82.2	0	0	0	112.2	S144 D146 R162 H163 N164	S144-W148 PolarHBondContact N-O 2.78Å; D146-W148 VanDerWaalsContact C-N 3.29Å; D146-W148 WeakPolarHBondContact OD1-CA 3.38Å; D146-W148 VanDerWaalsContact OD1-CB 3.26Å; D146-W148 WeakPolarHBondContact OD1-CB 3.43Å; D146-W148 PolarHBondContact OD1-N 2.88Å; W148-R162 HydrophobicContact CE3-CB 3.69Å; W148-R162 HydrophobicContact CE3-CG 4.02Å; W148-R162 VanDerWaalsContact CH2-NE 3.33Å; W148-R162 HydrophobicContact CZ3-CB 3.91Å; W148-R162 HydrophobicContact CZ3-CG 3.71Å; W148-H163 WeakPolarHBondContact CA-O 3.26Å; W148-H163 VanDerWaalsContact CE3-C 3.42Å; W148-N164 HydrophobicContact CD2-CB 3.8Å; W148-N164 VanDerWaalsContact CE2-ND2 3.27Å; W148-N164 HydrophobicContact CE3-CB 3.91Å; W148-N164 HydrophobicContact CG-CB 4.48Å; W148-N164 HydrophobicContact CH2-CB 3.78Å; W148-N164 HydrophobicContact CZ2-CB 3.65Å; W148-N164 HydrophobicContact CZ3-CB 3.89Å; W148-N164 PolarHBondContact NE1-ND2 3.34Å
149	M	98.4	Very high	98.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.8	159.5	-77.6	-104.3	53.2	0	0	107.7	C141 T142 R162 H163 V170 V173 Q184 W194 W199	C141-M149 WeakPolarHBondContact SG-CE 3.29Å; T142-M149 WeakPolarHBondContact O-CA 3.44Å; T142-M149 WeakPolarHBondContact O-CE 3.46Å; M149-R162 CarbonylContact O-C 3.54Å; M149-R162 WeakPolarHBondContact O-CA 3.2Å; M149-H163 PolarHBondContact N-O 2.79Å; M149-H163 PolarHBondContact O-N 2.86Å; M149-V170 HydrophobicContact CG-CG2 4.32Å; M149-V173 HydrophobicContact CE-CG1 4.31Å; M149-V173 HydrophobicContact CE-CG2 3.71Å; M149-V173 HydrophobicContact SD-CG2 4.06Å; M149-Q184 HydrophobicContact CG-CG 4.46Å; M149-Q184 HydrophobicContact SD-CB 3.95Å; M149-Q184 HydrophobicContact SD-CG 3.67Å; M149-W194 HydrophobicContact CB-CH2 4.07Å; M149-W194 HydrophobicContact CB-CZ2 4.06Å; M149-W194 HydrophobicContact CG-CH2 4.14Å; M149-W194 HydrophobicContact CG-CZ2 3.63Å; M149-W194 HydrophobicContact SD-CZ2 4.3Å; M149-W199 HydrophobicContact CB-CH2 4.36Å; M149-W199 HydrophobicContact CB-CZ2 3.68Å; M149-W199 PolarHBondContact O-NE1 3.37Å
150	C	98.5	Very high	98.3	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.034	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	142.3	178	-65.1	0	0	0	0	110.9	H124 C141 T142 W152 H161	H124-C150 VanDerWaalsContact CE1-SG 3.52Å; C141-C150 CarbonylContact C-O 3.59Å; C141-C150 WeakPolarHBondContact CA-O 3.34Å; T142-C150 PolarHBondContact N-O 3.05Å; T142-C150 PolarHBondContact O-N 2.79Å; C150-W152 HydrophobicContact CB-CZ2 3.61Å; C150-H161 CarbonylContact C-O 3.55Å; C150-H161 VanDerWaalsContact CA-O 3.32Å; C150-H161 WeakPolarHBondContact CA-O 3.43Å
151	L	98.8	Very high	98.3	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.7	170.3	-167.3	72.3	0	0	0	108.5	K139 L140 C141 E160 H161 W175 S196 W199	K139-L151 HydrophobicContact CB-CD1 4.03Å; K139-L151 HydrophobicContact CB-CG 4.42Å; L140-L151 CarbonylContact O-C 3.36Å; L140-L151 WeakPolarHBondContact O-CA 3.13Å; C141-L151 HydrophobicContact CB-CD1 4.09Å; L151-E160 PolarHBondContact O-N 3.29Å; L151-H161 HydrophobicContact CB-CB 4.22Å; L151-H161 PolarHBondContact N-O 2.95Å; L151-H161 PolarHBondContact O-N 3.27Å; L151-W175 HydrophobicContact CD1-CH2 3.88Å; L151-W175 HydrophobicContact CD1-CZ3 3.98Å; L151-S196 WeakPolarHBondContact CD2-O 3.2Å; L151-W199 HydrophobicContact CB-CD2 4.22Å; L151-W199 HydrophobicContact CB-CE3 4.09Å; L151-W199 HydrophobicContact CB-CH2 3.96Å; L151-W199 HydrophobicContact CB-CZ2 4.06Å; L151-W199 HydrophobicContact CB-CZ3 3.99Å; L151-W199 HydrophobicContact CD1-CH2 4.3Å; L151-W199 HydrophobicContact CD1-CZ3 3.94Å; L151-W199 HydrophobicContact CD2-CE3 4.21Å; L151-W199 HydrophobicContact CD2-CZ3 4.44Å; L151-W199 HydrophobicContact CG-CZ3 4.35Å
152	W	98.8	Very high	98.2	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.015	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	146	-174.7	-44.6	80	0	0	0	110.1	F121 C122 K139 L140 T142 C150 K158 C159	F121-W152 HydrophobicContact CB-CD2 4.05Å; F121-W152 HydrophobicContact CB-CE3 4Å; F121-W152 HydrophobicContact CB-CZ3 4.22Å; F121-W152 HydrophobicContact CD1-CB 3.68Å; F121-W152 AromaticContact CD1-CD2 3.94Å; F121-W152 HydrophobicContact CD1-CD2 3.94Å; F121-W152 AromaticContact CD1-CE3 3.97Å; F121-W152 HydrophobicContact CD1-CE3 3.97Å; F121-W152 AromaticContact CD1-CG 3.8Å; F121-W152 HydrophobicContact CD1-CG 3.8Å; F121-W152 HydrophobicContact CE1-CB 3.92Å; F121-W152 HydrophobicContact CE1-CG 4.49Å; F121-W152 HydrophobicContact CG-CD2 4.43Å; F121-W152 HydrophobicContact CG-CE3 4.49Å; C122-W152 WeakPolarHBondContact O-CH2 3.34Å; C122-W152 VanDerWaalsContact O-CZ3 3.28Å; C122-W152 WeakPolarHBondContact O-CZ3 3.15Å; K139-W152 VanDerWaalsContact CA-O 3.24Å; K139-W152 WeakPolarHBondContact CA-O 3.43Å; K139-W152 WeakPolarHBondContact CD-O 3.46Å; L140-W152 HydrophobicContact CB-CB 4.3Å; L140-W152 PolarHBondContact N-O 3.06Å; L140-W152 VanDerWaalsContact O-CD1 3.27Å; L140-W152 PolarHBondContact O-N 3.45Å; T142-W152 PolarHBondContact OG1-NE1 2.85Å; C150-W152 HydrophobicContact CB-CZ2 3.61Å; W152-K158 VanDerWaalsContact CA-O 3.29Å; W152-K158 WeakPolarHBondContact CA-O 3.28Å; W152-C159 HydrophobicContact CD2-CB 4.21Å; W152-C159 HydrophobicContact CE3-CB 3.6Å; W152-C159 HydrophobicContact CH2-CB 4.02Å; W152-C159 HydrophobicContact CZ3-CB 3.51Å
153	D	98.6	Very high	98.1	Very high	29 Å²	29	51 Å²	51	16%	0.155	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	124.4	161	-175.7	-104.7	0	0	0	109.7	K139 S156 A157 K158 E160	K139-D153 IonicContact NZ-OD2 3.93Å; K139-D153 PolarHBondContact NZ-OD2 3.04Å; D153-S156 WeakPolarHBondContact CB-OG 3.49Å; D153-S156 WeakPolarHBondContact OD1-CB 3.46Å; D153-S156 PolarHBondContact OD1-N 2.96Å; D153-S156 PolarHBondContact OD1-OG 3.14Å; D153-A157 WeakPolarHBondContact O-CA 3.47Å; D153-A157 PolarHBondContact O-N 3.25Å; D153-K158 PolarHBondContact N-O 3.15Å; D153-E160 HydrophobicContact CB-CG 4.22Å
154	I	98.4	Very high	98.1	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-40.5	-174.1	-74.4	172.3	0	0	0	111.6	W96 F98 M108 F121 I133 G137 R138 L140	W96-I154 HydrophobicContact CZ3-CG2 4.06Å; F98-I154 HydrophobicContact CE1-CD1 4.38Å; F98-I154 HydrophobicContact CE1-CG1 4.34Å; F98-I154 HydrophobicContact CE1-CG2 4.39Å; F98-I154 HydrophobicContact CZ-CD1 3.97Å; F98-I154 HydrophobicContact CZ-CG1 4.32Å; F98-I154 HydrophobicContact CZ-CG2 4.04Å; M108-I154 HydrophobicContact CE-CG2 3.9Å; M108-I154 HydrophobicContact SD-CG2 3.83Å; F121-I154 HydrophobicContact CZ-CG1 4.48Å; I133-I154 HydrophobicContact CG1-CD1 4.47Å; I133-I154 HydrophobicContact CG2-CD1 3.97Å; G137-I154 WeakPolarHBondContact O-CD1 3.19Å; R138-I154 WeakPolarHBondContact O-CB 3.38Å; R138-I154 PolarHBondContact O-N 2.79Å; L140-I154 HydrophobicContact CB-CD1 4.15Å; L140-I154 HydrophobicContact CB-CG1 3.78Å
155	E	97.4	Very high	97.9	Very high	171 Å²	171	55.3 Å²	55.3	80%	0.799	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-42.8	-175.5	-175.1	178.7	175.3	0	0	111.9	Q119	Q119-E155 PolarHBondContact NE2-O 3.24Å
156	S	97.9	Very high	97.5	Very high	55 Å²	55	55.6 Å²	55.6	39%	0.385	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-6.7	-177.6	66.4	0	0	0	0	114.9	D153 K158	D153-S156 WeakPolarHBondContact CB-OG 3.49Å; D153-S156 WeakPolarHBondContact OD1-CB 3.46Å; D153-S156 PolarHBondContact OD1-N 2.96Å; D153-S156 PolarHBondContact OD1-OG 3.14Å; S156-K158 PolarHBondContact O-N 3.15Å
157	A	98.3	Very high	97.1	Very high	18 Å²	18	64.8 Å²	64.8	15%	0.149	31%	0.313	C	S	.	.			trans	53.8	18.6	-171.1	0	0	0	0	0	115	Q119 F121 D153	Q119-A157 HydrophobicContact CB-CB 4.37Å; F121-A157 HydrophobicContact CD1-CB 4.05Å; F121-A157 HydrophobicContact CE1-CB 4.01Å; D153-A157 WeakPolarHBondContact O-CA 3.47Å; D153-A157 PolarHBondContact O-N 3.25Å
158	K	98.3	Very high	96.8	Very high	145 Å²	145	63 Å²	63	63%	0.63	30%	0.303	S	S	*	.			trans	-83.7	134	-178.9	-70.7	-178.1	-179.7	176.3	0	111.4	W152 D153 S156 E160	W152-K158 VanDerWaalsContact CA-O 3.29Å; W152-K158 WeakPolarHBondContact CA-O 3.28Å; D153-K158 PolarHBondContact N-O 3.15Å; S156-K158 PolarHBondContact O-N 3.15Å; K158-E160 PolarHBondContact O-N 3.33Å
159	C	98.4	Very high	96.8	Very high	54 Å²	54	62.1 Å²	62.1	37%	0.365	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	110.5	168	-168.3	0	0	0	0	109.3	W152 H161	W152-C159 HydrophobicContact CD2-CB 4.21Å; W152-C159 HydrophobicContact CE3-CB 3.6Å; W152-C159 HydrophobicContact CH2-CB 4.02Å; W152-C159 HydrophobicContact CZ3-CB 3.51Å; C159-H161 PolarHBondContact SG-O 3.33Å; C159-H161 VanDerWaalsContact SG-O 3.37Å
160	E	98.1	Very high	96.8	Very high	86 Å²	86	62.1 Å²	62.1	40%	0.402	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-40.6	178	-64.3	-174.7	144.1	0	0	111	K139 L151 D153 K158	K139-E160 WeakPolarHBondContact CD-OE2 3.41Å; K139-E160 WeakPolarHBondContact CE-OE2 3.24Å; K139-E160 IonicContact NZ-OE1 3.5Å; K139-E160 PolarHBondContact NZ-OE1 3.23Å; K139-E160 IonicContact NZ-OE2 2.85Å; K139-E160 PolarHBondContact NZ-OE2 3.19Å; L151-E160 PolarHBondContact O-N 3.29Å; D153-E160 HydrophobicContact CB-CG 4.22Å; K158-E160 PolarHBondContact O-N 3.33Å
161	H	97.8	Very high	96.8	Very high	82 Å²	82	62.7 Å²	62.7	38%	0.38	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	144.8	-178.4	-59.5	-48	0	0	0	111.7	C150 L151 C159 W199	C150-H161 CarbonylContact C-O 3.55Å; C150-H161 VanDerWaalsContact CA-O 3.32Å; C150-H161 WeakPolarHBondContact CA-O 3.43Å; L151-H161 HydrophobicContact CB-CB 4.22Å; L151-H161 PolarHBondContact N-O 2.95Å; L151-H161 PolarHBondContact O-N 3.27Å; C159-H161 PolarHBondContact SG-O 3.33Å; C159-H161 VanDerWaalsContact SG-O 3.37Å; H161-W199 HydrophobicContact CB-CB 4Å; H161-W199 VanDerWaalsContact CB-CD1 3.42Å; H161-W199 HydrophobicContact CB-CD2 4.2Å; H161-W199 HydrophobicContact CB-CG 3.6Å
162	R	96.9	Very high	96.8	Very high	149 Å²	149	63.5 Å²	63.5	56%	0.562	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.8	135.8	172.5	59	179.4	-83.8	-176.1	-3	109.6	W148 M149	W148-R162 HydrophobicContact CE3-CB 3.69Å; W148-R162 HydrophobicContact CE3-CG 4.02Å; W148-R162 VanDerWaalsContact CH2-NE 3.33Å; W148-R162 HydrophobicContact CZ3-CB 3.91Å; W148-R162 HydrophobicContact CZ3-CG 3.71Å; M149-R162 CarbonylContact O-C 3.54Å; M149-R162 WeakPolarHBondContact O-CA 3.2Å
163	H	97.5	Very high	96.8	Very high	55 Å²	55	63.4 Å²	63.4	26%	0.255	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	128.5	179.3	-164.8	102.9	0	0	0	110.4	W148 M149 W194	W148-H163 WeakPolarHBondContact CA-O 3.26Å; W148-H163 VanDerWaalsContact CE3-C 3.42Å; M149-H163 PolarHBondContact N-O 2.79Å; M149-H163 PolarHBondContact O-N 2.86Å; H163-W194 HydrophobicContact CB-CH2 3.94Å; H163-W194 HydrophobicContact CB-CZ3 3.72Å; H163-W194 AromaticContact CD2-CH2 3.59Å; H163-W194 AromaticContact CD2-CZ3 3.76Å; H163-W194 AromaticContact CG-CH2 3.88Å; H163-W194 AromaticContact CG-CZ3 3.66Å
164	N	96.6	Very high	96.7	Very high	67 Å²	67	62.8 Å²	62.8	36%	0.358	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132	176.5	-172.6	-65.2	0	0	0	109.8	N147 W148	N147-N164 WeakPolarHBondContact O-CA 3.48Å; W148-N164 HydrophobicContact CD2-CB 3.8Å; W148-N164 VanDerWaalsContact CE2-ND2 3.27Å; W148-N164 HydrophobicContact CE3-CB 3.91Å; W148-N164 HydrophobicContact CG-CB 4.48Å; W148-N164 HydrophobicContact CH2-CB 3.78Å; W148-N164 HydrophobicContact CZ2-CB 3.65Å; W148-N164 HydrophobicContact CZ3-CB 3.89Å; W148-N164 PolarHBondContact NE1-ND2 3.34Å
165	I	94.3	Very high	96.7	Very high	25 Å²	25	63.9 Å²	63.9	13%	0.128	31%	0.312	C	S	.	.			trans	-115.4	121.7	167.8	-57.5	-177.1	0	0	0	108.1	N147 R167 N168 W194 V201	N147-I165 VanDerWaalsContact CB-O 3.28Å; N147-I165 WeakPolarHBondContact CB-O 3.49Å; N147-I165 PolarHBondContact O-N 2.97Å; N147-I165 VanDerWaalsContact O-N 3.07Å; I165-R167 PolarHBondContact O-N 3.31Å; I165-N168 HydrophobicContact CB-CB 3.52Å; I165-N168 HydrophobicContact CG2-CB 3.67Å; I165-N168 WeakPolarHBondContact O-CB 3.44Å; I165-N168 PolarHBondContact O-N 2.95Å; I165-W194 HydrophobicContact CD1-CH2 3.47Å; I165-W194 VanDerWaalsContact CD1-CH2 3.47Å; I165-W194 HydrophobicContact CD1-CZ2 3.31Å; I165-W194 HydrophobicContact CG1-CH2 3.93Å; I165-W194 HydrophobicContact CG1-CZ2 4.2Å; I165-V201 HydrophobicContact CD1-CG2 4.14Å
166	S	90.3	Very high	96.7	Very high	97 Å²	97	56.1 Å²	56.1	68%	0.678	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	133.2	-179.5	-174.2	0	0	0	0	111.9	N168	S166-N168 VanDerWaalsContact C-N 3.28Å; S166-N168 PolarHBondContact O-N 3.47Å
167	R	91	Very high	96.6	Very high	209 Å²	209	55.9 Å²	55.9	79%	0.789	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	30	-179.1	-55.7	-179.5	176.4	177.4	-1.2	114.6	I165 D188	I165-R167 PolarHBondContact O-N 3.31Å; R167-D188 WeakPolarHBondContact O-CB 3.24Å
168	N	91	Very high	96.3	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.305	C	S	.	.			trans	-105.6	72	-176.6	-175.5	45.6	0	0	0	113.1	N147 I165 S166 V170 Q184 S186 R192	N147-N168 WeakPolarHBondContact CA-O 3.44Å; N147-N168 HydrophobicContact CB-CB 4.43Å; N147-N168 VanDerWaalsContact OD1-C 3.3Å; N147-N168 PolarHBondContact OD1-N 3.45Å; I165-N168 HydrophobicContact CB-CB 3.52Å; I165-N168 HydrophobicContact CG2-CB 3.67Å; I165-N168 WeakPolarHBondContact O-CB 3.44Å; I165-N168 PolarHBondContact O-N 2.95Å; S166-N168 VanDerWaalsContact C-N 3.28Å; S166-N168 PolarHBondContact O-N 3.47Å; N168-V170 PolarHBondContact O-N 3.03Å; N168-Q184 PolarHBondContact ND2-OE1 2.75Å; N168-Q184 PolarHBondContact OD1-NE2 2.86Å; N168-S186 WeakPolarHBondContact CA-OG 3.32Å; N168-S186 WeakPolarHBondContact OD1-CB 3.35Å; N168-S186 PolarHBondContact OD1-OG 3.11Å; N168-R192 PolarHBondContact OD1-NH1 3.04Å
169	L	97.4	Very high	96.2	Very high	46 Å²	46	54.7 Å²	54.7	24%	0.241	29%	0.288	C	S	.	.			trans	-70.9	104.7	174.9	-59.9	85.2	0	0	0	108.8	R145 T171 S186 E187	R145-L169 HydrophobicContact CB-CB 4.5Å; R145-L169 HydrophobicContact CB-CD2 4.28Å; L169-T171 PolarHBondContact O-N 3.42Å; L169-S186 PolarHBondContact N-OG 3.5Å; L169-S186 WeakPolarHBondContact O-CA 3.47Å; L169-S186 PolarHBondContact O-OG 3.46Å; L169-E187 HydrophobicContact CB-CB 3.97Å; L169-E187 HydrophobicContact CB-CG 3.83Å; L169-E187 HydrophobicContact CD1-CB 4.41Å; L169-E187 PolarHBondContact O-N 3.4Å
170	V	98.4	Very high	96.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	132.8	-175.9	-177.1	0	0	0	0	109.9	N129 S144 M149 N168 V173 Q184	N129-V170 VanDerWaalsContact CB-O 3.25Å; N129-V170 WeakPolarHBondContact CB-O 3.27Å; N129-V170 PolarHBondContact ND2-O 3.44Å; S144-V170 PolarHBondContact O-N 2.77Å; M149-V170 HydrophobicContact CG-CG2 4.32Å; N168-V170 PolarHBondContact O-N 3.03Å; V170-V173 HydrophobicContact CG1-CG2 3.69Å; V170-Q184 HydrophobicContact CG1-CG 3.87Å; V170-Q184 HydrophobicContact CG2-CG 4.25Å
171	T	98.4	Very high	96.1	Very high	17 Å²	17	54.6 Å²	54.6	10%	0.104	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-37.6	-178.5	49.3	0	0	0	0	112.2	K87 N129 L169 T185 S186 E187 I211 Q212	K87-T171 PolarHBondContact NZ-O 3.38Å; N129-T171 VanDerWaalsContact O-O 3.11Å; L169-T171 PolarHBondContact O-N 3.42Å; T171-T185 PolarHBondContact N-O 3.1Å; T171-T185 VanDerWaalsContact N-O 3.1Å; T171-T185 WeakPolarHBondContact OG1-CB 3.39Å; T171-T185 PolarHBondContact OG1-O 2.97Å; T171-T185 PolarHBondContact OG1-OG1 2.95Å; T171-T185 VanDerWaalsContact OG1-OG1 3.06Å; T171-S186 PolarHBondContact OG1-N 2.8Å; T171-E187 HydrophobicContact CG2-CG 3.69Å; T171-I211 HydrophobicContact CG2-CG2 4.19Å; T171-Q212 WeakPolarHBondContact CB-O 3.45Å; T171-Q212 WeakPolarHBondContact CG2-O 3.38Å; T171-Q212 PolarHBondContact OG1-O 2.87Å
172	H	98.6	Very high	96.1	Very high	21 Å²	21	50.7 Å²	50.7	10%	0.097	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	154.7	176.2	-160	-80.2	0	0	0	111.7	K87 Q184 T185 H214 C215	K87-H172 WeakPolarHBondContact CE-CD2 3.47Å; K87-H172 WeakPolarHBondContact CE-NE2 3.5Å; K87-H172 PolarHBondContact NZ-CD2 3.28Å; H172-Q184 WeakPolarHBondContact O-CA 3.31Å; H172-T185 WeakPolarHBondContact CB-OG1 3.36Å; H172-T185 PolarHBondContact N-OG1 2.83Å; H172-T185 PolarHBondContact O-N 3.19Å; H172-T185 PolarHBondContact O-OG1 2.96Å; H172-H214 AromaticContact CD2-CD2 3.1Å; H172-H214 PolarHBondContact CD2-CD2 2.84Å; H172-H214 AromaticContact CD2-CG 3.69Å; H172-H214 AromaticContact CD2-NE2 3.52Å; H172-H214 AromaticContact CE1-NE2 3.83Å; H172-H214 AromaticContact CG-CD2 3.97Å; H172-H214 AromaticContact NE2-CD2 3.33Å; H172-H214 PolarHBondContact NE2-CD2 3.24Å; H172-H214 VanDerWaalsContact NE2-CD2 3.33Å; H172-H214 AromaticContact NE2-CE1 3.87Å; H172-H214 AromaticContact NE2-NE2 3.18Å; H172-H214 PolarHBondContact NE2-NE2 2.84Å; H172-H214 VanDerWaalsContact NE2-NE2 3.18Å; H172-C215 PolarHBondContact CE1-O 2.87Å; H172-C215 PolarHBondContact ND1-O 3.04Å
173	V	98.6	Very high	96.2	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	138.8	175.2	-177.6	0	0	0	0	108.4	A132 M149 V170 V182 V183 Q184	A132-V173 HydrophobicContact CB-CG1 3.9Å; M149-V173 HydrophobicContact CE-CG1 4.31Å; M149-V173 HydrophobicContact CE-CG2 3.71Å; M149-V173 HydrophobicContact SD-CG2 4.06Å; V170-V173 HydrophobicContact CG1-CG2 3.69Å; V173-V182 HydrophobicContact CG1-CG1 3.33Å; V173-V183 CarbonylContact C-O 3.58Å; V173-V183 VanDerWaalsContact CA-O 3.26Å; V173-V183 WeakPolarHBondContact CA-O 3.43Å; V173-Q184 HydrophobicContact CG2-CG 4.4Å
174	C	97.9	Very high	96.2	Very high	17 Å²	17	41 Å²	41	12%	0.115	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	147.9	169.2	60	0	0	0	0	110.7	V183	C174-V183 PolarHBondContact N-O 2.95Å; C174-V183 PolarHBondContact O-N 2.97Å
175	W	98.2	Very high	96.3	Very high	27 Å²	27	37.8 Å²	37.8	10%	0.102	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	139.1	176.4	-147.7	-65.9	0	0	0	109.7	A132 I133 S134 P135 K139 C141 L151 P177 S179 V182 S196	A132-W175 HydrophobicContact CB-CB 4.27Å; A132-W175 HydrophobicContact CB-CE3 4.49Å; I133-W175 VanDerWaalsContact C-CE3 3.48Å; I133-W175 WeakPolarHBondContact O-CB 3.47Å; S134-W175 VanDerWaalsContact CA-CD2 3.5Å; S134-W175 VanDerWaalsContact CA-CE3 3.49Å; S134-W175 VanDerWaalsContact CB-CH2 3.41Å; S134-W175 VanDerWaalsContact CB-CZ2 3.49Å; S134-W175 VanDerWaalsContact N-CE3 3.34Å; P135-W175 VanDerWaalsContact CD-CD1 3.41Å; P135-W175 VanDerWaalsContact CD-NE1 3.3Å; K139-W175 HydrophobicContact CB-CH2 3.98Å; K139-W175 HydrophobicContact CB-CZ3 4.27Å; C141-W175 HydrophobicContact CB-CE3 4.19Å; C141-W175 HydrophobicContact CB-CZ3 3.92Å; L151-W175 HydrophobicContact CD1-CH2 3.88Å; L151-W175 HydrophobicContact CD1-CZ3 3.98Å; W175-P177 WeakPolarHBondContact O-CD 3.47Å; W175-S179 PolarHBondContact NE1-O 2.99Å; W175-V182 HydrophobicContact CD2-CG2 3.61Å; W175-V182 HydrophobicContact CE3-CG2 3.69Å; W175-V182 HydrophobicContact CG-CG2 4.17Å; W175-V182 HydrophobicContact CH2-CG2 4.19Å; W175-V182 HydrophobicContact CZ2-CG2 4.15Å; W175-V182 HydrophobicContact CZ3-CG2 3.99Å; W175-S196 VanDerWaalsContact CZ2-CB 3.45Å; W175-S196 WeakPolarHBondContact CZ2-OG 3.48Å
176	V	97.8	Very high	96.5	Very high	8 Å²	8	36.6 Å²	36.6	5%	0.048	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-73.2	122.8	174.1	177.8	0	0	0	0	108.9	A178 S179 S181 V183 V217 L243	V176-A178 PolarHBondContact O-N 3.16Å; V176-S179 PolarHBondContact O-N 2.81Å; V176-S181 WeakPolarHBondContact CB-O 3.43Å; V176-S181 WeakPolarHBondContact CG2-O 3.36Å; V176-S181 PolarHBondContact N-O 3.41Å; V176-V183 HydrophobicContact CG2-CG2 3.84Å; V176-V217 HydrophobicContact CG1-CG1 4.17Å; V176-V217 HydrophobicContact CG2-CG1 4.46Å; V176-V217 HydrophobicContact CG2-CG2 4.28Å; V176-L243 HydrophobicContact CG2-CD1 4.38Å
177	P	95.2	Very high	96.8	Very high	49 Å²	49	34.6 Å²	34.6	32%	0.318	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	137.3	-179	-28.2	35.8	0	0	0	112.8	W175 S179 V217	W175-P177 WeakPolarHBondContact O-CD 3.47Å; P177-S179 PolarHBondContact O-N 2.9Å; P177-V217 HydrophobicContact CG-CG1 4.5Å
178	A	92.8	Very high	97.1	Very high	101 Å²	101	26.4 Å²	26.4	84%	0.835	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	26.7	179.2	0	0	0	0	0	115.2	V176	V176-A178 PolarHBondContact O-N 3.16Å
179	S	95.5	Very high	97.3	Very high	37 Å²	37	30.5 Å²	30.5	26%	0.259	17%	0.173	S	C	.	.	S	Bend	trans	-132	165.5	-177.2	-180	0	0	0	0	112.3	W175 V176 P177 S181	W175-S179 PolarHBondContact NE1-O 2.99Å; V176-S179 PolarHBondContact O-N 2.81Å; P177-S179 PolarHBondContact O-N 2.9Å; S179-S181 PolarHBondContact O-N 3.16Å; S179-S181 PolarHBondContact OG-N 3.33Å; S179-S181 PolarHBondContact OG-OG 3.42Å
180	F	96.6	Very high	97.3	Very high	110 Å²	110	28.9 Å²	28.9	48%	0.482	17%	0.165	S	C	.	.	S	Bend	trans	-92.9	28.4	169.6	-58	-69.1	0	0	0	111.6	D195 S196 R197	F180-D195 CarbonylContact O-C 3.56Å; F180-D195 WeakPolarHBondContact O-CA 3.39Å; F180-S196 WeakPolarHBondContact CA-OG 3.49Å; F180-S196 PolarHBondContact O-N 2.88Å; F180-S196 PolarHBondContact O-OG 2.87Å; F180-R197 HydrophobicContact CB-CG 4.11Å; F180-R197 HydrophobicContact CD1-CG 4.04Å; F180-R197 HydrophobicContact CG-CG 4.04Å
181	S	97.4	Very high	97.2	Very high	28 Å²	28	29 Å²	29	20%	0.196	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	138.4	-177.1	-62.8	0	0	0	0	111.9	V176 S179 W194	V176-S181 WeakPolarHBondContact CB-O 3.43Å; V176-S181 WeakPolarHBondContact CG2-O 3.36Å; V176-S181 PolarHBondContact N-O 3.41Å; S179-S181 PolarHBondContact O-N 3.16Å; S179-S181 PolarHBondContact OG-N 3.33Å; S179-S181 PolarHBondContact OG-OG 3.42Å; S181-W194 CarbonylContact C-O 3.58Å; S181-W194 WeakPolarHBondContact CA-O 3.4Å
182	V	98.4	Very high	97.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.8	173.5	-179	0	0	0	0	108.9	C141 V173 W175 V193 W194	C141-V182 HydrophobicContact CB-CG1 4.49Å; C141-V182 HydrophobicContact CB-CG2 4.49Å; V173-V182 HydrophobicContact CG1-CG1 3.33Å; W175-V182 HydrophobicContact CD2-CG2 3.61Å; W175-V182 HydrophobicContact CE3-CG2 3.69Å; W175-V182 HydrophobicContact CG-CG2 4.17Å; W175-V182 HydrophobicContact CH2-CG2 4.19Å; W175-V182 HydrophobicContact CZ2-CG2 4.15Å; W175-V182 HydrophobicContact CZ3-CG2 3.99Å; V182-V193 CarbonylContact O-C 3.54Å; V182-V193 WeakPolarHBondContact O-CA 3.37Å; V182-W194 HydrophobicContact CB-CB 4.3Å; V182-W194 PolarHBondContact N-O 3.35Å; V182-W194 PolarHBondContact O-N 3.06Å
183	V	98.4	Very high	97.1	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	137.6	173.4	-177.3	0	0	0	0	109.7	V173 C174 V176 I191 R192 V193 C215 V217 L224 L243	V173-V183 CarbonylContact C-O 3.58Å; V173-V183 VanDerWaalsContact CA-O 3.26Å; V173-V183 WeakPolarHBondContact CA-O 3.43Å; C174-V183 PolarHBondContact N-O 2.95Å; C174-V183 PolarHBondContact O-N 2.97Å; V176-V183 HydrophobicContact CG2-CG2 3.84Å; V183-I191 HydrophobicContact CG1-CG2 3.59Å; V183-R192 CarbonylContact C-O 3.6Å; V183-R192 WeakPolarHBondContact CA-O 3.42Å; V183-V193 HydrophobicContact CG2-CG2 4.49Å; V183-C215 HydrophobicContact CG1-CB 4.26Å; V183-V217 HydrophobicContact CG2-CG2 3.98Å; V183-L224 HydrophobicContact CB-CD1 4.5Å; V183-L224 HydrophobicContact CG1-CD1 3.76Å; V183-L224 HydrophobicContact CG1-CD2 3.95Å; V183-L224 HydrophobicContact CG2-CD1 4.46Å; V183-L243 HydrophobicContact CG2-CD2 4.44Å
184	Q	98.2	Very high	97.1	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.5	179.3	176.6	-111.9	-53	0	0	110.5	M149 N168 V170 H172 V173 I191 R192	M149-Q184 HydrophobicContact CG-CG 4.46Å; M149-Q184 HydrophobicContact SD-CB 3.95Å; M149-Q184 HydrophobicContact SD-CG 3.67Å; N168-Q184 PolarHBondContact ND2-OE1 2.75Å; N168-Q184 PolarHBondContact OD1-NE2 2.86Å; V170-Q184 HydrophobicContact CG1-CG 3.87Å; V170-Q184 HydrophobicContact CG2-CG 4.25Å; H172-Q184 WeakPolarHBondContact O-CA 3.31Å; V173-Q184 HydrophobicContact CG2-CG 4.4Å; Q184-I191 CarbonylContact O-C 3.55Å; Q184-I191 VanDerWaalsContact O-CA 3.29Å; Q184-I191 WeakPolarHBondContact O-CA 3.33Å; Q184-I191 WeakPolarHBondContact O-CG2 3.41Å; Q184-R192 PolarHBondContact N-O 2.76Å; Q184-R192 PolarHBondContact O-N 2.87Å
185	T	98.4	Very high	97.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	158.4	170.4	50.1	0	0	0	0	111	T171 H172 I191 Q212 C215	T171-T185 PolarHBondContact N-O 3.1Å; T171-T185 VanDerWaalsContact N-O 3.1Å; T171-T185 WeakPolarHBondContact OG1-CB 3.39Å; T171-T185 PolarHBondContact OG1-O 2.97Å; T171-T185 PolarHBondContact OG1-OG1 2.95Å; T171-T185 VanDerWaalsContact OG1-OG1 3.06Å; H172-T185 WeakPolarHBondContact CB-OG1 3.36Å; H172-T185 PolarHBondContact N-OG1 2.83Å; H172-T185 PolarHBondContact O-N 3.19Å; H172-T185 PolarHBondContact O-OG1 2.96Å; T185-I191 HydrophobicContact CG2-CG1 4.19Å; T185-I191 HydrophobicContact CG2-CG2 4.11Å; T185-Q212 HydrophobicContact CG2-CB 3.86Å; T185-C215 HydrophobicContact CG2-CB 3.58Å
186	S	97.6	Very high	97	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	159.7	-174.6	169.7	0	0	0	0	115.2	N168 L169 T171 D188 K189 T190 Q212	N168-S186 WeakPolarHBondContact CA-OG 3.32Å; N168-S186 WeakPolarHBondContact OD1-CB 3.35Å; N168-S186 PolarHBondContact OD1-OG 3.11Å; L169-S186 PolarHBondContact N-OG 3.5Å; L169-S186 WeakPolarHBondContact O-CA 3.47Å; L169-S186 PolarHBondContact O-OG 3.46Å; T171-S186 PolarHBondContact OG1-N 2.8Å; S186-D188 VanDerWaalsContact CB-OD1 3.29Å; S186-D188 WeakPolarHBondContact CB-OD1 3.44Å; S186-D188 PolarHBondContact O-N 3.32Å; S186-D188 PolarHBondContact OG-N 3Å; S186-D188 PolarHBondContact OG-OD1 3.33Å; S186-K189 PolarHBondContact O-N 3.15Å; S186-T190 PolarHBondContact N-O 2.99Å; S186-Q212 PolarHBondContact O-N 2.81Å
187	E	97.3	Very high	96.9	Very high	56 Å²	56	35.8 Å²	35.8	26%	0.262	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-14.2	168.2	-57.4	-172.1	-154.3	0	0	113.4	R145 L169 T171 K189 I211	R145-E187 IonicContact CZ-OE1 2.78Å; R145-E187 IonicContact NE-OE1 3.45Å; R145-E187 PolarHBondContact NE-OE1 3.39Å; R145-E187 VanDerWaalsContact NE-OE1 3.15Å; R145-E187 IonicContact NH2-OE1 3.64Å; R145-E187 PolarHBondContact NH2-OE1 3.41Å; R145-E187 IonicContact NH2-OE2 3.23Å; R145-E187 PolarHBondContact NH2-OE2 3.18Å; L169-E187 HydrophobicContact CB-CB 3.97Å; L169-E187 HydrophobicContact CB-CG 3.83Å; L169-E187 HydrophobicContact CD1-CB 4.41Å; L169-E187 PolarHBondContact O-N 3.4Å; T171-E187 HydrophobicContact CG2-CG 3.69Å; E187-K189 PolarHBondContact O-N 3.22Å; E187-I211 HydrophobicContact CB-CD1 3.85Å; E187-I211 HydrophobicContact CB-CG1 4.21Å; E187-I211 HydrophobicContact CB-CG2 4.2Å; E187-I211 HydrophobicContact CG-CD1 4.03Å; E187-I211 HydrophobicContact CG-CG2 4.01Å; E187-I211 WeakPolarHBondContact O-CG1 3.49Å
188	D	96.1	Very high	97	Very high	36 Å²	36	36.4 Å²	36.4	19%	0.193	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	2.6	169.2	81.2	-6.1	0	0	0	113.6	R167 S186 T190 R192	R167-D188 WeakPolarHBondContact O-CB 3.24Å; S186-D188 VanDerWaalsContact CB-OD1 3.29Å; S186-D188 WeakPolarHBondContact CB-OD1 3.44Å; S186-D188 PolarHBondContact O-N 3.32Å; S186-D188 PolarHBondContact OG-N 3Å; S186-D188 PolarHBondContact OG-OD1 3.33Å; D188-T190 VanDerWaalsContact CG-OG1 3.24Å; D188-T190 PolarHBondContact O-N 2.83Å; D188-T190 WeakPolarHBondContact OD1-CB 3.09Å; D188-T190 PolarHBondContact OD1-N 2.91Å; D188-T190 PolarHBondContact OD1-OG1 3.3Å; D188-T190 PolarHBondContact OD2-OG1 3.42Å; D188-R192 IonicContact OD1-NH1 3.4Å; D188-R192 IonicContact OD2-CZ 3.22Å; D188-R192 VanDerWaalsContact OD2-CZ 3.23Å; D188-R192 IonicContact OD2-NH1 2.77Å; D188-R192 PolarHBondContact OD2-NH1 3.17Å; D188-R192 IonicContact OD2-NH2 3.42Å; D188-R192 PolarHBondContact OD2-NH2 3.1Å
189	K	96.4	Very high	97.2	Very high	86 Å²	86	32 Å²	32	37%	0.374	16%	0.157	S	C	.	.	S	Bend	trans	71.6	12.6	175.7	-43.7	171.6	-179.9	-167.9	0	114.1	S186 E187 K208 Q209 Y210 I211	S186-K189 PolarHBondContact O-N 3.15Å; E187-K189 PolarHBondContact O-N 3.22Å; K189-K208 VanDerWaalsContact CB-O 3.25Å; K189-K208 WeakPolarHBondContact CB-O 3.48Å; K189-K208 VanDerWaalsContact CD-O 3.26Å; K189-K208 WeakPolarHBondContact CD-O 3.36Å; K189-K208 PolarHBondContact O-N 2.96Å; K189-Q209 WeakPolarHBondContact CD-O 3.41Å; K189-Q209 VanDerWaalsContact CE-O 3.31Å; K189-Q209 WeakPolarHBondContact CE-O 3.22Å; K189-Q209 PolarHBondContact NZ-O 3.2Å; K189-Y210 WeakPolarHBondContact CB-O 3.42Å; K189-I211 HydrophobicContact CG-CG1 4.44Å
190	T	96.2	Very high	97.2	Very high	13 Å²	13	35.2 Å²	35.2	8%	0.08	17%	0.168	C	C	.	.			trans	-108	165.7	178.8	72.9	0	0	0	0	111.9	S186 D188 R192 A207	S186-T190 PolarHBondContact N-O 2.99Å; D188-T190 VanDerWaalsContact CG-OG1 3.24Å; D188-T190 PolarHBondContact O-N 2.83Å; D188-T190 WeakPolarHBondContact OD1-CB 3.09Å; D188-T190 PolarHBondContact OD1-N 2.91Å; D188-T190 PolarHBondContact OD1-OG1 3.3Å; D188-T190 PolarHBondContact OD2-OG1 3.42Å; T190-R192 PolarHBondContact OG1-NH1 2.85Å; T190-R192 PolarHBondContact OG1-NH2 3.27Å; T190-A207 HydrophobicContact CG2-CB 3.88Å
191	I	97.4	Very high	97.2	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.5	170.4	-44.3	170.5	0	0	0	106.7	V183 Q184 T185 T204 F205 Q212 L224 S226 W241	V183-I191 HydrophobicContact CG1-CG2 3.59Å; Q184-I191 CarbonylContact O-C 3.55Å; Q184-I191 VanDerWaalsContact O-CA 3.29Å; Q184-I191 WeakPolarHBondContact O-CA 3.33Å; Q184-I191 WeakPolarHBondContact O-CG2 3.41Å; T185-I191 HydrophobicContact CG2-CG1 4.19Å; T185-I191 HydrophobicContact CG2-CG2 4.11Å; I191-T204 WeakPolarHBondContact O-CA 3.4Å; I191-F205 HydrophobicContact CB-CB 4.17Å; I191-F205 HydrophobicContact CB-CD2 3.98Å; I191-F205 HydrophobicContact CB-CG 4.4Å; I191-F205 HydrophobicContact CG2-CD2 4.23Å; I191-F205 PolarHBondContact O-N 3.35Å; I191-Q212 HydrophobicContact CD1-CG 4.46Å; I191-Q212 HydrophobicContact CG1-CB 4.42Å; I191-Q212 HydrophobicContact CG1-CG 3.87Å; I191-L224 HydrophobicContact CG2-CD2 3.98Å; I191-S226 VanDerWaalsContact CD1-CB 3.47Å; I191-S226 VanDerWaalsContact CD1-OG 3.25Å; I191-S226 WeakPolarHBondContact CD1-OG 3.35Å; I191-W241 HydrophobicContact CD1-CZ2 3.9Å
192	R	97.4	Very high	97.1	Very high	28 Å²	28	35 Å²	35	11%	0.106	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	144.1	-179.3	-65.8	-173.1	178.8	84.4	4.2	110.9	N168 V183 Q184 D188 T190 V201 N203 T204	N168-R192 PolarHBondContact OD1-NH1 3.04Å; V183-R192 CarbonylContact C-O 3.6Å; V183-R192 WeakPolarHBondContact CA-O 3.42Å; Q184-R192 PolarHBondContact N-O 2.76Å; Q184-R192 PolarHBondContact O-N 2.87Å; D188-R192 IonicContact OD1-NH1 3.4Å; D188-R192 IonicContact OD2-CZ 3.22Å; D188-R192 VanDerWaalsContact OD2-CZ 3.23Å; D188-R192 IonicContact OD2-NH1 2.77Å; D188-R192 PolarHBondContact OD2-NH1 3.17Å; D188-R192 IonicContact OD2-NH2 3.42Å; D188-R192 PolarHBondContact OD2-NH2 3.1Å; T190-R192 PolarHBondContact OG1-NH1 2.85Å; T190-R192 PolarHBondContact OG1-NH2 3.27Å; R192-V201 HydrophobicContact CB-CG1 4.13Å; R192-V201 HydrophobicContact CG-CG1 4.21Å; R192-N203 CarbonylContact C-O 3.39Å; R192-N203 WeakPolarHBondContact CA-O 3.45Å; R192-T204 HydrophobicContact CG-CG2 4.14Å
193	V	97.9	Very high	97	Very high	11 Å²	11	36.3 Å²	36.3	7%	0.067	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.2	168.6	-169.5	0	0	0	0	107.7	V182 V183 V201 T202 N203 F205 L243	V182-V193 CarbonylContact O-C 3.54Å; V182-V193 WeakPolarHBondContact O-CA 3.37Å; V183-V193 HydrophobicContact CG2-CG2 4.49Å; V193-V201 CarbonylContact O-C 3.34Å; V193-V201 WeakPolarHBondContact O-CA 3.3Å; V193-T202 PolarHBondContact O-N 3.36Å; V193-T202 PolarHBondContact O-OG1 3.26Å; V193-N203 HydrophobicContact CB-CB 4.04Å; V193-N203 HydrophobicContact CG2-CB 4.1Å; V193-N203 PolarHBondContact N-O 3.04Å; V193-N203 PolarHBondContact O-N 3.36Å; V193-F205 HydrophobicContact CG2-CE2 3.78Å; V193-L243 HydrophobicContact CG2-CD2 4.21Å
194	W	98	Very high	96.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	141.5	-179.8	-59	76.9	0	0	0	109.3	M149 H163 I165 S181 V182 Q200 V201	M149-W194 HydrophobicContact CB-CH2 4.07Å; M149-W194 HydrophobicContact CB-CZ2 4.06Å; M149-W194 HydrophobicContact CG-CH2 4.14Å; M149-W194 HydrophobicContact CG-CZ2 3.63Å; M149-W194 HydrophobicContact SD-CZ2 4.3Å; H163-W194 HydrophobicContact CB-CH2 3.94Å; H163-W194 HydrophobicContact CB-CZ3 3.72Å; H163-W194 AromaticContact CD2-CH2 3.59Å; H163-W194 AromaticContact CD2-CZ3 3.76Å; H163-W194 AromaticContact CG-CH2 3.88Å; H163-W194 AromaticContact CG-CZ3 3.66Å; I165-W194 HydrophobicContact CD1-CH2 3.47Å; I165-W194 VanDerWaalsContact CD1-CH2 3.47Å; I165-W194 HydrophobicContact CD1-CZ2 3.31Å; I165-W194 HydrophobicContact CG1-CH2 3.93Å; I165-W194 HydrophobicContact CG1-CZ2 4.2Å; S181-W194 CarbonylContact C-O 3.58Å; S181-W194 WeakPolarHBondContact CA-O 3.4Å; V182-W194 HydrophobicContact CB-CB 4.3Å; V182-W194 PolarHBondContact N-O 3.35Å; V182-W194 PolarHBondContact O-N 3.06Å; W194-Q200 CarbonylContact C-O 3.54Å; W194-Q200 WeakPolarHBondContact CA-O 3.25Å; W194-V201 HydrophobicContact CD2-CG2 3.85Å; W194-V201 HydrophobicContact CE3-CG2 3.79Å; W194-V201 HydrophobicContact CH2-CG2 3.77Å; W194-V201 HydrophobicContact CZ2-CG2 3.81Å; W194-V201 HydrophobicContact CZ3-CG2 3.75Å
195	D	97.5	Very high	96.6	Very high	15 Å²	15	39.7 Å²	39.7	8%	0.08	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	119.6	164.2	171.7	83.4	0	0	0	109	F180 R197 S198 W199 Q200 T202	F180-D195 CarbonylContact O-C 3.56Å; F180-D195 WeakPolarHBondContact O-CA 3.39Å; D195-R197 PolarHBondContact O-N 3.22Å; D195-R197 IonicContact OD1-CZ 3.7Å; D195-R197 IonicContact OD1-NE 3.61Å; D195-R197 PolarHBondContact OD1-NE 2.97Å; D195-R197 IonicContact OD1-NH2 2.79Å; D195-R197 PolarHBondContact OD1-NH2 2.91Å; D195-R197 WeakPolarHBondContact OD2-CB 3.48Å; D195-R197 PolarHBondContact OD2-N 3.37Å; D195-R197 IonicContact OD2-NE 3.94Å; D195-S198 WeakPolarHBondContact OD2-CB 3.26Å; D195-S198 PolarHBondContact OD2-N 3.09Å; D195-S198 PolarHBondContact OD2-OG 3.3Å; D195-W199 WeakPolarHBondContact O-CA 3.4Å; D195-W199 PolarHBondContact O-N 3.39Å; D195-Q200 PolarHBondContact N-O 2.9Å; D195-T202 HydrophobicContact CB-CG2 3.54Å
196	S	96.9	Very high	96.3	Very high	15 Å²	15	43.3 Å²	43.3	11%	0.105	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-11.3	-173.8	71.6	0	0	0	0	113.7	L151 W175 F180	L151-S196 WeakPolarHBondContact CD2-O 3.2Å; W175-S196 VanDerWaalsContact CZ2-CB 3.45Å; W175-S196 WeakPolarHBondContact CZ2-OG 3.48Å; F180-S196 WeakPolarHBondContact CA-OG 3.49Å; F180-S196 PolarHBondContact O-N 2.88Å; F180-S196 PolarHBondContact O-OG 2.87Å
197	R	96.1	Very high	96.1	Very high	165 Å²	165	46.8 Å²	46.8	62%	0.623	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-38.7	-178.6	-60.6	167.5	-66.3	177	-0	111.8	F180 D195	F180-R197 HydrophobicContact CB-CG 4.11Å; F180-R197 HydrophobicContact CD1-CG 4.04Å; F180-R197 HydrophobicContact CG-CG 4.04Å; D195-R197 PolarHBondContact O-N 3.22Å; D195-R197 IonicContact OD1-CZ 3.7Å; D195-R197 IonicContact OD1-NE 3.61Å; D195-R197 PolarHBondContact OD1-NE 2.97Å; D195-R197 IonicContact OD1-NH2 2.79Å; D195-R197 PolarHBondContact OD1-NH2 2.91Å; D195-R197 WeakPolarHBondContact OD2-CB 3.48Å; D195-R197 PolarHBondContact OD2-N 3.37Å; D195-R197 IonicContact OD2-NE 3.94Å
198	S	96.3	Very high	95.9	Very high	62 Å²	62	45.7 Å²	45.7	43%	0.434	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-14.6	177.4	60.2	0	0	0	0	113.4	D195 Q200	D195-S198 WeakPolarHBondContact OD2-CB 3.26Å; D195-S198 PolarHBondContact OD2-N 3.09Å; D195-S198 PolarHBondContact OD2-OG 3.3Å; S198-Q200 PolarHBondContact O-N 2.82Å
199	W	97.1	Very high	95.9	Very high	8 Å²	8	50.8 Å²	50.8	3%	0.03	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	38.9	-174.5	-158.5	-119.4	0	0	0	113.8	C141 M149 L151 H161 D195	C141-W199 VanDerWaalsContact SG-CH2 3.57Å; M149-W199 HydrophobicContact CB-CH2 4.36Å; M149-W199 HydrophobicContact CB-CZ2 3.68Å; M149-W199 PolarHBondContact O-NE1 3.37Å; L151-W199 HydrophobicContact CB-CD2 4.22Å; L151-W199 HydrophobicContact CB-CE3 4.09Å; L151-W199 HydrophobicContact CB-CH2 3.96Å; L151-W199 HydrophobicContact CB-CZ2 4.06Å; L151-W199 HydrophobicContact CB-CZ3 3.99Å; L151-W199 HydrophobicContact CD1-CH2 4.3Å; L151-W199 HydrophobicContact CD1-CZ3 3.94Å; L151-W199 HydrophobicContact CD2-CE3 4.21Å; L151-W199 HydrophobicContact CD2-CZ3 4.44Å; L151-W199 HydrophobicContact CG-CZ3 4.35Å; H161-W199 HydrophobicContact CB-CB 4Å; H161-W199 VanDerWaalsContact CB-CD1 3.42Å; H161-W199 HydrophobicContact CB-CD2 4.2Å; H161-W199 HydrophobicContact CB-CG 3.6Å; D195-W199 WeakPolarHBondContact O-CA 3.4Å; D195-W199 PolarHBondContact O-N 3.39Å
200	Q	96.1	Very high	95.9	Very high	104 Å²	104	49.3 Å²	49.3	49%	0.486	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	150.1	176.8	-61.6	-58	-45	0	0	110.9	W194 D195 S198 T202	W194-Q200 CarbonylContact C-O 3.54Å; W194-Q200 WeakPolarHBondContact CA-O 3.25Å; D195-Q200 PolarHBondContact N-O 2.9Å; S198-Q200 PolarHBondContact O-N 2.82Å; Q200-T202 PolarHBondContact O-N 3.29Å
201	V	96.8	Very high	96	Very high	47 Å²	47	50.4 Å²	50.4	29%	0.285	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	115.2	169.6	179.8	0	0	0	0	108.4	I165 R192 V193 W194 N203 T204	I165-V201 HydrophobicContact CD1-CG2 4.14Å; R192-V201 HydrophobicContact CB-CG1 4.13Å; R192-V201 HydrophobicContact CG-CG1 4.21Å; V193-V201 CarbonylContact O-C 3.34Å; V193-V201 WeakPolarHBondContact O-CA 3.3Å; W194-V201 HydrophobicContact CD2-CG2 3.85Å; W194-V201 HydrophobicContact CE3-CG2 3.79Å; W194-V201 HydrophobicContact CH2-CG2 3.77Å; W194-V201 HydrophobicContact CZ2-CG2 3.81Å; W194-V201 HydrophobicContact CZ3-CG2 3.75Å; V201-N203 WeakPolarHBondContact CG1-O 3.41Å; V201-T204 WeakPolarHBondContact CG1-OG1 3.35Å
202	T	95.4	Very high	96	Very high	88 Å²	88	50.3 Å²	50.3	54%	0.54	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-25.7	177.5	53.7	0	0	0	0	112.4	V193 D195 Q200	V193-T202 PolarHBondContact O-N 3.36Å; V193-T202 PolarHBondContact O-OG1 3.26Å; D195-T202 HydrophobicContact CB-CG2 3.54Å; Q200-T202 PolarHBondContact O-N 3.29Å
203	N	94.8	Very high	96	Very high	27 Å²	27	50.2 Å²	50.2	14%	0.144	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	143.6	177.9	-177.5	22.4	0	0	0	111	R192 V193 V201 F205 P246	R192-N203 CarbonylContact C-O 3.39Å; R192-N203 WeakPolarHBondContact CA-O 3.45Å; V193-N203 HydrophobicContact CB-CB 4.04Å; V193-N203 HydrophobicContact CG2-CB 4.1Å; V193-N203 PolarHBondContact N-O 3.04Å; V193-N203 PolarHBondContact O-N 3.36Å; V201-N203 WeakPolarHBondContact CG1-O 3.41Å; N203-F205 WeakPolarHBondContact ND2-CE2 3.49Å; N203-P246 WeakPolarHBondContact ND2-CA 3.36Å; N203-P246 WeakPolarHBondContact ND2-CB 3.44Å
204	T	95.3	Very high	96	Very high	68 Å²	68	50.9 Å²	50.9	42%	0.417	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	118.2	168.4	-61.1	0	0	0	0	108	I191 R192 V201	I191-T204 WeakPolarHBondContact O-CA 3.4Å; R192-T204 HydrophobicContact CG-CG2 4.14Å; V201-T204 WeakPolarHBondContact CG1-OG1 3.35Å
205	F	93.9	Very high	96	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.009	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-68.9	151.7	175.4	-72	-92.9	0	0	0	110.6	I191 V193 N203 A207 L224 W241 L243	I191-F205 HydrophobicContact CB-CB 4.17Å; I191-F205 HydrophobicContact CB-CD2 3.98Å; I191-F205 HydrophobicContact CB-CG 4.4Å; I191-F205 HydrophobicContact CG2-CD2 4.23Å; I191-F205 PolarHBondContact O-N 3.35Å; V193-F205 HydrophobicContact CG2-CE2 3.78Å; N203-F205 WeakPolarHBondContact ND2-CE2 3.49Å; F205-A207 PolarHBondContact O-N 3.46Å; F205-L224 HydrophobicContact CD2-CD2 4.46Å; F205-L224 HydrophobicContact CE2-CD2 3.86Å; F205-L224 HydrophobicContact CZ-CD2 4.11Å; F205-W241 HydrophobicContact CB-CZ3 4.42Å; F205-W241 HydrophobicContact CD1-CB 4.41Å; F205-W241 AromaticContact CD1-CD2 3.85Å; F205-W241 HydrophobicContact CD1-CD2 3.85Å; F205-W241 AromaticContact CD1-CE3 3.43Å; F205-W241 HydrophobicContact CD1-CE3 3.43Å; F205-W241 VanDerWaalsContact CD1-CE3 3.43Å; F205-W241 HydrophobicContact CD1-CG 4.3Å; F205-W241 AromaticContact CD1-CZ3 3.89Å; F205-W241 HydrophobicContact CD1-CZ3 3.89Å; F205-W241 HydrophobicContact CE1-CB 3.79Å; F205-W241 HydrophobicContact CE1-CD2 4.15Å; F205-W241 AromaticContact CE1-CE3 3.9Å; F205-W241 HydrophobicContact CE1-CE3 3.9Å; F205-W241 HydrophobicContact CE1-CG 4.16Å; F205-W241 HydrophobicContact CG-CE3 4.34Å; F205-W241 HydrophobicContact CZ-CB 4.24Å; F205-L243 HydrophobicContact CE2-CD2 4.32Å; F205-L243 HydrophobicContact CZ-CD2 4.08Å
206	P	91.6	Very high	96.1	Very high	77 Å²	77	52 Å²	52	50%	0.5	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-51.6	131.2	177.1	-26.9	34.5	0	0	0	111.9	K208	P206-K208 PolarHBondContact O-N 3.23Å
207	A	92.7	Very high	96.1	Very high	73 Å²	73	51.6 Å²	51.6	60%	0.603	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-57.9	133.7	178.9	0	0	0	0	0	110.6	T190 F205	T190-A207 HydrophobicContact CG2-CB 3.88Å; F205-A207 PolarHBondContact O-N 3.46Å
208	K	93.9	Very high	96.1	Very high	32 Å²	32	44 Å²	44	14%	0.139	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-88.5	169.1	176.4	-64.3	-79.1	-108.8	-169.9	0	109.9	K189 P206 Y210 T239 W241 E252	K189-K208 VanDerWaalsContact CB-O 3.25Å; K189-K208 WeakPolarHBondContact CB-O 3.48Å; K189-K208 VanDerWaalsContact CD-O 3.26Å; K189-K208 WeakPolarHBondContact CD-O 3.36Å; K189-K208 PolarHBondContact O-N 2.96Å; P206-K208 PolarHBondContact O-N 3.23Å; K208-Y210 VanDerWaalsContact C-N 3.29Å; K208-T239 WeakPolarHBondContact CE-OG1 3.27Å; K208-T239 PolarHBondContact NZ-OG1 3.06Å; K208-W241 HydrophobicContact CD-CH2 4.07Å; K208-W241 HydrophobicContact CD-CZ2 4.16Å; K208-W241 HydrophobicContact CG-CZ2 4.43Å; K208-E252 IonicContact NZ-OE1 2.83Å; K208-E252 PolarHBondContact NZ-OE1 3.05Å
209	Q	95.4	Very high	96	Very high	144 Å²	144	46.1 Å²	46.1	67%	0.673	26%	0.261	S	S	*	.	S	Bend	trans	-71.2	-28.6	175.2	-179	176.2	-1.5	0	0	112.4	K189	K189-Q209 WeakPolarHBondContact CD-O 3.41Å; K189-Q209 VanDerWaalsContact CE-O 3.31Å; K189-Q209 WeakPolarHBondContact CE-O 3.22Å; K189-Q209 PolarHBondContact NZ-O 3.2Å
210	Y	97.3	Very high	95.8	Very high	55 Å²	55	50.3 Å²	50.3	22%	0.216	28%	0.284	C	S	.	.	S	Bend	trans	-117	156.2	-173.7	-62	-87.4	0	0	0	111.4	K189 K208 Q212 Q234	K189-Y210 WeakPolarHBondContact CB-O 3.42Å; K208-Y210 VanDerWaalsContact C-N 3.29Å; Y210-Q212 PolarHBondContact O-NE2 3.38Å; Y210-Q234 WeakPolarHBondContact OH-CB 3.07Å
211	I	97.4	Very high	95.8	Very high	35 Å²	35	46 Å²	46	18%	0.179	27%	0.268	C	S	.	.			trans	-62.1	139.6	179.4	-66	177.5	0	0	0	109	T171 E187 K189 S228 N229	T171-I211 HydrophobicContact CG2-CG2 4.19Å; E187-I211 HydrophobicContact CB-CD1 3.85Å; E187-I211 HydrophobicContact CB-CG1 4.21Å; E187-I211 HydrophobicContact CB-CG2 4.2Å; E187-I211 HydrophobicContact CG-CD1 4.03Å; E187-I211 HydrophobicContact CG-CG2 4.01Å; E187-I211 WeakPolarHBondContact O-CG1 3.49Å; K189-I211 HydrophobicContact CG-CG1 4.44Å; I211-S228 VanDerWaalsContact O-CA 3.22Å; I211-S228 WeakPolarHBondContact O-CA 3.19Å; I211-N229 HydrophobicContact CB-CB 4.18Å; I211-N229 VanDerWaalsContact CB-CG 3.49Å; I211-N229 WeakPolarHBondContact CB-OD1 3.43Å; I211-N229 PolarHBondContact N-OD1 3.42Å; I211-N229 PolarHBondContact O-N 2.99Å
212	Q	97.8	Very high	95.7	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	120.6	173.5	-56.8	-55.4	-74.2	0	0	108.7	T171 T185 S186 I191 Y210 S226 S227 S228	T171-Q212 WeakPolarHBondContact CB-O 3.45Å; T171-Q212 WeakPolarHBondContact CG2-O 3.38Å; T171-Q212 PolarHBondContact OG1-O 2.87Å; T185-Q212 HydrophobicContact CG2-CB 3.86Å; S186-Q212 PolarHBondContact O-N 2.81Å; I191-Q212 HydrophobicContact CD1-CG 4.46Å; I191-Q212 HydrophobicContact CG1-CB 4.42Å; I191-Q212 HydrophobicContact CG1-CG 3.87Å; Y210-Q212 PolarHBondContact O-NE2 3.38Å; Q212-S226 PolarHBondContact OE1-OG 2.92Å; Q212-S227 CarbonylContact C-O 3.52Å; Q212-S227 VanDerWaalsContact CA-O 3.32Å; Q212-S227 WeakPolarHBondContact CA-O 3.36Å; Q212-S228 PolarHBondContact NE2-OG 2.69Å
213	T	97.9	Very high	95.7	Very high	26 Å²	26	44.2 Å²	44.2	16%	0.16	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-37.6	-168.6	44	0	0	0	0	113.4	S227 N229 T259 T260	T213-S227 PolarHBondContact N-O 3.32Å; T213-S227 PolarHBondContact OG1-O 3.41Å; T213-S227 VanDerWaalsContact OG1-O 3.12Å; T213-S227 PolarHBondContact OG1-OG 2.95Å; T213-N229 HydrophobicContact CG2-CB 3.61Å; T213-T259 HydrophobicContact CG2-CG2 4.04Å; T213-T260 PolarHBondContact OG1-O 2.87Å
214	H	98.6	Very high	95.9	Very high	26 Å²	26	42.9 Å²	42.9	12%	0.12	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	154.4	-177.4	-173.1	-80.2	0	0	0	110.8	H172 S226 S227 A261 C262 C263	H172-H214 AromaticContact CD2-CD2 3.1Å; H172-H214 PolarHBondContact CD2-CD2 2.84Å; H172-H214 AromaticContact CD2-CG 3.69Å; H172-H214 AromaticContact CD2-NE2 3.52Å; H172-H214 AromaticContact CE1-NE2 3.83Å; H172-H214 AromaticContact CG-CD2 3.97Å; H172-H214 AromaticContact NE2-CD2 3.33Å; H172-H214 PolarHBondContact NE2-CD2 3.24Å; H172-H214 VanDerWaalsContact NE2-CD2 3.33Å; H172-H214 AromaticContact NE2-CE1 3.87Å; H172-H214 AromaticContact NE2-NE2 3.18Å; H172-H214 PolarHBondContact NE2-NE2 2.84Å; H172-H214 VanDerWaalsContact NE2-NE2 3.18Å; H214-S226 CarbonylContact O-C 3.6Å; H214-S226 VanDerWaalsContact O-CA 3.25Å; H214-S226 WeakPolarHBondContact O-CA 3.3Å; H214-S227 WeakPolarHBondContact CB-OG 3.32Å; H214-S227 PolarHBondContact N-OG 2.9Å; H214-S227 PolarHBondContact O-N 3Å; H214-S227 PolarHBondContact O-OG 3.49Å; H214-A261 VanDerWaalsContact CB-O 3.3Å; H214-A261 WeakPolarHBondContact CB-O 3.4Å; H214-C262 PolarHBondContact NE2-SG 2.95Å; H214-C262 VanDerWaalsContact NE2-SG 3.41Å; H214-C263 PolarHBondContact CE1-O 2.81Å; H214-C263 PolarHBondContact ND1-O 2.86Å; H214-C263 VanDerWaalsContact ND1-O 3.1Å
215	C	98.3	Very high	96	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	147.2	170.8	55.7	0	0	0	0	112.3	H172 V183 T185 L224 V225	H172-C215 PolarHBondContact CE1-O 2.87Å; H172-C215 PolarHBondContact ND1-O 3.04Å; V183-C215 HydrophobicContact CG1-CB 4.26Å; T185-C215 HydrophobicContact CG2-CB 3.58Å; C215-L224 HydrophobicContact CB-CD1 3.77Å; C215-V225 CarbonylContact C-O 3.52Å; C215-V225 WeakPolarHBondContact CA-O 3.28Å
216	D	98.4	Very high	96.2	Very high	37 Å²	37	39.6 Å²	39.6	20%	0.198	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	155.5	172.8	-171.4	22.2	0	0	0	110	L224 V225 C263 T264 F265	D216-L224 WeakPolarHBondContact O-CA 3.42Å; D216-L224 WeakPolarHBondContact O-CD1 3.39Å; D216-V225 HydrophobicContact CB-CG1 3.89Å; D216-V225 PolarHBondContact N-O 3.32Å; D216-V225 PolarHBondContact O-N 3.01Å; D216-C263 WeakPolarHBondContact CB-O 3.34Å; D216-T264 WeakPolarHBondContact OD2-CA 3.46Å; D216-T264 WeakPolarHBondContact OD2-CB 3.24Å; D216-T264 PolarHBondContact OD2-OG1 2.97Å; D216-F265 HydrophobicContact CB-CD2 4.36Å; D216-F265 WeakPolarHBondContact O-CE2 3.21Å; D216-F265 PolarHBondContact OD2-N 2.95Å
217	V	97.8	Very high	96.6	Very high	8 Å²	8	35.9 Å²	35.9	5%	0.048	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.5	-176.1	178.1	0	0	0	0	109.3	V176 P177 V183 Y223 L224 L243	V176-V217 HydrophobicContact CG1-CG1 4.17Å; V176-V217 HydrophobicContact CG2-CG1 4.46Å; V176-V217 HydrophobicContact CG2-CG2 4.28Å; P177-V217 HydrophobicContact CG-CG1 4.5Å; V183-V217 HydrophobicContact CG2-CG2 3.98Å; V217-Y223 WeakPolarHBondContact CA-O 3.25Å; V217-Y223 WeakPolarHBondContact CG1-O 3.46Å; V217-L224 HydrophobicContact CG2-CD1 4.23Å; V217-L243 HydrophobicContact CG1-CD1 3.77Å; V217-L243 HydrophobicContact CG2-CD1 4.26Å
218	S	96.3	Very high	96.8	Very high	4 Å²	4	32.5 Å²	32.5	3%	0.028	17%	0.17	C	C	.	.			trans	-58.6	148.8	179.8	59.6	0	0	0	0	111.1	N220 G221 N222 Y223	S218-N220 PolarHBondContact O-N 3.18Å; S218-N220 PolarHBondContact OG-OD1 3.25Å; S218-G221 PolarHBondContact O-N 3.07Å; S218-N222 PolarHBondContact OG-N 2.99Å; S218-Y223 PolarHBondContact N-O 3.38Å; S218-Y223 PolarHBondContact OG-N 2.82Å; S218-Y223 PolarHBondContact OG-O 3.15Å
219	P	93.7	Very high	97	Very high	107 Å²	107	33.5 Å²	33.5	70%	0.695	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-27	-176.5	-29.6	35.6	0	0	0	115.6	G221	P219-G221 VanDerWaalsContact C-N 3.32Å
220	N	93.7	Very high	97	Very high	97 Å²	97	26.7 Å²	26.7	52%	0.519	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	1.2	177.2	66.9	16.6	0	0	0	114.1	S218 N222	S218-N220 PolarHBondContact O-N 3.18Å; S218-N220 PolarHBondContact OG-OD1 3.25Å; N220-N222 VanDerWaalsContact CG-ND2 3.3Å; N220-N222 PolarHBondContact ND2-ND2 2.81Å; N220-N222 PolarHBondContact O-N 2.84Å; N220-N222 VanDerWaalsContact OD1-CB 3.27Å; N220-N222 WeakPolarHBondContact OD1-CB 3.31Å; N220-N222 PolarHBondContact OD1-N 2.79Å; N220-N222 PolarHBondContact OD1-ND2 2.86Å
221	G	95.1	Very high	97	Very high	14 Å²	14	31.1 Å²	31.1	14%	0.144	17%	0.166	C	C	.	.	S	Bend	trans	72.9	4.4	179.5	0	0	0	0	0	115.8	S218 P219 L243	S218-G221 PolarHBondContact O-N 3.07Å; P219-G221 VanDerWaalsContact C-N 3.32Å; G221-L243 WeakPolarHBondContact O-CD1 3.45Å
222	N	94.6	Very high	96.9	Very high	46 Å²	46	32 Å²	32	25%	0.246	18%	0.184	C	C	.	.	S	Bend	trans	-90.6	-29.5	-171.8	-64.8	-37.2	0	0	0	114.1	S218 N220 L243 R244	S218-N222 PolarHBondContact OG-N 2.99Å; N220-N222 VanDerWaalsContact CG-ND2 3.3Å; N220-N222 PolarHBondContact ND2-ND2 2.81Å; N220-N222 PolarHBondContact O-N 2.84Å; N220-N222 VanDerWaalsContact OD1-CB 3.27Å; N220-N222 WeakPolarHBondContact OD1-CB 3.31Å; N220-N222 PolarHBondContact OD1-N 2.79Å; N220-N222 PolarHBondContact OD1-ND2 2.86Å; N222-L243 WeakPolarHBondContact O-CB 3.5Å; N222-L243 PolarHBondContact O-N 3.41Å; N222-R244 HydrophobicContact CB-CG 4.42Å; N222-R244 WeakPolarHBondContact OD1-CD 3.13Å
223	Y	96.3	Very high	96.7	Very high	50 Å²	50	33.1 Å²	33.1	20%	0.196	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	147.5	-177.3	-60.9	-73.7	0	0	0	111.8	V217 S218 L240 W241 D242 R244 V250	V217-Y223 WeakPolarHBondContact CA-O 3.25Å; V217-Y223 WeakPolarHBondContact CG1-O 3.46Å; S218-Y223 PolarHBondContact N-O 3.38Å; S218-Y223 PolarHBondContact OG-N 2.82Å; S218-Y223 PolarHBondContact OG-O 3.15Å; Y223-L240 HydrophobicContact CD1-CD2 4.49Å; Y223-L240 HydrophobicContact CD1-CG 4.44Å; Y223-L240 HydrophobicContact CG-CD1 4.43Å; Y223-W241 WeakPolarHBondContact CA-O 3.25Å; Y223-D242 HydrophobicContact CD1-CB 4.48Å; Y223-D242 HydrophobicContact CE1-CB 4.38Å; Y223-R244 PolarHBondContact OH-NH2 2.79Å; Y223-V250 HydrophobicContact CD1-CG2 4.44Å; Y223-V250 HydrophobicContact CE1-CG2 4.3Å
224	L	97.4	Very high	96.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	134.2	174.7	159.2	68.2	0	0	0	107.9	V183 I191 F205 C215 D216 V217 L240 W241 L243	V183-L224 HydrophobicContact CB-CD1 4.5Å; V183-L224 HydrophobicContact CG1-CD1 3.76Å; V183-L224 HydrophobicContact CG1-CD2 3.95Å; V183-L224 HydrophobicContact CG2-CD1 4.46Å; I191-L224 HydrophobicContact CG2-CD2 3.98Å; F205-L224 HydrophobicContact CD2-CD2 4.46Å; F205-L224 HydrophobicContact CE2-CD2 3.86Å; F205-L224 HydrophobicContact CZ-CD2 4.11Å; C215-L224 HydrophobicContact CB-CD1 3.77Å; D216-L224 WeakPolarHBondContact O-CA 3.42Å; D216-L224 WeakPolarHBondContact O-CD1 3.39Å; V217-L224 HydrophobicContact CG2-CD1 4.23Å; L224-L240 CarbonylContact O-C 3.58Å; L224-L240 WeakPolarHBondContact O-CA 3.22Å; L224-W241 HydrophobicContact CB-CB 4.26Å; L224-W241 HydrophobicContact CD2-CB 4.37Å; L224-W241 HydrophobicContact CD2-CG 4.38Å; L224-W241 HydrophobicContact CG-CB 4.44Å; L224-W241 PolarHBondContact N-O 3.31Å; L224-W241 PolarHBondContact O-N 2.92Å; L224-L243 HydrophobicContact CB-CD1 3.96Å; L224-L243 HydrophobicContact CB-CD2 3.86Å; L224-L243 HydrophobicContact CB-CG 3.72Å; L224-L243 HydrophobicContact CD2-CD2 4.05Å
225	V	98.4	Very high	96.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136.8	165.9	66.8	0	0	0	0	109.5	C215 D216 A238 T239 Y253 C263 F265 I276	C215-V225 CarbonylContact C-O 3.52Å; C215-V225 WeakPolarHBondContact CA-O 3.28Å; D216-V225 HydrophobicContact CB-CG1 3.89Å; D216-V225 PolarHBondContact N-O 3.32Å; D216-V225 PolarHBondContact O-N 3.01Å; V225-A238 HydrophobicContact CG2-CB 4.12Å; V225-T239 CarbonylContact C-O 3.56Å; V225-T239 VanDerWaalsContact CA-O 3.31Å; V225-T239 WeakPolarHBondContact CA-O 3.19Å; V225-Y253 HydrophobicContact CG2-CE2 4.27Å; V225-C263 HydrophobicContact CG1-CB 4.12Å; V225-C263 HydrophobicContact CG2-CB 3.96Å; V225-F265 HydrophobicContact CB-CE2 4Å; V225-F265 HydrophobicContact CB-CZ 4.08Å; V225-F265 HydrophobicContact CG1-CD2 4Å; V225-F265 HydrophobicContact CG1-CE2 3.6Å; V225-F265 HydrophobicContact CG1-CZ 4.16Å; V225-I276 HydrophobicContact CB-CD1 4.02Å; V225-I276 HydrophobicContact CG2-CD1 3.92Å; V225-I276 HydrophobicContact CG2-CG2 4.21Å
226	S	98.3	Very high	96.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	155.6	171.3	72.9	0	0	0	0	111.2	I191 Q212 H214 A238 T239 W241 C263	I191-S226 VanDerWaalsContact CD1-CB 3.47Å; I191-S226 VanDerWaalsContact CD1-OG 3.25Å; I191-S226 WeakPolarHBondContact CD1-OG 3.35Å; Q212-S226 PolarHBondContact OE1-OG 2.92Å; H214-S226 CarbonylContact O-C 3.6Å; H214-S226 VanDerWaalsContact O-CA 3.25Å; H214-S226 WeakPolarHBondContact O-CA 3.3Å; S226-A238 CarbonylContact O-C 3.55Å; S226-A238 WeakPolarHBondContact O-CA 3.07Å; S226-A238 WeakPolarHBondContact O-CB 3.07Å; S226-T239 PolarHBondContact N-O 2.91Å; S226-T239 PolarHBondContact O-N 2.87Å; S226-W241 PolarHBondContact OG-NE1 2.95Å; S226-C263 VanDerWaalsContact C-SG 3.54Å
227	S	98.4	Very high	96.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	161.2	177	51.2	0	0	0	0	111.9	Q212 T213 H214 T260 C263	Q212-S227 CarbonylContact C-O 3.52Å; Q212-S227 VanDerWaalsContact CA-O 3.32Å; Q212-S227 WeakPolarHBondContact CA-O 3.36Å; T213-S227 PolarHBondContact N-O 3.32Å; T213-S227 PolarHBondContact OG1-O 3.41Å; T213-S227 VanDerWaalsContact OG1-O 3.12Å; T213-S227 PolarHBondContact OG1-OG 2.95Å; H214-S227 WeakPolarHBondContact CB-OG 3.32Å; H214-S227 PolarHBondContact N-OG 2.9Å; H214-S227 PolarHBondContact O-N 3Å; H214-S227 PolarHBondContact O-OG 3.49Å; S227-T260 WeakPolarHBondContact CB-O 3.34Å; S227-T260 PolarHBondContact OG-O 2.79Å; S227-C263 PolarHBondContact OG-SG 2.77Å
228	S	97.9	Very high	96.3	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.007	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	153.8	-171.5	-62.2	0	0	0	0	114.3	I211 Q212 G230 G235 E237 T260	I211-S228 VanDerWaalsContact O-CA 3.22Å; I211-S228 WeakPolarHBondContact O-CA 3.19Å; Q212-S228 PolarHBondContact NE2-OG 2.69Å; S228-G230 VanDerWaalsContact C-N 3.33Å; S228-G230 PolarHBondContact O-N 3.49Å; S228-G235 CarbonylContact C-O 3.59Å; S228-G235 WeakPolarHBondContact CB-O 3.17Å; S228-E237 PolarHBondContact N-O 3.34Å; S228-E237 VanDerWaalsContact N-O 3.11Å; S228-T260 PolarHBondContact O-N 3.24Å
229	N	97.6	Very high	96.3	Very high	53 Å²	53	35.1 Å²	35.1	28%	0.283	20%	0.201	S	C	.	.			trans	-89	34.5	-173.4	84.3	-37.5	0	0	0	116.2	I211 T213 T259	I211-N229 HydrophobicContact CB-CB 4.18Å; I211-N229 VanDerWaalsContact CB-CG 3.49Å; I211-N229 WeakPolarHBondContact CB-OD1 3.43Å; I211-N229 PolarHBondContact N-OD1 3.42Å; I211-N229 PolarHBondContact O-N 2.99Å; T213-N229 HydrophobicContact CG2-CB 3.61Å; N229-T259 WeakPolarHBondContact CA-OG1 3.23Å; N229-T259 HydrophobicContact CB-CG2 4.15Å; N229-T259 PolarHBondContact O-OG1 2.79Å
230	G	96.8	Very high	96.6	Very high	1 Å²	1	30 Å²	30	1%	0.01	17%	0.168	C	C	.	.			trans	-59.7	173	-178.7	0	0	0	0	0	115.6	S228 Q234 G235 Q258 T259	S228-G230 VanDerWaalsContact C-N 3.33Å; S228-G230 PolarHBondContact O-N 3.49Å; G230-Q234 CarbonylContact C-O 3.52Å; G230-Q234 WeakPolarHBondContact CA-O 3.44Å; G230-G235 VanDerWaalsContact CA-O 3.27Å; G230-G235 WeakPolarHBondContact CA-O 3.31Å; G230-G235 PolarHBondContact N-O 3.07Å; G230-Q258 CarbonylContact O-C 3.57Å; G230-T259 WeakPolarHBondContact O-CA 3.49Å; G230-T259 PolarHBondContact O-N 3.5Å; G230-T259 PolarHBondContact O-OG1 2.88Å
231	F	96.9	Very high	96.7	Very high	149 Å²	149	25.7 Å²	25.7	65%	0.654	15%	0.145	S	C	*	.	B	Isolated β-bridge	trans	-146.3	149.3	172.7	-170.3	-94.8	0	0	0	110.7	G233 Q234 C236 Q258	F231-G233 VanDerWaalsContact C-N 3.26Å; F231-G233 PolarHBondContact O-N 2.91Å; F231-Q234 PolarHBondContact N-O 2.96Å; F231-Q234 PolarHBondContact O-N 3.12Å; F231-C236 PolarHBondContact N-SG 2.87Å; F231-C236 VanDerWaalsContact N-SG 3.36Å; F231-Q258 HydrophobicContact CD2-CG 4.14Å; F231-Q258 HydrophobicContact CE2-CG 4.07Å
232	G	94.8	Very high	96.7	Very high	53 Å²	53	25.5 Å²	25.5	55%	0.546	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	30.4	-178.9	0	0	0	0	0	113.4	Q234 L257	G232-Q234 PolarHBondContact O-N 2.97Å; G232-L257 WeakPolarHBondContact CA-O 3.46Å; G232-L257 PolarHBondContact N-O 3.23Å
233	G	93.9	Very high	96.6	Very high	24 Å²	24	24.8 Å²	24.8	25%	0.247	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	-3.9	-176.6	0	0	0	0	0	115.3	F231 H256 L257	F231-G233 VanDerWaalsContact C-N 3.26Å; F231-G233 PolarHBondContact O-N 2.91Å; G233-H256 WeakPolarHBondContact CA-O 3.45Å; G233-L257 PolarHBondContact N-O 2.89Å
234	Q	95.9	Very high	96.4	Very high	124 Å²	124	29 Å²	29	58%	0.579	15%	0.152	S	C	*	.	B	Isolated β-bridge	trans	-97.5	123.9	176.4	-61.6	-59.1	-45.7	0	0	109.8	Y210 G230 F231 G232 C236	Y210-Q234 WeakPolarHBondContact OH-CB 3.07Å; G230-Q234 CarbonylContact C-O 3.52Å; G230-Q234 WeakPolarHBondContact CA-O 3.44Å; F231-Q234 PolarHBondContact N-O 2.96Å; F231-Q234 PolarHBondContact O-N 3.12Å; G232-Q234 PolarHBondContact O-N 2.97Å; Q234-C236 PolarHBondContact O-N 2.77Å
235	G	94.2	Very high	95.9	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.01	18%	0.177	C	C	.	.	S	Bend	trans	76.2	8.2	-177.2	0	0	0	0	0	114.9	S228 G230 E237	S228-G235 CarbonylContact C-O 3.59Å; S228-G235 WeakPolarHBondContact CB-O 3.17Å; G230-G235 VanDerWaalsContact CA-O 3.27Å; G230-G235 WeakPolarHBondContact CA-O 3.31Å; G230-G235 PolarHBondContact N-O 3.07Å; G235-E237 WeakPolarHBondContact CA-OE2 3.49Å; G235-E237 PolarHBondContact N-OE2 3.11Å; G235-E237 PolarHBondContact O-N 2.79Å
236	C	96.8	Very high	94.9	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.014	20%	0.204	C	C	.	.			trans	-91.1	35.3	-176.2	-55.2	0	0	0	0	110.9	F231 Q234 H256 Q258 T260	F231-C236 PolarHBondContact N-SG 2.87Å; F231-C236 VanDerWaalsContact N-SG 3.36Å; Q234-C236 PolarHBondContact O-N 2.77Å; C236-H256 HydrophobicContact CB-CB 4.05Å; C236-H256 WeakPolarHBondContact CB-O 3.3Å; C236-Q258 VanDerWaalsContact CB-O 3.26Å; C236-Q258 WeakPolarHBondContact CB-O 3.19Å; C236-Q258 VanDerWaalsContact SG-C 3.54Å; C236-Q258 PolarHBondContact SG-O 2.89Å; C236-Q258 VanDerWaalsContact SG-O 3.37Å; C236-T260 PolarHBondContact O-OG1 3.31Å
237	E	96.4	Very high	94	Very high	15 Å²	15	39.9 Å²	39.9	7%	0.07	22%	0.218	C	C	.	.			trans	-103.6	154.4	-174.6	60.2	-104.5	-148.7	0	0	112.8	S228 G235 Y253 R254	S228-E237 PolarHBondContact N-O 3.34Å; S228-E237 VanDerWaalsContact N-O 3.11Å; G235-E237 WeakPolarHBondContact CA-OE2 3.49Å; G235-E237 PolarHBondContact N-OE2 3.11Å; G235-E237 PolarHBondContact O-N 2.79Å; E237-Y253 VanDerWaalsContact CA-O 3.24Å; E237-Y253 WeakPolarHBondContact CA-O 3.48Å; E237-Y253 WeakPolarHBondContact CB-O 3.49Å; E237-R254 HydrophobicContact CB-CG 4.05Å; E237-R254 IonicContact OE1-CZ 2.97Å; E237-R254 IonicContact OE1-NH1 2.75Å; E237-R254 IonicContact OE1-NH2 3.61Å; E237-R254 PolarHBondContact OE1-NH2 3.47Å; E237-R254 IonicContact OE2-CZ 3.48Å; E237-R254 IonicContact OE2-NH1 3.75Å; E237-R254 PolarHBondContact OE2-NH1 2.94Å; E237-R254 IonicContact OE2-NH2 2.91Å
238	A	98.2	Very high	93.6	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.008	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	148.8	154.2	0	0	0	0	0	109.9	V225 S226 E252 Y253 C263 T278	V225-A238 HydrophobicContact CG2-CB 4.12Å; S226-A238 CarbonylContact O-C 3.55Å; S226-A238 WeakPolarHBondContact O-CA 3.07Å; S226-A238 WeakPolarHBondContact O-CB 3.07Å; A238-E252 CarbonylContact O-C 3.58Å; A238-E252 WeakPolarHBondContact O-CA 3.24Å; A238-Y253 HydrophobicContact CB-CD2 3.76Å; A238-Y253 HydrophobicContact CB-CG 4.49Å; A238-Y253 PolarHBondContact N-O 3.43Å; A238-Y253 VanDerWaalsContact N-O 3.15Å; A238-Y253 WeakPolarHBondContact O-CD2 3.02Å; A238-Y253 PolarHBondContact O-N 3.11Å; A238-C263 HydrophobicContact CB-CB 4.24Å; A238-T278 HydrophobicContact CB-CG2 3.78Å
239	T	98.1	Very high	93.4	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130.5	-180	-55.4	0	0	0	0	109.8	K208 V225 S226 W241 K249 E252	K208-T239 WeakPolarHBondContact CE-OG1 3.27Å; K208-T239 PolarHBondContact NZ-OG1 3.06Å; V225-T239 CarbonylContact C-O 3.56Å; V225-T239 VanDerWaalsContact CA-O 3.31Å; V225-T239 WeakPolarHBondContact CA-O 3.19Å; S226-T239 PolarHBondContact N-O 2.91Å; S226-T239 PolarHBondContact O-N 2.87Å; T239-W241 HydrophobicContact CG2-CD2 3.92Å; T239-W241 HydrophobicContact CG2-CE3 4.47Å; T239-W241 HydrophobicContact CG2-CG 4.44Å; T239-W241 HydrophobicContact CG2-CH2 4.19Å; T239-W241 HydrophobicContact CG2-CZ2 3.56Å; T239-W241 VanDerWaalsContact O-CD1 3.28Å; T239-W241 PolarHBondContact O-NE1 3.26Å; T239-K249 HydrophobicContact CG2-CD 3.8Å; T239-K249 HydrophobicContact CG2-CG 3.65Å; T239-E252 HydrophobicContact CG2-CG 4.03Å
240	L	98	Very high	93.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	133.6	170.5	-171.6	68.2	0	0	0	110.2	Y223 L224 V250 V251 Y253 F265 I276 Q290	Y223-L240 HydrophobicContact CD1-CD2 4.49Å; Y223-L240 HydrophobicContact CD1-CG 4.44Å; Y223-L240 HydrophobicContact CG-CD1 4.43Å; L224-L240 CarbonylContact O-C 3.58Å; L224-L240 WeakPolarHBondContact O-CA 3.22Å; L240-V250 HydrophobicContact CB-CB 4.22Å; L240-V250 HydrophobicContact CD2-CB 3.98Å; L240-V250 HydrophobicContact CD2-CG1 3.88Å; L240-V250 HydrophobicContact CG-CB 4.08Å; L240-V250 HydrophobicContact CG-CG2 4.43Å; L240-V250 PolarHBondContact O-N 3.12Å; L240-V251 HydrophobicContact CB-CG1 3.93Å; L240-V251 HydrophobicContact CD2-CG1 4.2Å; L240-V251 PolarHBondContact N-O 3.13Å; L240-Y253 HydrophobicContact CB-CE2 3.97Å; L240-F265 HydrophobicContact CD1-CE1 3.95Å; L240-F265 HydrophobicContact CD1-CZ 3.74Å; L240-I276 HydrophobicContact CD1-CD1 4.05Å; L240-Q290 HydrophobicContact CD1-CG 4.42Å; L240-Q290 HydrophobicContact CD2-CG 3.7Å
241	W	96.9	Very high	93.3	Very high	5 Å²	5	49 Å²	49	2%	0.019	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145.1	-178.9	-49.4	88.8	0	0	0	110.1	I191 F205 K208 Y223 L224 S226 T239 C248 K249	I191-W241 HydrophobicContact CD1-CZ2 3.9Å; F205-W241 HydrophobicContact CB-CZ3 4.42Å; F205-W241 HydrophobicContact CD1-CB 4.41Å; F205-W241 AromaticContact CD1-CD2 3.85Å; F205-W241 HydrophobicContact CD1-CD2 3.85Å; F205-W241 AromaticContact CD1-CE3 3.43Å; F205-W241 HydrophobicContact CD1-CE3 3.43Å; F205-W241 VanDerWaalsContact CD1-CE3 3.43Å; F205-W241 HydrophobicContact CD1-CG 4.3Å; F205-W241 AromaticContact CD1-CZ3 3.89Å; F205-W241 HydrophobicContact CD1-CZ3 3.89Å; F205-W241 HydrophobicContact CE1-CB 3.79Å; F205-W241 HydrophobicContact CE1-CD2 4.15Å; F205-W241 AromaticContact CE1-CE3 3.9Å; F205-W241 HydrophobicContact CE1-CE3 3.9Å; F205-W241 HydrophobicContact CE1-CG 4.16Å; F205-W241 HydrophobicContact CG-CE3 4.34Å; F205-W241 HydrophobicContact CZ-CB 4.24Å; K208-W241 HydrophobicContact CD-CH2 4.07Å; K208-W241 HydrophobicContact CD-CZ2 4.16Å; K208-W241 HydrophobicContact CG-CZ2 4.43Å; Y223-W241 WeakPolarHBondContact CA-O 3.25Å; L224-W241 HydrophobicContact CB-CB 4.26Å; L224-W241 HydrophobicContact CD2-CB 4.37Å; L224-W241 HydrophobicContact CD2-CG 4.38Å; L224-W241 HydrophobicContact CG-CB 4.44Å; L224-W241 PolarHBondContact N-O 3.31Å; L224-W241 PolarHBondContact O-N 2.92Å; S226-W241 PolarHBondContact OG-NE1 2.95Å; T239-W241 HydrophobicContact CG2-CD2 3.92Å; T239-W241 HydrophobicContact CG2-CE3 4.47Å; T239-W241 HydrophobicContact CG2-CG 4.44Å; T239-W241 HydrophobicContact CG2-CH2 4.19Å; T239-W241 HydrophobicContact CG2-CZ2 3.56Å; T239-W241 VanDerWaalsContact O-CD1 3.28Å; T239-W241 PolarHBondContact O-NE1 3.26Å; W241-C248 WeakPolarHBondContact CA-O 3Å; W241-K249 HydrophobicContact CE3-CB 4.05Å; W241-K249 HydrophobicContact CZ3-CB 3.98Å; W241-K249 HydrophobicContact CZ3-CG 4.48Å
242	D	94.9	Very high	93.3	Very high	11 Å²	11	43.8 Å²	43.8	6%	0.059	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	113.3	170.1	-167.4	-27.5	0	0	0	109.3	Y223 R244 Q245 C248 V250	Y223-D242 HydrophobicContact CD1-CB 4.48Å; Y223-D242 HydrophobicContact CE1-CB 4.38Å; D242-R244 PolarHBondContact O-N 2.58Å; D242-R244 WeakPolarHBondContact OD1-CA 3.33Å; D242-R244 VanDerWaalsContact OD1-CB 3.22Å; D242-R244 WeakPolarHBondContact OD1-CB 3.12Å; D242-R244 IonicContact OD1-CZ 3.99Å; D242-R244 PolarHBondContact OD1-N 3.45Å; D242-R244 IonicContact OD1-NE 3.65Å; D242-R244 PolarHBondContact OD1-NE 3.04Å; D242-R244 IonicContact OD1-NH2 3.18Å; D242-R244 IonicContact OD2-CZ 2.95Å; D242-R244 IonicContact OD2-NE 2.77Å; D242-R244 PolarHBondContact OD2-NE 3.49Å; D242-R244 IonicContact OD2-NH2 2.65Å; D242-R244 PolarHBondContact OD2-NH2 3.22Å; D242-Q245 HydrophobicContact CB-CB 4.36Å; D242-Q245 CarbonylContact O-C 3.52Å; D242-Q245 PolarHBondContact O-N 3.07Å; D242-C248 HydrophobicContact CB-CB 4.34Å; D242-C248 PolarHBondContact N-O 3.44Å; D242-C248 VanDerWaalsContact N-O 3.07Å; D242-V250 HydrophobicContact CB-CG2 4.04Å
243	L	93.3	Very high	93.5	Very high	30 Å²	30	41.4 Å²	41.4	16%	0.157	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-22.1	179.4	-75.2	170.4	0	0	0	112.6	V176 V183 V193 F205 V217 G221 N222 L224 Q245	V176-L243 HydrophobicContact CG2-CD1 4.38Å; V183-L243 HydrophobicContact CG2-CD2 4.44Å; V193-L243 HydrophobicContact CG2-CD2 4.21Å; F205-L243 HydrophobicContact CE2-CD2 4.32Å; F205-L243 HydrophobicContact CZ-CD2 4.08Å; V217-L243 HydrophobicContact CG1-CD1 3.77Å; V217-L243 HydrophobicContact CG2-CD1 4.26Å; G221-L243 WeakPolarHBondContact O-CD1 3.45Å; N222-L243 WeakPolarHBondContact O-CB 3.5Å; N222-L243 PolarHBondContact O-N 3.41Å; L224-L243 HydrophobicContact CB-CD1 3.96Å; L224-L243 HydrophobicContact CB-CD2 3.86Å; L224-L243 HydrophobicContact CB-CG 3.72Å; L224-L243 HydrophobicContact CD2-CD2 4.05Å; L243-Q245 VanDerWaalsContact C-N 3.26Å
244	R	91.1	Very high	93.6	Very high	138 Å²	138	46.2 Å²	46.2	52%	0.521	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-18	177.1	-52.3	166.2	-66.9	-178.4	5.3	111.7	N222 Y223 D242	N222-R244 HydrophobicContact CB-CG 4.42Å; N222-R244 WeakPolarHBondContact OD1-CD 3.13Å; Y223-R244 PolarHBondContact OH-NH2 2.79Å; D242-R244 PolarHBondContact O-N 2.58Å; D242-R244 WeakPolarHBondContact OD1-CA 3.33Å; D242-R244 VanDerWaalsContact OD1-CB 3.22Å; D242-R244 WeakPolarHBondContact OD1-CB 3.12Å; D242-R244 IonicContact OD1-CZ 3.99Å; D242-R244 PolarHBondContact OD1-N 3.45Å; D242-R244 IonicContact OD1-NE 3.65Å; D242-R244 PolarHBondContact OD1-NE 3.04Å; D242-R244 IonicContact OD1-NH2 3.18Å; D242-R244 IonicContact OD2-CZ 2.95Å; D242-R244 IonicContact OD2-NE 2.77Å; D242-R244 PolarHBondContact OD2-NE 3.49Å; D242-R244 IonicContact OD2-NH2 2.65Å; D242-R244 PolarHBondContact OD2-NH2 3.22Å
245	Q	88.2	Confident	93.6	Very high	116 Å²	116	42.3 Å²	42.3	54%	0.542	22%	0.223	S	C	.	.	S	Bend	trans	-124.9	83.6	178	-62.7	-171.4	9.7	0	0	109.8	D242 L243 G247 C248	D242-Q245 HydrophobicContact CB-CB 4.36Å; D242-Q245 CarbonylContact O-C 3.52Å; D242-Q245 PolarHBondContact O-N 3.07Å; L243-Q245 VanDerWaalsContact C-N 3.26Å; Q245-G247 PolarHBondContact O-N 2.77Å; Q245-C248 HydrophobicContact CB-CB 3.64Å; Q245-C248 WeakPolarHBondContact O-CB 3.34Å; Q245-C248 PolarHBondContact O-N 3.4Å
246	P	76.4	Confident	93.8	Very high	87 Å²	87	42.5 Å²	42.5	57%	0.565	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-41.4	123.3	179.3	-36.6	40.3	0	0	0	114.5	N203 C248	N203-P246 WeakPolarHBondContact ND2-CA 3.36Å; N203-P246 WeakPolarHBondContact ND2-CB 3.44Å; P246-C248 VanDerWaalsContact C-N 3.29Å; P246-C248 PolarHBondContact O-N 2.99Å
247	G	79.1	Confident	93.9	Very high	27 Å²	27	47.8 Å²	47.8	28%	0.278	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	-5	-180	0	0	0	0	0	115.3	Q245 K249	Q245-G247 PolarHBondContact O-N 2.77Å; G247-K249 PolarHBondContact O-N 3.46Å
248	C	89.9	Confident	94	Very high	46 Å²	46	50.4 Å²	50.4	31%	0.311	26%	0.264	S	S	.	.			trans	-75.8	109.4	177.8	-170.1	0	0	0	0	110.9	W241 D242 Q245 P246	W241-C248 WeakPolarHBondContact CA-O 3Å; D242-C248 HydrophobicContact CB-CB 4.34Å; D242-C248 PolarHBondContact N-O 3.44Å; D242-C248 VanDerWaalsContact N-O 3.07Å; Q245-C248 HydrophobicContact CB-CB 3.64Å; Q245-C248 WeakPolarHBondContact O-CB 3.34Å; Q245-C248 PolarHBondContact O-N 3.4Å; P246-C248 VanDerWaalsContact C-N 3.29Å; P246-C248 PolarHBondContact O-N 2.99Å
249	K	94.3	Very high	94	Very high	105 Å²	105	51.4 Å²	51.4	46%	0.457	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	124.9	168.9	-176	175.7	79.8	174.1	0	109.3	T239 W241 G247 E252	T239-K249 HydrophobicContact CG2-CD 3.8Å; T239-K249 HydrophobicContact CG2-CG 3.65Å; W241-K249 HydrophobicContact CE3-CB 4.05Å; W241-K249 HydrophobicContact CZ3-CB 3.98Å; W241-K249 HydrophobicContact CZ3-CG 4.48Å; G247-K249 PolarHBondContact O-N 3.46Å; K249-E252 HydrophobicContact CD-CG 3.97Å; K249-E252 VanDerWaalsContact CD-OE1 3.31Å; K249-E252 WeakPolarHBondContact CD-OE1 3.48Å; K249-E252 IonicContact NZ-OE1 3.4Å; K249-E252 PolarHBondContact NZ-OE1 2.73Å; K249-E252 IonicContact NZ-OE2 3.32Å
250	V	95.3	Very high	94	Very high	63 Å²	63	51.4 Å²	51.4	38%	0.382	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-60.3	178.4	-177.3	0	0	0	0	110.3	Y223 L240 D242	Y223-V250 HydrophobicContact CD1-CG2 4.44Å; Y223-V250 HydrophobicContact CE1-CG2 4.3Å; L240-V250 HydrophobicContact CB-CB 4.22Å; L240-V250 HydrophobicContact CD2-CB 3.98Å; L240-V250 HydrophobicContact CD2-CG1 3.88Å; L240-V250 HydrophobicContact CG-CB 4.08Å; L240-V250 HydrophobicContact CG-CG2 4.43Å; L240-V250 PolarHBondContact O-N 3.12Å; D242-V250 HydrophobicContact CB-CG2 4.04Å
251	V	96.7	Very high	94	Very high	32 Å²	32	52 Å²	52	19%	0.194	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	162.3	-178.1	76.2	0	0	0	0	111.6	L240 Y253 Q290 A293	L240-V251 HydrophobicContact CB-CG1 3.93Å; L240-V251 HydrophobicContact CD2-CG1 4.2Å; L240-V251 PolarHBondContact N-O 3.13Å; V251-Y253 HydrophobicContact CG1-CE1 3.91Å; V251-Y253 HydrophobicContact CG1-CE2 4.3Å; V251-Q290 WeakPolarHBondContact CG1-O 3.45Å; V251-A293 HydrophobicContact CB-CB 4.45Å; V251-A293 HydrophobicContact CG1-CB 4.17Å; V251-A293 HydrophobicContact CG2-CB 3.44Å; V251-A293 VanDerWaalsContact CG2-CB 3.44Å
252	E	97.2	Very high	94.1	Very high	40 Å²	40	51.8 Å²	51.8	19%	0.187	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133.1	173.8	-70.4	174.9	171.4	0	0	110.7	K208 A238 T239 K249 R254	K208-E252 IonicContact NZ-OE1 2.83Å; K208-E252 PolarHBondContact NZ-OE1 3.05Å; A238-E252 CarbonylContact O-C 3.58Å; A238-E252 WeakPolarHBondContact O-CA 3.24Å; T239-E252 HydrophobicContact CG2-CG 4.03Å; K249-E252 HydrophobicContact CD-CG 3.97Å; K249-E252 VanDerWaalsContact CD-OE1 3.31Å; K249-E252 WeakPolarHBondContact CD-OE1 3.48Å; K249-E252 IonicContact NZ-OE1 3.4Å; K249-E252 PolarHBondContact NZ-OE1 2.73Å; K249-E252 IonicContact NZ-OE2 3.32Å; E252-R254 HydrophobicContact CB-CG 4.49Å; E252-R254 IonicContact OE2-CZ 3.64Å; E252-R254 IonicContact OE2-NE 3.5Å; E252-R254 PolarHBondContact OE2-NE 2.97Å; E252-R254 IonicContact OE2-NH2 3.67Å; E252-R254 PolarHBondContact OE2-NH2 3.22Å
253	Y	98.1	Very high	94.2	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.008	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	110.4	176.9	-48	-78.1	0	0	0	108.7	V225 E237 A238 L240 V251 I276 W288 Q290 A293	V225-Y253 HydrophobicContact CG2-CE2 4.27Å; E237-Y253 VanDerWaalsContact CA-O 3.24Å; E237-Y253 WeakPolarHBondContact CA-O 3.48Å; E237-Y253 WeakPolarHBondContact CB-O 3.49Å; A238-Y253 HydrophobicContact CB-CD2 3.76Å; A238-Y253 HydrophobicContact CB-CG 4.49Å; A238-Y253 PolarHBondContact N-O 3.43Å; A238-Y253 VanDerWaalsContact N-O 3.15Å; A238-Y253 WeakPolarHBondContact O-CD2 3.02Å; A238-Y253 PolarHBondContact O-N 3.11Å; L240-Y253 HydrophobicContact CB-CE2 3.97Å; V251-Y253 HydrophobicContact CG1-CE1 3.91Å; V251-Y253 HydrophobicContact CG1-CE2 4.3Å; Y253-I276 HydrophobicContact CE2-CD1 3.7Å; Y253-I276 WeakPolarHBondContact OH-CD1 3.38Å; Y253-W288 HydrophobicContact CD1-CB 3.52Å; Y253-W288 HydrophobicContact CD1-CD2 4Å; Y253-W288 HydrophobicContact CD1-CE3 4.21Å; Y253-W288 AromaticContact CD1-CG 3.7Å; Y253-W288 HydrophobicContact CD1-CG 3.7Å; Y253-W288 HydrophobicContact CE1-CB 3.86Å; Y253-W288 HydrophobicContact CE1-CG 4.47Å; Y253-W288 HydrophobicContact CG-CB 4.32Å; Y253-W288 HydrophobicContact CG-CD2 4.2Å; Y253-W288 HydrophobicContact CG-CG 4.06Å; Y253-Q290 WeakPolarHBondContact OH-CA 3.43Å; Y253-Q290 PolarHBondContact OH-O 2.8Å; Y253-A293 HydrophobicContact CD1-CB 3.59Å; Y253-A293 HydrophobicContact CE1-CB 3.87Å
254	R	97.5	Very high	94.5	Very high	126 Å²	126	50.4 Å²	50.4	48%	0.475	27%	0.267	S	S	.	.			trans	-118.3	130.4	-173.5	-67.1	-179.4	173.3	-75.1	-7.8	110.2	E237 E252 W288	E237-R254 HydrophobicContact CB-CG 4.05Å; E237-R254 IonicContact OE1-CZ 2.97Å; E237-R254 IonicContact OE1-NH1 2.75Å; E237-R254 IonicContact OE1-NH2 3.61Å; E237-R254 PolarHBondContact OE1-NH2 3.47Å; E237-R254 IonicContact OE2-CZ 3.48Å; E237-R254 IonicContact OE2-NH1 3.75Å; E237-R254 PolarHBondContact OE2-NH1 2.94Å; E237-R254 IonicContact OE2-NH2 2.91Å; E252-R254 HydrophobicContact CB-CG 4.49Å; E252-R254 IonicContact OE2-CZ 3.64Å; E252-R254 IonicContact OE2-NE 3.5Å; E252-R254 PolarHBondContact OE2-NE 2.97Å; E252-R254 IonicContact OE2-NH2 3.67Å; E252-R254 PolarHBondContact OE2-NH2 3.22Å; R254-W288 VanDerWaalsContact O-CH2 3.29Å; R254-W288 WeakPolarHBondContact O-CH2 3.34Å; R254-W288 WeakPolarHBondContact O-CZ3 3.38Å
255	G	96.2	Very high	94.8	Very high	42 Å²	42	44.5 Å²	44.5	43%	0.433	25%	0.245	S	C	.	.			trans	162.4	-11.6	174.7	0	0	0	0	0	116	K286	G255-K286 WeakPolarHBondContact O-CE 3.25Å
256	H	98	Very high	95.1	Very high	5 Å²	5	39.6 Å²	39.6	2%	0.023	22%	0.222	C	C	.	.			trans	-72.6	151.7	167.8	-73.7	-61.5	0	0	0	111.2	G233 C236 T260 T278 S280 D282 S284	G233-H256 WeakPolarHBondContact CA-O 3.45Å; C236-H256 HydrophobicContact CB-CB 4.05Å; C236-H256 WeakPolarHBondContact CB-O 3.3Å; H256-T260 PolarHBondContact CD2-OG1 3.42Å; H256-T278 PolarHBondContact NE2-OG1 3.41Å; H256-S280 VanDerWaalsContact CE1-CB 3.46Å; H256-S280 WeakPolarHBondContact CE1-CB 3.27Å; H256-S280 VanDerWaalsContact CG-CB 3.47Å; H256-S280 WeakPolarHBondContact ND1-CB 3.48Å; H256-D282 VanDerWaalsContact CA-OD2 3.29Å; H256-D282 WeakPolarHBondContact CA-OD2 3.46Å; H256-D282 WeakPolarHBondContact CB-OD2 3.21Å; H256-D282 IonicContact CG-OD2 2.72Å; H256-D282 IonicContact ND1-OD1 3.12Å; H256-D282 PolarHBondContact ND1-OD1 3.35Å; H256-D282 IonicContact ND1-OD2 3.16Å; H256-D282 PolarHBondContact ND1-OD2 3.28Å; H256-S284 PolarHBondContact CE1-O 2.89Å; H256-S284 PolarHBondContact CE1-OG 3.3Å; H256-S284 PolarHBondContact ND1-OG 3.28Å
257	L	97.6	Very high	95.9	Very high	112 Å²	112	38 Å²	38	59%	0.586	21%	0.212	S	C	*	.	S	Bend	trans	-99.2	-18.4	179.9	-62.6	-180	0	0	0	112.8	G232 G233 D282	G232-L257 WeakPolarHBondContact CA-O 3.46Å; G232-L257 PolarHBondContact N-O 3.23Å; G233-L257 PolarHBondContact N-O 2.89Å; L257-D282 HydrophobicContact CB-CB 4.25Å; L257-D282 PolarHBondContact N-OD2 3.45Å
258	Q	98.2	Very high	96.1	Very high	71 Å²	71	41 Å²	41	33%	0.332	23%	0.225	S	C	.	.	S	Bend	trans	-130.8	-177.1	175.7	-59.8	-170.4	25.6	0	0	110.5	G230 F231 C236 T260 S280 H281 D282	G230-Q258 CarbonylContact O-C 3.57Å; F231-Q258 HydrophobicContact CD2-CG 4.14Å; F231-Q258 HydrophobicContact CE2-CG 4.07Å; C236-Q258 VanDerWaalsContact CB-O 3.26Å; C236-Q258 WeakPolarHBondContact CB-O 3.19Å; C236-Q258 VanDerWaalsContact SG-C 3.54Å; C236-Q258 PolarHBondContact SG-O 2.89Å; C236-Q258 VanDerWaalsContact SG-O 3.37Å; Q258-T260 PolarHBondContact O-N 2.79Å; Q258-T260 VanDerWaalsContact O-N 3.17Å; Q258-S280 PolarHBondContact O-OG 3.26Å; Q258-H281 HydrophobicContact CB-CB 3.88Å; Q258-H281 PolarHBondContact OE1-O 3.2Å; Q258-D282 HydrophobicContact CB-CB 4.13Å; Q258-D282 HydrophobicContact CG-CB 4.08Å
259	T	98.3	Very high	95.3	Very high	22 Å²	22	42.4 Å²	42.4	14%	0.135	23%	0.226	C	C	.	.			trans	-40.2	120.8	176.9	-66.7	0	0	0	0	111.6	T213 N229 G230 A261 S280 H281	T213-T259 HydrophobicContact CG2-CG2 4.04Å; N229-T259 WeakPolarHBondContact CA-OG1 3.23Å; N229-T259 HydrophobicContact CB-CG2 4.15Å; N229-T259 PolarHBondContact O-OG1 2.79Å; G230-T259 WeakPolarHBondContact O-CA 3.49Å; G230-T259 PolarHBondContact O-N 3.5Å; G230-T259 PolarHBondContact O-OG1 2.88Å; T259-A261 PolarHBondContact O-N 2.88Å; T259-S280 CarbonylContact O-C 3.5Å; T259-S280 WeakPolarHBondContact O-CA 3.36Å; T259-S280 WeakPolarHBondContact O-CB 3.31Å; T259-S280 PolarHBondContact O-OG 3.23Å; T259-S280 VanDerWaalsContact O-OG 3.14Å; T259-H281 PolarHBondContact O-N 3.29Å
260	T	98.6	Very high	93.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	107.8	165	-56	0	0	0	0	106.9	T213 S227 S228 C236 H256 Q258 T278 S279	T213-T260 PolarHBondContact OG1-O 2.87Å; S227-T260 WeakPolarHBondContact CB-O 3.34Å; S227-T260 PolarHBondContact OG-O 2.79Å; S228-T260 PolarHBondContact O-N 3.24Å; C236-T260 PolarHBondContact O-OG1 3.31Å; H256-T260 PolarHBondContact CD2-OG1 3.42Å; Q258-T260 PolarHBondContact O-N 2.79Å; Q258-T260 VanDerWaalsContact O-N 3.17Å; T260-T278 HydrophobicContact CG2-CG2 4.18Å; T260-S279 CarbonylContact C-O 3.6Å; T260-S279 WeakPolarHBondContact CA-O 3.48Å
261	A	97.9	Very high	92.5	Very high	12 Å²	12	44.7 Å²	44.7	10%	0.099	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-36.9	-169.6	0	0	0	0	0	112.4	H214 T259 S279 L307	H214-A261 VanDerWaalsContact CB-O 3.3Å; H214-A261 WeakPolarHBondContact CB-O 3.4Å; T259-A261 PolarHBondContact O-N 2.88Å; A261-S279 PolarHBondContact N-O 3.06Å; A261-L307 WeakPolarHBondContact CB-O 3.44Å
262	C	98.5	Very high	91.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	147.4	179.7	-175.2	0	0	0	0	110.2	H214 T278 S279 L310	H214-C262 PolarHBondContact NE2-SG 2.95Å; H214-C262 VanDerWaalsContact NE2-SG 3.41Å; C262-T278 VanDerWaalsContact O-CA 3.31Å; C262-T278 WeakPolarHBondContact O-CA 3.37Å; C262-S279 WeakPolarHBondContact CB-OG 3.38Å; C262-S279 PolarHBondContact O-N 2.52Å; C262-L310 PolarHBondContact SG-N 2.84Å; C262-L310 VanDerWaalsContact SG-N 3.45Å
263	C	98.6	Very high	90.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	135.8	171.9	53.7	0	0	0	0	108.5	H214 D216 V225 S226 S227 A238 A277 T278	H214-C263 PolarHBondContact CE1-O 2.81Å; H214-C263 PolarHBondContact ND1-O 2.86Å; H214-C263 VanDerWaalsContact ND1-O 3.1Å; D216-C263 WeakPolarHBondContact CB-O 3.34Å; V225-C263 HydrophobicContact CG1-CB 4.12Å; V225-C263 HydrophobicContact CG2-CB 3.96Å; S226-C263 VanDerWaalsContact C-SG 3.54Å; S227-C263 PolarHBondContact OG-SG 2.77Å; A238-C263 HydrophobicContact CB-CB 4.24Å; C263-A277 CarbonylContact C-O 3.45Å; C263-A277 WeakPolarHBondContact CA-O 3.5Å; C263-T278 HydrophobicContact CB-CG2 3.99Å
264	T	98.2	Very high	90.4	Very high	13 Å²	13	46 Å²	46	8%	0.08	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	148.4	-177.6	-173.3	0	0	0	0	112.1	D216 I276 A277 L310	D216-T264 WeakPolarHBondContact OD2-CA 3.46Å; D216-T264 WeakPolarHBondContact OD2-CB 3.24Å; D216-T264 PolarHBondContact OD2-OG1 2.97Å; T264-I276 WeakPolarHBondContact O-CA 3.26Å; T264-I276 WeakPolarHBondContact O-CG2 3.25Å; T264-A277 HydrophobicContact CG2-CB 4.09Å; T264-A277 PolarHBondContact N-O 2.79Å; T264-A277 PolarHBondContact O-N 2.62Å; T264-L310 HydrophobicContact CG2-CB 4.24Å
265	F	97.6	Very high	90.3	Very high	14 Å²	14	40.9 Å²	40.9	6%	0.061	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	134.7	171.2	-70.3	-86.9	0	0	0	110.5	D216 V225 L240 I276	D216-F265 HydrophobicContact CB-CD2 4.36Å; D216-F265 WeakPolarHBondContact O-CE2 3.21Å; D216-F265 PolarHBondContact OD2-N 2.95Å; V225-F265 HydrophobicContact CB-CE2 4Å; V225-F265 HydrophobicContact CB-CZ 4.08Å; V225-F265 HydrophobicContact CG1-CD2 4Å; V225-F265 HydrophobicContact CG1-CE2 3.6Å; V225-F265 HydrophobicContact CG1-CZ 4.16Å; L240-F265 HydrophobicContact CD1-CE1 3.95Å; L240-F265 HydrophobicContact CD1-CZ 3.74Å; F265-I276 HydrophobicContact CD1-CD1 4.14Å; F265-I276 HydrophobicContact CD1-CG1 4.13Å; F265-I276 HydrophobicContact CE1-CD1 3.79Å; F265-I276 HydrophobicContact CE1-CG1 4.25Å; F265-I276 HydrophobicContact CZ-CD1 4.25Å
266	L	95.7	Very high	90.4	Very high	12 Å²	12	38.9 Å²	38.9	6%	0.063	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-84.8	145.4	173.4	-63	-175.7	0	0	0	111.3	V268 Q275 A277 I287 P312 L318 L332	L266-V268 PolarHBondContact O-N 3.19Å; L266-Q275 HydrophobicContact CB-CB 4.17Å; L266-Q275 HydrophobicContact CD1-CB 3.84Å; L266-Q275 HydrophobicContact CG-CB 4.31Å; L266-Q275 PolarHBondContact N-O 2.94Å; L266-A277 HydrophobicContact CD1-CB 4.42Å; L266-A277 HydrophobicContact CD2-CB 3.77Å; L266-A277 HydrophobicContact CG-CB 4.17Å; L266-I287 HydrophobicContact CD1-CD1 4.14Å; L266-I287 HydrophobicContact CD1-CG2 3.83Å; L266-P312 HydrophobicContact CD2-CB 4.21Å; L266-L318 HydrophobicContact CD2-CD1 4.37Å; L266-L318 HydrophobicContact CD2-CD2 3.53Å; L266-L318 HydrophobicContact CD2-CG 4.39Å; L266-L332 HydrophobicContact CD1-CD1 4.08Å
267	P	91.4	Very high	90.4	Very high	53 Å²	53	38.6 Å²	38.6	34%	0.344	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-56.7	127.6	170.8	-23.6	33.7	0	0	0	111.2	P312 T315	P267-P312 HydrophobicContact CG-CB 4.08Å; P267-P312 HydrophobicContact CG-CG 4.48Å; P267-T315 HydrophobicContact CB-CG2 4.15Å
268	V	83.3	Confident	90.5	Very high	92 Å²	92	33.3 Å²	33.3	56%	0.558	22%	0.224	S	C	*	.	P	Polyproline II helix	trans	-84.3	123.7	177.5	-174.9	0	0	0	0	108.9	L266 A274	L266-V268 PolarHBondContact O-N 3.19Å; V268-A274 HydrophobicContact CG2-CB 4.3Å
269	F	73.6	Confident	90.5	Very high	75 Å²	75	30 Å²	30	33%	0.329	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-90.3	157.7	169.5	65	-78.6	0	0	0	110.5	G271 G272 T315 Q334	F269-G271 PolarHBondContact O-N 2.93Å; F269-G271 VanDerWaalsContact O-N 3.09Å; F269-G272 PolarHBondContact O-N 2.88Å; F269-T315 HydrophobicContact CB-CG2 3.99Å; F269-Q334 VanDerWaalsContact CE1-CD 3.49Å
270	S	65.9	Low	90.5	Very high	127 Å²	127	28.9 Å²	28.9	89%	0.888	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	116.9	-178.8	-57	0	0	0	0	111.6
271	G	65.4	Low	90.5	Very high	89 Å²	89	31.6 Å²	31.6	92%	0.918	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.4	-1.4	-179.9	0	0	0	0	0	115.5	F269	F269-G271 PolarHBondContact O-N 2.93Å; F269-G271 VanDerWaalsContact O-N 3.09Å
272	G	72.7	Confident	90.5	Very high	22 Å²	22	32.6 Å²	32.6	23%	0.227	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-83.8	158.3	173.9	0	0	0	0	0	113.8	F269	F269-G272 PolarHBondContact O-N 2.88Å
273	S	84	Confident	90.4	Very high	54 Å²	54	34 Å²	34	38%	0.378	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-77.6	152.3	169.3	75.3	0	0	0	0	110.9	D289	S273-D289 WeakPolarHBondContact CB-OD2 3.34Å; S273-D289 PolarHBondContact OG-OD2 2.87Å; S273-D289 VanDerWaalsContact OG-OD2 3.11Å
274	A	92.1	Very high	90.4	Very high	24 Å²	24	34.2 Å²	34.2	20%	0.198	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-70.8	132.8	174.1	0	0	0	0	0	109.6	V268 Q290	V268-A274 HydrophobicContact CG2-CB 4.3Å; A274-Q290 HydrophobicContact CB-CB 3.97Å; A274-Q290 WeakPolarHBondContact O-CB 3.29Å; A274-Q290 PolarHBondContact O-N 2.97Å
275	Q	95.4	Very high	90.4	Very high	19 Å²	19	33.6 Å²	33.6	9%	0.089	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	154.7	-171	-69.4	174.9	-10.1	0	0	112	L266 I287 W288 L296	L266-Q275 HydrophobicContact CB-CB 4.17Å; L266-Q275 HydrophobicContact CD1-CB 3.84Å; L266-Q275 HydrophobicContact CG-CB 4.31Å; L266-Q275 PolarHBondContact N-O 2.94Å; Q275-I287 HydrophobicContact CB-CG2 4.25Å; Q275-I287 HydrophobicContact CG-CG2 4.47Å; Q275-W288 CarbonylContact C-O 3.57Å; Q275-W288 WeakPolarHBondContact CA-O 3.47Å; Q275-L296 HydrophobicContact CG-CD1 3.88Å; Q275-L296 VanDerWaalsContact NE2-CD1 3.3Å
276	I	97.6	Very high	90.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	138.9	174.7	-61.1	-161.1	0	0	0	108.8	V225 L240 Y253 T264 F265 T278 I287 W288 Q290	V225-I276 HydrophobicContact CB-CD1 4.02Å; V225-I276 HydrophobicContact CG2-CD1 3.92Å; V225-I276 HydrophobicContact CG2-CG2 4.21Å; L240-I276 HydrophobicContact CD1-CD1 4.05Å; Y253-I276 HydrophobicContact CE2-CD1 3.7Å; Y253-I276 WeakPolarHBondContact OH-CD1 3.38Å; T264-I276 WeakPolarHBondContact O-CA 3.26Å; T264-I276 WeakPolarHBondContact O-CG2 3.25Å; F265-I276 HydrophobicContact CD1-CD1 4.14Å; F265-I276 HydrophobicContact CD1-CG1 4.13Å; F265-I276 HydrophobicContact CE1-CD1 3.79Å; F265-I276 HydrophobicContact CE1-CG1 4.25Å; F265-I276 HydrophobicContact CZ-CD1 4.25Å; I276-T278 HydrophobicContact CG2-CG2 4.27Å; I276-I287 CarbonylContact O-C 3.56Å; I276-I287 WeakPolarHBondContact O-CA 3.39Å; I276-W288 PolarHBondContact N-O 3.23Å; I276-W288 PolarHBondContact O-N 3.02Å; I276-Q290 HydrophobicContact CD1-CG 4.2Å; I276-Q290 HydrophobicContact CG1-CB 4.23Å; I276-Q290 HydrophobicContact CG1-CG 4.28Å
277	A	98.4	Very high	90.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	141.8	169.2	0	0	0	0	0	110.8	C263 T264 L266 K286 I287 L310 L318	C263-A277 CarbonylContact C-O 3.45Å; C263-A277 WeakPolarHBondContact CA-O 3.5Å; T264-A277 HydrophobicContact CG2-CB 4.09Å; T264-A277 PolarHBondContact N-O 2.79Å; T264-A277 PolarHBondContact O-N 2.62Å; L266-A277 HydrophobicContact CD1-CB 4.42Å; L266-A277 HydrophobicContact CD2-CB 3.77Å; L266-A277 HydrophobicContact CG-CB 4.17Å; A277-K286 CarbonylContact C-O 3.45Å; A277-K286 WeakPolarHBondContact CA-O 3.43Å; A277-I287 HydrophobicContact CB-CD1 3.55Å; A277-L310 HydrophobicContact CB-CD1 4.21Å; A277-L318 HydrophobicContact CB-CD1 4.07Å
278	T	98.8	Very high	90.8	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	142.1	173.9	59.5	0	0	0	0	111	A238 H256 T260 C262 C263 I276 V285 K286 W288 L310	A238-T278 HydrophobicContact CB-CG2 3.78Å; H256-T278 PolarHBondContact NE2-OG1 3.41Å; T260-T278 HydrophobicContact CG2-CG2 4.18Å; C262-T278 VanDerWaalsContact O-CA 3.31Å; C262-T278 WeakPolarHBondContact O-CA 3.37Å; C263-T278 HydrophobicContact CB-CG2 3.99Å; I276-T278 HydrophobicContact CG2-CG2 4.27Å; T278-V285 CarbonylContact O-C 3.58Å; T278-V285 VanDerWaalsContact O-CA 3.27Å; T278-V285 WeakPolarHBondContact O-CA 3.34Å; T278-K286 PolarHBondContact N-O 2.98Å; T278-K286 PolarHBondContact O-N 2.92Å; T278-W288 PolarHBondContact OG1-NE1 3.33Å; T278-L310 VanDerWaalsContact C-CD1 3.41Å
279	S	98.6	Very high	91.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	155.1	170.1	68.2	0	0	0	0	110.9	T260 A261 C262 L307 L310	T260-S279 CarbonylContact C-O 3.6Å; T260-S279 WeakPolarHBondContact CA-O 3.48Å; A261-S279 PolarHBondContact N-O 3.06Å; C262-S279 WeakPolarHBondContact CB-OG 3.38Å; C262-S279 PolarHBondContact O-N 2.52Å; S279-L307 WeakPolarHBondContact CB-O 3.29Å; S279-L307 PolarHBondContact OG-O 3.3Å; S279-L310 VanDerWaalsContact N-CD1 3.32Å
280	S	98.4	Very high	92.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	159.6	-173.4	170.8	0	0	0	0	113.5	H256 Q258 T259 D282 C283 S284 L307	H256-S280 VanDerWaalsContact CE1-CB 3.46Å; H256-S280 WeakPolarHBondContact CE1-CB 3.27Å; H256-S280 VanDerWaalsContact CG-CB 3.47Å; H256-S280 WeakPolarHBondContact ND1-CB 3.48Å; Q258-S280 PolarHBondContact O-OG 3.26Å; T259-S280 CarbonylContact O-C 3.5Å; T259-S280 WeakPolarHBondContact O-CA 3.36Å; T259-S280 WeakPolarHBondContact O-CB 3.31Å; T259-S280 PolarHBondContact O-OG 3.23Å; T259-S280 VanDerWaalsContact O-OG 3.14Å; S280-D282 WeakPolarHBondContact CB-OD1 3.34Å; S280-D282 PolarHBondContact O-N 3.06Å; S280-D282 PolarHBondContact OG-N 3.14Å; S280-D282 VanDerWaalsContact OG-N 3.15Å; S280-D282 PolarHBondContact OG-OD1 3.1Å; S280-D282 VanDerWaalsContact OG-OD1 3.06Å; S280-D282 PolarHBondContact OG-OD2 3.03Å; S280-C283 PolarHBondContact O-N 2.87Å; S280-S284 PolarHBondContact N-O 2.84Å; S280-S284 VanDerWaalsContact N-O 3.11Å; S280-L307 WeakPolarHBondContact O-CB 3.49Å; S280-L307 PolarHBondContact O-N 3.28Å; S280-L307 VanDerWaalsContact O-N 3.15Å
281	H	98.1	Very high	93.6	Very high	57 Å²	57	23.8 Å²	23.8	26%	0.264	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-11.5	171.8	-69.2	-164.1	0	0	0	113.1	Q258 T259 C283 P306	Q258-H281 HydrophobicContact CB-CB 3.88Å; Q258-H281 PolarHBondContact OE1-O 3.2Å; T259-H281 PolarHBondContact O-N 3.29Å; H281-C283 PolarHBondContact O-N 2.9Å; H281-P306 HydrophobicContact CB-CB 4.29Å
282	D	97.4	Very high	95	Very high	32 Å²	32	23.8 Å²	23.8	17%	0.171	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	13.1	172.3	65.2	22.3	0	0	0	114.1	H256 L257 Q258 S280 S284	H256-D282 VanDerWaalsContact CA-OD2 3.29Å; H256-D282 WeakPolarHBondContact CA-OD2 3.46Å; H256-D282 WeakPolarHBondContact CB-OD2 3.21Å; H256-D282 IonicContact CG-OD2 2.72Å; H256-D282 IonicContact ND1-OD1 3.12Å; H256-D282 PolarHBondContact ND1-OD1 3.35Å; H256-D282 IonicContact ND1-OD2 3.16Å; H256-D282 PolarHBondContact ND1-OD2 3.28Å; L257-D282 HydrophobicContact CB-CB 4.25Å; L257-D282 PolarHBondContact N-OD2 3.45Å; Q258-D282 HydrophobicContact CB-CB 4.13Å; Q258-D282 HydrophobicContact CG-CB 4.08Å; S280-D282 WeakPolarHBondContact CB-OD1 3.34Å; S280-D282 PolarHBondContact O-N 3.06Å; S280-D282 PolarHBondContact OG-N 3.14Å; S280-D282 VanDerWaalsContact OG-N 3.15Å; S280-D282 PolarHBondContact OG-OD1 3.1Å; S280-D282 VanDerWaalsContact OG-OD1 3.06Å; S280-D282 PolarHBondContact OG-OD2 3.03Å; D282-S284 PolarHBondContact O-N 3.32Å; D282-S284 VanDerWaalsContact OD1-CB 3.29Å; D282-S284 WeakPolarHBondContact OD1-CB 3.35Å; D282-S284 PolarHBondContact OD1-N 2.82Å; D282-S284 PolarHBondContact OD1-OG 3.24Å
283	C	97.4	Very high	96.1	Very high	30 Å²	30	23.7 Å²	23.7	20%	0.203	14%	0.138	C	C	.	.	S	Bend	trans	67.1	16.7	-178.8	-48.8	0	0	0	0	114.4	S280 H281 V301 G305	S280-C283 PolarHBondContact O-N 2.87Å; H281-C283 PolarHBondContact O-N 2.9Å; C283-V301 PolarHBondContact O-N 2.94Å; C283-G305 VanDerWaalsContact SG-C 3.58Å; C283-G305 PolarHBondContact SG-O 2.86Å
284	S	97.8	Very high	96.7	Very high	5 Å²	5	24.8 Å²	24.8	4%	0.035	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	147.7	179.6	73.3	0	0	0	0	114.7	H256 S280 D282 L299	H256-S284 PolarHBondContact CE1-O 2.89Å; H256-S284 PolarHBondContact CE1-OG 3.3Å; H256-S284 PolarHBondContact ND1-OG 3.28Å; S280-S284 PolarHBondContact N-O 2.84Å; S280-S284 VanDerWaalsContact N-O 3.11Å; D282-S284 PolarHBondContact O-N 3.32Å; D282-S284 VanDerWaalsContact OD1-CB 3.29Å; D282-S284 WeakPolarHBondContact OD1-CB 3.35Å; D282-S284 PolarHBondContact OD1-N 2.82Å; D282-S284 PolarHBondContact OD1-OG 3.24Å; S284-L299 CarbonylContact C-O 3.59Å; S284-L299 WeakPolarHBondContact CA-O 3.34Å
285	V	98.4	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	133.2	164.4	-177.9	0	0	0	0	108.2	T278 I287 T298 L299 L307 L310 I330 M354	T278-V285 CarbonylContact O-C 3.58Å; T278-V285 VanDerWaalsContact O-CA 3.27Å; T278-V285 WeakPolarHBondContact O-CA 3.34Å; V285-I287 HydrophobicContact CG1-CD1 4.39Å; V285-T298 WeakPolarHBondContact O-CA 3.47Å; V285-L299 PolarHBondContact N-O 2.67Å; V285-L299 PolarHBondContact O-N 2.83Å; V285-L307 HydrophobicContact CG2-CD1 3.65Å; V285-L310 HydrophobicContact CG1-CD1 4.25Å; V285-L310 HydrophobicContact CG1-CD2 4.31Å; V285-L310 HydrophobicContact CG2-CD2 4.12Å; V285-I330 HydrophobicContact CB-CD1 4.46Å; V285-I330 HydrophobicContact CG2-CD1 3.83Å; V285-M354 HydrophobicContact CB-CE 4.16Å; V285-M354 HydrophobicContact CG1-CE 3.83Å
286	K	98.2	Very high	96.9	Very high	26 Å²	26	26.8 Å²	26.8	11%	0.113	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	141	177.8	-67.4	179.5	178.9	-75.8	0	110.7	G255 A277 T278 W288 G297 T298	G255-K286 WeakPolarHBondContact O-CE 3.25Å; A277-K286 CarbonylContact C-O 3.45Å; A277-K286 WeakPolarHBondContact CA-O 3.43Å; T278-K286 PolarHBondContact N-O 2.98Å; T278-K286 PolarHBondContact O-N 2.92Å; K286-W288 HydrophobicContact CB-CZ2 3.6Å; K286-W288 HydrophobicContact CD-CH2 3.79Å; K286-W288 HydrophobicContact CD-CZ2 3.42Å; K286-W288 VanDerWaalsContact CD-CZ2 3.42Å; K286-W288 HydrophobicContact CG-CZ2 4.13Å; K286-G297 WeakPolarHBondContact CA-O 3.41Å; K286-T298 HydrophobicContact CG-CG2 4.13Å; K286-T298 VanDerWaalsContact NZ-CG2 3.31Å; K286-T298 PolarHBondContact NZ-OG1 2.67Å
287	I	97.5	Very high	96.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	131.2	175	-48.6	-60.2	0	0	0	108.3	L266 Q275 I276 A277 V285 C295 L296 G297 L318 L332 L352 M354	L266-I287 HydrophobicContact CD1-CD1 4.14Å; L266-I287 HydrophobicContact CD1-CG2 3.83Å; Q275-I287 HydrophobicContact CB-CG2 4.25Å; Q275-I287 HydrophobicContact CG-CG2 4.47Å; I276-I287 CarbonylContact O-C 3.56Å; I276-I287 WeakPolarHBondContact O-CA 3.39Å; A277-I287 HydrophobicContact CB-CD1 3.55Å; V285-I287 HydrophobicContact CG1-CD1 4.39Å; I287-C295 CarbonylContact O-C 3.51Å; I287-L296 PolarHBondContact O-N 2.81Å; I287-G297 PolarHBondContact N-O 2.8Å; I287-G297 PolarHBondContact O-N 2.8Å; I287-L318 HydrophobicContact CD1-CD1 3.85Å; I287-L332 HydrophobicContact CD1-CD2 4.26Å; I287-L332 HydrophobicContact CG1-CD2 4.21Å; I287-L352 HydrophobicContact CB-CD2 3.69Å; I287-L352 HydrophobicContact CG1-CD2 3.7Å; I287-L352 HydrophobicContact CG2-CD2 3.69Å; I287-M354 HydrophobicContact CD1-CE 3.9Å; I287-M354 HydrophobicContact CG1-CE 3.57Å; I287-M354 HydrophobicContact CG1-SD 3.57Å; I287-M354 VanDerWaalsContact CG1-SD 3.57Å
288	W	97.4	Very high	96.7	Very high	5 Å²	5	30.1 Å²	30.1	2%	0.019	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143.1	-173.5	-46.5	87.6	0	0	0	109.9	Y253 R254 Q275 I276 T278 K286 Q290 V294 C295	Y253-W288 HydrophobicContact CD1-CB 3.52Å; Y253-W288 HydrophobicContact CD1-CD2 4Å; Y253-W288 HydrophobicContact CD1-CE3 4.21Å; Y253-W288 AromaticContact CD1-CG 3.7Å; Y253-W288 HydrophobicContact CD1-CG 3.7Å; Y253-W288 HydrophobicContact CE1-CB 3.86Å; Y253-W288 HydrophobicContact CE1-CG 4.47Å; Y253-W288 HydrophobicContact CG-CB 4.32Å; Y253-W288 HydrophobicContact CG-CD2 4.2Å; Y253-W288 HydrophobicContact CG-CG 4.06Å; R254-W288 VanDerWaalsContact O-CH2 3.29Å; R254-W288 WeakPolarHBondContact O-CH2 3.34Å; R254-W288 WeakPolarHBondContact O-CZ3 3.38Å; Q275-W288 CarbonylContact C-O 3.57Å; Q275-W288 WeakPolarHBondContact CA-O 3.47Å; I276-W288 PolarHBondContact N-O 3.23Å; I276-W288 PolarHBondContact O-N 3.02Å; T278-W288 PolarHBondContact OG1-NE1 3.33Å; K286-W288 HydrophobicContact CB-CZ2 3.6Å; K286-W288 HydrophobicContact CD-CH2 3.79Å; K286-W288 HydrophobicContact CD-CZ2 3.42Å; K286-W288 VanDerWaalsContact CD-CZ2 3.42Å; K286-W288 HydrophobicContact CG-CZ2 4.13Å; W288-Q290 PolarHBondContact O-N 3.33Å; W288-V294 WeakPolarHBondContact CA-O 3.15Å; W288-C295 HydrophobicContact CE3-CB 3.74Å; W288-C295 HydrophobicContact CH2-CB 4.3Å; W288-C295 HydrophobicContact CZ3-CB 3.59Å
289	D	95.4	Very high	96.6	Very high	20 Å²	20	31.1 Å²	31.1	11%	0.107	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	125.2	160	179.4	-90.6	0	0	0	108.9	S273 N291 T292 A293 V294 L296	S273-D289 WeakPolarHBondContact CB-OD2 3.34Å; S273-D289 PolarHBondContact OG-OD2 2.87Å; S273-D289 VanDerWaalsContact OG-OD2 3.11Å; D289-N291 VanDerWaalsContact C-N 3.29Å; D289-N291 PolarHBondContact O-N 3.15Å; D289-N291 PolarHBondContact OD1-N 3.05Å; D289-N291 VanDerWaalsContact OD1-N 3.14Å; D289-T292 VanDerWaalsContact CB-OG1 3.29Å; D289-T292 WeakPolarHBondContact CB-OG1 3.36Å; D289-T292 VanDerWaalsContact CG-OG1 3.24Å; D289-T292 WeakPolarHBondContact OD1-CB 3.48Å; D289-T292 WeakPolarHBondContact OD1-CG2 3.38Å; D289-T292 PolarHBondContact OD1-N 3.02Å; D289-T292 PolarHBondContact OD1-OG1 2.77Å; D289-A293 WeakPolarHBondContact O-CA 3.49Å; D289-A293 PolarHBondContact O-N 3.44Å; D289-V294 PolarHBondContact N-O 2.95Å; D289-L296 HydrophobicContact CB-CD1 4.14Å; D289-L296 HydrophobicContact CB-CD2 4.23Å; D289-L296 HydrophobicContact CB-CG 4.27Å
290	Q	95.4	Very high	96.5	Very high	16 Å²	16	34.6 Å²	34.6	8%	0.075	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-37.1	-171.8	177.6	-177	-44.1	0	0	112.6	L240 V251 Y253 A274 I276 W288	L240-Q290 HydrophobicContact CD1-CG 4.42Å; L240-Q290 HydrophobicContact CD2-CG 3.7Å; V251-Q290 WeakPolarHBondContact CG1-O 3.45Å; Y253-Q290 WeakPolarHBondContact OH-CA 3.43Å; Y253-Q290 PolarHBondContact OH-O 2.8Å; A274-Q290 HydrophobicContact CB-CB 3.97Å; A274-Q290 WeakPolarHBondContact O-CB 3.29Å; A274-Q290 PolarHBondContact O-N 2.97Å; I276-Q290 HydrophobicContact CD1-CG 4.2Å; I276-Q290 HydrophobicContact CG1-CB 4.23Å; I276-Q290 HydrophobicContact CG1-CG 4.28Å; W288-Q290 PolarHBondContact O-N 3.33Å
291	N	91.8	Very high	96.3	Very high	99 Å²	99	34.8 Å²	34.8	53%	0.529	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-32.8	-169.5	-62.6	-43.5	0	0	0	112.2	D289	D289-N291 VanDerWaalsContact C-N 3.29Å; D289-N291 PolarHBondContact O-N 3.15Å; D289-N291 PolarHBondContact OD1-N 3.05Å; D289-N291 VanDerWaalsContact OD1-N 3.14Å
292	T	94.3	Very high	95.8	Very high	89 Å²	89	38.9 Å²	38.9	55%	0.546	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-13.6	-176.1	63.6	0	0	0	0	113.4	D289 V294	D289-T292 VanDerWaalsContact CB-OG1 3.29Å; D289-T292 WeakPolarHBondContact CB-OG1 3.36Å; D289-T292 VanDerWaalsContact CG-OG1 3.24Å; D289-T292 WeakPolarHBondContact OD1-CB 3.48Å; D289-T292 WeakPolarHBondContact OD1-CG2 3.38Å; D289-T292 PolarHBondContact OD1-N 3.02Å; D289-T292 PolarHBondContact OD1-OG1 2.77Å; T292-V294 PolarHBondContact O-N 2.92Å; T292-V294 VanDerWaalsContact O-N 3.14Å; T292-V294 WeakPolarHBondContact OG1-CG2 3.2Å; T292-V294 PolarHBondContact OG1-N 3.04Å
293	A	96.1	Very high	95.5	Very high	20 Å²	20	40.3 Å²	40.3	17%	0.165	25%	0.252	C	S	.	.			trans	55.9	18.5	-171.5	0	0	0	0	0	114.9	V251 Y253 D289 C295	V251-A293 HydrophobicContact CB-CB 4.45Å; V251-A293 HydrophobicContact CG1-CB 4.17Å; V251-A293 HydrophobicContact CG2-CB 3.44Å; V251-A293 VanDerWaalsContact CG2-CB 3.44Å; Y253-A293 HydrophobicContact CD1-CB 3.59Å; Y253-A293 HydrophobicContact CE1-CB 3.87Å; D289-A293 WeakPolarHBondContact O-CA 3.49Å; D289-A293 PolarHBondContact O-N 3.44Å; A293-C295 PolarHBondContact O-N 3.18Å
294	V	96.1	Very high	95.2	Very high	77 Å²	77	38.9 Å²	38.9	47%	0.467	24%	0.242	S	C	.	.			trans	-65.9	127	170.6	173.8	0	0	0	0	108.7	W288 D289 T292 L296	W288-V294 WeakPolarHBondContact CA-O 3.15Å; D289-V294 PolarHBondContact N-O 2.95Å; T292-V294 PolarHBondContact O-N 2.92Å; T292-V294 VanDerWaalsContact O-N 3.14Å; T292-V294 WeakPolarHBondContact OG1-CG2 3.2Å; T292-V294 PolarHBondContact OG1-N 3.04Å; V294-L296 HydrophobicContact CG1-CD2 4.22Å; V294-L296 PolarHBondContact O-N 3.24Å
295	C	96.5	Very high	95	Very high	50 Å²	50	39.2 Å²	39.2	34%	0.338	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	110.2	171.1	-172	0	0	0	0	108.9	I287 W288 A293 G297 T298	I287-C295 CarbonylContact O-C 3.51Å; W288-C295 HydrophobicContact CE3-CB 3.74Å; W288-C295 HydrophobicContact CH2-CB 4.3Å; W288-C295 HydrophobicContact CZ3-CB 3.59Å; A293-C295 PolarHBondContact O-N 3.18Å; C295-G297 PolarHBondContact SG-O 3.22Å; C295-G297 VanDerWaalsContact SG-O 3.39Å; C295-T298 PolarHBondContact SG-OG1 2.67Å; C295-T298 VanDerWaalsContact SG-OG1 3.42Å
296	L	95.2	Very high	95	Very high	36 Å²	36	40.9 Å²	40.9	19%	0.188	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-35	-178.5	-58.4	177.7	0	0	0	111.9	Q275 I287 D289 V294 S351 L352	Q275-L296 HydrophobicContact CG-CD1 3.88Å; Q275-L296 VanDerWaalsContact NE2-CD1 3.3Å; I287-L296 PolarHBondContact O-N 2.81Å; D289-L296 HydrophobicContact CB-CD1 4.14Å; D289-L296 HydrophobicContact CB-CD2 4.23Å; D289-L296 HydrophobicContact CB-CG 4.27Å; V294-L296 HydrophobicContact CG1-CD2 4.22Å; V294-L296 PolarHBondContact O-N 3.24Å; L296-S351 WeakPolarHBondContact O-CA 3.29Å; L296-S351 PolarHBondContact O-OG 3.37Å; L296-L352 HydrophobicContact CB-CB 4.15Å; L296-L352 PolarHBondContact O-N 3.19Å
297	G	95.2	Very high	95	Very high	2 Å²	2	39.6 Å²	39.6	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	150.5	-179.1	0	0	0	0	0	112	K286 I287 C295	K286-G297 WeakPolarHBondContact CA-O 3.41Å; I287-G297 PolarHBondContact N-O 2.8Å; I287-G297 PolarHBondContact O-N 2.8Å; C295-G297 PolarHBondContact SG-O 3.22Å; C295-G297 VanDerWaalsContact SG-O 3.39Å
298	T	96.9	Very high	95	Very high	68 Å²	68	40.7 Å²	40.7	42%	0.417	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	127.4	171.7	-65.7	0	0	0	0	108.4	V285 K286 C295	V285-T298 WeakPolarHBondContact O-CA 3.47Å; K286-T298 HydrophobicContact CG-CG2 4.13Å; K286-T298 VanDerWaalsContact NZ-CG2 3.31Å; K286-T298 PolarHBondContact NZ-OG1 2.67Å; C295-T298 PolarHBondContact SG-OG1 2.67Å; C295-T298 VanDerWaalsContact SG-OG1 3.42Å
299	L	97.4	Very high	95	Very high	22 Å²	22	41 Å²	41	12%	0.115	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123	172	176.7	62.3	0	0	0	108.9	S284 V285 V301 I330 M354 V356	S284-L299 CarbonylContact C-O 3.59Å; S284-L299 WeakPolarHBondContact CA-O 3.34Å; V285-L299 PolarHBondContact N-O 2.67Å; V285-L299 PolarHBondContact O-N 2.83Å; L299-V301 HydrophobicContact CD2-CG2 4.37Å; L299-V301 HydrophobicContact CG-CG2 4.23Å; L299-I330 HydrophobicContact CD2-CB 4.38Å; L299-I330 HydrophobicContact CD2-CD1 4Å; L299-I330 HydrophobicContact CD2-CG1 3.91Å; L299-I330 HydrophobicContact CD2-CG2 3.61Å; L299-M354 HydrophobicContact CB-CB 3.92Å; L299-M354 HydrophobicContact CB-CE 3.84Å; L299-M354 HydrophobicContact CB-SD 4.24Å; L299-M354 HydrophobicContact CD2-CB 4.28Å; L299-V356 HydrophobicContact CD2-CG2 4.05Å
300	S	96.3	Very high	95.1	Very high	73 Å²	73	40.5 Å²	40.5	51%	0.51	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	128.8	167.9	-62.4	0	0	0	0	109.3
301	V	94.3	Very high	95.2	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.024	26%	0.258	C	S	.	.			trans	-105.5	85.5	177.8	-166.7	0	0	0	0	108.5	C283 L299 G303 A304 L307 Q328 V356	C283-V301 PolarHBondContact O-N 2.94Å; L299-V301 HydrophobicContact CD2-CG2 4.37Å; L299-V301 HydrophobicContact CG-CG2 4.23Å; V301-G303 PolarHBondContact O-N 2.87Å; V301-A304 HydrophobicContact CB-CB 3.92Å; V301-A304 HydrophobicContact CG1-CB 3.67Å; V301-A304 VanDerWaalsContact O-CB 3.24Å; V301-A304 WeakPolarHBondContact O-CB 3.34Å; V301-A304 PolarHBondContact O-N 2.84Å; V301-A304 VanDerWaalsContact O-N 3.16Å; V301-L307 HydrophobicContact CB-CD1 4.46Å; V301-L307 HydrophobicContact CG2-CD1 4.11Å; V301-Q328 HydrophobicContact CG1-CG 4.26Å; V301-V356 HydrophobicContact CG1-CG2 4.23Å; V301-V356 HydrophobicContact CG2-CG2 4.16Å
302	D	87.8	Confident	95.4	Very high	142 Å²	142	36.9 Å²	36.9	76%	0.759	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	133.7	-174.7	-68	-23.7	0	0	0	112	A304	D302-A304 PolarHBondContact O-N 3.29Å
303	G	89.6	Confident	95.3	Very high	63 Å²	63	33.3 Å²	33.3	65%	0.649	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	78	-6	179.9	0	0	0	0	0	115.4	V301 G305 N324	V301-G303 PolarHBondContact O-N 2.87Å; G303-G305 PolarHBondContact O-N 3.24Å; G303-N324 WeakPolarHBondContact O-CB 3.47Å
304	A	91.4	Very high	95	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	23%	0.226	C	C	.	.			trans	-68.5	-20.9	179.8	0	0	0	0	0	114	V301 D302 L307 S322 N324 A325	V301-A304 HydrophobicContact CB-CB 3.92Å; V301-A304 HydrophobicContact CG1-CB 3.67Å; V301-A304 VanDerWaalsContact O-CB 3.24Å; V301-A304 WeakPolarHBondContact O-CB 3.34Å; V301-A304 PolarHBondContact O-N 2.84Å; V301-A304 VanDerWaalsContact O-N 3.16Å; D302-A304 PolarHBondContact O-N 3.29Å; A304-L307 HydrophobicContact CB-CD2 3.77Å; A304-S322 WeakPolarHBondContact O-CB 3.21Å; A304-N324 WeakPolarHBondContact O-CB 3.36Å; A304-N324 PolarHBondContact O-N 2.94Å; A304-A325 HydrophobicContact CB-CB 3.99Å
305	G	94.9	Very high	94.7	Very high	11 Å²	11	34 Å²	34	11%	0.113	22%	0.219	C	C	.	.			trans	67.2	-158.6	-168.8	0	0	0	0	0	110.9	C283 G303 L307	C283-G305 VanDerWaalsContact SG-C 3.58Å; C283-G305 PolarHBondContact SG-O 2.86Å; G303-G305 PolarHBondContact O-N 3.24Å; G305-L307 PolarHBondContact O-N 3.07Å
306	P	97.3	Very high	94.4	Very high	35 Å²	35	34.7 Å²	34.7	23%	0.227	22%	0.22	C	C	.	.			trans	-55.2	130.6	179.8	-28.7	35.9	0	0	0	113.6	H281 V308 S322 F323	H281-P306 HydrophobicContact CB-CB 4.29Å; P306-V308 HydrophobicContact CB-CG1 4.01Å; P306-S322 WeakPolarHBondContact O-CA 3.33Å; P306-F323 HydrophobicContact CB-CD2 4.08Å; P306-F323 HydrophobicContact CB-CE2 4.41Å; P306-F323 HydrophobicContact CB-CG 4.27Å; P306-F323 HydrophobicContact CG-CD2 3.94Å; P306-F323 HydrophobicContact CG-CE2 4.44Å; P306-F323 HydrophobicContact CG-CG 4.45Å; P306-F323 PolarHBondContact O-N 3.24Å
307	L	98.3	Very high	94.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	105.8	172.9	-58.8	-175.1	0	0	0	109.6	A261 S279 S280 V285 V301 A304 G305 A321	A261-L307 WeakPolarHBondContact CB-O 3.44Å; S279-L307 WeakPolarHBondContact CB-O 3.29Å; S279-L307 PolarHBondContact OG-O 3.3Å; S280-L307 WeakPolarHBondContact O-CB 3.49Å; S280-L307 PolarHBondContact O-N 3.28Å; S280-L307 VanDerWaalsContact O-N 3.15Å; V285-L307 HydrophobicContact CG2-CD1 3.65Å; V301-L307 HydrophobicContact CB-CD1 4.46Å; V301-L307 HydrophobicContact CG2-CD1 4.11Å; A304-L307 HydrophobicContact CB-CD2 3.77Å; G305-L307 PolarHBondContact O-N 3.07Å; L307-A321 WeakPolarHBondContact CA-O 3.31Å
308	V	97.5	Very high	94.4	Very high	22 Å²	22	33.4 Å²	33.4	13%	0.133	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-18.7	-159.5	-66	0	0	0	0	115.3	I44 N45 P306 A321 F323	I44-V308 VanDerWaalsContact O-CG2 3.24Å; I44-V308 WeakPolarHBondContact O-CG2 3.43Å; N45-V308 WeakPolarHBondContact O-CG2 3.38Å; P306-V308 HydrophobicContact CB-CG1 4.01Å; V308-A321 HydrophobicContact CG2-CB 4.23Å; V308-A321 PolarHBondContact N-O 3.39Å; V308-F323 HydrophobicContact CB-CE1 4.13Å; V308-F323 HydrophobicContact CG1-CD1 3.94Å; V308-F323 HydrophobicContact CG1-CE1 3.44Å; V308-F323 VanDerWaalsContact CG1-CE1 3.44Å; V308-F323 HydrophobicContact CG1-CZ 3.77Å; V308-F323 HydrophobicContact CG2-CD1 4.07Å; V308-F323 HydrophobicContact CG2-CE1 3.73Å
309	S	98.1	Very high	94.5	Very high	12 Å²	12	30.2 Å²	30.2	8%	0.084	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	138.5	-178	176.7	0	0	0	0	109.9	V47 C320 A321	V47-S309 PolarHBondContact N-OG 3.46Å; V47-S309 PolarHBondContact O-OG 2.92Å; S309-C320 WeakPolarHBondContact O-CA 2.98Å; S309-A321 PolarHBondContact O-N 3.21Å
310	L	97.6	Very high	94.5	Very high	9 Å²	9	29.1 Å²	29.1	5%	0.047	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	141.1	176.7	-71.9	172.9	0	0	0	109.3	C262 T264 A277 T278 S279 V285 L319 C320	C262-L310 PolarHBondContact SG-N 2.84Å; C262-L310 VanDerWaalsContact SG-N 3.45Å; T264-L310 HydrophobicContact CG2-CB 4.24Å; A277-L310 HydrophobicContact CB-CD1 4.21Å; T278-L310 VanDerWaalsContact C-CD1 3.41Å; S279-L310 VanDerWaalsContact N-CD1 3.32Å; V285-L310 HydrophobicContact CG1-CD1 4.25Å; V285-L310 HydrophobicContact CG1-CD2 4.31Å; V285-L310 HydrophobicContact CG2-CD2 4.12Å; L310-L319 WeakPolarHBondContact CA-O 3.49Å; L310-C320 HydrophobicContact CD2-CB 3.61Å; L310-C320 VanDerWaalsContact CD2-SG 3.56Å
311	T	97.2	Very high	94.6	Very high	15 Å²	15	25.7 Å²	25.7	9%	0.092	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	125.4	169.1	-168.1	0	0	0	0	110.1	V47 N49 L319	V47-T311 HydrophobicContact CG1-CG2 4.02Å; V47-T311 HydrophobicContact CG2-CG2 4.03Å; N49-T311 PolarHBondContact N-OG1 2.76Å; T311-L319 HydrophobicContact CG2-CB 3.89Å; T311-L319 HydrophobicContact CG2-CD1 4.45Å; T311-L319 PolarHBondContact N-O 2.78Å; T311-L319 PolarHBondContact O-N 2.85Å
312	P	95.7	Very high	94.7	Very high	24 Å²	24	25.5 Å²	25.5	16%	0.156	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	133.1	170.3	28.4	-31.4	0	0	0	110	L266 P267 L318	L266-P312 HydrophobicContact CD2-CB 4.21Å; P267-P312 HydrophobicContact CG-CB 4.08Å; P267-P312 HydrophobicContact CG-CG 4.48Å; P312-L318 VanDerWaalsContact CA-CD2 3.46Å; P312-L318 HydrophobicContact CB-CD2 3.7Å
313	T	92.7	Very high	95	Very high	14 Å²	14	22.1 Å²	22.1	9%	0.086	14%	0.141	C	C	.	.			trans	-101.5	-33.9	176.7	59.1	0	0	0	0	111.8	N49 W69 S317 L319	N49-T313 WeakPolarHBondContact OD1-CG2 2.89Å; W69-T313 HydrophobicContact CZ2-CG2 3.87Å; W69-T313 WeakPolarHBondContact CZ2-OG1 3.47Å; T313-S317 PolarHBondContact N-O 3.2Å; T313-S317 WeakPolarHBondContact OG1-CB 3.36Å; T313-S317 PolarHBondContact OG1-O 2.6Å; T313-L319 HydrophobicContact CG2-CD1 3.68Å; T313-L319 HydrophobicContact CG2-CG 3.61Å
314	D	90	Very high	95.1	Very high	59 Å²	59	25 Å²	25	32%	0.316	14%	0.141	S	C	.	.	S	Bend	trans	-150.2	-165.4	171	62.4	46.3	0	0	0	110.2	N316 S317	D314-N316 PolarHBondContact O-N 2.78Å; D314-N316 VanDerWaalsContact OD1-C 3.3Å; D314-N316 WeakPolarHBondContact OD1-CA 3.32Å; D314-N316 PolarHBondContact OD1-N 2.86Å; D314-S317 VanDerWaalsContact OD1-CB 3.27Å; D314-S317 WeakPolarHBondContact OD1-CB 3.29Å; D314-S317 PolarHBondContact OD1-N 3.2Å; D314-S317 PolarHBondContact OD1-OG 3.27Å; D314-S317 PolarHBondContact OD2-OG 2.94Å
315	T	88.6	Confident	94.9	Very high	52 Å²	52	26.4 Å²	26.4	32%	0.319	15%	0.154	S	C	.	.	S	Bend	trans	-71.9	-16.8	-178.4	57.5	0	0	0	0	113.8	P267 F269 Q334	P267-T315 HydrophobicContact CB-CG2 4.15Å; F269-T315 HydrophobicContact CB-CG2 3.99Å; T315-Q334 PolarHBondContact O-NE2 2.85Å
316	N	90.9	Very high	94.9	Very high	66 Å²	66	26.7 Å²	26.7	35%	0.353	16%	0.156	S	C	.	.	S	Bend	trans	-126.4	2.6	-171.8	-63	-4.5	0	0	0	112.9	D314 Q331 L332	D314-N316 PolarHBondContact O-N 2.78Å; D314-N316 VanDerWaalsContact OD1-C 3.3Å; D314-N316 WeakPolarHBondContact OD1-CA 3.32Å; D314-N316 PolarHBondContact OD1-N 2.86Å; N316-Q331 CarbonylContact O-C 3.58Å; N316-Q331 WeakPolarHBondContact O-CA 3.28Å; N316-L332 PolarHBondContact O-N 2.75Å
317	S	94.1	Very high	94.9	Very high	10 Å²	10	25 Å²	25	7%	0.07	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	135.6	-174	-63.4	0	0	0	0	111.6	T313 D314 H329 I330	T313-S317 PolarHBondContact N-O 3.2Å; T313-S317 WeakPolarHBondContact OG1-CB 3.36Å; T313-S317 PolarHBondContact OG1-O 2.6Å; D314-S317 VanDerWaalsContact OD1-CB 3.27Å; D314-S317 WeakPolarHBondContact OD1-CB 3.29Å; D314-S317 PolarHBondContact OD1-N 3.2Å; D314-S317 PolarHBondContact OD1-OG 3.27Å; D314-S317 PolarHBondContact OD2-OG 2.94Å; S317-H329 PolarHBondContact OG-NE2 3.37Å; S317-I330 WeakPolarHBondContact CA-O 3.22Å
318	L	96.3	Very high	94.8	Very high	1 Å²	1	25 Å²	25	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	142.3	172.8	-67.9	175.8	0	0	0	109.4	L266 A277 I287 P312 I330 L332	L266-L318 HydrophobicContact CD2-CD1 4.37Å; L266-L318 HydrophobicContact CD2-CD2 3.53Å; L266-L318 HydrophobicContact CD2-CG 4.39Å; A277-L318 HydrophobicContact CB-CD1 4.07Å; I287-L318 HydrophobicContact CD1-CD1 3.85Å; P312-L318 VanDerWaalsContact CA-CD2 3.46Å; P312-L318 HydrophobicContact CB-CD2 3.7Å; L318-I330 HydrophobicContact CB-CB 4.25Å; L318-I330 PolarHBondContact N-O 3.21Å; L318-I330 PolarHBondContact O-N 3.31Å; L318-L332 HydrophobicContact CD1-CD1 4Å; L318-L332 HydrophobicContact CD1-CD2 4.09Å; L318-L332 HydrophobicContact CD1-CG 4.38Å; L318-L332 HydrophobicContact CG-CD1 4.05Å; L318-L332 HydrophobicContact CG-CG 4.44Å
319	L	97.9	Very high	94.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	140.5	162.4	-59.5	178.1	0	0	0	109.5	V47 C55 W69 L310 T311 T313 Q328 H329 F360	V47-L319 HydrophobicContact CG2-CB 4.36Å; V47-L319 HydrophobicContact CG2-CD1 4.46Å; C55-L319 HydrophobicContact CB-CD1 3.4Å; W69-L319 HydrophobicContact CB-CD1 4.5Å; W69-L319 HydrophobicContact CB-CD2 4.4Å; W69-L319 HydrophobicContact CD2-CD1 4.47Å; W69-L319 HydrophobicContact CD2-CD2 4.24Å; W69-L319 HydrophobicContact CG-CD1 3.99Å; W69-L319 HydrophobicContact CG-CD2 4.21Å; L310-L319 WeakPolarHBondContact CA-O 3.49Å; T311-L319 HydrophobicContact CG2-CB 3.89Å; T311-L319 HydrophobicContact CG2-CD1 4.45Å; T311-L319 PolarHBondContact N-O 2.78Å; T311-L319 PolarHBondContact O-N 2.85Å; T313-L319 HydrophobicContact CG2-CD1 3.68Å; T313-L319 HydrophobicContact CG2-CG 3.61Å; L319-Q328 CarbonylContact C-O 3.51Å; L319-Q328 WeakPolarHBondContact CA-O 3.35Å; L319-H329 HydrophobicContact CD2-CB 3.87Å; L319-F360 HydrophobicContact CD1-CZ 4.48Å; L319-F360 HydrophobicContact CD2-CE1 4.22Å; L319-F360 HydrophobicContact CD2-CZ 3.85Å
320	C	98.1	Very high	94.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	126.3	179.9	-172.3	0	0	0	0	110.7	S309 L310 L327 Q328 I330	S309-C320 WeakPolarHBondContact O-CA 2.98Å; L310-C320 HydrophobicContact CD2-CB 3.61Å; L310-C320 VanDerWaalsContact CD2-SG 3.56Å; C320-L327 CarbonylContact O-C 3.55Å; C320-L327 WeakPolarHBondContact O-CA 3.33Å; C320-Q328 HydrophobicContact CB-CB 4.32Å; C320-Q328 PolarHBondContact N-O 3.45Å; C320-Q328 PolarHBondContact O-N 3.19Å; C320-I330 HydrophobicContact CB-CD1 3.81Å
321	A	97.9	Very high	94.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	137.8	171.6	0	0	0	0	0	111.3	I44 V47 L307 V308 S309 L327	I44-A321 HydrophobicContact CB-CB 4.09Å; I44-A321 HydrophobicContact CG2-CB 3.7Å; V47-A321 HydrophobicContact CB-CB 4.39Å; V47-A321 HydrophobicContact CG1-CB 4.05Å; L307-A321 WeakPolarHBondContact CA-O 3.31Å; V308-A321 HydrophobicContact CG2-CB 4.23Å; V308-A321 PolarHBondContact N-O 3.39Å; S309-A321 PolarHBondContact O-N 3.21Å; A321-L327 HydrophobicContact CB-CD2 3.99Å
322	S	96.5	Very high	94.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	158	177.5	76.5	0	0	0	0	111.9	I44 A304 P306 A325 G326	I44-S322 PolarHBondContact N-O 2.75Å; A304-S322 WeakPolarHBondContact O-CB 3.21Å; P306-S322 WeakPolarHBondContact O-CA 3.33Å; S322-A325 VanDerWaalsContact OG-C 3.23Å; S322-A325 WeakPolarHBondContact OG-CA 3.26Å; S322-A325 PolarHBondContact OG-N 3.21Å; S322-A325 VanDerWaalsContact OG-N 3.08Å; S322-G326 WeakPolarHBondContact CB-O 3.4Å; S322-G326 PolarHBondContact N-O 3.03Å; S322-G326 PolarHBondContact OG-N 3.47Å; S322-G326 VanDerWaalsContact OG-N 3.16Å; S322-G326 PolarHBondContact OG-O 2.92Å
323	F	94.4	Very high	94	Very high	72 Å²	72	27.2 Å²	27.2	32%	0.316	15%	0.151	S	C	.	.	S	Bend	trans	-78.7	-29.8	179.8	-79.6	8.8	0	0	0	113.9	S43 P306 V308	S43-F323 WeakPolarHBondContact CA-O 3.25Å; S43-F323 WeakPolarHBondContact CB-O 3.45Å; P306-F323 HydrophobicContact CB-CD2 4.08Å; P306-F323 HydrophobicContact CB-CE2 4.41Å; P306-F323 HydrophobicContact CB-CG 4.27Å; P306-F323 HydrophobicContact CG-CD2 3.94Å; P306-F323 HydrophobicContact CG-CE2 4.44Å; P306-F323 HydrophobicContact CG-CG 4.45Å; P306-F323 PolarHBondContact O-N 3.24Å; V308-F323 HydrophobicContact CB-CE1 4.13Å; V308-F323 HydrophobicContact CG1-CD1 3.94Å; V308-F323 HydrophobicContact CG1-CE1 3.44Å; V308-F323 VanDerWaalsContact CG1-CE1 3.44Å; V308-F323 HydrophobicContact CG1-CZ 3.77Å; V308-F323 HydrophobicContact CG2-CD1 4.07Å; V308-F323 HydrophobicContact CG2-CE1 3.73Å
324	N	92.4	Very high	92.9	Very high	122 Å²	122	29 Å²	29	65%	0.652	16%	0.158	S	C	*	.	S	Bend	trans	-115.9	-20.1	-172.2	-60.1	-9.7	0	0	0	114.1	G303 A304	G303-N324 WeakPolarHBondContact O-CB 3.47Å; A304-N324 WeakPolarHBondContact O-CB 3.36Å; A304-N324 PolarHBondContact O-N 2.94Å
325	A	87.3	Confident	91.4	Very high	31 Å²	31	29.2 Å²	29.2	26%	0.256	17%	0.174	S	C	.	.	S	Bend	trans	-121.7	18	-172.6	0	0	0	0	0	113.8	A304 S322 Q328	A304-A325 HydrophobicContact CB-CB 3.99Å; S322-A325 VanDerWaalsContact OG-C 3.23Å; S322-A325 WeakPolarHBondContact OG-CA 3.26Å; S322-A325 PolarHBondContact OG-N 3.21Å; S322-A325 VanDerWaalsContact OG-N 3.08Å; A325-Q328 PolarHBondContact O-NE2 2.85Å
326	G	94.3	Very high	89.1	Confident	16 Å²	16	32 Å²	32	17%	0.165	20%	0.195	C	C	.	.			trans	68.6	-147.4	179.3	0	0	0	0	0	113.4	S322 F360	S322-G326 WeakPolarHBondContact CB-O 3.4Å; S322-G326 PolarHBondContact N-O 3.03Å; S322-G326 PolarHBondContact OG-N 3.47Å; S322-G326 VanDerWaalsContact OG-N 3.16Å; S322-G326 PolarHBondContact OG-O 2.92Å; G326-F360 CarbonylContact C-O 3.56Å; G326-F360 WeakPolarHBondContact CA-O 3.26Å
327	L	96.9	Very high	86.8	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	142	172	-65.9	174.9	0	0	0	110.1	A39 I44 V47 C320 A321 R359 F360	A39-L327 HydrophobicContact CB-CD1 4.22Å; I44-L327 HydrophobicContact CD1-CB 4.47Å; I44-L327 HydrophobicContact CD1-CD1 4.45Å; I44-L327 HydrophobicContact CD1-CD2 3.96Å; I44-L327 HydrophobicContact CD1-CG 3.59Å; I44-L327 HydrophobicContact CG2-CD2 4.06Å; V47-L327 HydrophobicContact CB-CD2 3.85Å; V47-L327 HydrophobicContact CG1-CD2 4.3Å; V47-L327 HydrophobicContact CG2-CD2 3.89Å; C320-L327 CarbonylContact O-C 3.55Å; C320-L327 WeakPolarHBondContact O-CA 3.33Å; A321-L327 HydrophobicContact CB-CD2 3.99Å; L327-R359 WeakPolarHBondContact O-CA 3.41Å; L327-F360 WeakPolarHBondContact CA-O 3.5Å; L327-F360 HydrophobicContact CB-CD1 4.39Å; L327-F360 HydrophobicContact CB-CD2 3.7Å; L327-F360 HydrophobicContact CB-CE1 4.2Å; L327-F360 HydrophobicContact CB-CE2 3.53Å; L327-F360 HydrophobicContact CB-CG 4.13Å; L327-F360 HydrophobicContact CB-CZ 3.77Å; L327-F360 HydrophobicContact CD1-CD2 3.71Å; L327-F360 HydrophobicContact CD1-CE2 3.27Å; L327-F360 HydrophobicContact CD1-CZ 4.13Å; L327-F360 HydrophobicContact CG-CD2 4.27Å; L327-F360 HydrophobicContact CG-CE2 4Å; L327-F360 PolarHBondContact N-O 2.91Å; L327-F360 PolarHBondContact O-N 2.97Å
328	Q	96.8	Very high	83.9	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	129.2	175.7	-52.8	-74.8	-60.5	0	0	108.5	V301 L319 C320 A325 I330 V356 R359	V301-Q328 HydrophobicContact CG1-CG 4.26Å; L319-Q328 CarbonylContact C-O 3.51Å; L319-Q328 WeakPolarHBondContact CA-O 3.35Å; C320-Q328 HydrophobicContact CB-CB 4.32Å; C320-Q328 PolarHBondContact N-O 3.45Å; C320-Q328 PolarHBondContact O-N 3.19Å; A325-Q328 PolarHBondContact O-NE2 2.85Å; Q328-I330 HydrophobicContact CB-CG1 4.4Å; Q328-V356 HydrophobicContact CB-CG1 4.42Å; Q328-V356 VanDerWaalsContact OE1-CG1 3.28Å; Q328-R359 VanDerWaalsContact NE2-CD 3.33Å
329	H	96.9	Very high	81.2	Confident	24 Å²	24	49.9 Å²	49.9	11%	0.111	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	116.2	163.7	177.6	-153.5	0	0	0	108.9	W69 S317 L319 V356 V357 A358 F360	W69-H329 AromaticContact CE3-CE1 3.96Å; W69-H329 AromaticContact CE3-ND1 3.89Å; W69-H329 AromaticContact CZ3-CE1 3.39Å; W69-H329 WeakPolarHBondContact CZ3-CE1 3.27Å; W69-H329 AromaticContact CZ3-ND1 3.79Å; W69-H329 AromaticContact CZ3-NE2 3.54Å; S317-H329 PolarHBondContact OG-NE2 3.37Å; L319-H329 HydrophobicContact CD2-CB 3.87Å; H329-V356 WeakPolarHBondContact O-CA 3.34Å; H329-V357 HydrophobicContact CB-CG2 4.08Å; H329-V357 VanDerWaalsContact CE1-CG2 3.49Å; H329-V357 WeakPolarHBondContact CE1-CG2 3.28Å; H329-V357 WeakPolarHBondContact ND1-CG2 3.07Å; H329-V357 WeakPolarHBondContact O-CG2 3.33Å; H329-V357 PolarHBondContact O-N 3.07Å; H329-A358 HydrophobicContact CB-CB 4.07Å; H329-A358 PolarHBondContact N-O 3.05Å; H329-F360 HydrophobicContact CB-CE1 4.18Å
330	I	96.9	Very high	78	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.2	179.9	-61.4	166.7	0	0	0	108.2	V285 L299 S317 L318 C320 Q328 L332 M354 R355 V356	V285-I330 HydrophobicContact CB-CD1 4.46Å; V285-I330 HydrophobicContact CG2-CD1 3.83Å; L299-I330 HydrophobicContact CD2-CB 4.38Å; L299-I330 HydrophobicContact CD2-CD1 4Å; L299-I330 HydrophobicContact CD2-CG1 3.91Å; L299-I330 HydrophobicContact CD2-CG2 3.61Å; S317-I330 WeakPolarHBondContact CA-O 3.22Å; L318-I330 HydrophobicContact CB-CB 4.25Å; L318-I330 PolarHBondContact N-O 3.21Å; L318-I330 PolarHBondContact O-N 3.31Å; C320-I330 HydrophobicContact CB-CD1 3.81Å; Q328-I330 HydrophobicContact CB-CG1 4.4Å; I330-L332 HydrophobicContact CG2-CD2 4.22Å; I330-M354 HydrophobicContact CG2-CE 4.37Å; I330-R355 CarbonylContact C-O 3.58Å; I330-R355 WeakPolarHBondContact CA-O 3.03Å; I330-V356 HydrophobicContact CG1-CG2 4.35Å
331	Q	95.4	Very high	75.2	Confident	58 Å²	58	62.5 Å²	62.5	27%	0.271	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	134.4	172.7	-170.2	169.1	24.7	0	0	110.1	N316 M354 R355 V357	N316-Q331 CarbonylContact O-C 3.58Å; N316-Q331 WeakPolarHBondContact O-CA 3.28Å; Q331-M354 WeakPolarHBondContact O-CA 3.46Å; Q331-R355 HydrophobicContact CB-CG 4.4Å; Q331-R355 PolarHBondContact N-O 2.99Å; Q331-R355 PolarHBondContact O-N 3.26Å; Q331-R355 VanDerWaalsContact O-N 3.1Å; Q331-V357 HydrophobicContact CB-CG1 3.78Å; Q331-V357 HydrophobicContact CB-CG2 4.38Å
332	L	93.3	Very high	72.4	Confident	2 Å²	2	68.8 Å²	68.8	1%	0.01	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	101.8	174.6	-51.3	-180	0	0	0	108.3	L266 I287 N316 L318 I330 Q334 L352 M354	L266-L332 HydrophobicContact CD1-CD1 4.08Å; I287-L332 HydrophobicContact CD1-CD2 4.26Å; I287-L332 HydrophobicContact CG1-CD2 4.21Å; N316-L332 PolarHBondContact O-N 2.75Å; L318-L332 HydrophobicContact CD1-CD1 4Å; L318-L332 HydrophobicContact CD1-CD2 4.09Å; L318-L332 HydrophobicContact CD1-CG 4.38Å; L318-L332 HydrophobicContact CG-CD1 4.05Å; L318-L332 HydrophobicContact CG-CG 4.44Å; I330-L332 HydrophobicContact CG2-CD2 4.22Å; L332-Q334 PolarHBondContact O-N 3.32Å; L332-Q334 VanDerWaalsContact O-N 3.15Å; L332-L352 HydrophobicContact CD2-CD2 4.45Å; L332-M354 HydrophobicContact CD2-CE 3.86Å; L332-M354 HydrophobicContact CD2-CG 3.81Å; L332-M354 HydrophobicContact CD2-SD 4.42Å
333	D	86.4	Confident	69.4	Low	45 Å²	45	72.5 Å²	72.5	24%	0.241	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	89.1	177.1	-76.9	-17	0	0	0	108.7	G335 N353 R355	D333-G335 VanDerWaalsContact C-N 3.34Å; D333-G335 PolarHBondContact O-N 3.44Å; D333-N353 HydrophobicContact CB-CB 4.03Å; D333-N353 PolarHBondContact N-O 3.27Å; D333-R355 IonicContact OD1-NH2 2.8Å; D333-R355 IonicContact OD2-CZ 3.34Å; D333-R355 IonicContact OD2-NH1 3.35Å; D333-R355 PolarHBondContact OD2-NH1 3.16Å; D333-R355 IonicContact OD2-NH2 3.15Å; D333-R355 PolarHBondContact OD2-NH2 3.34Å; D333-R355 VanDerWaalsContact OD2-NH2 3.12Å
334	Q	69.8	Low	66.5	Low	52 Å²	52	73.6 Å²	73.6	24%	0.243	48%	0.478	C	S	.	.			trans	-73.5	91.4	168.7	-51.9	-156.3	32.5	0	0	107.6	F269 T315 L332 S336 L352	F269-Q334 VanDerWaalsContact CE1-CD 3.49Å; T315-Q334 PolarHBondContact O-NE2 2.85Å; L332-Q334 PolarHBondContact O-N 3.32Å; L332-Q334 VanDerWaalsContact O-N 3.15Å; Q334-S336 PolarHBondContact O-N 3.42Å; Q334-L352 HydrophobicContact CB-CD1 4.34Å; Q334-L352 HydrophobicContact CG-CD1 3.72Å
335	G	57.9	Low	63.9	Low	62 Å²	62	73.4 Å²	73.4	64%	0.639	49%	0.487	S	S	*	.			trans	-45.3	134.6	-177	0	0	0	0	0	111.7	D333 L337	D333-G335 VanDerWaalsContact C-N 3.34Å; D333-G335 PolarHBondContact O-N 3.44Å; G335-L337 PolarHBondContact O-N 3.29Å
336	S	40.5	Very low	61.3	Low	110 Å²	110	77.5 Å²	77.5	77%	0.769	51%	0.513	S	S	*	.			trans	-57.8	102.5	179.5	51.2	0	0	0	0	109.8	Q334 Q338	Q334-S336 PolarHBondContact O-N 3.42Å; S336-Q338 PolarHBondContact O-N 2.82Å
337	L	42.4	Very low	58.3	Low	183 Å²	183	81 Å²	81	96%	0.958	55%	0.55	S	S	*	.			trans	-70.4	39.6	166.1	-82.3	163.5	0	0	0	111.3	G335	G335-L337 PolarHBondContact O-N 3.29Å
338	Q	33.8	Very low	55.2	Low	174 Å²	174	84.1 Å²	84.1	81%	0.813	58%	0.581	S	S	*	*			trans	-116.2	109.3	174.5	-78.3	-169.7	-4.6	0	0	110.8	S336	S336-Q338 PolarHBondContact O-N 2.82Å
339	A	38.2	Very low	52.6	Low	97 Å²	97	88.6 Å²	88.6	80%	0.802	62%	0.619	S	S	*	*			trans	59.8	85.5	151.3	0	0	0	0	0	118.3
340	Q	32.3	Very low	50.6	Low	200 Å²	200	91 Å²	91	94%	0.935	65%	0.649	S	S	*	*			trans	-108.6	109.1	132.9	-75.7	-165.9	-1.5	0	0	108.9
341	G	37.7	Very low	49.4	Very low	65 Å²	65	95.6 Å²	95.6	67%	0.67	68%	0.682	S	S	*	*			trans	-65.7	145.2	166.6	0	0	0	0	0	110.8
342	S	40	Very low	49.1	Very low	131 Å²	131	93.6 Å²	93.6	92%	0.916	67%	0.673	S	S	*	*	S	Bend	trans	64.7	107.1	166.4	63.1	0	0	0	0	118.4
343	G	34.3	Very low	48.9	Very low	78 Å²	78	97.8 Å²	97.8	80%	0.804	70%	0.695	S	S	*	*			trans	139.3	96.2	149.7	0	0	0	0	0	115.9
344	A	33.8	Very low	49.4	Very low	95 Å²	95	96.3 Å²	96.3	79%	0.785	69%	0.687	S	S	*	*			trans	36	103.8	150.9	0	0	0	0	0	120.5
345	S	37.5	Very low	50.6	Low	119 Å²	119	97.6 Å²	97.6	83%	0.832	69%	0.69	S	S	*	*			trans	32.6	107	138.6	63.6	0	0	0	0	120.7
346	S	31.6	Very low	52.4	Low	116 Å²	116	95.3 Å²	95.3	81%	0.811	66%	0.663	S	S	*	*				-152.6	112.6	125.6	61.3	0	0	0	0	109.3	G348	S346-G348 PolarHBondContact O-N 3.33Å
347	G	32.4	Very low	55	Low	91 Å²	91	91.2 Å²	91.2	94%	0.938	63%	0.634	S	S	*	*			trans	-72.5	70.2	-179.2	0	0	0	0	0	113.2
348	G	31.8	Very low	57.6	Low	64 Å²	64	82.6 Å²	82.6	66%	0.66	59%	0.589	S	S	*	*			trans	-79.4	112.2	158	0	0	0	0	0	108	S346 G350	S346-G348 PolarHBondContact O-N 3.33Å; G348-G350 PolarHBondContact O-N 3.46Å
349	A	42.1	Very low	60.5	Low	95 Å²	95	77.8 Å²	77.8	79%	0.785	56%	0.563	S	S	*	*			trans	-55.1	111.3	162.2	0	0	0	0	0	106.5	S351	A349-S351 PolarHBondContact O-N 3.37Å
350	G	54	Low	63.2	Low	73 Å²	73	73.3 Å²	73.3	75%	0.753	53%	0.526	S	S	*	.			trans	-56	114.3	179.4	0	0	0	0	0	108.2	G348 L352	G348-G350 PolarHBondContact O-N 3.46Å; G350-L352 PolarHBondContact O-N 2.85Å
351	S	73.1	Confident	64.7	Low	97 Å²	97	67 Å²	67	68%	0.678	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-61	128.5	175.3	-177.4	0	0	0	0	107.9	L296 A349 N353	L296-S351 WeakPolarHBondContact O-CA 3.29Å; L296-S351 PolarHBondContact O-OG 3.37Å; A349-S351 PolarHBondContact O-N 3.37Å; S351-N353 PolarHBondContact O-N 3.32Å
352	L	87.5	Confident	66.2	Low	17 Å²	17	67.1 Å²	67.1	9%	0.089	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-59.5	120	174.3	177.8	70.7	0	0	0	108.1	I287 L296 L332 Q334 G350 M354	I287-L352 HydrophobicContact CB-CD2 3.69Å; I287-L352 HydrophobicContact CG1-CD2 3.7Å; I287-L352 HydrophobicContact CG2-CD2 3.69Å; L296-L352 HydrophobicContact CB-CB 4.15Å; L296-L352 PolarHBondContact O-N 3.19Å; L332-L352 HydrophobicContact CD2-CD2 4.45Å; Q334-L352 HydrophobicContact CB-CD1 4.34Å; Q334-L352 HydrophobicContact CG-CD1 3.72Å; G350-L352 PolarHBondContact O-N 2.85Å; L352-M354 HydrophobicContact CD2-CG 4.29Å; L352-M354 HydrophobicContact CG-CG 4.26Å
353	N	90.6	Very high	67.6	Low	89 Å²	89	63.6 Å²	63.6	48%	0.476	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	132.3	177.6	-173.3	1.5	0	0	0	109.1	D333 S351	D333-N353 HydrophobicContact CB-CB 4.03Å; D333-N353 PolarHBondContact N-O 3.27Å; S351-N353 PolarHBondContact O-N 3.32Å
354	M	95.3	Very high	69.6	Low	15 Å²	15	62.7 Å²	62.7	7%	0.074	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	131.8	-177.3	-60.1	172.4	67.2	0	0	108.2	V285 I287 L299 I330 Q331 L332 L352	V285-M354 HydrophobicContact CB-CE 4.16Å; V285-M354 HydrophobicContact CG1-CE 3.83Å; I287-M354 HydrophobicContact CD1-CE 3.9Å; I287-M354 HydrophobicContact CG1-CE 3.57Å; I287-M354 HydrophobicContact CG1-SD 3.57Å; I287-M354 VanDerWaalsContact CG1-SD 3.57Å; L299-M354 HydrophobicContact CB-CB 3.92Å; L299-M354 HydrophobicContact CB-CE 3.84Å; L299-M354 HydrophobicContact CB-SD 4.24Å; L299-M354 HydrophobicContact CD2-CB 4.28Å; I330-M354 HydrophobicContact CG2-CE 4.37Å; Q331-M354 WeakPolarHBondContact O-CA 3.46Å; L332-M354 HydrophobicContact CD2-CE 3.86Å; L332-M354 HydrophobicContact CD2-CG 3.81Å; L332-M354 HydrophobicContact CD2-SD 4.42Å; L352-M354 HydrophobicContact CD2-CG 4.29Å; L352-M354 HydrophobicContact CG-CG 4.26Å
355	R	95.4	Very high	71.8	Confident	79 Å²	79	60.7 Å²	60.7	30%	0.298	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	147.7	174.6	59.8	166.8	179.2	-96.1	-13.4	111.9	I330 Q331 D333 V357	I330-R355 CarbonylContact C-O 3.58Å; I330-R355 WeakPolarHBondContact CA-O 3.03Å; Q331-R355 HydrophobicContact CB-CG 4.4Å; Q331-R355 PolarHBondContact N-O 2.99Å; Q331-R355 PolarHBondContact O-N 3.26Å; Q331-R355 VanDerWaalsContact O-N 3.1Å; D333-R355 IonicContact OD1-NH2 2.8Å; D333-R355 IonicContact OD2-CZ 3.34Å; D333-R355 IonicContact OD2-NH1 3.35Å; D333-R355 PolarHBondContact OD2-NH1 3.16Å; D333-R355 IonicContact OD2-NH2 3.15Å; D333-R355 PolarHBondContact OD2-NH2 3.34Å; D333-R355 VanDerWaalsContact OD2-NH2 3.12Å; R355-V357 HydrophobicContact CG-CG1 3.87Å
356	V	96.2	Very high	74.1	Confident	14 Å²	14	56.8 Å²	56.8	9%	0.085	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	127.5	164.3	-178.8	0	0	0	0	107.6	V33 L299 V301 Q328 H329 I330 R359	V33-V356 HydrophobicContact CG1-CG1 3.84Å; L299-V356 HydrophobicContact CD2-CG2 4.05Å; V301-V356 HydrophobicContact CG1-CG2 4.23Å; V301-V356 HydrophobicContact CG2-CG2 4.16Å; Q328-V356 HydrophobicContact CB-CG1 4.42Å; Q328-V356 VanDerWaalsContact OE1-CG1 3.28Å; H329-V356 WeakPolarHBondContact O-CA 3.34Å; I330-V356 HydrophobicContact CG1-CG2 4.35Å; V356-R359 HydrophobicContact CG1-CG 4.14Å
357	V	95.8	Very high	77.1	Confident	24 Å²	24	52.6 Å²	52.6	15%	0.145	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	-25.8	178.5	-63.9	0	0	0	0	112.7	L34 H329 Q331 R355	L34-V357 PolarHBondContact N-O 2.82Å; H329-V357 HydrophobicContact CB-CG2 4.08Å; H329-V357 VanDerWaalsContact CE1-CG2 3.49Å; H329-V357 WeakPolarHBondContact CE1-CG2 3.28Å; H329-V357 WeakPolarHBondContact ND1-CG2 3.07Å; H329-V357 WeakPolarHBondContact O-CG2 3.33Å; H329-V357 PolarHBondContact O-N 3.07Å; Q331-V357 HydrophobicContact CB-CG1 3.78Å; Q331-V357 HydrophobicContact CB-CG2 4.38Å; R355-V357 HydrophobicContact CG-CG1 3.87Å
358	A	95.7	Very high	80.6	Confident	2 Å²	2	49.6 Å²	49.6	2%	0.017	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	155.9	174.3	0	0	0	0	0	112.5	L34 Y36 H329	L34-A358 HydrophobicContact CB-CB 3.97Å; L34-A358 CarbonylContact O-C 3.58Å; L34-A358 WeakPolarHBondContact O-CA 3.5Å; Y36-A358 HydrophobicContact CD2-CB 4.16Å; Y36-A358 HydrophobicContact CE2-CB 3.7Å; H329-A358 HydrophobicContact CB-CB 4.07Å; H329-A358 PolarHBondContact N-O 3.05Å
359	R	95.9	Very high	84.6	Confident	72 Å²	72	48.4 Å²	48.4	27%	0.272	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	139.7	172.2	-59.8	-170.8	173.9	118.6	-0.2	110.1	V33 L34 Q35 Y36 L327 Q328 V356	V33-R359 HydrophobicContact CG1-CG 3.91Å; L34-R359 PolarHBondContact O-N 3.3Å; Q35-R359 PolarHBondContact NE2-O 2.97Å; Y36-R359 PolarHBondContact N-O 3.33Å; L327-R359 WeakPolarHBondContact O-CA 3.41Å; Q328-R359 VanDerWaalsContact NE2-CD 3.33Å; V356-R359 HydrophobicContact CG1-CG 4.14Å
360	F	94.2	Very high	88.5	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.018	26%	0.264	C	S	.	.			trans	-162	0	-177.4	56.8	-85.3	0	0	0	111.2	Y36 P38 A39 Y67 W69 L319 G326 L327 H329	Y36-F360 HydrophobicContact CD2-CB 4.13Å; Y36-F360 HydrophobicContact CD2-CD1 4.21Å; Y36-F360 HydrophobicContact CD2-CG 4.49Å; P38-F360 WeakPolarHBondContact CA-OXT 3.2Å; A39-F360 WeakPolarHBondContact CB-OXT 3.25Å; A39-F360 PolarHBondContact N-OXT 2.82Å; Y67-F360 AromaticContact CD1-CD2 3.33Å; Y67-F360 HydrophobicContact CD1-CD2 3.33Å; Y67-F360 AromaticContact CD1-CE2 3.54Å; Y67-F360 HydrophobicContact CD1-CE2 3.54Å; Y67-F360 HydrophobicContact CD1-CG 4.12Å; Y67-F360 HydrophobicContact CD1-CZ 4.48Å; Y67-F360 HydrophobicContact CD2-CD2 4.2Å; Y67-F360 HydrophobicContact CE1-CB 3.8Å; Y67-F360 HydrophobicContact CE1-CD1 4.46Å; Y67-F360 AromaticContact CE1-CD2 3.33Å; Y67-F360 HydrophobicContact CE1-CD2 3.33Å; Y67-F360 AromaticContact CE1-CE2 3.94Å; Y67-F360 HydrophobicContact CE1-CE2 3.94Å; Y67-F360 AromaticContact CE1-CG 3.64Å; Y67-F360 HydrophobicContact CE1-CG 3.64Å; Y67-F360 HydrophobicContact CE2-CB 4.3Å; Y67-F360 HydrophobicContact CE2-CD2 4.17Å; Y67-F360 AromaticContact CG-CD2 3.8Å; Y67-F360 HydrophobicContact CG-CD2 3.8Å; Y67-F360 HydrophobicContact CG-CE2 4.06Å; Y67-F360 AromaticContact CZ-CD2 3.76Å; Y67-F360 AromaticContact CZ-CG 3.95Å; Y67-F360 WeakPolarHBondContact OH-CB 3.47Å; W69-F360 HydrophobicContact CB-CE1 3.76Å; W69-F360 HydrophobicContact CB-CE2 3.79Å; W69-F360 HydrophobicContact CB-CZ 3.25Å; W69-F360 HydrophobicContact CG-CZ 4.33Å; L319-F360 HydrophobicContact CD1-CZ 4.48Å; L319-F360 HydrophobicContact CD2-CE1 4.22Å; L319-F360 HydrophobicContact CD2-CZ 3.85Å; G326-F360 CarbonylContact C-O 3.56Å; G326-F360 WeakPolarHBondContact CA-O 3.26Å; L327-F360 WeakPolarHBondContact CA-O 3.5Å; L327-F360 HydrophobicContact CB-CD1 4.39Å; L327-F360 HydrophobicContact CB-CD2 3.7Å; L327-F360 HydrophobicContact CB-CE1 4.2Å; L327-F360 HydrophobicContact CB-CE2 3.53Å; L327-F360 HydrophobicContact CB-CG 4.13Å; L327-F360 HydrophobicContact CB-CZ 3.77Å; L327-F360 HydrophobicContact CD1-CD2 3.71Å; L327-F360 HydrophobicContact CD1-CE2 3.27Å; L327-F360 HydrophobicContact CD1-CZ 4.13Å; L327-F360 HydrophobicContact CG-CD2 4.27Å; L327-F360 HydrophobicContact CG-CE2 4Å; L327-F360 PolarHBondContact N-O 2.91Å; L327-F360 PolarHBondContact O-N 2.97Å; H329-F360 HydrophobicContact CB-CE1 4.18Å

Retrieved 360 of 360 residues in 1006.1 ms (Link to these results)

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