A0A096N055_PAPAN Loading...

Thrombospondin-3

Adhesive glycoprotein that mediates cell-to-cell and cell-to-matrix interactions. Can bind to fibrinogen, fibronectin, laminin and type V collagen.

AlphaFold DB , UniProt , Accession A0A096N055, Species PAPAN (Papio anubis, Olive baboon), Gene THBS3, Length 956 aa.

						>A0A096N055_PAPAN|A0A096N055|THBS3
METQELRGALALLLLCSFASASQDLQVIDLLTVGESRQMVAVAEKIRTALLTAGDIYLLSTFRLPPKQGGVLFGLYSRQDNTRWLEASVVGKINKVLVRYQREDGKVHAVNLQQAGLADGRTHTVLLRLRGPSRPSPALHLYVDCKLGDQHAGLPALAPIPPAEVDGLEIRTGQKAYLRMQGFVESMKIILGGSMARVGALSECPFQGDESIHSAVTNALHSILGEQTKALVTQLTLFNQILVELRDDIRDQVKEMSLIRNTIMECQVCGFHEQRSHCSPNPCFRGVDCMEVYEYPGYRCGPCPPGLQGNGTHCSDINECVHADPCFPGSSCINTMPGFHCEACPRGYKGTQVSGVGIDYARASKQVCNDIDECNDGNNGGCDPNSICTNTVGSFKCGPCRLGFLGNQSQGCLPARTCHSPAHSPCHIHAHCLFERNGAVSCQCNVGWAGNGNVCGTDTDIDGYPDQALPCMDNNKHCKQDNCLLTPNSGQEDADNDGVGDQCDDDADGDGIKNVEDNCRLFPNKDQQNSDTDSFGDACDNCPNVPNNDQKDTDGNGEGDACDNDVDGDGIPNGLDNCPKVPNPLQTDRDEDGVGDACDSCPEMSNPTQTDVDSDLVGDVCDTNEDSDGDGHQDTKDNCPQLPNSSQLDSDNDGLGDECDGDDDNDGIPDYVPPGPDNCRLVPNPNQKDSDGNGVGDVCEDDFDNDAVVDPLDVCPESAEVTLTDFRAYQTVVLDPEGDAQIDPNWVVLNQGMEIVQTMNSDPGLAVGYTAFNGVDFEGTFHVNTVTDDDYAGFLFSYQDSGRFYVVMWKQTEQTYWQATPFRAVAQPGLQLKAVTSVSGPGEHLRNALWHTGHTPDQVRLLWTDPRNVGWRDKTSYRWQLLHRPQVGYIRVKLYEGPQLVADSGVIIDTSMRGGRLGVFCFSQENIIWSNLQYRCNDTVPEDFEPFRRQLLQGRV
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.1	Very low	41.1	Very low	236 Å²	236	151.4 Å²	151.4	100%	1.163	80%	0.803	S	S	*	*				0	113.4	0	-73.6	170.3	65.3	0	0	105.5
2	E	37.2	Very low	40.7	Very low	174 Å²	174	151.3 Å²	151.3	81%	0.813	80%	0.802	S	S	*	*			cis	-122.2	146.8	6.2	-71.8	140.1	134.1	0	0	107
3	T	34.3	Very low	40.5	Very low	144 Å²	144	149.9 Å²	149.9	88%	0.883	79%	0.794	S	S	*	*				-163.2	86.2	102.6	27.9	0	0	0	0	108.7
4	Q	46.4	Very low	40.3	Very low	193 Å²	193	147.3 Å²	147.3	90%	0.902	78%	0.78	S	S	*	*			trans	-93.9	105.5	154.2	-93.8	175.8	-37.5	0	0	106
5	E	43.1	Very low	39.9	Very low	184 Å²	184	146.7 Å²	146.7	86%	0.86	78%	0.776	S	S	*	*	S	Bend	trans	167.9	48.3	146.9	-92.9	-167.2	175.1	0	0	112.4
6	L	42.3	Very low	39.4	Very low	168 Å²	168	144.8 Å²	144.8	88%	0.88	78%	0.776	S	S	*	*	S	Bend	trans	-146.5	34.1	167.2	-116.9	118.9	0	0	0	113.4
7	R	40.1	Very low	39	Very low	243 Å²	243	141.5 Å²	141.5	92%	0.917	77%	0.768	S	S	*	*	S	Bend	trans	-110.6	12.4	171.4	-78	-171	173.7	-173.1	-1.8	114.2
8	G	41.3	Very low	38.7	Very low	66 Å²	66	144.1 Å²	144.1	68%	0.68	77%	0.771	S	S	*	*	S	Bend	trans	-99.6	-15.7	179.9	0	0	0	0	0	116.1
9	A	42.1	Very low	38.3	Very low	80 Å²	80	140.7 Å²	140.7	66%	0.661	77%	0.765	S	S	*	*	S	Bend	trans	-106.5	-7.3	-174.4	0	0	0	0	0	115
10	L	41.1	Very low	38.1	Very low	127 Å²	127	139.4 Å²	139.4	67%	0.665	77%	0.767	S	S	*	*	S	Bend	trans	-106	-12.6	174.9	-124.4	85.5	0	0	0	114
11	A	42.2	Very low	37.7	Very low	50 Å²	50	137.8 Å²	137.8	41%	0.413	77%	0.772	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.5	-19.8	178.8	0	0	0	0	0	113.3	L15	A11-L15 WeakPolarHBondContact O-CD1 3.26Å
12	L	36.3	Very low	37.4	Very low	150 Å²	150	129.8 Å²	129.8	79%	0.785	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-12	175	-122.9	81.5	0	0	0	113.9
13	L	37.5	Very low	38.1	Very low	134 Å²	134	127 Å²	127	70%	0.702	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-13.3	173.1	-98.1	150.3	0	0	0	113.2
14	L	37.6	Very low	39.2	Very low	113 Å²	113	126.1 Å²	126.1	59%	0.592	72%	0.716	S	S	*	*	S	Bend	trans	-102.3	-4.6	176.3	-94.4	142.2	0	0	0	113.9
15	L	34.8	Very low	40.3	Very low	138 Å²	138	118.9 Å²	118.9	72%	0.723	68%	0.683	S	S	*	*	S	Bend	trans	-113.2	8.9	178.7	-75.6	164.9	0	0	0	114.1	A11	A11-L15 WeakPolarHBondContact O-CD1 3.26Å
16	C	32.4	Very low	42.1	Very low	116 Å²	116	113.9 Å²	113.9	78%	0.784	66%	0.66	S	S	*	*	S	Bend	trans	-107.5	12.7	164.7	-93.7	0	0	0	0	113.5
17	S	31.5	Very low	44.1	Very low	90 Å²	90	108.7 Å²	108.7	63%	0.629	64%	0.635	S	S	*	*	S	Bend	trans	-107.9	10.3	176.9	-37.4	0	0	0	0	113.5
18	F	34.6	Very low	46.4	Very low	188 Å²	188	97.8 Å²	97.8	83%	0.825	60%	0.595	S	S	*	*			trans	-114.4	57.5	172.1	-74.2	-78.7	0	0	0	110
19	A	30	Very low	48.6	Very low	79 Å²	79	97.2 Å²	97.2	65%	0.653	58%	0.576	S	S	*	*	S	Bend	trans	-145.1	118.6	161.1	0	0	0	0	0	107.5
20	S	34.7	Very low	50.7	Low	115 Å²	115	93.9 Å²	93.9	80%	0.804	55%	0.547	S	S	*	.			trans	49.9	81	175.7	71.9	0	0	0	0	116.9	S22	S20-S22 PolarHBondContact O-N 2.58Å
21	A	29.9	Very low	52.7	Low	106 Å²	106	89.9 Å²	89.9	88%	0.876	53%	0.526	S	S	*	.			trans	-72.7	87.6	142.1	0	0	0	0	0	106.8	Q23	A21-Q23 PolarHBondContact O-N 2.95Å
22	S	37	Very low	54.5	Low	68 Å²	68	92.4 Å²	92.4	48%	0.476	54%	0.537	S	S	.	.			trans	-46.3	107.5	153.1	174.4	0	0	0	0	106.6	S20 D24	S20-S22 PolarHBondContact O-N 2.58Å; S22-D24 PolarHBondContact O-N 3.05Å; S22-D24 PolarHBondContact OG-OD1 2.96Å
23	Q	50.3	Low	56.2	Low	116 Å²	116	86.7 Å²	86.7	54%	0.542	51%	0.508	S	S	.	.			trans	-67	95.8	158.7	-86.3	-174.7	-14.6	0	0	104.8	A21 L25	A21-Q23 PolarHBondContact O-N 2.95Å; Q23-L25 PolarHBondContact O-N 2.86Å; Q23-L25 VanDerWaalsContact O-N 3.13Å
24	D	57.2	Low	57.1	Low	125 Å²	125	84 Å²	84	67%	0.668	51%	0.512	S	S	*	.			trans	-57.8	118.6	172.4	-75.6	-19	0	0	0	107.5	S22 Q26	S22-D24 PolarHBondContact O-N 3.05Å; S22-D24 PolarHBondContact OG-OD1 2.96Å; D24-Q26 PolarHBondContact O-N 3.36Å; D24-Q26 VanDerWaalsContact O-N 3.15Å
25	L	69.6	Low	58.4	Low	40 Å²	40	84.3 Å²	84.3	21%	0.209	51%	0.51	C	S	.	.			trans	-66.8	106.6	177.3	-177.4	99.2	0	0	0	107.5	Q23 V27 I190 R197 V198 L201	Q23-L25 PolarHBondContact O-N 2.86Å; Q23-L25 VanDerWaalsContact O-N 3.13Å; L25-V27 HydrophobicContact CD2-CG2 3.72Å; L25-V27 HydrophobicContact CG-CG2 4.12Å; L25-I190 HydrophobicContact CD1-CG2 3.74Å; L25-I190 HydrophobicContact CG-CG2 3.93Å; L25-R197 HydrophobicContact CD1-CB 4.09Å; L25-V198 HydrophobicContact CD1-CG2 4.02Å; L25-L201 HydrophobicContact CD2-CD1 3.97Å
26	Q	81.9	Confident	59.7	Low	80 Å²	80	82 Å²	82	37%	0.374	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	112	176.7	-172.1	170.8	32.1	0	0	109.6	D24 I28 I190 L191	D24-Q26 PolarHBondContact O-N 3.36Å; D24-Q26 VanDerWaalsContact O-N 3.15Å; Q26-I28 HydrophobicContact CG-CG1 4.37Å; Q26-I190 WeakPolarHBondContact O-CA 3.34Å; Q26-L191 HydrophobicContact CB-CB 4.39Å; Q26-L191 PolarHBondContact N-O 2.86Å; Q26-L191 PolarHBondContact O-N 3.33Å
27	V	84.8	Confident	61	Low	58 Å²	58	86.9 Å²	86.9	35%	0.352	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.6	178.2	-173.9	0	0	0	0	108.7	L25 K188 I190 L201	L25-V27 HydrophobicContact CD2-CG2 3.72Å; L25-V27 HydrophobicContact CG-CG2 4.12Å; V27-K188 HydrophobicContact CG1-CB 4.38Å; V27-K188 HydrophobicContact CG1-CD 4.11Å; V27-K188 HydrophobicContact CG1-CG 4.45Å; V27-I190 HydrophobicContact CG1-CG1 4.2Å; V27-I190 HydrophobicContact CG2-CG1 4.31Å; V27-I190 HydrophobicContact CG2-CG2 4.32Å; V27-L201 HydrophobicContact CG1-CD1 4.33Å; V27-L201 HydrophobicContact CG2-CD1 3.57Å
28	I	87.4	Confident	62.9	Low	15 Å²	15	86.9 Å²	86.9	8%	0.077	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	119	177.1	-55.9	172.8	0	0	0	107.7	Q26 L30 V42 K45 K188 I189 L191	Q26-I28 HydrophobicContact CG-CG1 4.37Å; I28-L30 HydrophobicContact CG2-CD2 4.15Å; I28-V42 HydrophobicContact CD1-CG1 4.33Å; I28-V42 HydrophobicContact CG2-CG1 3.91Å; I28-V42 HydrophobicContact CG2-CG2 4.02Å; I28-K45 HydrophobicContact CD1-CB 4.34Å; I28-K45 HydrophobicContact CD1-CD 4.15Å; I28-K188 CarbonylContact O-C 3.56Å; I28-K188 VanDerWaalsContact O-CA 3.29Å; I28-K188 WeakPolarHBondContact O-CA 3.33Å; I28-I189 HydrophobicContact CB-CG2 3.78Å; I28-I189 HydrophobicContact CD1-CG2 4.33Å; I28-I189 HydrophobicContact CG1-CG2 4.49Å; I28-I189 HydrophobicContact CG2-CG2 4.31Å; I28-I189 PolarHBondContact N-O 3.04Å; I28-I189 PolarHBondContact O-N 3.26Å; I28-L191 HydrophobicContact CD1-CD1 3.9Å
29	D	87.1	Confident	64.6	Low	53 Å²	53	80.4 Å²	80.4	28%	0.283	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	109.6	176	-168.3	-35.4	0	0	0	110.2	L31 T32 V33 K188	D29-L31 VanDerWaalsContact C-N 3.34Å; D29-L31 PolarHBondContact O-N 2.84Å; D29-L31 PolarHBondContact OD1-N 3.41Å; D29-L31 VanDerWaalsContact OD1-N 3.08Å; D29-T32 HydrophobicContact CB-CG2 4.38Å; D29-T32 PolarHBondContact O-N 2.61Å; D29-T32 PolarHBondContact O-OG1 3.04Å; D29-V33 WeakPolarHBondContact O-CG2 3.42Å; D29-K188 HydrophobicContact CB-CG 4.43Å
30	L	86.8	Confident	66.8	Low	11 Å²	11	78.8 Å²	78.8	6%	0.058	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-15.5	-171.8	-63.1	175.2	0	0	0	113.3	I28 T32 V42 F73 I170 T172 M187 I189	I28-L30 HydrophobicContact CG2-CD2 4.15Å; L30-T32 VanDerWaalsContact C-N 3.31Å; L30-V42 HydrophobicContact CD2-CG1 4.23Å; L30-F73 HydrophobicContact CD1-CD2 3.74Å; L30-F73 HydrophobicContact CD1-CE2 3.52Å; L30-I170 HydrophobicContact CD2-CG2 4.39Å; L30-T172 HydrophobicContact CB-CG2 4Å; L30-M187 HydrophobicContact CB-CB 4.48Å; L30-M187 HydrophobicContact CB-CG 4.13Å; L30-M187 HydrophobicContact CD1-CG 4.08Å; L30-M187 PolarHBondContact N-O 3.4Å; L30-I189 HydrophobicContact CD1-CB 4.14Å; L30-I189 HydrophobicContact CD1-CG2 4.15Å; L30-I189 HydrophobicContact CD2-CG2 3.96Å; L30-I189 HydrophobicContact CG-CG2 4.14Å
31	L	84.3	Confident	68.8	Low	42 Å²	42	75.8 Å²	75.8	22%	0.22	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-16.6	175.7	-56.7	-173.9	0	0	0	112.3	D29 T172 Q174 V184 M187	D29-L31 VanDerWaalsContact C-N 3.34Å; D29-L31 PolarHBondContact O-N 2.84Å; D29-L31 PolarHBondContact OD1-N 3.41Å; D29-L31 VanDerWaalsContact OD1-N 3.08Å; L31-T172 HydrophobicContact CD2-CG2 4.38Å; L31-Q174 HydrophobicContact CD2-CB 4.11Å; L31-Q174 HydrophobicContact CD2-CG 4.43Å; L31-V184 HydrophobicContact CD1-CG1 4.39Å; L31-V184 HydrophobicContact CD2-CG1 4.45Å; L31-M187 HydrophobicContact CD1-CB 4.37Å; L31-M187 HydrophobicContact CD2-CB 3.77Å; L31-M187 HydrophobicContact CG-CB 3.82Å
32	T	78.5	Confident	71.3	Confident	104 Å²	104	71.3 Å²	71.3	64%	0.638	40%	0.397	S	S	*	.	S	Bend	trans	-97.9	-5	-177.4	65.3	0	0	0	0	114.2	D29 L30 G34	D29-T32 HydrophobicContact CB-CG2 4.38Å; D29-T32 PolarHBondContact O-N 2.61Å; D29-T32 PolarHBondContact O-OG1 3.04Å; L30-T32 VanDerWaalsContact C-N 3.31Å; T32-G34 PolarHBondContact O-N 2.82Å
33	V	73	Confident	73.4	Confident	29 Å²	29	68.2 Å²	68.2	18%	0.176	38%	0.375	C	S	.	.			trans	-87.3	84.5	-177.4	-174.2	0	0	0	0	109.7	D29 Q38 M39 V42	D29-V33 WeakPolarHBondContact O-CG2 3.42Å; V33-Q38 HydrophobicContact CG1-CB 4.05Å; V33-M39 HydrophobicContact CG1-CB 4.26Å; V33-M39 HydrophobicContact CG1-CG 4.39Å; V33-V42 HydrophobicContact CG1-CG2 4.34Å; V33-V42 HydrophobicContact CG2-CG2 4.25Å
34	G	56.8	Low	74.9	Confident	77 Å²	77	65.9 Å²	65.9	79%	0.794	36%	0.364	S	S	*	.			trans	-95.8	-16.1	-176.3	0	0	0	0	0	116.3	T32	T32-G34 PolarHBondContact O-N 2.82Å
35	E	64.9	Low	76.2	Confident	120 Å²	120	64.3 Å²	64.3	56%	0.561	35%	0.351	S	S	*	.	S	Bend	trans	-101.3	135.3	-176	-68.8	-178.1	164.7	0	0	112.8	R37 Q38 M39	E35-R37 VanDerWaalsContact C-N 3.27Å; E35-R37 PolarHBondContact O-N 3.03Å; E35-R37 VanDerWaalsContact O-N 3.17Å; E35-Q38 HydrophobicContact CB-CB 4.35Å; E35-Q38 HydrophobicContact CB-CG 4.02Å; E35-Q38 WeakPolarHBondContact O-CB 3.33Å; E35-Q38 PolarHBondContact O-N 3.14Å; E35-Q38 PolarHBondContact OE2-NE2 3.5Å; E35-M39 PolarHBondContact O-N 2.83Å
36	S	60.4	Low	76.7	Confident	89 Å²	89	62.5 Å²	62.5	62%	0.622	34%	0.342	S	S	*	.	H	α-helix	trans	-55.3	-35.7	-179.2	55.6	0	0	0	0	114.2	M39 V40	S36-M39 PolarHBondContact O-N 2.95Å; S36-V40 PolarHBondContact O-N 2.85Å
37	R	60.6	Low	76.8	Confident	220 Å²	220	60.3 Å²	60.3	83%	0.83	33%	0.33	S	S	*	.	H	α-helix	trans	-70.2	-33.5	175.2	-77.3	-176.5	174.9	178.7	-0.2	113.5	E35 M39 A41	E35-R37 VanDerWaalsContact C-N 3.27Å; E35-R37 PolarHBondContact O-N 3.03Å; E35-R37 VanDerWaalsContact O-N 3.17Å; R37-M39 VanDerWaalsContact C-N 3.35Å; R37-A41 PolarHBondContact O-N 2.86Å
38	Q	70.5	Confident	76.5	Confident	90 Å²	90	60.2 Å²	60.2	42%	0.421	33%	0.33	S	S	.	.	H	α-helix	trans	-72.9	-33.9	176.4	-63.8	-179.3	13.5	0	0	110.6	V33 E35 A41 V42	V33-Q38 HydrophobicContact CG1-CB 4.05Å; E35-Q38 HydrophobicContact CB-CB 4.35Å; E35-Q38 HydrophobicContact CB-CG 4.02Å; E35-Q38 WeakPolarHBondContact O-CB 3.33Å; E35-Q38 PolarHBondContact O-N 3.14Å; E35-Q38 PolarHBondContact OE2-NE2 3.5Å; Q38-A41 PolarHBondContact O-N 2.97Å; Q38-V42 VanDerWaalsContact O-CG2 3.31Å; Q38-V42 WeakPolarHBondContact O-CG2 3.32Å; Q38-V42 PolarHBondContact O-N 3.28Å
39	M	71.4	Confident	75.9	Confident	51 Å²	51	59.8 Å²	59.8	25%	0.251	33%	0.329	S	S	.	.	H	α-helix	trans	-65.7	-41.4	179.2	-149.1	165.8	70.1	0	0	112.7	V33 E35 S36 R37 V42 A43 E169 I170	V33-M39 HydrophobicContact CG1-CB 4.26Å; V33-M39 HydrophobicContact CG1-CG 4.39Å; E35-M39 PolarHBondContact O-N 2.83Å; S36-M39 PolarHBondContact O-N 2.95Å; R37-M39 VanDerWaalsContact C-N 3.35Å; M39-V42 PolarHBondContact O-N 3.39Å; M39-A43 WeakPolarHBondContact O-CB 3.48Å; M39-A43 PolarHBondContact O-N 3.29Å; M39-E169 HydrophobicContact CE-CG 4.14Å; M39-I170 HydrophobicContact CG-CB 4.5Å; M39-I170 HydrophobicContact CG-CD1 4.44Å
40	V	75.1	Confident	75.4	Confident	45 Å²	45	58 Å²	58	27%	0.273	32%	0.319	S	S	.	.	H	α-helix	trans	-63.9	-41.2	173.3	176.9	0	0	0	0	111.4	S36 V42 A43 E44 D166	S36-V40 PolarHBondContact O-N 2.85Å; V40-V42 VanDerWaalsContact C-N 3.32Å; V40-V42 PolarHBondContact O-N 3.4Å; V40-A43 PolarHBondContact O-N 2.72Å; V40-E44 PolarHBondContact O-N 2.99Å; V40-D166 WeakPolarHBondContact CG1-OD1 3.25Å
41	A	78.5	Confident	74.6	Confident	52 Å²	52	60.9 Å²	60.9	43%	0.43	33%	0.334	S	S	.	.	H	α-helix	trans	-66.4	-33.1	176.6	0	0	0	0	0	112.8	R37 Q38 K45	R37-A41 PolarHBondContact O-N 2.86Å; Q38-A41 PolarHBondContact O-N 2.97Å; A41-K45 WeakPolarHBondContact O-CG 3.35Å; A41-K45 PolarHBondContact O-N 3.11Å
42	V	81.9	Confident	73.7	Confident	13 Å²	13	64 Å²	64	8%	0.079	36%	0.355	C	S	.	.	H	α-helix	trans	-72.3	-43.4	173.2	171.3	0	0	0	0	110.8	I28 L30 V33 Q38 M39 V40 E44 K45 I46 I170	I28-V42 HydrophobicContact CD1-CG1 4.33Å; I28-V42 HydrophobicContact CG2-CG1 3.91Å; I28-V42 HydrophobicContact CG2-CG2 4.02Å; L30-V42 HydrophobicContact CD2-CG1 4.23Å; V33-V42 HydrophobicContact CG1-CG2 4.34Å; V33-V42 HydrophobicContact CG2-CG2 4.25Å; Q38-V42 VanDerWaalsContact O-CG2 3.31Å; Q38-V42 WeakPolarHBondContact O-CG2 3.32Å; Q38-V42 PolarHBondContact O-N 3.28Å; M39-V42 PolarHBondContact O-N 3.39Å; V40-V42 VanDerWaalsContact C-N 3.32Å; V40-V42 PolarHBondContact O-N 3.4Å; V42-E44 VanDerWaalsContact C-N 3.3Å; V42-E44 PolarHBondContact O-N 2.79Å; V42-K45 WeakPolarHBondContact O-CB 3.43Å; V42-K45 PolarHBondContact O-N 3.44Å; V42-K45 VanDerWaalsContact O-N 3.14Å; V42-I46 HydrophobicContact CG1-CD1 3.93Å; V42-I46 HydrophobicContact CG1-CG1 4.4Å; V42-I46 WeakPolarHBondContact O-CG1 3.36Å; V42-I46 PolarHBondContact O-N 2.72Å; V42-I170 HydrophobicContact CB-CD1 4.31Å; V42-I170 HydrophobicContact CG1-CD1 3.66Å
43	A	81.2	Confident	72.9	Confident	2 Å²	2	60 Å²	60	2%	0.017	33%	0.332	C	S	.	.	H	α-helix	trans	-59	-41	175.7	0	0	0	0	0	111.9	M39 V40 K45 I46 R47 V165 L168	M39-A43 WeakPolarHBondContact O-CB 3.48Å; M39-A43 PolarHBondContact O-N 3.29Å; V40-A43 PolarHBondContact O-N 2.72Å; A43-K45 VanDerWaalsContact C-N 3.35Å; A43-K45 PolarHBondContact O-N 3.18Å; A43-I46 PolarHBondContact O-N 3.2Å; A43-R47 WeakPolarHBondContact O-CB 3.34Å; A43-R47 PolarHBondContact O-N 2.97Å; A43-V165 HydrophobicContact CB-CG1 4.24Å; A43-L168 HydrophobicContact CB-CB 4.09Å; A43-L168 HydrophobicContact CB-CD1 4.23Å
44	E	81.8	Confident	72.8	Confident	68 Å²	68	59.7 Å²	59.7	32%	0.318	34%	0.335	S	S	.	.	H	α-helix	trans	-66.2	-35.7	176.5	-175.6	57.8	-172	0	0	112.5	V40 V42 R47 T48 V165	V40-E44 PolarHBondContact O-N 2.99Å; V42-E44 VanDerWaalsContact C-N 3.3Å; V42-E44 PolarHBondContact O-N 2.79Å; E44-R47 IonicContact OE1-CZ 3.43Å; E44-R47 IonicContact OE1-NE 3.29Å; E44-R47 PolarHBondContact OE1-NE 3.08Å; E44-R47 IonicContact OE1-NH2 3.04Å; E44-R47 PolarHBondContact OE1-NH2 3.06Å; E44-R47 IonicContact OE2-CZ 2.83Å; E44-R47 IonicContact OE2-NE 2.71Å; E44-R47 PolarHBondContact OE2-NE 2.84Å; E44-R47 IonicContact OE2-NH2 3.65Å; E44-T48 WeakPolarHBondContact O-CB 3.34Å; E44-T48 PolarHBondContact O-N 3.27Å; E44-T48 PolarHBondContact O-OG1 2.7Å; E44-V165 HydrophobicContact CB-CG1 3.95Å; E44-V165 WeakPolarHBondContact OE2-CG1 3.32Å; E44-V165 WeakPolarHBondContact OE2-CG2 3.38Å
45	K	83	Confident	74	Confident	91 Å²	91	57.2 Å²	57.2	40%	0.396	30%	0.304	S	S	.	.	H	α-helix	trans	-66.5	-42.9	173	-73.6	172.6	-178.9	-179.2	0	112	I28 A41 V42 A43 T48 A49 L191	I28-K45 HydrophobicContact CD1-CB 4.34Å; I28-K45 HydrophobicContact CD1-CD 4.15Å; A41-K45 WeakPolarHBondContact O-CG 3.35Å; A41-K45 PolarHBondContact O-N 3.11Å; V42-K45 WeakPolarHBondContact O-CB 3.43Å; V42-K45 PolarHBondContact O-N 3.44Å; V42-K45 VanDerWaalsContact O-N 3.14Å; A43-K45 VanDerWaalsContact C-N 3.35Å; A43-K45 PolarHBondContact O-N 3.18Å; K45-T48 PolarHBondContact O-N 3.2Å; K45-A49 WeakPolarHBondContact O-CB 3.48Å; K45-A49 PolarHBondContact O-N 2.97Å; K45-L191 HydrophobicContact CB-CD1 4.17Å
46	I	81.3	Confident	75.1	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.015	28%	0.278	C	S	.	.	H	α-helix	trans	-62.7	-47.5	176.5	-65.8	173.1	0	0	0	109.7	V42 A43 T48 A49 L50 L75 I170 I189	V42-I46 HydrophobicContact CG1-CD1 3.93Å; V42-I46 HydrophobicContact CG1-CG1 4.4Å; V42-I46 WeakPolarHBondContact O-CG1 3.36Å; V42-I46 PolarHBondContact O-N 2.72Å; A43-I46 PolarHBondContact O-N 3.2Å; I46-T48 PolarHBondContact O-N 2.99Å; I46-A49 PolarHBondContact O-N 3.13Å; I46-L50 HydrophobicContact CG2-CD1 3.99Å; I46-L50 HydrophobicContact CG2-CG 4.36Å; I46-L50 VanDerWaalsContact O-CG 3.29Å; I46-L50 WeakPolarHBondContact O-CG 3.28Å; I46-L50 PolarHBondContact O-N 2.59Å; I46-L75 HydrophobicContact CG2-CD2 4.38Å; I46-I170 HydrophobicContact CD1-CD1 3.87Å; I46-I189 HydrophobicContact CD1-CD1 3.99Å; I46-I189 HydrophobicContact CD1-CG2 4.37Å; I46-I189 HydrophobicContact CG1-CD1 4.06Å; I46-I189 HydrophobicContact CG2-CD1 4.44Å
47	R	83	Confident	76.5	Confident	34 Å²	34	47.6 Å²	47.6	13%	0.128	25%	0.249	C	C	.	.	H	α-helix	trans	-55.9	-49.2	174.4	-178.3	-173.7	83.3	75	8	111.9	A43 E44 A49 L50 L51 I160	A43-R47 WeakPolarHBondContact O-CB 3.34Å; A43-R47 PolarHBondContact O-N 2.97Å; E44-R47 IonicContact OE1-CZ 3.43Å; E44-R47 IonicContact OE1-NE 3.29Å; E44-R47 PolarHBondContact OE1-NE 3.08Å; E44-R47 IonicContact OE1-NH2 3.04Å; E44-R47 PolarHBondContact OE1-NH2 3.06Å; E44-R47 IonicContact OE2-CZ 2.83Å; E44-R47 IonicContact OE2-NE 2.71Å; E44-R47 PolarHBondContact OE2-NE 2.84Å; E44-R47 IonicContact OE2-NH2 3.65Å; R47-A49 VanDerWaalsContact C-N 3.27Å; R47-A49 PolarHBondContact O-N 3.28Å; R47-L50 PolarHBondContact O-N 2.66Å; R47-L51 HydrophobicContact CG-CD1 4.32Å; R47-L51 WeakPolarHBondContact O-CG 3.09Å; R47-L51 PolarHBondContact O-N 3.3Å; R47-I160 WeakPolarHBondContact CD-O 3.25Å; R47-I160 HydrophobicContact CG-CB 4.05Å; R47-I160 HydrophobicContact CG-CG2 4.49Å
48	T	78.3	Confident	77.9	Confident	56 Å²	56	37.7 Å²	37.7	34%	0.344	21%	0.212	S	C	.	.	H	α-helix	trans	-60.9	-40.4	-179.9	-55.8	0	0	0	0	110.8	E44 K45 I46 L51 T52	E44-T48 WeakPolarHBondContact O-CB 3.34Å; E44-T48 PolarHBondContact O-N 3.27Å; E44-T48 PolarHBondContact O-OG1 2.7Å; K45-T48 PolarHBondContact O-N 3.2Å; I46-T48 PolarHBondContact O-N 2.99Å; T48-L51 PolarHBondContact O-N 3.05Å; T48-T52 HydrophobicContact CG2-CG2 4.39Å; T48-T52 WeakPolarHBondContact O-CB 3.43Å; T48-T52 WeakPolarHBondContact O-CG2 3.15Å; T48-T52 PolarHBondContact O-N 3.38Å; T48-T52 PolarHBondContact O-OG1 3.2Å
49	A	75.9	Confident	78.9	Confident	6 Å²	6	33.5 Å²	33.5	5%	0.05	19%	0.193	C	C	.	.	H	α-helix	trans	-68.6	-37.7	176.7	0	0	0	0	0	113.2	K45 I46 R47 L51 T52 A53 I56 L191	K45-A49 WeakPolarHBondContact O-CB 3.48Å; K45-A49 PolarHBondContact O-N 2.97Å; I46-A49 PolarHBondContact O-N 3.13Å; R47-A49 VanDerWaalsContact C-N 3.27Å; R47-A49 PolarHBondContact O-N 3.28Å; A49-L51 PolarHBondContact O-N 3.21Å; A49-T52 PolarHBondContact O-N 2.74Å; A49-A53 HydrophobicContact CB-CB 3.86Å; A49-A53 WeakPolarHBondContact O-CA 3.44Å; A49-A53 WeakPolarHBondContact O-CB 3.42Å; A49-A53 PolarHBondContact O-N 3.5Å; A49-I56 HydrophobicContact CB-CD1 4.23Å; A49-L191 HydrophobicContact CB-CB 4.07Å; A49-L191 HydrophobicContact CB-CD1 3.89Å; A49-L191 HydrophobicContact CB-CD2 3.67Å; A49-L191 HydrophobicContact CB-CG 4.06Å
50	L	75.7	Confident	79.9	Confident	16 Å²	16	31.1 Å²	31.1	8%	0.084	18%	0.181	C	C	.	.	H	α-helix	trans	-61.4	-28.3	174.2	-69.3	169.5	0	0	0	112.2	I46 R47 I56 P132 L157 I160	I46-L50 HydrophobicContact CG2-CD1 3.99Å; I46-L50 HydrophobicContact CG2-CG 4.36Å; I46-L50 VanDerWaalsContact O-CG 3.29Å; I46-L50 WeakPolarHBondContact O-CG 3.28Å; I46-L50 PolarHBondContact O-N 2.59Å; R47-L50 PolarHBondContact O-N 2.66Å; L50-I56 HydrophobicContact CD2-CD1 3.38Å; L50-I56 HydrophobicContact CG-CD1 3.95Å; L50-P132 HydrophobicContact CD2-CB 4.11Å; L50-P132 HydrophobicContact CD2-CG 4.14Å; L50-L157 HydrophobicContact CD1-CD2 4.08Å; L50-L157 HydrophobicContact CD2-CD2 3.54Å; L50-L157 HydrophobicContact CG-CD2 4.27Å; L50-I160 HydrophobicContact CD1-CD1 4.05Å
51	L	70.9	Confident	80.6	Confident	71 Å²	71	29.9 Å²	29.9	37%	0.372	17%	0.174	S	C	.	.	H	α-helix	trans	-89.1	-33	177.4	-67.2	170.6	0	0	0	114.1	R47 T48 A49 P159	R47-L51 HydrophobicContact CG-CD1 4.32Å; R47-L51 WeakPolarHBondContact O-CG 3.09Å; R47-L51 PolarHBondContact O-N 3.3Å; T48-L51 PolarHBondContact O-N 3.05Å; A49-L51 PolarHBondContact O-N 3.21Å; L51-P159 HydrophobicContact CD2-CB 3.67Å
52	T	65.3	Low	81.3	Confident	108 Å²	108	27.4 Å²	27.4	66%	0.663	15%	0.153	S	C	*	.	H	α-helix	trans	-123.9	-23.8	-165.3	65.1	0	0	0	0	115.4	T48 A49	T48-T52 HydrophobicContact CG2-CG2 4.39Å; T48-T52 WeakPolarHBondContact O-CB 3.43Å; T48-T52 WeakPolarHBondContact O-CG2 3.15Å; T48-T52 PolarHBondContact O-N 3.38Å; T48-T52 PolarHBondContact O-OG1 3.2Å; A49-T52 PolarHBondContact O-N 2.74Å
53	A	61.3	Low	81.8	Confident	18 Å²	18	32 Å²	32	15%	0.149	17%	0.169	C	C	.	.			trans	-82.7	152.9	-178	0	0	0	0	0	111.2	A49	A49-A53 HydrophobicContact CB-CB 3.86Å; A49-A53 WeakPolarHBondContact O-CA 3.44Å; A49-A53 WeakPolarHBondContact O-CB 3.42Å; A49-A53 PolarHBondContact O-N 3.5Å
54	G	70.5	Confident	82.2	Confident	23 Å²	23	32 Å²	32	24%	0.237	17%	0.168	C	C	.	.	S	Bend	trans	-68.4	-89.6	172.6	0	0	0	0	0	111	G131 P132	G54-G131 WeakPolarHBondContact O-CA 3.32Å; G54-G131 PolarHBondContact O-N 2.97Å; G54-G131 VanDerWaalsContact O-N 3.08Å; G54-P132 VanDerWaalsContact O-CD 3.26Å; G54-P132 WeakPolarHBondContact O-CD 3.33Å
55	D	82.4	Confident	82.3	Confident	26 Å²	26	29.8 Å²	29.8	14%	0.139	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	141	-178.8	-63.9	0.3	0	0	0	110.2	Y57 R128 L129 R130 G192	D55-Y57 HydrophobicContact CB-CE2 3.76Å; D55-R128 IonicContact OD2-CZ 4Å; D55-R128 IonicContact OD2-NE 3.1Å; D55-R128 PolarHBondContact OD2-NE 3.19Å; D55-R128 IonicContact OD2-NH2 3Å; D55-R128 PolarHBondContact OD2-NH2 3.16Å; D55-L129 WeakPolarHBondContact CA-O 3.42Å; D55-R130 WeakPolarHBondContact OD1-CA 3.39Å; D55-R130 WeakPolarHBondContact OD1-CG 2.98Å; D55-G192 PolarHBondContact O-N 2.86Å
56	I	88	Confident	82.4	Confident	5 Å²	5	29.4 Å²	29.4	3%	0.026	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	138.4	173.6	-61.9	176.3	0	0	0	108	A49 L50 L129 P132 I189 L191	A49-I56 HydrophobicContact CB-CD1 4.23Å; L50-I56 HydrophobicContact CD2-CD1 3.38Å; L50-I56 HydrophobicContact CG-CD1 3.95Å; I56-L129 HydrophobicContact CB-CB 4.46Å; I56-L129 PolarHBondContact N-O 3.26Å; I56-L129 PolarHBondContact O-N 2.68Å; I56-P132 HydrophobicContact CD1-CG 3.99Å; I56-I189 HydrophobicContact CG2-CD1 4.21Å; I56-I189 HydrophobicContact CG2-CG1 4.16Å; I56-L191 HydrophobicContact CG2-CD2 4.18Å
57	Y	89.1	Confident	82.4	Confident	1 Å²	1	35.8 Å²	35.8	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	132.7	-177.6	-54.1	-95.4	0	0	0	110.7	D55 L126 L127 R128 I189 I190 M195 V198	D55-Y57 HydrophobicContact CB-CE2 3.76Å; Y57-L126 HydrophobicContact CD1-CD1 4.21Å; Y57-L127 WeakPolarHBondContact CA-O 3.37Å; Y57-R128 HydrophobicContact CD1-CB 3.87Å; Y57-R128 HydrophobicContact CD1-CG 3.87Å; Y57-R128 HydrophobicContact CE1-CB 3.93Å; Y57-R128 HydrophobicContact CE1-CG 3.46Å; Y57-R128 VanDerWaalsContact CE1-CG 3.46Å; Y57-I189 WeakPolarHBondContact O-CA 3.44Å; Y57-I190 PolarHBondContact N-O 3.08Å; Y57-I190 PolarHBondContact O-N 2.93Å; Y57-M195 HydrophobicContact CD1-SD 4.33Å; Y57-M195 HydrophobicContact CE1-SD 3.69Å; Y57-V198 HydrophobicContact CD1-CG1 4.12Å; Y57-V198 HydrophobicContact CD1-CG2 4.28Å; Y57-V198 HydrophobicContact CD2-CG2 3.75Å; Y57-V198 HydrophobicContact CE1-CG2 4.37Å; Y57-V198 HydrophobicContact CE2-CG2 3.88Å; Y57-V198 HydrophobicContact CG-CG1 4.11Å; Y57-V198 HydrophobicContact CG-CG2 3.97Å
58	L	91.1	Very high	82.5	Confident	12 Å²	12	38 Å²	38	6%	0.063	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	112.6	169.7	-171.1	70.5	0	0	0	107.7	F73 A87 L126 L127 M187 I189	L58-F73 HydrophobicContact CD1-CB 4.26Å; L58-F73 HydrophobicContact CD1-CD1 4.3Å; L58-F73 HydrophobicContact CD1-CD2 4.05Å; L58-F73 HydrophobicContact CD1-CG 3.93Å; L58-F73 HydrophobicContact CD2-CB 3.69Å; L58-F73 HydrophobicContact CD2-CD1 4.18Å; L58-F73 HydrophobicContact CD2-CG 4.04Å; L58-A87 HydrophobicContact CD2-CB 3.94Å; L58-L126 CarbonylContact O-C 3.44Å; L58-L126 WeakPolarHBondContact O-CA 3.28Å; L58-L127 HydrophobicContact CB-CB 4.07Å; L58-L127 PolarHBondContact N-O 3.02Å; L58-L127 PolarHBondContact O-N 3.33Å; L58-M187 HydrophobicContact CD1-CE 3.48Å; L58-M187 VanDerWaalsContact CD1-CE 3.48Å; L58-M187 HydrophobicContact CD1-SD 4.13Å; L58-M187 HydrophobicContact CD2-CE 3.94Å; L58-M187 HydrophobicContact CG-CE 3.77Å; L58-M187 HydrophobicContact CG-SD 4.39Å; L58-I189 HydrophobicContact CD1-CB 4.47Å
59	L	90.8	Very high	82.9	Confident	3 Å²	3	36.8 Å²	36.8	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	123	-178.8	176.3	65.3	0	0	0	108.9	T124 V125 L126 K188 I190 L201	L59-T124 HydrophobicContact CD1-CG2 3.79Å; L59-V125 WeakPolarHBondContact CA-O 3.33Å; L59-L126 HydrophobicContact CB-CD1 3.94Å; L59-L126 HydrophobicContact CD1-CB 4.11Å; L59-L126 HydrophobicContact CD1-CD1 4.16Å; L59-K188 PolarHBondContact N-O 2.94Å; L59-K188 PolarHBondContact O-N 2.8Å; L59-I190 HydrophobicContact CB-CD1 4.29Å; L59-I190 HydrophobicContact CD2-CD1 4.36Å; L59-L201 HydrophobicContact CD2-CB 4.39Å
60	S	92.1	Very high	83.5	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.007	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	142.3	175.9	-164	0	0	0	0	111.6	T124 V125 S186 M187	S60-T124 WeakPolarHBondContact O-CA 3.22Å; S60-V125 PolarHBondContact N-O 3.11Å; S60-V125 PolarHBondContact O-N 2.89Å; S60-S186 WeakPolarHBondContact CA-O 3.45Å; S60-S186 PolarHBondContact OG-O 2.95Å; S60-M187 WeakPolarHBondContact CB-SD 3.4Å
61	T	91.7	Very high	84.3	Confident	18 Å²	18	38.9 Å²	38.9	11%	0.11	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.3	165.2	-55	0	0	0	0	107.5	T122 H123 T124 E185 S186	T61-T122 HydrophobicContact CG2-CG2 3.45Å; T61-T122 VanDerWaalsContact CG2-CG2 3.45Å; T61-H123 WeakPolarHBondContact CA-O 3.44Å; T61-T124 PolarHBondContact OG1-OG1 3.31Å; T61-E185 HydrophobicContact CG2-CB 4.33Å; T61-E185 VanDerWaalsContact CG2-OE2 3.26Å; T61-E185 WeakPolarHBondContact CG2-OE2 3.19Å; T61-E185 WeakPolarHBondContact O-CB 3.43Å; T61-E185 PolarHBondContact O-N 2.88Å; T61-S186 PolarHBondContact N-O 3.16Å; T61-S186 PolarHBondContact O-N 3.18Å
62	F	92.8	Very high	85.2	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	158.4	-176.9	65.5	-93.4	0	0	0	111.1	L64 L72 V89 L117 H123 V125 Y177 F183 V184	F62-L64 HydrophobicContact CD2-CD1 4.11Å; F62-L64 HydrophobicContact CD2-CG 3.94Å; F62-L64 HydrophobicContact CE2-CD1 3.72Å; F62-L64 HydrophobicContact CE2-CG 4.04Å; F62-L72 HydrophobicContact CB-CD1 4.37Å; F62-L72 HydrophobicContact CD1-CD1 3.52Å; F62-L72 HydrophobicContact CD1-CD2 3.9Å; F62-L72 HydrophobicContact CD1-CG 4.37Å; F62-L72 HydrophobicContact CE1-CD1 3.93Å; F62-L72 HydrophobicContact CE1-CD2 3.52Å; F62-L72 HydrophobicContact CE1-CG 4.37Å; F62-L72 HydrophobicContact CG-CD1 3.94Å; F62-L72 HydrophobicContact CZ-CD2 4.34Å; F62-V89 HydrophobicContact CE1-CG2 4.5Å; F62-V89 HydrophobicContact CE2-CG2 4.15Å; F62-V89 HydrophobicContact CZ-CG2 3.7Å; F62-L117 HydrophobicContact CZ-CD2 4.41Å; F62-H123 PolarHBondContact N-O 3.35Å; F62-H123 PolarHBondContact O-N 3.05Å; F62-V125 HydrophobicContact CE1-CB 3.92Å; F62-V125 HydrophobicContact CE1-CG2 3.52Å; F62-V125 HydrophobicContact CZ-CG2 3.76Å; F62-Y177 HydrophobicContact CB-CD2 4.28Å; F62-Y177 HydrophobicContact CB-CE2 4.23Å; F62-Y177 HydrophobicContact CD2-CD2 4.27Å; F62-Y177 AromaticContact CD2-CE2 3.64Å; F62-Y177 HydrophobicContact CD2-CE2 3.64Å; F62-Y177 HydrophobicContact CE2-CE2 4.21Å; F62-Y177 AromaticContact CG-CE2 3.98Å; F62-Y177 HydrophobicContact CG-CE2 3.98Å; F62-F183 CarbonylContact C-O 3.55Å; F62-F183 VanDerWaalsContact CA-O 3.22Å; F62-F183 WeakPolarHBondContact CA-O 3.23Å; F62-F183 WeakPolarHBondContact CB-O 3.43Å; F62-V184 HydrophobicContact CB-CB 4.4Å; F62-V184 HydrophobicContact CB-CG1 4.45Å; F62-V184 HydrophobicContact CB-CG2 4.1Å
63	R	92.4	Very high	86.5	Confident	111 Å²	111	31 Å²	31	42%	0.419	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126.2	172	-178.5	-175.8	-174.8	-162.3	-4.1	108.1	G120 R121 G182 F183	R63-G120 PolarHBondContact NE-O 2.98Å; R63-G120 PolarHBondContact NH2-O 3.09Å; R63-G120 VanDerWaalsContact NH2-O 3.15Å; R63-R121 WeakPolarHBondContact CG-O 3.06Å; R63-G182 CarbonylContact O-C 3.56Å; R63-G182 WeakPolarHBondContact O-CA 3.29Å; R63-F183 HydrophobicContact CB-CD1 4.01Å; R63-F183 HydrophobicContact CB-CE1 3.68Å; R63-F183 HydrophobicContact CB-CE2 4.29Å; R63-F183 HydrophobicContact CB-CG 4.46Å; R63-F183 HydrophobicContact CB-CZ 3.82Å; R63-F183 VanDerWaalsContact CD-CE1 3.43Å; R63-F183 HydrophobicContact CG-CE1 4.18Å; R63-F183 PolarHBondContact N-O 2.84Å; R63-F183 PolarHBondContact O-N 2.88Å
64	L	88.1	Confident	88	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.169	C	C	.	.			trans	-114.9	141.7	171	-80.7	171.7	0	0	0	109.2	F62 V89 A118 G120 Y177 M180	F62-L64 HydrophobicContact CD2-CD1 4.11Å; F62-L64 HydrophobicContact CD2-CG 3.94Å; F62-L64 HydrophobicContact CE2-CD1 3.72Å; F62-L64 HydrophobicContact CE2-CG 4.04Å; L64-V89 HydrophobicContact CD1-CB 3.91Å; L64-V89 HydrophobicContact CD1-CG1 3.81Å; L64-V89 HydrophobicContact CD1-CG2 4.42Å; L64-A118 HydrophobicContact CB-CB 3.94Å; L64-A118 HydrophobicContact CD1-CB 4.37Å; L64-G120 WeakPolarHBondContact O-CA 3.34Å; L64-G120 PolarHBondContact O-N 3.39Å; L64-Y177 HydrophobicContact CD1-CD2 4.48Å; L64-Y177 HydrophobicContact CD1-CE2 3.68Å; L64-Y177 HydrophobicContact CD2-CD1 3.99Å; L64-Y177 HydrophobicContact CD2-CD2 3.39Å; L64-Y177 HydrophobicContact CD2-CE1 4Å; L64-Y177 HydrophobicContact CD2-CE2 3.4Å; L64-Y177 VanDerWaalsContact CD2-CE2 3.4Å; L64-Y177 HydrophobicContact CD2-CG 3.7Å; L64-Y177 HydrophobicContact CG-CD2 3.78Å; L64-Y177 HydrophobicContact CG-CE2 3.45Å; L64-Y177 VanDerWaalsContact CG-CE2 3.45Å; L64-M180 HydrophobicContact CD2-CE 4.21Å
65	P	84.4	Confident	88.9	Confident	22 Å²	22	29 Å²	29	14%	0.143	16%	0.158	C	C	.	.			trans	-60.7	159.7	169.3	-11.5	21.3	0	0	0	111.9	K67 Q68 M180	P65-K67 PolarHBondContact O-N 2.92Å; P65-Q68 HydrophobicContact CB-CB 4.47Å; P65-Q68 HydrophobicContact CB-CG 4.29Å; P65-Q68 HydrophobicContact CG-CB 4.45Å; P65-Q68 HydrophobicContact CG-CG 4.47Å; P65-Q68 PolarHBondContact O-N 3.28Å; P65-M180 WeakPolarHBondContact CG-O 3.19Å
66	P	86.1	Confident	89.2	Confident	84 Å²	84	28.4 Å²	28.4	55%	0.545	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.3	134	176	-29.3	37	0	0	0	113.3	Q68 A118	P66-Q68 PolarHBondContact O-N 3.12Å; P66-A118 CarbonylContact C-O 3.51Å; P66-A118 WeakPolarHBondContact CA-O 3.32Å
67	K	80.8	Confident	89	Confident	137 Å²	137	28.7 Å²	28.7	60%	0.596	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	-2.7	175.2	-54.9	176.1	-176.6	171.2	0	115.6	P65 G91 K92 A118 D701	P65-K67 PolarHBondContact O-N 2.92Å; K67-G91 CarbonylContact O-C 3.5Å; K67-K92 WeakPolarHBondContact O-CG 3.32Å; K67-K92 PolarHBondContact O-N 2.93Å; K67-A118 PolarHBondContact N-O 3.32Å; K67-D701 IonicContact NZ-OD2 3.24Å; K67-D701 PolarHBondContact NZ-OD2 3.25Å
68	Q	86.2	Confident	88.6	Confident	80 Å²	80	38.2 Å²	38.2	37%	0.374	19%	0.192	S	C	.	.			trans	-87.2	152.7	178	-64.7	-161.7	15.8	0	0	113.2	P65 P66 G91 A118	P65-Q68 HydrophobicContact CB-CB 4.47Å; P65-Q68 HydrophobicContact CB-CG 4.29Å; P65-Q68 HydrophobicContact CG-CB 4.45Å; P65-Q68 HydrophobicContact CG-CG 4.47Å; P65-Q68 PolarHBondContact O-N 3.28Å; P66-Q68 PolarHBondContact O-N 3.12Å; Q68-G91 VanDerWaalsContact O-CA 3.28Å; Q68-G91 WeakPolarHBondContact O-CA 3.45Å; Q68-A118 WeakPolarHBondContact O-CB 3.31Å
69	G	86.3	Confident	88	Confident	31 Å²	31	46.1 Å²	46.1	32%	0.32	23%	0.228	S	C	.	.			trans	-152	162.8	-175.3	0	0	0	0	0	112.6	V89	G69-V89 CarbonylContact C-O 3.33Å; G69-V89 VanDerWaalsContact C-O 3.3Å; G69-V89 WeakPolarHBondContact CA-O 3.44Å
70	G	88.1	Confident	87.5	Confident	20 Å²	20	50.7 Å²	50.7	21%	0.206	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	173.9	179.2	0	0	0	0	0	112.6	L72 S88 V89 Y177	G70-L72 PolarHBondContact O-N 3.41Å; G70-S88 WeakPolarHBondContact O-CA 3.14Å; G70-V89 PolarHBondContact N-O 3.5Å; G70-V89 PolarHBondContact O-N 2.92Å; G70-Y177 PolarHBondContact O-OH 2.64Å
71	V	91.5	Very high	87	Confident	46 Å²	46	54.6 Å²	54.6	28%	0.279	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	119.8	176.1	178.4	0	0	0	0	109.4	F73 E86 G173	V71-F73 WeakPolarHBondContact CG1-O 3.1Å; V71-E86 HydrophobicContact CG1-CG 4.08Å; V71-E86 HydrophobicContact CG2-CG 4.21Å; V71-G173 WeakPolarHBondContact O-CA 3.46Å
72	L	90.4	Very high	86.6	Confident	9 Å²	9	55.9 Å²	55.9	5%	0.047	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-40.8	174.4	-175	64.5	0	0	0	110.4	F62 G70 A87 G173 Y177 V184 M187	F62-L72 HydrophobicContact CB-CD1 4.37Å; F62-L72 HydrophobicContact CD1-CD1 3.52Å; F62-L72 HydrophobicContact CD1-CD2 3.9Å; F62-L72 HydrophobicContact CD1-CG 4.37Å; F62-L72 HydrophobicContact CE1-CD1 3.93Å; F62-L72 HydrophobicContact CE1-CD2 3.52Å; F62-L72 HydrophobicContact CE1-CG 4.37Å; F62-L72 HydrophobicContact CG-CD1 3.94Å; F62-L72 HydrophobicContact CZ-CD2 4.34Å; G70-L72 PolarHBondContact O-N 3.41Å; L72-A87 WeakPolarHBondContact CB-O 3.11Å; L72-A87 PolarHBondContact N-O 2.8Å; L72-G173 PolarHBondContact O-N 3.42Å; L72-Y177 HydrophobicContact CD1-CE2 3.92Å; L72-V184 HydrophobicContact CD1-CG2 4.26Å; L72-M187 HydrophobicContact CG-CE 4.13Å
73	F	93.3	Very high	86.3	Confident	3 Å²	3	61 Å²	61	1%	0.013	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	140.8	177.3	179.1	-106.8	0	0	0	110.7	L30 L58 V71 L75 L85 E86 A87 I170 M187 I189	L30-F73 HydrophobicContact CD1-CD2 3.74Å; L30-F73 HydrophobicContact CD1-CE2 3.52Å; L58-F73 HydrophobicContact CD1-CB 4.26Å; L58-F73 HydrophobicContact CD1-CD1 4.3Å; L58-F73 HydrophobicContact CD1-CD2 4.05Å; L58-F73 HydrophobicContact CD1-CG 3.93Å; L58-F73 HydrophobicContact CD2-CB 3.69Å; L58-F73 HydrophobicContact CD2-CD1 4.18Å; L58-F73 HydrophobicContact CD2-CG 4.04Å; V71-F73 WeakPolarHBondContact CG1-O 3.1Å; F73-L75 HydrophobicContact CE1-CB 4.47Å; F73-L85 HydrophobicContact CE1-CD2 4.22Å; F73-L85 HydrophobicContact CE1-CG 4.44Å; F73-E86 CarbonylContact O-C 3.46Å; F73-E86 WeakPolarHBondContact O-CA 3.12Å; F73-A87 HydrophobicContact CB-CB 4.42Å; F73-A87 PolarHBondContact N-O 3.45Å; F73-A87 PolarHBondContact O-N 3.02Å; F73-I170 HydrophobicContact CD2-CG2 4.46Å; F73-I170 HydrophobicContact CE2-CG2 3.77Å; F73-M187 HydrophobicContact CB-CE 3.43Å; F73-M187 VanDerWaalsContact CB-CE 3.43Å; F73-M187 HydrophobicContact CD2-CE 3.96Å; F73-M187 HydrophobicContact CG-CE 4.03Å; F73-I189 HydrophobicContact CZ-CD1 4.44Å
74	G	91.3	Very high	86	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	146.9	163.3	0	0	0	0	0	114.1	Y76 L85 R171	G74-Y76 VanDerWaalsContact C-CE2 3.46Å; G74-Y76 VanDerWaalsContact CA-CE2 3.4Å; G74-L85 CarbonylContact C-O 3.5Å; G74-L85 VanDerWaalsContact CA-O 3.28Å; G74-L85 WeakPolarHBondContact CA-O 3.32Å; G74-R171 PolarHBondContact N-O 2.98Å; G74-R171 PolarHBondContact O-N 2.87Å
75	L	89.4	Confident	86.1	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	112.1	173.3	-174.8	69.6	0	0	0	107.9	I46 F73 W84 L85 I160 L168 I170	I46-L75 HydrophobicContact CG2-CD2 4.38Å; F73-L75 HydrophobicContact CE1-CB 4.47Å; L75-W84 HydrophobicContact CB-CB 4.44Å; L75-W84 HydrophobicContact CD2-CB 4.11Å; L75-W84 HydrophobicContact CG-CB 4.26Å; L75-W84 PolarHBondContact O-N 3.05Å; L75-L85 HydrophobicContact CB-CB 4.49Å; L75-L85 PolarHBondContact N-O 2.72Å; L75-I160 HydrophobicContact CD2-CD1 3.69Å; L75-L168 HydrophobicContact CD1-CB 4.37Å; L75-L168 HydrophobicContact CD1-CD1 4.35Å; L75-L168 HydrophobicContact CD2-CD1 4.49Å; L75-L168 HydrophobicContact CG-CD2 4.34Å; L75-I170 HydrophobicContact CD1-CG1 3.7Å
76	Y	88.8	Confident	86.5	Confident	12 Å²	12	56.4 Å²	56.4	5%	0.047	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	152.5	-171.8	-57.5	-87	0	0	0	111.3	G74 T82 R83 E86 L168 E169 R171	G74-Y76 VanDerWaalsContact C-CE2 3.46Å; G74-Y76 VanDerWaalsContact CA-CE2 3.4Å; Y76-T82 CarbonylContact C-O 3.58Å; Y76-T82 VanDerWaalsContact CA-O 3.27Å; Y76-T82 WeakPolarHBondContact CA-O 3.38Å; Y76-R83 HydrophobicContact CD1-CB 4.26Å; Y76-R83 HydrophobicContact CD1-CG 3.86Å; Y76-R83 HydrophobicContact CE1-CB 4.16Å; Y76-R83 HydrophobicContact CE1-CG 3.66Å; Y76-E86 PolarHBondContact OH-OE2 3.44Å; Y76-L168 CarbonylContact O-C 3.6Å; Y76-L168 WeakPolarHBondContact O-CA 2.92Å; Y76-L168 WeakPolarHBondContact O-CD2 3.31Å; Y76-E169 PolarHBondContact N-O 2.78Å; Y76-E169 PolarHBondContact O-N 2.97Å; Y76-R171 HydrophobicContact CD2-CB 4.15Å; Y76-R171 HydrophobicContact CD2-CG 3.83Å; Y76-R171 HydrophobicContact CE2-CB 3.9Å; Y76-R171 HydrophobicContact CE2-CG 4.03Å
77	S	84.1	Confident	86.8	Confident	12 Å²	12	52.6 Å²	52.6	8%	0.084	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	133.8	163.5	167.9	0	0	0	0	110.3	Q79 D80 N81 T82	S77-Q79 VanDerWaalsContact C-N 3.31Å; S77-Q79 PolarHBondContact O-N 3.16Å; S77-Q79 PolarHBondContact OG-N 3.48Å; S77-D80 WeakPolarHBondContact CB-OD1 3.41Å; S77-D80 PolarHBondContact OG-OD1 3.24Å; S77-N81 WeakPolarHBondContact O-CA 3.16Å; S77-N81 PolarHBondContact O-N 2.78Å; S77-T82 WeakPolarHBondContact CB-OG1 3.34Å; S77-T82 PolarHBondContact N-O 3.41Å
78	R	80.7	Confident	87.4	Confident	200 Å²	200	46.5 Å²	46.5	76%	0.755	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-20.5	178.3	-173.3	174.1	168.5	171.3	-0.4	112.9	G167	R78-G167 WeakPolarHBondContact CB-O 3.35Å; R78-G167 PolarHBondContact N-O 3.3Å
79	Q	79.2	Confident	87.6	Confident	178 Å²	178	43 Å²	43	83%	0.832	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-41.8	-176.3	-66.4	-175.7	3.6	0	0	112.5	S77	S77-Q79 VanDerWaalsContact C-N 3.31Å; S77-Q79 PolarHBondContact O-N 3.16Å; S77-Q79 PolarHBondContact OG-N 3.48Å
80	D	81	Confident	87.8	Confident	100 Å²	100	43.7 Å²	43.7	54%	0.535	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.6	5.7	-171.3	63.2	-4.1	0	0	0	113.3	S77 T82	S77-D80 WeakPolarHBondContact CB-OD1 3.41Å; S77-D80 PolarHBondContact OG-OD1 3.24Å; D80-T82 HydrophobicContact CB-CG2 4.39Å; D80-T82 PolarHBondContact O-N 2.8Å; D80-T82 VanDerWaalsContact O-N 3.14Å; D80-T82 WeakPolarHBondContact OD1-CB 3.49Å; D80-T82 WeakPolarHBondContact OD1-CG2 3.49Å; D80-T82 PolarHBondContact OD1-N 2.84Å; D80-T82 PolarHBondContact OD1-OG1 3.03Å; D80-T82 WeakPolarHBondContact OD2-CG2 3.41Å
81	N	81.4	Confident	87.5	Confident	83 Å²	83	42.9 Å²	42.9	44%	0.444	21%	0.206	S	C	.	.			trans	59.1	22	179.7	-150.7	38.4	0	0	0	113.4	S77 R171	S77-N81 WeakPolarHBondContact O-CA 3.16Å; S77-N81 PolarHBondContact O-N 2.78Å; N81-R171 PolarHBondContact OD1-NH1 2.84Å; N81-R171 PolarHBondContact OD1-NH2 2.85Å; N81-R171 VanDerWaalsContact OD1-NH2 3.16Å
82	T	83.2	Confident	86.9	Confident	45 Å²	45	49.4 Å²	49.4	28%	0.276	23%	0.23	S	C	.	.			trans	-63.2	136.7	176.5	47.9	0	0	0	0	111.2	Y76 S77 D80	Y76-T82 CarbonylContact C-O 3.58Å; Y76-T82 VanDerWaalsContact CA-O 3.27Å; Y76-T82 WeakPolarHBondContact CA-O 3.38Å; S77-T82 WeakPolarHBondContact CB-OG1 3.34Å; S77-T82 PolarHBondContact N-O 3.41Å; D80-T82 HydrophobicContact CB-CG2 4.39Å; D80-T82 PolarHBondContact O-N 2.8Å; D80-T82 VanDerWaalsContact O-N 3.14Å; D80-T82 WeakPolarHBondContact OD1-CB 3.49Å; D80-T82 WeakPolarHBondContact OD1-CG2 3.49Å; D80-T82 PolarHBondContact OD1-N 2.84Å; D80-T82 PolarHBondContact OD1-OG1 3.03Å; D80-T82 WeakPolarHBondContact OD2-CG2 3.41Å
83	R	85.9	Confident	86.5	Confident	106 Å²	106	53.5 Å²	53.5	40%	0.4	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	105.9	-173.4	-43.5	-170.7	-176.9	-177.4	6.7	109.9	Y76 E86	Y76-R83 HydrophobicContact CD1-CB 4.26Å; Y76-R83 HydrophobicContact CD1-CG 3.86Å; Y76-R83 HydrophobicContact CE1-CB 4.16Å; Y76-R83 HydrophobicContact CE1-CG 3.66Å; R83-E86 WeakPolarHBondContact CD-OE2 3.15Å; R83-E86 IonicContact CZ-OE2 3.41Å; R83-E86 IonicContact NE-OE2 3.65Å; R83-E86 IonicContact NH1-OE1 3.48Å; R83-E86 PolarHBondContact NH1-OE1 2.89Å; R83-E86 IonicContact NH1-OE2 3.64Å; R83-E86 PolarHBondContact NH1-OE2 3.13Å
84	W	87	Confident	85.8	Confident	19 Å²	19	56.5 Å²	56.5	7%	0.072	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-43.6	178.2	-76.1	95.3	0	0	0	111.8	L75 Y100 Q101 A158 I160 E164 L168	L75-W84 HydrophobicContact CB-CB 4.44Å; L75-W84 HydrophobicContact CD2-CB 4.11Å; L75-W84 HydrophobicContact CG-CB 4.26Å; L75-W84 PolarHBondContact O-N 3.05Å; W84-Y100 WeakPolarHBondContact O-CA 3.47Å; W84-Q101 HydrophobicContact CE3-CB 4.26Å; W84-Q101 PolarHBondContact O-N 2.84Å; W84-A158 HydrophobicContact CE3-CB 4.45Å; W84-A158 HydrophobicContact CZ3-CB 3.7Å; W84-I160 HydrophobicContact CB-CD1 4.49Å; W84-I160 HydrophobicContact CD2-CD1 4.42Å; W84-I160 HydrophobicContact CD2-CG1 3.73Å; W84-I160 HydrophobicContact CE3-CB 4.48Å; W84-I160 HydrophobicContact CE3-CD1 4.43Å; W84-I160 HydrophobicContact CE3-CG1 3.48Å; W84-I160 VanDerWaalsContact CE3-CG1 3.48Å; W84-I160 HydrophobicContact CG-CD1 4.43Å; W84-I160 HydrophobicContact CG-CG1 4.24Å; W84-I160 HydrophobicContact CH2-CG1 4.46Å; W84-I160 HydrophobicContact CZ3-CB 4.43Å; W84-I160 HydrophobicContact CZ3-CG1 3.85Å; W84-E164 WeakPolarHBondContact CZ2-OE2 3.45Å; W84-L168 HydrophobicContact CG-CD2 4.39Å
85	L	89.3	Confident	85.6	Confident	16 Å²	16	59.3 Å²	59.3	8%	0.084	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	128.5	174.9	-179.6	62.9	0	0	0	109.2	F73 G74 L75 V98 R99 L129	F73-L85 HydrophobicContact CE1-CD2 4.22Å; F73-L85 HydrophobicContact CE1-CG 4.44Å; G74-L85 CarbonylContact C-O 3.5Å; G74-L85 VanDerWaalsContact CA-O 3.28Å; G74-L85 WeakPolarHBondContact CA-O 3.32Å; L75-L85 HydrophobicContact CB-CB 4.49Å; L75-L85 PolarHBondContact N-O 2.72Å; L85-V98 HydrophobicContact CD1-CG1 4.11Å; L85-R99 CarbonylContact C-O 3.56Å; L85-R99 WeakPolarHBondContact CA-O 3.23Å; L85-L129 HydrophobicContact CD1-CD2 4.31Å; L85-L129 HydrophobicContact CD2-CD2 4.46Å
86	E	92.6	Very high	85.7	Confident	3 Å²	3	59.6 Å²	59.6	1%	0.014	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	131.4	179	176.9	-177.2	93.8	0	0	108.9	V71 F73 Y76 R83 V98 R99	V71-E86 HydrophobicContact CG1-CG 4.08Å; V71-E86 HydrophobicContact CG2-CG 4.21Å; F73-E86 CarbonylContact O-C 3.46Å; F73-E86 WeakPolarHBondContact O-CA 3.12Å; Y76-E86 PolarHBondContact OH-OE2 3.44Å; R83-E86 WeakPolarHBondContact CD-OE2 3.15Å; R83-E86 IonicContact CZ-OE2 3.41Å; R83-E86 IonicContact NE-OE2 3.65Å; R83-E86 IonicContact NH1-OE1 3.48Å; R83-E86 PolarHBondContact NH1-OE1 2.89Å; R83-E86 IonicContact NH1-OE2 3.64Å; R83-E86 PolarHBondContact NH1-OE2 3.13Å; E86-V98 CarbonylContact O-C 3.45Å; E86-V98 VanDerWaalsContact O-CA 3.27Å; E86-V98 WeakPolarHBondContact O-CA 3.41Å; E86-R99 HydrophobicContact CB-CB 4.35Å; E86-R99 PolarHBondContact N-O 2.9Å; E86-R99 PolarHBondContact O-N 3.07Å; E86-R99 IonicContact OE1-NH1 3.46Å; E86-R99 PolarHBondContact OE1-NH1 3.26Å
87	A	92.3	Very high	85.8	Confident	4 Å²	4	59.6 Å²	59.6	3%	0.033	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.8	168.3	0	0	0	0	0	108.3	L58 L72 F73 V98	L58-A87 HydrophobicContact CD2-CB 3.94Å; L72-A87 WeakPolarHBondContact CB-O 3.11Å; L72-A87 PolarHBondContact N-O 2.8Å; F73-A87 HydrophobicContact CB-CB 4.42Å; F73-A87 PolarHBondContact N-O 3.45Å; F73-A87 PolarHBondContact O-N 3.02Å; A87-V98 HydrophobicContact CB-CG2 4.33Å
88	S	93.1	Very high	86.2	Confident	8 Å²	8	59 Å²	59	6%	0.056	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	146.2	-176.8	54.3	0	0	0	0	110.4	G70 V96 L97	G70-S88 WeakPolarHBondContact O-CA 3.14Å; S88-V96 CarbonylContact O-C 3.54Å; S88-V96 WeakPolarHBondContact O-CA 3.12Å; S88-L97 PolarHBondContact N-O 2.81Å; S88-L97 PolarHBondContact O-N 3.45Å; S88-L97 PolarHBondContact OG-O 3.15Å; S88-L97 VanDerWaalsContact OG-O 3.05Å
89	V	91.5	Very high	86.7	Confident	6 Å²	6	53.3 Å²	53.3	4%	0.036	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	129.3	172.4	-177.2	0	0	0	0	107.3	F62 L64 G69 G70 L117	F62-V89 HydrophobicContact CE1-CG2 4.5Å; F62-V89 HydrophobicContact CE2-CG2 4.15Å; F62-V89 HydrophobicContact CZ-CG2 3.7Å; L64-V89 HydrophobicContact CD1-CB 3.91Å; L64-V89 HydrophobicContact CD1-CG1 3.81Å; L64-V89 HydrophobicContact CD1-CG2 4.42Å; G69-V89 CarbonylContact C-O 3.33Å; G69-V89 VanDerWaalsContact C-O 3.3Å; G69-V89 WeakPolarHBondContact CA-O 3.44Å; G70-V89 PolarHBondContact N-O 3.5Å; G70-V89 PolarHBondContact O-N 2.92Å; V89-L117 HydrophobicContact CG1-CB 3.95Å; V89-L117 HydrophobicContact CG1-CD1 4.46Å
90	V	89.3	Confident	87.2	Confident	47 Å²	47	45.3 Å²	45.3	29%	0.285	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	93.2	176.8	-167.3	0	0	0	0	107.6	I93 N94 K95 L97	V90-I93 HydrophobicContact CB-CD1 4.32Å; V90-I93 HydrophobicContact CB-CG1 3.95Å; V90-I93 HydrophobicContact CG1-CD1 3.91Å; V90-I93 HydrophobicContact CG1-CG1 3.64Å; V90-I93 PolarHBondContact O-N 2.9Å; V90-N94 PolarHBondContact O-N 3.01Å; V90-K95 PolarHBondContact N-O 3.16Å; V90-K95 PolarHBondContact O-N 3.45Å; V90-L97 HydrophobicContact CG2-CB 4.14Å; V90-L97 HydrophobicContact CG2-CD2 4.45Å
91	G	81.5	Confident	87.6	Confident	3 Å²	3	42.1 Å²	42.1	3%	0.031	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-60.5	-45.8	-173.6	0	0	0	0	0	113.8	K67 Q68 I93 N94	K67-G91 CarbonylContact O-C 3.5Å; Q68-G91 VanDerWaalsContact O-CA 3.28Å; Q68-G91 WeakPolarHBondContact O-CA 3.45Å; G91-I93 PolarHBondContact O-N 2.9Å; G91-N94 PolarHBondContact O-N 3.07Å; G91-N94 VanDerWaalsContact O-N 3.08Å
92	K	80.6	Confident	87.9	Confident	182 Å²	182	41.1 Å²	41.1	79%	0.791	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-51.4	-34.5	-179.3	-69.1	-166.1	176	-166.7	0	114	K67	K67-K92 WeakPolarHBondContact O-CG 3.32Å; K67-K92 PolarHBondContact O-N 2.93Å
93	I	80.4	Confident	87.6	Confident	96 Å²	96	46 Å²	46	49%	0.492	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-116.1	7.8	-177.4	62.6	178.9	0	0	0	113.4	V90 G91 K95	V90-I93 HydrophobicContact CB-CD1 4.32Å; V90-I93 HydrophobicContact CB-CG1 3.95Å; V90-I93 HydrophobicContact CG1-CD1 3.91Å; V90-I93 HydrophobicContact CG1-CG1 3.64Å; V90-I93 PolarHBondContact O-N 2.9Å; G91-I93 PolarHBondContact O-N 2.9Å; I93-K95 HydrophobicContact CD1-CB 4.43Å; I93-K95 HydrophobicContact CD1-CD 3.83Å; I93-K95 HydrophobicContact CD1-CG 4.34Å; I93-K95 HydrophobicContact CG1-CB 4.2Å; I93-K95 HydrophobicContact CG1-CD 4.11Å; I93-K95 HydrophobicContact CG1-CG 4.12Å; I93-K95 WeakPolarHBondContact O-CG 3.28Å; I93-K95 PolarHBondContact O-N 2.86Å
94	N	79.8	Confident	87.3	Confident	65 Å²	65	45.2 Å²	45.2	35%	0.348	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	58.6	-178.8	-71.9	-54.5	0	0	0	113.2	V90 G91 Q114 G116	V90-N94 PolarHBondContact O-N 3.01Å; G91-N94 PolarHBondContact O-N 3.07Å; G91-N94 VanDerWaalsContact O-N 3.08Å; N94-Q114 CarbonylContact C-O 3.59Å; N94-Q114 VanDerWaalsContact C-O 3.25Å; N94-Q114 WeakPolarHBondContact CB-O 3.48Å; N94-Q114 CarbonylContact O-C 3.58Å; N94-Q114 PolarHBondContact O-N 3.29Å; N94-G116 PolarHBondContact OD1-N 2.84Å; N94-G116 VanDerWaalsContact OD1-N 3.13Å
95	K	86.6	Confident	86.8	Confident	60 Å²	60	46.4 Å²	46.4	26%	0.261	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	146.9	177.8	-66.4	180	-167.4	169.4	0	111.8	V90 I93 L112	V90-K95 PolarHBondContact N-O 3.16Å; V90-K95 PolarHBondContact O-N 3.45Å; I93-K95 HydrophobicContact CD1-CB 4.43Å; I93-K95 HydrophobicContact CD1-CD 3.83Å; I93-K95 HydrophobicContact CD1-CG 4.34Å; I93-K95 HydrophobicContact CG1-CB 4.2Å; I93-K95 HydrophobicContact CG1-CD 4.11Å; I93-K95 HydrophobicContact CG1-CG 4.12Å; I93-K95 WeakPolarHBondContact O-CG 3.28Å; I93-K95 PolarHBondContact O-N 2.86Å; K95-L112 WeakPolarHBondContact CA-O 3.01Å
96	V	90.6	Very high	86.6	Confident	6 Å²	6	52.1 Å²	52.1	4%	0.036	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	120.5	164.3	-177.3	0	0	0	0	107.9	S88 V98 L112 L117 L127 L141	S88-V96 CarbonylContact O-C 3.54Å; S88-V96 WeakPolarHBondContact O-CA 3.12Å; V96-V98 HydrophobicContact CG1-CG2 4.36Å; V96-L112 HydrophobicContact CB-CB 4.34Å; V96-L112 PolarHBondContact N-O 3.22Å; V96-L112 WeakPolarHBondContact O-CB 3.32Å; V96-L112 PolarHBondContact O-N 3.16Å; V96-L117 HydrophobicContact CG2-CD1 3.21Å; V96-L127 HydrophobicContact CG1-CD1 4.22Å; V96-L141 HydrophobicContact CB-CD1 4.38Å; V96-L141 HydrophobicContact CB-CD2 3.98Å; V96-L141 HydrophobicContact CG1-CD1 4.42Å; V96-L141 HydrophobicContact CG2-CD1 4.05Å; V96-L141 HydrophobicContact CG2-CD2 3.7Å
97	L	91.8	Very high	86.3	Confident	13 Å²	13	55.8 Å²	55.8	7%	0.068	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	118.9	-178.2	178	50.1	0	0	0	110.2	S88 V90 R99 A109 V110 N111	S88-L97 PolarHBondContact N-O 2.81Å; S88-L97 PolarHBondContact O-N 3.45Å; S88-L97 PolarHBondContact OG-O 3.15Å; S88-L97 VanDerWaalsContact OG-O 3.05Å; V90-L97 HydrophobicContact CG2-CB 4.14Å; V90-L97 HydrophobicContact CG2-CD2 4.45Å; L97-R99 HydrophobicContact CD1-CG 4.29Å; L97-R99 HydrophobicContact CG-CG 4.23Å; L97-A109 HydrophobicContact CD1-CB 3.95Å; L97-V110 WeakPolarHBondContact CD1-O 3.33Å; L97-N111 WeakPolarHBondContact CD1-OD1 3.37Å
98	V	92.2	Very high	86.2	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	117.4	178.1	-179	0	0	0	0	109.1	L85 E86 A87 V96 A109 V110 L112 L127 L139	L85-V98 HydrophobicContact CD1-CG1 4.11Å; E86-V98 CarbonylContact O-C 3.45Å; E86-V98 VanDerWaalsContact O-CA 3.27Å; E86-V98 WeakPolarHBondContact O-CA 3.41Å; A87-V98 HydrophobicContact CB-CG2 4.33Å; V96-V98 HydrophobicContact CG1-CG2 4.36Å; V98-A109 CarbonylContact O-C 3.47Å; V98-A109 WeakPolarHBondContact O-CA 3.16Å; V98-V110 PolarHBondContact N-O 2.98Å; V98-V110 PolarHBondContact O-N 2.69Å; V98-L112 HydrophobicContact CG2-CD1 4.2Å; V98-L127 HydrophobicContact CG1-CD2 4.49Å; V98-L127 HydrophobicContact CG2-CD1 3.77Å; V98-L127 HydrophobicContact CG2-CD2 3.91Å; V98-L127 HydrophobicContact CG2-CG 4.45Å; V98-L139 HydrophobicContact CB-CD2 3.8Å; V98-L139 HydrophobicContact CG1-CD2 4.1Å; V98-L139 HydrophobicContact CG2-CD2 3.82Å
99	R	91.9	Very high	86.1	Confident	80 Å²	80	60 Å²	60	30%	0.302	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137	178	-65.1	-175.6	175.1	102.2	-6.1	110.2	L85 E86 L97 V107 H108 A109	L85-R99 CarbonylContact C-O 3.56Å; L85-R99 WeakPolarHBondContact CA-O 3.23Å; E86-R99 HydrophobicContact CB-CB 4.35Å; E86-R99 PolarHBondContact N-O 2.9Å; E86-R99 PolarHBondContact O-N 3.07Å; E86-R99 IonicContact OE1-NH1 3.46Å; E86-R99 PolarHBondContact OE1-NH1 3.26Å; L97-R99 HydrophobicContact CD1-CG 4.29Å; L97-R99 HydrophobicContact CG-CG 4.23Å; R99-V107 HydrophobicContact CB-CG1 4.01Å; R99-H108 CarbonylContact C-O 3.36Å; R99-H108 VanDerWaalsContact CA-O 3.28Å; R99-H108 WeakPolarHBondContact CA-O 3.35Å; R99-A109 HydrophobicContact CG-CB 4Å
100	Y	90.2	Very high	86	Confident	10 Å²	10	60 Å²	60	4%	0.039	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	156.6	178.3	68.4	-100.2	0	0	0	113	W84 R102 V107 H108 V110 L154 P155 L157	W84-Y100 WeakPolarHBondContact O-CA 3.47Å; Y100-R102 HydrophobicContact CE2-CG 4.27Å; Y100-V107 CarbonylContact O-C 3.59Å; Y100-V107 WeakPolarHBondContact O-CA 3.43Å; Y100-H108 HydrophobicContact CE1-CB 4.48Å; Y100-H108 AromaticContact CE1-CD2 3.99Å; Y100-H108 HydrophobicContact CE2-CB 4.24Å; Y100-H108 AromaticContact CZ-CD2 3.82Å; Y100-H108 PolarHBondContact N-O 2.85Å; Y100-H108 PolarHBondContact O-N 3.22Å; Y100-V110 HydrophobicContact CE1-CG2 4.06Å; Y100-L154 WeakPolarHBondContact OH-CB 3.33Å; Y100-P155 WeakPolarHBondContact CE2-O 3.32Å; Y100-P155 PolarHBondContact OH-O 2.66Å; Y100-L157 HydrophobicContact CD2-CD1 3.2Å; Y100-L157 HydrophobicContact CD2-CG 4.4Å; Y100-L157 HydrophobicContact CE2-CD1 4.03Å; Y100-L157 HydrophobicContact CG-CD1 3.46Å; Y100-L157 VanDerWaalsContact CG-CD1 3.46Å
101	Q	88.2	Confident	86.1	Confident	32 Å²	32	61.8 Å²	61.8	15%	0.15	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	130.3	179.6	-163.9	169.9	19.3	0	0	111.4	W84 G105 A158	W84-Q101 HydrophobicContact CE3-CB 4.26Å; W84-Q101 PolarHBondContact O-N 2.84Å; Q101-G105 PolarHBondContact NE2-O 3.42Å; Q101-A158 HydrophobicContact CB-CB 4.37Å; Q101-A158 HydrophobicContact CG-CB 4.32Å; Q101-A158 WeakPolarHBondContact O-CB 3.18Å; Q101-A158 PolarHBondContact O-N 3.37Å
102	R	87.2	Confident	86.4	Confident	62 Å²	62	61.6 Å²	61.6	23%	0.234	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-88	163.6	174.2	-59.1	-172.4	-58.7	-161.8	4.6	111	Y100 D104 G105 K106 H108 P155 A158	Y100-R102 HydrophobicContact CE2-CG 4.27Å; R102-D104 VanDerWaalsContact CB-OD1 3.26Å; R102-D104 WeakPolarHBondContact CB-OD1 3.3Å; R102-D104 IonicContact CZ-OD1 3.49Å; R102-D104 IonicContact CZ-OD2 3.46Å; R102-D104 IonicContact NE-OD1 3.66Å; R102-D104 PolarHBondContact NE-OD1 3.31Å; R102-D104 IonicContact NE-OD2 3.18Å; R102-D104 IonicContact NH2-OD1 2.71Å; R102-D104 PolarHBondContact NH2-OD1 3.32Å; R102-D104 IonicContact NH2-OD2 3.37Å; R102-D104 PolarHBondContact NH2-OD2 2.88Å; R102-D104 PolarHBondContact O-N 2.97Å; R102-G105 PolarHBondContact O-N 2.92Å; R102-K106 PolarHBondContact N-O 2.96Å; R102-H108 HydrophobicContact CG-CB 3.66Å; R102-P155 HydrophobicContact CG-CB 4.08Å; R102-A158 WeakPolarHBondContact O-CB 3.47Å
103	E	78	Confident	86.4	Confident	147 Å²	147	59.3 Å²	59.3	69%	0.687	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-24.6	176.5	-71.3	-168.5	155.7	0	0	114.7	G105	E103-G105 PolarHBondContact O-N 2.91Å
104	D	80.1	Confident	85.9	Confident	91 Å²	91	56.7 Å²	56.7	49%	0.487	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	6.1	176.1	73.6	-19.5	0	0	0	114.1	R102 K106	R102-D104 VanDerWaalsContact CB-OD1 3.26Å; R102-D104 WeakPolarHBondContact CB-OD1 3.3Å; R102-D104 IonicContact CZ-OD1 3.49Å; R102-D104 IonicContact CZ-OD2 3.46Å; R102-D104 IonicContact NE-OD1 3.66Å; R102-D104 PolarHBondContact NE-OD1 3.31Å; R102-D104 IonicContact NE-OD2 3.18Å; R102-D104 IonicContact NH2-OD1 2.71Å; R102-D104 PolarHBondContact NH2-OD1 3.32Å; R102-D104 IonicContact NH2-OD2 3.37Å; R102-D104 PolarHBondContact NH2-OD2 2.88Å; R102-D104 PolarHBondContact O-N 2.97Å; D104-K106 PolarHBondContact O-N 3.24Å; D104-K106 WeakPolarHBondContact OD1-CB 3.34Å; D104-K106 PolarHBondContact OD1-N 2.81Å
105	G	76.3	Confident	85	Confident	43 Å²	43	57.4 Å²	57.4	44%	0.443	31%	0.305	S	S	.	.	S	Bend	trans	79.1	-4.3	-179.6	0	0	0	0	0	114.4	Q101 R102 E103	Q101-G105 PolarHBondContact NE2-O 3.42Å; R102-G105 PolarHBondContact O-N 2.92Å; E103-G105 PolarHBondContact O-N 2.91Å
106	K	83.7	Confident	84.4	Confident	136 Å²	136	55.6 Å²	55.6	59%	0.591	30%	0.303	S	S	*	.			trans	-90.3	152.7	179	-62.8	-176.6	178.6	-179.2	0	111.9	R102 D104	R102-K106 PolarHBondContact N-O 2.96Å; D104-K106 PolarHBondContact O-N 3.24Å; D104-K106 WeakPolarHBondContact OD1-CB 3.34Å; D104-K106 PolarHBondContact OD1-N 2.81Å
107	V	87.1	Confident	84	Confident	81 Å²	81	55.4 Å²	55.4	49%	0.491	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	131.5	175.9	-177.8	0	0	0	0	110.2	R99 Y100	R99-V107 HydrophobicContact CB-CG1 4.01Å; Y100-V107 CarbonylContact O-C 3.59Å; Y100-V107 WeakPolarHBondContact O-CA 3.43Å
108	H	89.9	Confident	83.7	Confident	50 Å²	50	55 Å²	55	23%	0.231	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	139.6	170	-166.4	61.7	0	0	0	109.9	R99 Y100 R102	R99-H108 CarbonylContact C-O 3.36Å; R99-H108 VanDerWaalsContact CA-O 3.28Å; R99-H108 WeakPolarHBondContact CA-O 3.35Å; Y100-H108 HydrophobicContact CE1-CB 4.48Å; Y100-H108 AromaticContact CE1-CD2 3.99Å; Y100-H108 HydrophobicContact CE2-CB 4.24Å; Y100-H108 AromaticContact CZ-CD2 3.82Å; Y100-H108 PolarHBondContact N-O 2.85Å; Y100-H108 PolarHBondContact O-N 3.22Å; R102-H108 HydrophobicContact CG-CB 3.66Å
109	A	91	Very high	83.4	Confident	51 Å²	51	58 Å²	58	42%	0.421	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.4	-178.8	0	0	0	0	0	109.9	L97 V98 R99	L97-A109 HydrophobicContact CD1-CB 3.95Å; V98-A109 CarbonylContact O-C 3.47Å; V98-A109 WeakPolarHBondContact O-CA 3.16Å; R99-A109 HydrophobicContact CG-CB 4Å
110	V	90.8	Very high	82.9	Confident	6 Å²	6	54.9 Å²	54.9	4%	0.036	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	120.4	177.3	-173.5	0	0	0	0	108.2	L97 V98 Y100 L112 L139 H151 L154	L97-V110 WeakPolarHBondContact CD1-O 3.33Å; V98-V110 PolarHBondContact N-O 2.98Å; V98-V110 PolarHBondContact O-N 2.69Å; Y100-V110 HydrophobicContact CE1-CG2 4.06Å; V110-L112 HydrophobicContact CG1-CG 4.45Å; V110-L139 HydrophobicContact CB-CD2 4.09Å; V110-L139 HydrophobicContact CG1-CD2 3.92Å; V110-H151 HydrophobicContact CG1-CB 4.02Å; V110-L154 HydrophobicContact CG1-CD2 4.38Å; V110-L154 HydrophobicContact CG2-CD1 4.07Å; V110-L154 HydrophobicContact CG2-CD2 3.69Å
111	N	90.2	Very high	82.7	Confident	83 Å²	83	62.9 Å²	62.9	44%	0.444	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	110	177.4	-68.7	-39.9	0	0	0	109	L97	L97-N111 WeakPolarHBondContact CD1-OD1 3.37Å
112	L	88.1	Confident	82.8	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	121.9	174.3	-65.4	157.9	0	0	0	108.7	K95 V96 V98 V110 L127 L139 L141 D149	K95-L112 WeakPolarHBondContact CA-O 3.01Å; V96-L112 HydrophobicContact CB-CB 4.34Å; V96-L112 PolarHBondContact N-O 3.22Å; V96-L112 WeakPolarHBondContact O-CB 3.32Å; V96-L112 PolarHBondContact O-N 3.16Å; V98-L112 HydrophobicContact CG2-CD1 4.2Å; V110-L112 HydrophobicContact CG1-CG 4.45Å; L112-L127 HydrophobicContact CD1-CD1 3.85Å; L112-L139 HydrophobicContact CD1-CD2 3.42Å; L112-L139 VanDerWaalsContact CD1-CD2 3.42Å; L112-L139 HydrophobicContact CD1-CG 3.91Å; L112-L139 HydrophobicContact CD2-CD2 4.34Å; L112-L139 HydrophobicContact CG-CD2 4.08Å; L112-L141 HydrophobicContact CB-CB 4.35Å; L112-L141 HydrophobicContact CB-CD2 3.88Å; L112-L141 HydrophobicContact CD1-CB 3.92Å; L112-L141 HydrophobicContact CD2-CB 4.45Å; L112-L141 HydrophobicContact CG-CB 4.46Å; L112-D149 WeakPolarHBondContact CA-OD2 3.34Å; L112-D149 HydrophobicContact CB-CB 4.31Å; L112-D149 HydrophobicContact CD2-CB 4.11Å
113	Q	80.7	Confident	82.9	Confident	133 Å²	133	62 Å²	62	62%	0.621	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	125.4	-179.4	-63.7	-159.3	-4.8	0	0	110.3	D149	Q113-D149 PolarHBondContact N-OD2 3.35Å; Q113-D149 WeakPolarHBondContact O-CB 3.5Å
114	Q	70.4	Confident	83.5	Confident	41 Å²	41	56.1 Å²	56.1	19%	0.192	32%	0.317	C	S	.	.			trans	-157.4	114.1	175	-179.1	65.2	22.5	0	0	111.3	N94 L117 L141 V143	N94-Q114 CarbonylContact C-O 3.59Å; N94-Q114 VanDerWaalsContact C-O 3.25Å; N94-Q114 WeakPolarHBondContact CB-O 3.48Å; N94-Q114 CarbonylContact O-C 3.58Å; N94-Q114 PolarHBondContact O-N 3.29Å; Q114-L117 HydrophobicContact CB-CD1 4.34Å; Q114-L117 HydrophobicContact CG-CD1 4.04Å; Q114-L117 HydrophobicContact CG-CG 4.08Å; Q114-L141 HydrophobicContact CB-CD2 3.72Å; Q114-L141 HydrophobicContact CG-CD2 4.26Å; Q114-V143 HydrophobicContact CG-CB 4.26Å; Q114-V143 HydrophobicContact CG-CG2 3.67Å
115	A	59.6	Low	83.9	Confident	81 Å²	81	52.1 Å²	52.1	67%	0.669	30%	0.295	S	S	*	.	S	Bend	trans	-65.2	135	175.7	0	0	0	0	0	112
116	G	74	Confident	84.6	Confident	22 Å²	22	50 Å²	50	23%	0.227	27%	0.274	C	S	.	.			trans	76.1	41.8	158.5	0	0	0	0	0	116.4	N94 H123	N94-G116 PolarHBondContact OD1-N 2.84Å; N94-G116 VanDerWaalsContact OD1-N 3.13Å; G116-H123 PolarHBondContact O-CE1 3.44Å; G116-H123 VanDerWaalsContact O-CE1 3.23Å; G116-H123 PolarHBondContact O-NE2 3.24Å
117	L	81.9	Confident	85	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.01	25%	0.247	C	C	.	.	S	Bend	trans	-88	-12.6	170.2	-78.7	174.9	0	0	0	114.1	F62 V89 V96 Q114 H123 V125 V143	F62-L117 HydrophobicContact CZ-CD2 4.41Å; V89-L117 HydrophobicContact CG1-CB 3.95Å; V89-L117 HydrophobicContact CG1-CD1 4.46Å; V96-L117 HydrophobicContact CG2-CD1 3.21Å; Q114-L117 HydrophobicContact CB-CD1 4.34Å; Q114-L117 HydrophobicContact CG-CD1 4.04Å; Q114-L117 HydrophobicContact CG-CG 4.08Å; L117-H123 HydrophobicContact CD2-CB 3.85Å; L117-V125 HydrophobicContact CD1-CG2 4.3Å; L117-V125 HydrophobicContact CD2-CG2 3.47Å; L117-V125 VanDerWaalsContact CD2-CG2 3.47Å; L117-V143 HydrophobicContact CD1-CG2 4.29Å; L117-V143 HydrophobicContact CD2-CB 4.36Å; L117-V143 HydrophobicContact CD2-CG1 3.47Å; L117-V143 VanDerWaalsContact CD2-CG1 3.47Å; L117-V143 HydrophobicContact CD2-CG2 3.95Å; L117-V143 HydrophobicContact CG-CG1 4.42Å; L117-V143 HydrophobicContact CG-CG2 4.45Å
118	A	85.4	Confident	85.1	Confident	5 Å²	5	40.7 Å²	40.7	4%	0.041	23%	0.227	C	C	.	.	S	Bend	trans	-128	63.6	177.4	0	0	0	0	0	107.3	L64 P66 K67 Q68	L64-A118 HydrophobicContact CB-CB 3.94Å; L64-A118 HydrophobicContact CD1-CB 4.37Å; P66-A118 CarbonylContact C-O 3.51Å; P66-A118 WeakPolarHBondContact CA-O 3.32Å; K67-A118 PolarHBondContact N-O 3.32Å; Q68-A118 WeakPolarHBondContact O-CB 3.31Å
119	D	85.8	Confident	85	Confident	62 Å²	62	39.2 Å²	39.2	33%	0.332	22%	0.22	S	C	.	.	S	Bend	trans	-111.9	9.5	-179.7	72.4	-9.1	0	0	0	111.8	R121 H123	D119-R121 VanDerWaalsContact C-N 3.31Å; D119-R121 PolarHBondContact O-N 2.81Å; D119-R121 WeakPolarHBondContact OD1-CA 3.5Å; D119-R121 VanDerWaalsContact OD1-CB 3.23Å; D119-R121 WeakPolarHBondContact OD1-CB 3.43Å; D119-R121 PolarHBondContact OD1-N 3.11Å; D119-H123 VanDerWaalsContact CG-NE2 3.29Å; D119-H123 IonicContact OD1-CD2 2.99Å; D119-H123 IonicContact OD1-CE1 3.8Å; D119-H123 IonicContact OD1-NE2 3.05Å; D119-H123 PolarHBondContact OD1-NE2 3.16Å; D119-H123 IonicContact OD2-CE1 2.66Å; D119-H123 IonicContact OD2-NE2 3.05Å; D119-H123 PolarHBondContact OD2-NE2 2.83Å
120	G	81.4	Confident	84.7	Confident	14 Å²	14	42.7 Å²	42.7	14%	0.144	22%	0.222	C	C	.	.	S	Bend	trans	80	2.5	-175.1	0	0	0	0	0	114.7	R63 L64	R63-G120 PolarHBondContact NE-O 2.98Å; R63-G120 PolarHBondContact NH2-O 3.09Å; R63-G120 VanDerWaalsContact NH2-O 3.15Å; L64-G120 WeakPolarHBondContact O-CA 3.34Å; L64-G120 PolarHBondContact O-N 3.39Å
121	R	88	Confident	83.9	Confident	178 Å²	178	42.5 Å²	42.5	67%	0.672	22%	0.222	S	C	*	.	S	Bend	trans	-101.1	166	174.4	-57.9	-179.3	177.3	-177.7	1.7	111.4	R63 D119 H123	R63-R121 WeakPolarHBondContact CG-O 3.06Å; D119-R121 VanDerWaalsContact C-N 3.31Å; D119-R121 PolarHBondContact O-N 2.81Å; D119-R121 WeakPolarHBondContact OD1-CA 3.5Å; D119-R121 VanDerWaalsContact OD1-CB 3.23Å; D119-R121 WeakPolarHBondContact OD1-CB 3.43Å; D119-R121 PolarHBondContact OD1-N 3.11Å; R121-H123 PolarHBondContact O-CD2 2.98Å
122	T	88.7	Confident	82.9	Confident	63 Å²	63	38.8 Å²	38.8	39%	0.387	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	124	176.3	-54.8	0	0	0	0	108.5	T61	T61-T122 HydrophobicContact CG2-CG2 3.45Å; T61-T122 VanDerWaalsContact CG2-CG2 3.45Å
123	H	89.8	Confident	81.7	Confident	13 Å²	13	42.1 Å²	42.1	6%	0.06	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	146.4	178.3	-65.3	-76.3	0	0	0	111.1	T61 F62 G116 L117 D119 R121 D144	T61-H123 WeakPolarHBondContact CA-O 3.44Å; F62-H123 PolarHBondContact N-O 3.35Å; F62-H123 PolarHBondContact O-N 3.05Å; G116-H123 PolarHBondContact O-CE1 3.44Å; G116-H123 VanDerWaalsContact O-CE1 3.23Å; G116-H123 PolarHBondContact O-NE2 3.24Å; L117-H123 HydrophobicContact CD2-CB 3.85Å; D119-H123 VanDerWaalsContact CG-NE2 3.29Å; D119-H123 IonicContact OD1-CD2 2.99Å; D119-H123 IonicContact OD1-CE1 3.8Å; D119-H123 IonicContact OD1-NE2 3.05Å; D119-H123 PolarHBondContact OD1-NE2 3.16Å; D119-H123 IonicContact OD2-CE1 2.66Å; D119-H123 IonicContact OD2-NE2 3.05Å; D119-H123 PolarHBondContact OD2-NE2 2.83Å; R121-H123 PolarHBondContact O-CD2 2.98Å; H123-D144 WeakPolarHBondContact CA-OD1 3.34Å; H123-D144 IonicContact CE1-OD2 3.66Å; H123-D144 IonicContact CG-OD2 2.67Å; H123-D144 IonicContact ND1-OD1 3.26Å; H123-D144 IonicContact ND1-OD2 3.69Å; H123-D144 PolarHBondContact ND1-OD2 3.1Å
124	T	89.7	Confident	81.1	Confident	24 Å²	24	43.4 Å²	43.4	15%	0.147	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	113.6	169.9	-58.5	0	0	0	0	109.5	L59 S60 T61 V143 D144	L59-T124 HydrophobicContact CD1-CG2 3.79Å; S60-T124 WeakPolarHBondContact O-CA 3.22Å; T61-T124 PolarHBondContact OG1-OG1 3.31Å; T124-V143 WeakPolarHBondContact O-CA 3.4Å; T124-D144 PolarHBondContact N-OD1 2.99Å; T124-D144 PolarHBondContact O-N 2.92Å
125	V	90.5	Very high	80.6	Confident	6 Å²	6	47.3 Å²	47.3	4%	0.036	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	131.3	179.4	179.6	0	0	0	0	110.3	L59 S60 F62 L117 L141 Y142 V143	L59-V125 WeakPolarHBondContact CA-O 3.33Å; S60-V125 PolarHBondContact N-O 3.11Å; S60-V125 PolarHBondContact O-N 2.89Å; F62-V125 HydrophobicContact CE1-CB 3.92Å; F62-V125 HydrophobicContact CE1-CG2 3.52Å; F62-V125 HydrophobicContact CZ-CG2 3.76Å; L117-V125 HydrophobicContact CD1-CG2 4.3Å; L117-V125 HydrophobicContact CD2-CG2 3.47Å; L117-V125 VanDerWaalsContact CD2-CG2 3.47Å; V125-L141 HydrophobicContact CG1-CD1 3.52Å; V125-Y142 WeakPolarHBondContact CA-O 3.48Å; V125-V143 HydrophobicContact CG2-CG2 4.11Å
126	L	90.3	Very high	81.1	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	113.4	173.8	175.7	68.1	0	0	0	109.9	Y57 L58 L59 Y142 M195 V198 F206	Y57-L126 HydrophobicContact CD1-CD1 4.21Å; L58-L126 CarbonylContact O-C 3.44Å; L58-L126 WeakPolarHBondContact O-CA 3.28Å; L59-L126 HydrophobicContact CB-CD1 3.94Å; L59-L126 HydrophobicContact CD1-CB 4.11Å; L59-L126 HydrophobicContact CD1-CD1 4.16Å; L126-Y142 PolarHBondContact N-O 3.14Å; L126-Y142 PolarHBondContact O-N 2.04Å; L126-M195 HydrophobicContact CD2-CE 3.25Å; L126-M195 HydrophobicContact CD2-SD 4.02Å; L126-M195 HydrophobicContact CG-CE 4.39Å; L126-V198 HydrophobicContact CD1-CG1 3.82Å; L126-V198 HydrophobicContact CD2-CG1 3.99Å; L126-F206 HydrophobicContact CB-CE1 4.06Å; L126-F206 HydrophobicContact CB-CE2 4.44Å; L126-F206 HydrophobicContact CB-CZ 3.83Å; L126-F206 HydrophobicContact CD2-CD1 4.25Å; L126-F206 HydrophobicContact CD2-CD2 3.78Å; L126-F206 HydrophobicContact CD2-CE1 4.05Å; L126-F206 HydrophobicContact CD2-CE2 3.54Å; L126-F206 HydrophobicContact CD2-CG 4.16Å; L126-F206 HydrophobicContact CD2-CZ 3.72Å; L126-F206 HydrophobicContact CG-CZ 4.44Å
127	L	90.8	Very high	81.4	Confident	6 Å²	6	46.8 Å²	46.8	3%	0.031	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	117.7	175.9	-158.5	99.3	0	0	0	109.2	Y57 L58 V96 V98 L112 L129 L139 L141	Y57-L127 WeakPolarHBondContact CA-O 3.37Å; L58-L127 HydrophobicContact CB-CB 4.07Å; L58-L127 PolarHBondContact N-O 3.02Å; L58-L127 PolarHBondContact O-N 3.33Å; V96-L127 HydrophobicContact CG1-CD1 4.22Å; V98-L127 HydrophobicContact CG1-CD2 4.49Å; V98-L127 HydrophobicContact CG2-CD1 3.77Å; V98-L127 HydrophobicContact CG2-CD2 3.91Å; V98-L127 HydrophobicContact CG2-CG 4.45Å; L112-L127 HydrophobicContact CD1-CD1 3.85Å; L127-L129 HydrophobicContact CD2-CD1 3.91Å; L127-L139 HydrophobicContact CD1-CD1 4.42Å; L127-L139 HydrophobicContact CD2-CD1 3.77Å; L127-L139 HydrophobicContact CG-CD1 3.87Å; L127-L141 HydrophobicContact CD1-CD1 4.02Å
128	R	90	Very high	81.6	Confident	15 Å²	15	47.2 Å²	47.2	6%	0.057	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	114.4	177.7	177.1	-176.1	-174	-179.7	-3.1	109.8	D55 Y57 L139 H140 Y142	D55-R128 IonicContact OD2-CZ 4Å; D55-R128 IonicContact OD2-NE 3.1Å; D55-R128 PolarHBondContact OD2-NE 3.19Å; D55-R128 IonicContact OD2-NH2 3Å; D55-R128 PolarHBondContact OD2-NH2 3.16Å; Y57-R128 HydrophobicContact CD1-CB 3.87Å; Y57-R128 HydrophobicContact CD1-CG 3.87Å; Y57-R128 HydrophobicContact CE1-CB 3.93Å; Y57-R128 HydrophobicContact CE1-CG 3.46Å; Y57-R128 VanDerWaalsContact CE1-CG 3.46Å; R128-L139 WeakPolarHBondContact O-CA 3.3Å; R128-H140 HydrophobicContact CB-CB 4.29Å; R128-H140 PolarHBondContact N-O 3.09Å; R128-H140 PolarHBondContact O-N 2.65Å; R128-Y142 HydrophobicContact CB-CE2 4.46Å
129	L	88.1	Confident	81.8	Confident	19 Å²	19	47.2 Å²	47.2	10%	0.099	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	109.5	168	-63.9	98.7	0	0	0	109.1	D55 I56 L85 L127 L139	D55-L129 WeakPolarHBondContact CA-O 3.42Å; I56-L129 HydrophobicContact CB-CB 4.46Å; I56-L129 PolarHBondContact N-O 3.26Å; I56-L129 PolarHBondContact O-N 2.68Å; L85-L129 HydrophobicContact CD1-CD2 4.31Å; L85-L129 HydrophobicContact CD2-CD2 4.46Å; L127-L129 HydrophobicContact CD2-CD1 3.91Å; L129-L139 HydrophobicContact CD1-CD1 4.44Å; L129-L139 HydrophobicContact CD2-CD1 4.28Å; L129-L139 HydrophobicContact CG-CD1 3.72Å
130	R	84.6	Confident	82	Confident	123 Å²	123	45.1 Å²	45.1	46%	0.464	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	113.5	-178.5	-166.6	-176.1	-174.3	166.3	2.4	110.6	D55 P137 A138	D55-R130 WeakPolarHBondContact OD1-CA 3.39Å; D55-R130 WeakPolarHBondContact OD1-CG 2.98Å; R130-P137 WeakPolarHBondContact O-CA 3.49Å; R130-A138 HydrophobicContact CB-CB 4.19Å; R130-A138 WeakPolarHBondContact CB-O 3.13Å; R130-A138 PolarHBondContact N-O 3.14Å; R130-A138 PolarHBondContact O-N 3.02Å
131	G	74.5	Confident	82.5	Confident	2 Å²	2	44.5 Å²	44.5	2%	0.021	23%	0.226	C	C	.	.			trans	57.9	63.5	173.9	0	0	0	0	0	114.4	G54 S133 R134	G54-G131 WeakPolarHBondContact O-CA 3.32Å; G54-G131 PolarHBondContact O-N 2.97Å; G54-G131 VanDerWaalsContact O-N 3.08Å; G131-S133 PolarHBondContact O-N 3.19Å; G131-S133 VanDerWaalsContact O-N 3.16Å; G131-R134 WeakPolarHBondContact O-CB 3.45Å; G131-R134 PolarHBondContact O-N 3.05Å
132	P	67.8	Low	82.5	Confident	5 Å²	5	36.4 Å²	36.4	3%	0.032	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.8	-174.1	23.4	-32.3	0	0	0	114.4	L50 G54 I56 L157	L50-P132 HydrophobicContact CD2-CB 4.11Å; L50-P132 HydrophobicContact CD2-CG 4.14Å; G54-P132 VanDerWaalsContact O-CD 3.26Å; G54-P132 WeakPolarHBondContact O-CD 3.33Å; I56-P132 HydrophobicContact CD1-CG 3.99Å; P132-L157 HydrophobicContact CB-CD2 4.38Å; P132-L157 PolarHBondContact O-N 3.29Å
133	S	63.8	Low	82.5	Confident	70 Å²	70	33.8 Å²	33.8	49%	0.49	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	1.8	175.6	60.6	0	0	0	0	114.6	G131	G131-S133 PolarHBondContact O-N 3.19Å; G131-S133 VanDerWaalsContact O-N 3.16Å
134	R	68.1	Low	82.3	Confident	160 Å²	160	36.4 Å²	36.4	60%	0.604	19%	0.194	S	C	*	.	S	Bend	trans	-81.4	160.1	176.6	-66.7	-171.5	178.2	-159.1	-0.2	110.3	G131 S136 P137	G131-R134 WeakPolarHBondContact O-CB 3.45Å; G131-R134 PolarHBondContact O-N 3.05Å; R134-S136 PolarHBondContact O-N 3.28Å; R134-P137 WeakPolarHBondContact O-CD 3.47Å
135	P	59.8	Low	81.9	Confident	124 Å²	124	36.5 Å²	36.5	81%	0.805	20%	0.195	S	C	*	.	S	Bend	trans	-69.6	-9.1	177.4	25.3	-34.1	0	0	0	114.5
136	S	69.9	Low	81.5	Confident	79 Å²	79	43.9 Å²	43.9	55%	0.552	23%	0.227	S	C	*	.	S	Bend	trans	-142.7	68.3	178.1	63.5	0	0	0	0	111.8	R134	R134-S136 PolarHBondContact O-N 3.28Å
137	P	81.6	Confident	81.2	Confident	12 Å²	12	47.8 Å²	47.8	8%	0.078	25%	0.247	C	C	.	.			trans	-57	152.4	172.3	19.8	-31.9	0	0	0	111.5	R130 R134 G153 L154 P155	R130-P137 WeakPolarHBondContact O-CA 3.49Å; R134-P137 WeakPolarHBondContact O-CD 3.47Å; P137-G153 PolarHBondContact O-N 2.89Å; P137-L154 WeakPolarHBondContact CD-O 3.43Å; P137-L154 HydrophobicContact CG-CB 4.01Å; P137-L154 VanDerWaalsContact CG-O 3.25Å; P137-L154 WeakPolarHBondContact CG-O 3.48Å; P137-L154 PolarHBondContact O-N 3.07Å; P137-P155 WeakPolarHBondContact CG-O 3.45Å
138	A	84.8	Confident	80.8	Confident	12 Å²	12	49 Å²	49	10%	0.099	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.3	172.2	0	0	0	0	0	109.8	R130 H151 A152	R130-A138 HydrophobicContact CB-CB 4.19Å; R130-A138 WeakPolarHBondContact CB-O 3.13Å; R130-A138 PolarHBondContact N-O 3.14Å; R130-A138 PolarHBondContact O-N 3.02Å; A138-H151 CarbonylContact C-O 3.14Å; A138-H151 VanDerWaalsContact CA-O 3.23Å; A138-H151 WeakPolarHBondContact CA-O 3.3Å; A138-A152 HydrophobicContact CB-CB 4.14Å
139	L	90	Very high	80.7	Confident	4 Å²	4	50 Å²	50	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	121.4	180	-172.8	71	0	0	0	108.7	V98 V110 L112 L127 R128 L129 Q150 H151 L154	V98-L139 HydrophobicContact CB-CD2 3.8Å; V98-L139 HydrophobicContact CG1-CD2 4.1Å; V98-L139 HydrophobicContact CG2-CD2 3.82Å; V110-L139 HydrophobicContact CB-CD2 4.09Å; V110-L139 HydrophobicContact CG1-CD2 3.92Å; L112-L139 HydrophobicContact CD1-CD2 3.42Å; L112-L139 VanDerWaalsContact CD1-CD2 3.42Å; L112-L139 HydrophobicContact CD1-CG 3.91Å; L112-L139 HydrophobicContact CD2-CD2 4.34Å; L112-L139 HydrophobicContact CG-CD2 4.08Å; L127-L139 HydrophobicContact CD1-CD1 4.42Å; L127-L139 HydrophobicContact CD2-CD1 3.77Å; L127-L139 HydrophobicContact CG-CD1 3.87Å; R128-L139 WeakPolarHBondContact O-CA 3.3Å; L129-L139 HydrophobicContact CD1-CD1 4.44Å; L129-L139 HydrophobicContact CD2-CD1 4.28Å; L129-L139 HydrophobicContact CG-CD1 3.72Å; L139-Q150 CarbonylContact O-C 3.59Å; L139-Q150 VanDerWaalsContact O-CA 3.31Å; L139-Q150 WeakPolarHBondContact O-CA 3.5Å; L139-H151 PolarHBondContact N-O 2.91Å; L139-H151 PolarHBondContact O-N 3.2Å; L139-L154 HydrophobicContact CB-CD1 3.67Å
140	H	90.5	Very high	80.8	Confident	19 Å²	19	54.2 Å²	54.2	9%	0.088	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.2	178.4	-58.6	-160.9	0	0	0	108.9	R128 Y142 L147 Q150	R128-H140 HydrophobicContact CB-CB 4.29Å; R128-H140 PolarHBondContact N-O 3.09Å; R128-H140 PolarHBondContact O-N 2.65Å; H140-Y142 HydrophobicContact CB-CD2 4.45Å; H140-Y142 HydrophobicContact CB-CE2 3.73Å; H140-L147 HydrophobicContact CB-CD1 4.18Å; H140-Q150 HydrophobicContact CB-CB 4.42Å
141	L	91.3	Very high	80.9	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125.2	175.4	177.7	66.5	0	0	0	109.2	V96 L112 Q114 V125 L127 V143 G148 D149	V96-L141 HydrophobicContact CB-CD1 4.38Å; V96-L141 HydrophobicContact CB-CD2 3.98Å; V96-L141 HydrophobicContact CG1-CD1 4.42Å; V96-L141 HydrophobicContact CG2-CD1 4.05Å; V96-L141 HydrophobicContact CG2-CD2 3.7Å; L112-L141 HydrophobicContact CB-CB 4.35Å; L112-L141 HydrophobicContact CB-CD2 3.88Å; L112-L141 HydrophobicContact CD1-CB 3.92Å; L112-L141 HydrophobicContact CD2-CB 4.45Å; L112-L141 HydrophobicContact CG-CB 4.46Å; Q114-L141 HydrophobicContact CB-CD2 3.72Å; Q114-L141 HydrophobicContact CG-CD2 4.26Å; V125-L141 HydrophobicContact CG1-CD1 3.52Å; L127-L141 HydrophobicContact CD1-CD1 4.02Å; L141-V143 HydrophobicContact CD1-CG2 4.14Å; L141-V143 HydrophobicContact CD2-CG2 4.27Å; L141-V143 HydrophobicContact CG-CG2 4Å; L141-G148 PolarHBondContact O-N 2.79Å; L141-D149 PolarHBondContact N-O 3.29Å; L141-D149 PolarHBondContact O-N 3.5Å
142	Y	88.1	Confident	81.3	Confident	8 Å²	8	56 Å²	56	3%	0.031	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135.7	168.6	-58.8	-103.6	0	0	0	109	V125 L126 R128 H140 K146 L147 M195 F206	V125-Y142 WeakPolarHBondContact CA-O 3.48Å; L126-Y142 PolarHBondContact N-O 3.14Å; L126-Y142 PolarHBondContact O-N 2.04Å; R128-Y142 HydrophobicContact CB-CE2 4.46Å; H140-Y142 HydrophobicContact CB-CD2 4.45Å; H140-Y142 HydrophobicContact CB-CE2 3.73Å; Y142-K146 CarbonylContact C-O 3.41Å; Y142-K146 WeakPolarHBondContact CA-O 3.48Å; Y142-K146 WeakPolarHBondContact CB-O 3.03Å; Y142-L147 HydrophobicContact CD1-CB 4Å; Y142-L147 HydrophobicContact CD1-CD1 4.1Å; Y142-L147 HydrophobicContact CD2-CD1 4.37Å; Y142-L147 HydrophobicContact CE1-CB 3.84Å; Y142-L147 HydrophobicContact CE1-CD1 3.67Å; Y142-L147 HydrophobicContact CE1-CG 4.35Å; Y142-L147 HydrophobicContact CE2-CD1 3.97Å; Y142-L147 HydrophobicContact CG-CD1 4.42Å; Y142-M195 HydrophobicContact CD1-CE 4.04Å; Y142-M195 HydrophobicContact CD2-CE 3.79Å; Y142-M195 HydrophobicContact CE1-CE 3.89Å; Y142-M195 HydrophobicContact CE2-CE 3.64Å; Y142-M195 HydrophobicContact CE2-SD 4.46Å; Y142-M195 HydrophobicContact CG-CE 4Å; Y142-F206 HydrophobicContact CD1-CB 4.49Å; Y142-F206 AromaticContact CD1-CD1 3.82Å; Y142-F206 HydrophobicContact CD1-CD1 3.82Å; Y142-F206 AromaticContact CG-CD1 3.92Å; Y142-F206 HydrophobicContact CG-CD1 3.92Å; Y142-F206 HydrophobicContact CG-CE1 4.33Å
143	V	88.6	Confident	81.9	Confident	8 Å²	8	58.5 Å²	58.5	5%	0.048	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	130.2	177.2	178.6	0	0	0	0	107.8	Q114 L117 T124 V125 L141 C145 K146	Q114-V143 HydrophobicContact CG-CB 4.26Å; Q114-V143 HydrophobicContact CG-CG2 3.67Å; L117-V143 HydrophobicContact CD1-CG2 4.29Å; L117-V143 HydrophobicContact CD2-CB 4.36Å; L117-V143 HydrophobicContact CD2-CG1 3.47Å; L117-V143 VanDerWaalsContact CD2-CG1 3.47Å; L117-V143 HydrophobicContact CD2-CG2 3.95Å; L117-V143 HydrophobicContact CG-CG1 4.42Å; L117-V143 HydrophobicContact CG-CG2 4.45Å; T124-V143 WeakPolarHBondContact O-CA 3.4Å; V125-V143 HydrophobicContact CG2-CG2 4.11Å; L141-V143 HydrophobicContact CD1-CG2 4.14Å; L141-V143 HydrophobicContact CD2-CG2 4.27Å; L141-V143 HydrophobicContact CG-CG2 4Å; V143-C145 PolarHBondContact O-N 2.99Å; V143-K146 PolarHBondContact N-O 3.11Å; V143-K146 PolarHBondContact O-N 3.37Å; V143-K146 VanDerWaalsContact O-N 3.09Å
144	D	86.3	Confident	82.9	Confident	68 Å²	68	56 Å²	56	36%	0.364	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.1	47.7	-178.2	-54.4	-31.7	0	0	0	111.7	H123 T124 K146	H123-D144 WeakPolarHBondContact CA-OD1 3.34Å; H123-D144 IonicContact CE1-OD2 3.66Å; H123-D144 IonicContact CG-OD2 2.67Å; H123-D144 IonicContact ND1-OD1 3.26Å; H123-D144 IonicContact ND1-OD2 3.69Å; H123-D144 PolarHBondContact ND1-OD2 3.1Å; T124-D144 PolarHBondContact N-OD1 2.99Å; T124-D144 PolarHBondContact O-N 2.92Å; D144-K146 PolarHBondContact O-N 2.82Å
145	C	80	Confident	83.7	Confident	27 Å²	27	50.6 Å²	50.6	18%	0.182	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	7.8	166.4	-34.6	0	0	0	0	114.2	V143 C204 F206	V143-C145 PolarHBondContact O-N 2.99Å; C145-C204 HydrophobicContact CB-CB 3.59Å; C145-C204 WeakPolarHBondContact CB-SG 3.45Å; C145-C204 WeakPolarHBondContact SG-CB 3.46Å; C145-C204 CovalentContact SG-SG 1.98Å; C145-C204 PolarHBondContact SG-SG 2.99Å; C145-F206 VanDerWaalsContact CA-CD1 3.42Å; C145-F206 HydrophobicContact CB-CD1 4.3Å; C145-F206 HydrophobicContact CB-CE1 4.25Å
146	K	81.9	Confident	84.6	Confident	161 Å²	161	45.7 Å²	45.7	70%	0.7	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	148.4	175.3	-64.4	177.9	-177.1	172.8	0	111	Y142 V143 D144 G148	Y142-K146 CarbonylContact C-O 3.41Å; Y142-K146 WeakPolarHBondContact CA-O 3.48Å; Y142-K146 WeakPolarHBondContact CB-O 3.03Å; V143-K146 PolarHBondContact N-O 3.11Å; V143-K146 PolarHBondContact O-N 3.37Å; V143-K146 VanDerWaalsContact O-N 3.09Å; D144-K146 PolarHBondContact O-N 2.82Å; K146-G148 PolarHBondContact O-N 2.96Å
147	L	84.5	Confident	85.2	Confident	82 Å²	82	43 Å²	43	43%	0.429	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	116.6	170.9	-178.3	69.7	0	0	0	108.3	H140 Y142	H140-L147 HydrophobicContact CB-CD1 4.18Å; Y142-L147 HydrophobicContact CD1-CB 4Å; Y142-L147 HydrophobicContact CD1-CD1 4.1Å; Y142-L147 HydrophobicContact CD2-CD1 4.37Å; Y142-L147 HydrophobicContact CE1-CB 3.84Å; Y142-L147 HydrophobicContact CE1-CD1 3.67Å; Y142-L147 HydrophobicContact CE1-CG 4.35Å; Y142-L147 HydrophobicContact CE2-CD1 3.97Å; Y142-L147 HydrophobicContact CG-CD1 4.42Å
148	G	82.9	Confident	85.3	Confident	32 Å²	32	42.8 Å²	42.8	33%	0.33	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-60.4	177.5	0	0	0	0	0	111.6	L141 K146	L141-G148 PolarHBondContact O-N 2.79Å; K146-G148 PolarHBondContact O-N 2.96Å
149	D	88.3	Confident	85	Confident	36 Å²	36	45.5 Å²	45.5	19%	0.193	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	159.6	-179	-166	9.7	0	0	0	111.4	L112 Q113 L141 H151	L112-D149 WeakPolarHBondContact CA-OD2 3.34Å; L112-D149 HydrophobicContact CB-CB 4.31Å; L112-D149 HydrophobicContact CD2-CB 4.11Å; Q113-D149 PolarHBondContact N-OD2 3.35Å; Q113-D149 WeakPolarHBondContact O-CB 3.5Å; L141-D149 PolarHBondContact N-O 3.29Å; L141-D149 PolarHBondContact O-N 3.5Å; D149-H151 IonicContact OD1-ND1 2.72Å; D149-H151 IonicContact OD2-CE1 3.15Å; D149-H151 IonicContact OD2-ND1 2.66Å
150	Q	89.6	Confident	84.7	Confident	107 Å²	107	45.7 Å²	45.7	50%	0.5	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	140.7	176.6	63.1	179.8	0.8	0	0	112.2	L139 H140	L139-Q150 CarbonylContact O-C 3.59Å; L139-Q150 VanDerWaalsContact O-CA 3.31Å; L139-Q150 WeakPolarHBondContact O-CA 3.5Å; H140-Q150 HydrophobicContact CB-CB 4.42Å
151	H	85.9	Confident	84.3	Confident	76 Å²	76	46.9 Å²	46.9	35%	0.352	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	126.1	174.7	-84.4	63.1	0	0	0	109.8	V110 A138 L139 D149 L154	V110-H151 HydrophobicContact CG1-CB 4.02Å; A138-H151 CarbonylContact C-O 3.14Å; A138-H151 VanDerWaalsContact CA-O 3.23Å; A138-H151 WeakPolarHBondContact CA-O 3.3Å; L139-H151 PolarHBondContact N-O 2.91Å; L139-H151 PolarHBondContact O-N 3.2Å; D149-H151 IonicContact OD1-ND1 2.72Å; D149-H151 IonicContact OD2-CE1 3.15Å; D149-H151 IonicContact OD2-ND1 2.66Å; H151-L154 HydrophobicContact CB-CD2 4.36Å
152	A	84.7	Confident	83.6	Confident	86 Å²	86	51.4 Å²	51.4	71%	0.711	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	156.3	-179.4	0	0	0	0	0	111.4	A138	A138-A152 HydrophobicContact CB-CB 4.14Å
153	G	80.1	Confident	83	Confident	58 Å²	58	55.4 Å²	55.4	60%	0.598	35%	0.348	S	S	*	.	S	Bend	trans	78.2	30.3	177.4	0	0	0	0	0	113.6	P137	P137-G153 PolarHBondContact O-N 2.89Å
154	L	85	Confident	82.4	Confident	18 Å²	18	58.9 Å²	58.9	9%	0.094	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-73	155.3	179.9	-64.3	173.2	0	0	0	111.3	Y100 V110 P137 L139 H151	Y100-L154 WeakPolarHBondContact OH-CB 3.33Å; V110-L154 HydrophobicContact CG1-CD2 4.38Å; V110-L154 HydrophobicContact CG2-CD1 4.07Å; V110-L154 HydrophobicContact CG2-CD2 3.69Å; P137-L154 WeakPolarHBondContact CD-O 3.43Å; P137-L154 HydrophobicContact CG-CB 4.01Å; P137-L154 VanDerWaalsContact CG-O 3.25Å; P137-L154 WeakPolarHBondContact CG-O 3.48Å; P137-L154 PolarHBondContact O-N 3.07Å; L139-L154 HydrophobicContact CB-CD1 3.67Å; H151-L154 HydrophobicContact CB-CD2 4.36Å
155	P	84.3	Confident	82.1	Confident	45 Å²	45	55.9 Å²	55.9	29%	0.292	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-61.1	145.8	171.6	-22.5	33.2	0	0	0	112.1	Y100 R102 P137	Y100-P155 WeakPolarHBondContact CE2-O 3.32Å; Y100-P155 PolarHBondContact OH-O 2.66Å; R102-P155 HydrophobicContact CG-CB 4.08Å; P137-P155 WeakPolarHBondContact CG-O 3.45Å
156	A	79.6	Confident	81.9	Confident	22 Å²	22	60.8 Å²	60.8	18%	0.182	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-59.7	141.1	176.9	0	0	0	0	0	112
157	L	82.1	Confident	81.7	Confident	21 Å²	21	53.8 Å²	53.8	11%	0.11	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-72.4	137.6	176.2	-168.6	78.6	0	0	0	109.8	L50 Y100 P132	L50-L157 HydrophobicContact CD1-CD2 4.08Å; L50-L157 HydrophobicContact CD2-CD2 3.54Å; L50-L157 HydrophobicContact CG-CD2 4.27Å; Y100-L157 HydrophobicContact CD2-CD1 3.2Å; Y100-L157 HydrophobicContact CD2-CG 4.4Å; Y100-L157 HydrophobicContact CE2-CD1 4.03Å; Y100-L157 HydrophobicContact CG-CD1 3.46Å; Y100-L157 VanDerWaalsContact CG-CD1 3.46Å; P132-L157 HydrophobicContact CB-CD2 4.38Å; P132-L157 PolarHBondContact O-N 3.29Å
158	A	82.8	Confident	81.6	Confident	9 Å²	9	50.3 Å²	50.3	7%	0.074	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-62	133.4	175	0	0	0	0	0	111.3	W84 Q101 R102 I160	W84-A158 HydrophobicContact CE3-CB 4.45Å; W84-A158 HydrophobicContact CZ3-CB 3.7Å; Q101-A158 HydrophobicContact CB-CB 4.37Å; Q101-A158 HydrophobicContact CG-CB 4.32Å; Q101-A158 WeakPolarHBondContact O-CB 3.18Å; Q101-A158 PolarHBondContact O-N 3.37Å; R102-A158 WeakPolarHBondContact O-CB 3.47Å; A158-I160 PolarHBondContact O-N 2.96Å
159	P	79	Confident	81.8	Confident	69 Å²	69	51.5 Å²	51.5	45%	0.448	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-71.3	124.8	172	29.4	-32.8	0	0	0	110	L51 P161	L51-P159 HydrophobicContact CD2-CB 3.67Å; P159-P161 WeakPolarHBondContact O-CD 3.5Å
160	I	83.6	Confident	81.8	Confident	7 Å²	7	50.8 Å²	50.8	4%	0.036	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-67.1	123.7	174.7	-58.6	166.1	0	0	0	108.8	R47 L50 L75 W84 A158 V165 L168	R47-I160 WeakPolarHBondContact CD-O 3.25Å; R47-I160 HydrophobicContact CG-CB 4.05Å; R47-I160 HydrophobicContact CG-CG2 4.49Å; L50-I160 HydrophobicContact CD1-CD1 4.05Å; L75-I160 HydrophobicContact CD2-CD1 3.69Å; W84-I160 HydrophobicContact CB-CD1 4.49Å; W84-I160 HydrophobicContact CD2-CD1 4.42Å; W84-I160 HydrophobicContact CD2-CG1 3.73Å; W84-I160 HydrophobicContact CE3-CB 4.48Å; W84-I160 HydrophobicContact CE3-CD1 4.43Å; W84-I160 HydrophobicContact CE3-CG1 3.48Å; W84-I160 VanDerWaalsContact CE3-CG1 3.48Å; W84-I160 HydrophobicContact CG-CD1 4.43Å; W84-I160 HydrophobicContact CG-CG1 4.24Å; W84-I160 HydrophobicContact CH2-CG1 4.46Å; W84-I160 HydrophobicContact CZ3-CB 4.43Å; W84-I160 HydrophobicContact CZ3-CG1 3.85Å; A158-I160 PolarHBondContact O-N 2.96Å; I160-V165 HydrophobicContact CG2-CG2 4.44Å; I160-L168 HydrophobicContact CD1-CD1 4.09Å; I160-L168 HydrophobicContact CG2-CD1 3.86Å
161	P	81.1	Confident	81.7	Confident	45 Å²	45	50.2 Å²	50.2	29%	0.292	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-63.4	142.1	177	-23.1	34.9	0	0	0	112.3	P159 A163 E164	P159-P161 WeakPolarHBondContact O-CD 3.5Å; P161-A163 PolarHBondContact O-N 2.81Å; P161-A163 VanDerWaalsContact O-N 3.1Å; P161-E164 HydrophobicContact CB-CG 4.28Å; P161-E164 HydrophobicContact CG-CG 4.39Å; P161-E164 PolarHBondContact O-N 2.9Å
162	P	76.9	Confident	81.9	Confident	94 Å²	94	48.4 Å²	48.4	61%	0.61	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-57.7	-28.1	178.3	-22.4	31.4	0	0	0	113.9	E164	P162-E164 VanDerWaalsContact C-N 3.27Å; P162-E164 PolarHBondContact O-N 3.36Å
163	A	76.1	Confident	81.9	Confident	92 Å²	92	44.3 Å²	44.3	76%	0.76	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-71.9	-18.6	179.2	0	0	0	0	0	113.6	P161	P161-A163 PolarHBondContact O-N 2.81Å; P161-A163 VanDerWaalsContact O-N 3.1Å
164	E	75.9	Confident	82.2	Confident	82 Å²	82	45 Å²	45	38%	0.383	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-97.1	-7.8	-175.7	-67.2	-179.7	-160.9	0	0	112.9	W84 P161 P162 D166 G167 L168	W84-E164 WeakPolarHBondContact CZ2-OE2 3.45Å; P161-E164 HydrophobicContact CB-CG 4.28Å; P161-E164 HydrophobicContact CG-CG 4.39Å; P161-E164 PolarHBondContact O-N 2.9Å; P162-E164 VanDerWaalsContact C-N 3.27Å; P162-E164 PolarHBondContact O-N 3.36Å; E164-D166 PolarHBondContact O-N 3.41Å; E164-G167 CarbonylContact O-C 3.5Å; E164-G167 WeakPolarHBondContact O-CA 3.38Å; E164-G167 PolarHBondContact O-N 3.41Å; E164-L168 PolarHBondContact O-N 2.72Å
165	V	79.1	Confident	82.2	Confident	4 Å²	4	52 Å²	52	2%	0.024	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-65.4	-40.3	-175	-176.1	0	0	0	0	112.6	A43 E44 I160 G167 L168	A43-V165 HydrophobicContact CB-CG1 4.24Å; E44-V165 HydrophobicContact CB-CG1 3.95Å; E44-V165 WeakPolarHBondContact OE2-CG1 3.32Å; E44-V165 WeakPolarHBondContact OE2-CG2 3.38Å; I160-V165 HydrophobicContact CG2-CG2 4.44Å; V165-G167 PolarHBondContact O-N 2.81Å; V165-L168 PolarHBondContact O-N 2.88Å; V165-L168 VanDerWaalsContact O-N 3.08Å
166	D	76.8	Confident	82.2	Confident	131 Å²	131	51.9 Å²	51.9	70%	0.701	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-64.9	-18.3	176.1	-68.7	-26	0	0	0	112	V40 E164	V40-D166 WeakPolarHBondContact CG1-OD1 3.25Å; E164-D166 PolarHBondContact O-N 3.41Å
167	G	77.4	Confident	82.7	Confident	14 Å²	14	50.9 Å²	50.9	14%	0.144	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-97.3	3.2	175.5	0	0	0	0	0	114.5	R78 E164 V165	R78-G167 WeakPolarHBondContact CB-O 3.35Å; R78-G167 PolarHBondContact N-O 3.3Å; E164-G167 CarbonylContact O-C 3.5Å; E164-G167 WeakPolarHBondContact O-CA 3.38Å; E164-G167 PolarHBondContact O-N 3.41Å; V165-G167 PolarHBondContact O-N 2.81Å
168	L	83.1	Confident	82.8	Confident	9 Å²	9	54.8 Å²	54.8	5%	0.047	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	139.9	-179.6	-72.7	175.5	0	0	0	113	A43 L75 Y76 W84 I160 E164 V165	A43-L168 HydrophobicContact CB-CB 4.09Å; A43-L168 HydrophobicContact CB-CD1 4.23Å; L75-L168 HydrophobicContact CD1-CB 4.37Å; L75-L168 HydrophobicContact CD1-CD1 4.35Å; L75-L168 HydrophobicContact CD2-CD1 4.49Å; L75-L168 HydrophobicContact CG-CD2 4.34Å; Y76-L168 CarbonylContact O-C 3.6Å; Y76-L168 WeakPolarHBondContact O-CA 2.92Å; Y76-L168 WeakPolarHBondContact O-CD2 3.31Å; W84-L168 HydrophobicContact CG-CD2 4.39Å; I160-L168 HydrophobicContact CD1-CD1 4.09Å; I160-L168 HydrophobicContact CG2-CD1 3.86Å; E164-L168 PolarHBondContact O-N 2.72Å; V165-L168 PolarHBondContact O-N 2.88Å; V165-L168 VanDerWaalsContact O-N 3.08Å
169	E	86.1	Confident	83	Confident	56 Å²	56	64.8 Å²	64.8	26%	0.262	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	131.3	175.2	-171.7	-174	-177.8	0	0	110	M39 Y76 R171	M39-E169 HydrophobicContact CE-CG 4.14Å; Y76-E169 PolarHBondContact N-O 2.78Å; Y76-E169 PolarHBondContact O-N 2.97Å; E169-R171 HydrophobicContact CG-CG 4.25Å; E169-R171 IonicContact OE1-NE 2.79Å; E169-R171 PolarHBondContact OE1-NE 3.43Å; E169-R171 IonicContact OE2-CZ 2.78Å; E169-R171 IonicContact OE2-NE 3.15Å; E169-R171 PolarHBondContact OE2-NE 2.99Å; E169-R171 VanDerWaalsContact OE2-NE 3.15Å; E169-R171 IonicContact OE2-NH2 3.79Å; E169-R171 PolarHBondContact OE2-NH2 2.83Å
170	I	88.3	Confident	83.3	Confident	21 Å²	21	63.6 Å²	63.6	11%	0.108	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	122.8	173.3	-60.7	168.7	0	0	0	107.7	L30 M39 V42 I46 F73 L75	L30-I170 HydrophobicContact CD2-CG2 4.39Å; M39-I170 HydrophobicContact CG-CB 4.5Å; M39-I170 HydrophobicContact CG-CD1 4.44Å; V42-I170 HydrophobicContact CB-CD1 4.31Å; V42-I170 HydrophobicContact CG1-CD1 3.66Å; I46-I170 HydrophobicContact CD1-CD1 3.87Å; F73-I170 HydrophobicContact CD2-CG2 4.46Å; F73-I170 HydrophobicContact CE2-CG2 3.77Å; L75-I170 HydrophobicContact CD1-CG1 3.7Å
171	R	88.7	Confident	83.3	Confident	96 Å²	96	71.7 Å²	71.7	36%	0.362	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.5	174.5	-57.8	-176.5	-178.2	156.3	10.3	109.8	G74 Y76 N81 E169	G74-R171 PolarHBondContact N-O 2.98Å; G74-R171 PolarHBondContact O-N 2.87Å; Y76-R171 HydrophobicContact CD2-CB 4.15Å; Y76-R171 HydrophobicContact CD2-CG 3.83Å; Y76-R171 HydrophobicContact CE2-CB 3.9Å; Y76-R171 HydrophobicContact CE2-CG 4.03Å; N81-R171 PolarHBondContact OD1-NH1 2.84Å; N81-R171 PolarHBondContact OD1-NH2 2.85Å; N81-R171 VanDerWaalsContact OD1-NH2 3.16Å; E169-R171 HydrophobicContact CG-CG 4.25Å; E169-R171 IonicContact OE1-NE 2.79Å; E169-R171 PolarHBondContact OE1-NE 3.43Å; E169-R171 IonicContact OE2-CZ 2.78Å; E169-R171 IonicContact OE2-NE 3.15Å; E169-R171 PolarHBondContact OE2-NE 2.99Å; E169-R171 VanDerWaalsContact OE2-NE 3.15Å; E169-R171 IonicContact OE2-NH2 3.79Å; E169-R171 PolarHBondContact OE2-NH2 2.83Å
172	T	89.6	Confident	83.6	Confident	37 Å²	37	69.7 Å²	69.7	23%	0.227	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	154.7	174.5	64.4	0	0	0	0	109.9	L30 L31 Q174 M187	L30-T172 HydrophobicContact CB-CG2 4Å; L31-T172 HydrophobicContact CD2-CG2 4.38Å; T172-Q174 PolarHBondContact O-N 3.24Å; T172-Q174 VanDerWaalsContact O-N 3.1Å; T172-M187 HydrophobicContact CG2-CG 4.39Å
173	G	84.9	Confident	84.2	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.01	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-4.2	176.8	0	0	0	0	0	114.8	V71 L72 K175 A176 Y177	V71-G173 WeakPolarHBondContact O-CA 3.46Å; L72-G173 PolarHBondContact O-N 3.42Å; G173-K175 PolarHBondContact O-N 2.92Å; G173-A176 PolarHBondContact O-N 2.8Å; G173-Y177 VanDerWaalsContact O-CB 3.31Å; G173-Y177 WeakPolarHBondContact O-CB 3.38Å; G173-Y177 VanDerWaalsContact O-CD1 3.28Å; G173-Y177 WeakPolarHBondContact O-CD1 3.31Å; G173-Y177 PolarHBondContact O-N 3.33Å
174	Q	86.6	Confident	84.9	Confident	73 Å²	73	64.8 Å²	64.8	34%	0.341	31%	0.309	S	S	.	.	H	α-helix	trans	-54.2	-53	-170.8	-170.9	-179.3	14.1	0	0	113.2	L31 T172 L178	L31-Q174 HydrophobicContact CD2-CB 4.11Å; L31-Q174 HydrophobicContact CD2-CG 4.43Å; T172-Q174 PolarHBondContact O-N 3.24Å; T172-Q174 VanDerWaalsContact O-N 3.1Å; Q174-L178 HydrophobicContact CG-CD1 4.21Å; Q174-L178 WeakPolarHBondContact O-CB 3.47Å; Q174-L178 WeakPolarHBondContact O-CD1 3.29Å; Q174-L178 WeakPolarHBondContact O-CG 3.44Å; Q174-L178 PolarHBondContact O-N 2.96Å; Q174-L178 VanDerWaalsContact O-N 3.13Å
175	K	84.8	Confident	85.5	Confident	165 Å²	165	66.7 Å²	66.7	72%	0.717	32%	0.318	S	S	*	.	H	α-helix	trans	-68.8	-38.3	179.5	-68.6	-174.6	179.2	-177.2	0	112.6	G173 R179	G173-K175 PolarHBondContact O-N 2.92Å; K175-R179 WeakPolarHBondContact O-CG 3.37Å; K175-R179 PolarHBondContact O-N 2.84Å
176	A	84.4	Confident	86	Confident	42 Å²	42	67.6 Å²	67.6	35%	0.347	33%	0.325	S	S	.	.	H	α-helix	trans	-68.9	-42.9	-179	0	0	0	0	0	111.3	G173 R179 M180	G173-A176 PolarHBondContact O-N 2.8Å; A176-R179 PolarHBondContact O-N 3.44Å; A176-M180 WeakPolarHBondContact O-CE 3.3Å; A176-M180 WeakPolarHBondContact O-CG 3.3Å; A176-M180 PolarHBondContact O-N 2.96Å
177	Y	89.4	Confident	86.7	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-71.7	-36.4	-177.8	-74	29.1	0	0	0	110	F62 L64 G70 L72 G173 R179 M180 Q181 G182 V184	F62-Y177 HydrophobicContact CB-CD2 4.28Å; F62-Y177 HydrophobicContact CB-CE2 4.23Å; F62-Y177 HydrophobicContact CD2-CD2 4.27Å; F62-Y177 AromaticContact CD2-CE2 3.64Å; F62-Y177 HydrophobicContact CD2-CE2 3.64Å; F62-Y177 HydrophobicContact CE2-CE2 4.21Å; F62-Y177 AromaticContact CG-CE2 3.98Å; F62-Y177 HydrophobicContact CG-CE2 3.98Å; L64-Y177 HydrophobicContact CD1-CD2 4.48Å; L64-Y177 HydrophobicContact CD1-CE2 3.68Å; L64-Y177 HydrophobicContact CD2-CD1 3.99Å; L64-Y177 HydrophobicContact CD2-CD2 3.39Å; L64-Y177 HydrophobicContact CD2-CE1 4Å; L64-Y177 HydrophobicContact CD2-CE2 3.4Å; L64-Y177 VanDerWaalsContact CD2-CE2 3.4Å; L64-Y177 HydrophobicContact CD2-CG 3.7Å; L64-Y177 HydrophobicContact CG-CD2 3.78Å; L64-Y177 HydrophobicContact CG-CE2 3.45Å; L64-Y177 VanDerWaalsContact CG-CE2 3.45Å; G70-Y177 PolarHBondContact O-OH 2.64Å; L72-Y177 HydrophobicContact CD1-CE2 3.92Å; G173-Y177 VanDerWaalsContact O-CB 3.31Å; G173-Y177 WeakPolarHBondContact O-CB 3.38Å; G173-Y177 VanDerWaalsContact O-CD1 3.28Å; G173-Y177 WeakPolarHBondContact O-CD1 3.31Å; G173-Y177 PolarHBondContact O-N 3.33Å; Y177-R179 PolarHBondContact O-N 2.73Å; Y177-M180 HydrophobicContact CD1-CE 3.66Å; Y177-M180 HydrophobicContact CE1-CE 4.12Å; Y177-M180 HydrophobicContact CG-CE 4.36Å; Y177-M180 CarbonylContact O-C 3.54Å; Y177-M180 WeakPolarHBondContact O-CA 3.32Å; Y177-M180 WeakPolarHBondContact O-CB 3.26Å; Y177-M180 PolarHBondContact O-N 2.92Å; Y177-M180 VanDerWaalsContact O-N 3.09Å; Y177-Q181 PolarHBondContact O-N 2.87Å; Y177-G182 CarbonylContact C-O 3.47Å; Y177-G182 VanDerWaalsContact C-O 3.31Å; Y177-G182 CarbonylContact O-C 3.5Å; Y177-G182 VanDerWaalsContact O-C 3.31Å; Y177-G182 VanDerWaalsContact O-CA 3.27Å; Y177-G182 WeakPolarHBondContact O-CA 3.46Å; Y177-G182 PolarHBondContact O-N 3.18Å; Y177-V184 HydrophobicContact CD2-CG2 3.66Å; Y177-V184 HydrophobicContact CE2-CG2 4.23Å; Y177-V184 HydrophobicContact CG-CG2 3.99Å
178	L	85.1	Confident	87.3	Confident	104 Å²	104	63.1 Å²	63.1	55%	0.545	30%	0.295	S	S	.	.	H	α-helix	trans	-60.6	-41.8	172.8	-77.3	167.1	0	0	0	113.2	Q174 M180 Q181 G182 F183	Q174-L178 HydrophobicContact CG-CD1 4.21Å; Q174-L178 WeakPolarHBondContact O-CB 3.47Å; Q174-L178 WeakPolarHBondContact O-CD1 3.29Å; Q174-L178 WeakPolarHBondContact O-CG 3.44Å; Q174-L178 PolarHBondContact O-N 2.96Å; Q174-L178 VanDerWaalsContact O-N 3.13Å; L178-M180 PolarHBondContact O-N 2.9Å; L178-Q181 PolarHBondContact O-N 3.06Å; L178-Q181 VanDerWaalsContact O-N 3.14Å; L178-G182 WeakPolarHBondContact CA-O 3.39Å; L178-G182 PolarHBondContact N-O 2.89Å; L178-F183 HydrophobicContact CD2-CB 4.45Å
179	R	87.2	Confident	87.6	Confident	218 Å²	218	62.9 Å²	62.9	82%	0.823	29%	0.294	S	S	*	.	H	α-helix	trans	-62.5	-29.3	174.4	-72.4	177.1	-177.5	179	-2.3	112.5	K175 A176 Y177 Q181	K175-R179 WeakPolarHBondContact O-CG 3.37Å; K175-R179 PolarHBondContact O-N 2.84Å; A176-R179 PolarHBondContact O-N 3.44Å; Y177-R179 PolarHBondContact O-N 2.73Å; R179-Q181 VanDerWaalsContact C-N 3.31Å
180	M	84.4	Confident	87.8	Confident	44 Å²	44	60.2 Å²	60.2	22%	0.217	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	17.1	177.7	-73.1	-173.5	-59.3	0	0	112.7	L64 P65 A176 Y177 L178 G182	L64-M180 HydrophobicContact CD2-CE 4.21Å; P65-M180 WeakPolarHBondContact CG-O 3.19Å; A176-M180 WeakPolarHBondContact O-CE 3.3Å; A176-M180 WeakPolarHBondContact O-CG 3.3Å; A176-M180 PolarHBondContact O-N 2.96Å; Y177-M180 HydrophobicContact CD1-CE 3.66Å; Y177-M180 HydrophobicContact CE1-CE 4.12Å; Y177-M180 HydrophobicContact CG-CE 4.36Å; Y177-M180 CarbonylContact O-C 3.54Å; Y177-M180 WeakPolarHBondContact O-CA 3.32Å; Y177-M180 WeakPolarHBondContact O-CB 3.26Å; Y177-M180 PolarHBondContact O-N 2.92Å; Y177-M180 VanDerWaalsContact O-N 3.09Å; L178-M180 PolarHBondContact O-N 2.9Å; M180-G182 PolarHBondContact O-N 3.45Å
181	Q	82.7	Confident	87.6	Confident	177 Å²	177	59.8 Å²	59.8	83%	0.827	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	13.9	-174.7	-53.8	-179.6	-2.9	0	0	115.2	Y177 L178 R179	Y177-Q181 PolarHBondContact O-N 2.87Å; L178-Q181 PolarHBondContact O-N 3.06Å; L178-Q181 VanDerWaalsContact O-N 3.14Å; R179-Q181 VanDerWaalsContact C-N 3.31Å
182	G	87.4	Confident	87	Confident	3 Å²	3	55.5 Å²	55.5	3%	0.031	27%	0.265	C	S	.	.			trans	-95.4	-177.6	167.2	0	0	0	0	0	111.6	R63 Y177 L178 M180	R63-G182 CarbonylContact O-C 3.56Å; R63-G182 WeakPolarHBondContact O-CA 3.29Å; Y177-G182 CarbonylContact C-O 3.47Å; Y177-G182 VanDerWaalsContact C-O 3.31Å; Y177-G182 CarbonylContact O-C 3.5Å; Y177-G182 VanDerWaalsContact O-C 3.31Å; Y177-G182 VanDerWaalsContact O-CA 3.27Å; Y177-G182 WeakPolarHBondContact O-CA 3.46Å; Y177-G182 PolarHBondContact O-N 3.18Å; L178-G182 WeakPolarHBondContact CA-O 3.39Å; L178-G182 PolarHBondContact N-O 2.89Å; M180-G182 PolarHBondContact O-N 3.45Å
183	F	90.1	Very high	86.2	Confident	73 Å²	73	54.4 Å²	54.4	32%	0.32	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	153.3	171.3	60.7	-92.4	0	0	0	111.7	F62 R63 L178 E185	F62-F183 CarbonylContact C-O 3.55Å; F62-F183 VanDerWaalsContact CA-O 3.22Å; F62-F183 WeakPolarHBondContact CA-O 3.23Å; F62-F183 WeakPolarHBondContact CB-O 3.43Å; R63-F183 HydrophobicContact CB-CD1 4.01Å; R63-F183 HydrophobicContact CB-CE1 3.68Å; R63-F183 HydrophobicContact CB-CE2 4.29Å; R63-F183 HydrophobicContact CB-CG 4.46Å; R63-F183 HydrophobicContact CB-CZ 3.82Å; R63-F183 VanDerWaalsContact CD-CE1 3.43Å; R63-F183 HydrophobicContact CG-CE1 4.18Å; R63-F183 PolarHBondContact N-O 2.84Å; R63-F183 PolarHBondContact O-N 2.88Å; L178-F183 HydrophobicContact CD2-CB 4.45Å; F183-E185 HydrophobicContact CD2-CB 4.1Å; F183-E185 HydrophobicContact CE2-CB 4.01Å
184	V	91.1	Very high	85.8	Confident	10 Å²	10	57 Å²	57	6%	0.061	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	107.8	167.9	-177.2	0	0	0	0	107	L31 F62 L72 Y177 M187	L31-V184 HydrophobicContact CD1-CG1 4.39Å; L31-V184 HydrophobicContact CD2-CG1 4.45Å; F62-V184 HydrophobicContact CB-CB 4.4Å; F62-V184 HydrophobicContact CB-CG1 4.45Å; F62-V184 HydrophobicContact CB-CG2 4.1Å; L72-V184 HydrophobicContact CD1-CG2 4.26Å; Y177-V184 HydrophobicContact CD2-CG2 3.66Å; Y177-V184 HydrophobicContact CE2-CG2 4.23Å; Y177-V184 HydrophobicContact CG-CG2 3.99Å; V184-M187 HydrophobicContact CG1-CB 4.09Å
185	E	88.8	Confident	85.2	Confident	123 Å²	123	53.9 Å²	53.9	58%	0.575	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	-41.6	-178.2	-173.2	-179.1	-174.1	0	0	111.4	T61 F183	T61-E185 HydrophobicContact CG2-CB 4.33Å; T61-E185 VanDerWaalsContact CG2-OE2 3.26Å; T61-E185 WeakPolarHBondContact CG2-OE2 3.19Å; T61-E185 WeakPolarHBondContact O-CB 3.43Å; T61-E185 PolarHBondContact O-N 2.88Å; F183-E185 HydrophobicContact CD2-CB 4.1Å; F183-E185 HydrophobicContact CE2-CB 4.01Å
186	S	90	Very high	84.4	Confident	23 Å²	23	49 Å²	49	16%	0.161	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	146.5	176	75.2	0	0	0	0	111.7	S60 T61	S60-S186 WeakPolarHBondContact CA-O 3.45Å; S60-S186 PolarHBondContact OG-O 2.95Å; T61-S186 PolarHBondContact N-O 3.16Å; T61-S186 PolarHBondContact O-N 3.18Å
187	M	90.8	Very high	84	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	110.1	176.5	-173	48.9	157.9	0	0	111.1	L30 L31 L58 S60 L72 F73 T172 V184	L30-M187 HydrophobicContact CB-CB 4.48Å; L30-M187 HydrophobicContact CB-CG 4.13Å; L30-M187 HydrophobicContact CD1-CG 4.08Å; L30-M187 PolarHBondContact N-O 3.4Å; L31-M187 HydrophobicContact CD1-CB 4.37Å; L31-M187 HydrophobicContact CD2-CB 3.77Å; L31-M187 HydrophobicContact CG-CB 3.82Å; L58-M187 HydrophobicContact CD1-CE 3.48Å; L58-M187 VanDerWaalsContact CD1-CE 3.48Å; L58-M187 HydrophobicContact CD1-SD 4.13Å; L58-M187 HydrophobicContact CD2-CE 3.94Å; L58-M187 HydrophobicContact CG-CE 3.77Å; L58-M187 HydrophobicContact CG-SD 4.39Å; S60-M187 WeakPolarHBondContact CB-SD 3.4Å; L72-M187 HydrophobicContact CG-CE 4.13Å; F73-M187 HydrophobicContact CB-CE 3.43Å; F73-M187 VanDerWaalsContact CB-CE 3.43Å; F73-M187 HydrophobicContact CD2-CE 3.96Å; F73-M187 HydrophobicContact CG-CE 4.03Å; T172-M187 HydrophobicContact CG2-CG 4.39Å; V184-M187 HydrophobicContact CG1-CB 4.09Å
188	K	90.1	Very high	83.3	Confident	50 Å²	50	53 Å²	53	22%	0.217	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134.1	-173.5	-63.6	173	-173.8	168.2	0	110.4	V27 I28 D29 L59	V27-K188 HydrophobicContact CG1-CB 4.38Å; V27-K188 HydrophobicContact CG1-CD 4.11Å; V27-K188 HydrophobicContact CG1-CG 4.45Å; I28-K188 CarbonylContact O-C 3.56Å; I28-K188 VanDerWaalsContact O-CA 3.29Å; I28-K188 WeakPolarHBondContact O-CA 3.33Å; D29-K188 HydrophobicContact CB-CG 4.43Å; L59-K188 PolarHBondContact N-O 2.94Å; L59-K188 PolarHBondContact O-N 2.8Å
189	I	90	Very high	82.5	Confident	5 Å²	5	48 Å²	48	3%	0.026	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130.4	165.2	-167	167.1	0	0	0	109	I28 L30 I46 I56 Y57 L58 F73 L191	I28-I189 HydrophobicContact CB-CG2 3.78Å; I28-I189 HydrophobicContact CD1-CG2 4.33Å; I28-I189 HydrophobicContact CG1-CG2 4.49Å; I28-I189 HydrophobicContact CG2-CG2 4.31Å; I28-I189 PolarHBondContact N-O 3.04Å; I28-I189 PolarHBondContact O-N 3.26Å; L30-I189 HydrophobicContact CD1-CB 4.14Å; L30-I189 HydrophobicContact CD1-CG2 4.15Å; L30-I189 HydrophobicContact CD2-CG2 3.96Å; L30-I189 HydrophobicContact CG-CG2 4.14Å; I46-I189 HydrophobicContact CD1-CD1 3.99Å; I46-I189 HydrophobicContact CD1-CG2 4.37Å; I46-I189 HydrophobicContact CG1-CD1 4.06Å; I46-I189 HydrophobicContact CG2-CD1 4.44Å; I56-I189 HydrophobicContact CG2-CD1 4.21Å; I56-I189 HydrophobicContact CG2-CG1 4.16Å; Y57-I189 WeakPolarHBondContact O-CA 3.44Å; L58-I189 HydrophobicContact CD1-CB 4.47Å; F73-I189 HydrophobicContact CZ-CD1 4.44Å; I189-L191 HydrophobicContact CD1-CD2 4.34Å; I189-L191 HydrophobicContact CG1-CD2 4.07Å
190	I	88.5	Confident	81.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.2	-175.3	-52.7	156.2	0	0	0	108.2	L25 Q26 V27 Y57 L59 V198 L201	L25-I190 HydrophobicContact CD1-CG2 3.74Å; L25-I190 HydrophobicContact CG-CG2 3.93Å; Q26-I190 WeakPolarHBondContact O-CA 3.34Å; V27-I190 HydrophobicContact CG1-CG1 4.2Å; V27-I190 HydrophobicContact CG2-CG1 4.31Å; V27-I190 HydrophobicContact CG2-CG2 4.32Å; Y57-I190 PolarHBondContact N-O 3.08Å; Y57-I190 PolarHBondContact O-N 2.93Å; L59-I190 HydrophobicContact CB-CD1 4.29Å; L59-I190 HydrophobicContact CD2-CD1 4.36Å; I190-V198 HydrophobicContact CD1-CG1 3.71Å; I190-V198 HydrophobicContact CD1-CG2 4.38Å; I190-V198 HydrophobicContact CG2-CG2 4.14Å; I190-L201 HydrophobicContact CD1-CD1 3.7Å; I190-L201 HydrophobicContact CG1-CD1 4.28Å
191	L	85.9	Confident	81.1	Confident	12 Å²	12	42.6 Å²	42.6	6%	0.063	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	111	-175.1	-48.8	177.3	0	0	0	108.4	Q26 I28 K45 A49 I56 I189	Q26-L191 HydrophobicContact CB-CB 4.39Å; Q26-L191 PolarHBondContact N-O 2.86Å; Q26-L191 PolarHBondContact O-N 3.33Å; I28-L191 HydrophobicContact CD1-CD1 3.9Å; K45-L191 HydrophobicContact CB-CD1 4.17Å; A49-L191 HydrophobicContact CB-CB 4.07Å; A49-L191 HydrophobicContact CB-CD1 3.89Å; A49-L191 HydrophobicContact CB-CD2 3.67Å; A49-L191 HydrophobicContact CB-CG 4.06Å; I56-L191 HydrophobicContact CG2-CD2 4.18Å; I189-L191 HydrophobicContact CD1-CD2 4.34Å; I189-L191 HydrophobicContact CG1-CD2 4.07Å
192	G	74.4	Confident	80.3	Confident	6 Å²	6	35.1 Å²	35.1	6%	0.062	20%	0.202	C	C	.	.	S	Bend	trans	76.2	-179.1	-178.6	0	0	0	0	0	115	D55	D55-G192 PolarHBondContact O-N 2.86Å
193	G	73.9	Confident	79	Confident	14 Å²	14	44.3 Å²	44.3	14%	0.144	24%	0.244	C	C	.	.			trans	95.6	172.3	-176.6	0	0	0	0	0	114.2
194	S	75.4	Confident	77.5	Confident	55 Å²	55	42.3 Å²	42.3	39%	0.385	24%	0.239	S	C	.	.			trans	-92.5	154.2	176.8	65.8	0	0	0	0	111.4	A196 R197 V198	S194-A196 PolarHBondContact O-N 2.93Å; S194-A196 VanDerWaalsContact O-N 3.14Å; S194-R197 PolarHBondContact O-N 2.86Å; S194-V198 PolarHBondContact O-N 3.45Å; S194-V198 VanDerWaalsContact O-N 3.13Å
195	M	74.2	Confident	75.9	Confident	8 Å²	8	47.2 Å²	47.2	4%	0.039	27%	0.271	C	S	.	.	H	α-helix	trans	-51.9	-38	177.1	-169	66.6	-174.7	0	0	112.6	Y57 L126 Y142 R197 V198 G199 F206	Y57-M195 HydrophobicContact CD1-SD 4.33Å; Y57-M195 HydrophobicContact CE1-SD 3.69Å; L126-M195 HydrophobicContact CD2-CE 3.25Å; L126-M195 HydrophobicContact CD2-SD 4.02Å; L126-M195 HydrophobicContact CG-CE 4.39Å; Y142-M195 HydrophobicContact CD1-CE 4.04Å; Y142-M195 HydrophobicContact CD2-CE 3.79Å; Y142-M195 HydrophobicContact CE1-CE 3.89Å; Y142-M195 HydrophobicContact CE2-CE 3.64Å; Y142-M195 HydrophobicContact CE2-SD 4.46Å; Y142-M195 HydrophobicContact CG-CE 4Å; M195-R197 VanDerWaalsContact C-N 3.35Å; M195-R197 PolarHBondContact O-N 3.16Å; M195-V198 PolarHBondContact O-N 3.22Å; M195-G199 PolarHBondContact O-N 2.97Å; M195-F206 HydrophobicContact CE-CB 3.39Å; M195-F206 HydrophobicContact CE-CD1 4.05Å; M195-F206 HydrophobicContact CE-CD2 4.01Å; M195-F206 HydrophobicContact CE-CG 3.58Å; M195-F206 HydrophobicContact CG-CB 4.46Å
196	A	68.4	Low	74.6	Confident	61 Å²	61	42 Å²	42	50%	0.504	25%	0.246	S	C	.	.	H	α-helix	trans	-63.3	-35.9	177.5	0	0	0	0	0	113.4	S194 A200	S194-A196 PolarHBondContact O-N 2.93Å; S194-A196 VanDerWaalsContact O-N 3.14Å; A196-A200 PolarHBondContact O-N 3.35Å
197	R	75.1	Confident	72.8	Confident	126 Å²	126	49.9 Å²	49.9	48%	0.475	28%	0.28	S	S	.	.	H	α-helix	trans	-77	-33.2	176.8	-67.7	-177	80.4	-178.4	6.2	112	L25 S194 M195	L25-R197 HydrophobicContact CD1-CB 4.09Å; S194-R197 PolarHBondContact O-N 2.86Å; M195-R197 VanDerWaalsContact C-N 3.35Å; M195-R197 PolarHBondContact O-N 3.16Å
198	V	75.6	Confident	70.4	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-68.5	-43.3	175	173.9	0	0	0	0	110.8	L25 Y57 L126 I190 S194 M195 A200 L201	L25-V198 HydrophobicContact CD1-CG2 4.02Å; Y57-V198 HydrophobicContact CD1-CG1 4.12Å; Y57-V198 HydrophobicContact CD1-CG2 4.28Å; Y57-V198 HydrophobicContact CD2-CG2 3.75Å; Y57-V198 HydrophobicContact CE1-CG2 4.37Å; Y57-V198 HydrophobicContact CE2-CG2 3.88Å; Y57-V198 HydrophobicContact CG-CG1 4.11Å; Y57-V198 HydrophobicContact CG-CG2 3.97Å; L126-V198 HydrophobicContact CD1-CG1 3.82Å; L126-V198 HydrophobicContact CD2-CG1 3.99Å; I190-V198 HydrophobicContact CD1-CG1 3.71Å; I190-V198 HydrophobicContact CD1-CG2 4.38Å; I190-V198 HydrophobicContact CG2-CG2 4.14Å; S194-V198 PolarHBondContact O-N 3.45Å; S194-V198 VanDerWaalsContact O-N 3.13Å; M195-V198 PolarHBondContact O-N 3.22Å; V198-A200 VanDerWaalsContact C-N 3.28Å; V198-A200 PolarHBondContact O-N 2.65Å; V198-L201 WeakPolarHBondContact O-CB 3.4Å; V198-L201 PolarHBondContact O-N 2.69Å
199	G	68.7	Low	67.7	Low	1 Å²	1	54.4 Å²	54.4	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-60.5	-35.2	176.4	0	0	0	0	0	114.2	M195 L201 S202 C204	M195-G199 PolarHBondContact O-N 2.97Å; G199-L201 PolarHBondContact O-N 3.01Å; G199-L201 VanDerWaalsContact O-N 3.1Å; G199-S202 PolarHBondContact O-N 3.31Å; G199-S202 VanDerWaalsContact O-N 3.08Å; G199-S202 PolarHBondContact O-OG 2.61Å; G199-C204 CarbonylContact C-O 3.52Å; G199-C204 VanDerWaalsContact C-O 3.28Å; G199-C204 WeakPolarHBondContact CA-O 3.43Å; G199-C204 PolarHBondContact O-N 3.28Å
200	A	70.1	Confident	65.3	Low	81 Å²	81	63.9 Å²	63.9	67%	0.669	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-60.9	-18.3	175.2	0	0	0	0	0	114.3	A196 V198	A196-A200 PolarHBondContact O-N 3.35Å; V198-A200 VanDerWaalsContact C-N 3.28Å; V198-A200 PolarHBondContact O-N 2.65Å
201	L	71.4	Confident	62.9	Low	66 Å²	66	68.3 Å²	68.3	35%	0.346	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-83.8	-8.8	177	-65.9	172	0	0	0	114.3	L25 V27 L59 I190 V198 G199	L25-L201 HydrophobicContact CD2-CD1 3.97Å; V27-L201 HydrophobicContact CG1-CD1 4.33Å; V27-L201 HydrophobicContact CG2-CD1 3.57Å; L59-L201 HydrophobicContact CD2-CB 4.39Å; I190-L201 HydrophobicContact CD1-CD1 3.7Å; I190-L201 HydrophobicContact CG1-CD1 4.28Å; V198-L201 WeakPolarHBondContact O-CB 3.4Å; V198-L201 PolarHBondContact O-N 2.69Å; G199-L201 PolarHBondContact O-N 3.01Å; G199-L201 VanDerWaalsContact O-N 3.1Å
202	S	65.7	Low	60.4	Low	21 Å²	21	72.9 Å²	72.9	15%	0.147	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-121.7	17.5	-173.6	55.5	0	0	0	0	113.3	G199 C204 F206	G199-S202 PolarHBondContact O-N 3.31Å; G199-S202 VanDerWaalsContact O-N 3.08Å; G199-S202 PolarHBondContact O-OG 2.61Å; S202-C204 WeakPolarHBondContact O-CB 3.24Å; S202-C204 PolarHBondContact O-N 3.07Å; S202-F206 VanDerWaalsContact OG-CE2 3.24Å; S202-F206 WeakPolarHBondContact OG-CE2 3.41Å
203	E	60.4	Low	58.5	Low	195 Å²	195	81.7 Å²	81.7	91%	0.911	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	20	-174.5	-59.6	-167.7	164.7	0	0	114.8
204	C	58.8	Low	56.6	Low	32 Å²	32	85.7 Å²	85.7	22%	0.216	48%	0.476	C	S	.	.			trans	-134.6	123.1	-169.1	-108.5	0	0	0	0	113.8	C145 G199 S202 F206	C145-C204 HydrophobicContact CB-CB 3.59Å; C145-C204 WeakPolarHBondContact CB-SG 3.45Å; C145-C204 WeakPolarHBondContact SG-CB 3.46Å; C145-C204 CovalentContact SG-SG 1.98Å; C145-C204 PolarHBondContact SG-SG 2.99Å; G199-C204 CarbonylContact C-O 3.52Å; G199-C204 VanDerWaalsContact C-O 3.28Å; G199-C204 WeakPolarHBondContact CA-O 3.43Å; G199-C204 PolarHBondContact O-N 3.28Å; S202-C204 WeakPolarHBondContact O-CB 3.24Å; S202-C204 PolarHBondContact O-N 3.07Å; C204-F206 HydrophobicContact CB-CE2 4.41Å; C204-F206 PolarHBondContact O-N 3.2Å; C204-F206 VanDerWaalsContact O-N 3.1Å
205	P	58.1	Low	54.8	Low	113 Å²	113	86.1 Å²	86.1	73%	0.734	48%	0.483	S	S	*	.			trans	-84.8	84.5	179.5	33.2	-31.7	0	0	0	110.6	Q207	P205-Q207 PolarHBondContact O-N 3.37Å; P205-Q207 VanDerWaalsContact O-N 3.09Å
206	F	60.4	Low	53	Low	14 Å²	14	90.5 Å²	90.5	6%	0.061	51%	0.51	C	S	.	.			trans	-59.1	114.8	173.3	-61.1	-88	0	0	0	110.4	L126 Y142 C145 M195 S202 C204 G208	L126-F206 HydrophobicContact CB-CE1 4.06Å; L126-F206 HydrophobicContact CB-CE2 4.44Å; L126-F206 HydrophobicContact CB-CZ 3.83Å; L126-F206 HydrophobicContact CD2-CD1 4.25Å; L126-F206 HydrophobicContact CD2-CD2 3.78Å; L126-F206 HydrophobicContact CD2-CE1 4.05Å; L126-F206 HydrophobicContact CD2-CE2 3.54Å; L126-F206 HydrophobicContact CD2-CG 4.16Å; L126-F206 HydrophobicContact CD2-CZ 3.72Å; L126-F206 HydrophobicContact CG-CZ 4.44Å; Y142-F206 HydrophobicContact CD1-CB 4.49Å; Y142-F206 AromaticContact CD1-CD1 3.82Å; Y142-F206 HydrophobicContact CD1-CD1 3.82Å; Y142-F206 AromaticContact CG-CD1 3.92Å; Y142-F206 HydrophobicContact CG-CD1 3.92Å; Y142-F206 HydrophobicContact CG-CE1 4.33Å; C145-F206 VanDerWaalsContact CA-CD1 3.42Å; C145-F206 HydrophobicContact CB-CD1 4.3Å; C145-F206 HydrophobicContact CB-CE1 4.25Å; M195-F206 HydrophobicContact CE-CB 3.39Å; M195-F206 HydrophobicContact CE-CD1 4.05Å; M195-F206 HydrophobicContact CE-CD2 4.01Å; M195-F206 HydrophobicContact CE-CG 3.58Å; M195-F206 HydrophobicContact CG-CB 4.46Å; S202-F206 VanDerWaalsContact OG-CE2 3.24Å; S202-F206 WeakPolarHBondContact OG-CE2 3.41Å; C204-F206 HydrophobicContact CB-CE2 4.41Å; C204-F206 PolarHBondContact O-N 3.2Å; C204-F206 VanDerWaalsContact O-N 3.1Å; F206-G208 PolarHBondContact O-N 3.2Å
207	Q	53.8	Low	51.4	Low	187 Å²	187	92 Å²	92	87%	0.874	51%	0.513	S	S	*	.			trans	-74.6	107.5	175.1	-79.3	-179.7	-18.8	0	0	109.5	P205	P205-Q207 PolarHBondContact O-N 3.37Å; P205-Q207 VanDerWaalsContact O-N 3.09Å
208	G	40.1	Very low	49.5	Very low	26 Å²	26	92.8 Å²	92.8	27%	0.268	53%	0.527	S	S	.	.			trans	-174.9	57	-177.5	0	0	0	0	0	114.8	F206	F206-G208 PolarHBondContact O-N 3.2Å
209	D	32	Very low	47.7	Very low	120 Å²	120	96 Å²	96	64%	0.642	55%	0.553	S	S	*	*			trans	177.2	128.1	140.3	-101	-32.8	0	0	0	107.4	S211	D209-S211 PolarHBondContact O-N 3.32Å
210	E	40.5	Very low	45.9	Very low	203 Å²	203	103.1 Å²	103.1	95%	0.949	59%	0.59	S	S	*	*	S	Bend	trans	-63.3	84.5	169.2	-81.9	-161.9	151.7	0	0	109.6
211	S	38.5	Very low	44.4	Very low	94 Å²	94	107.5 Å²	107.5	66%	0.657	60%	0.597	S	S	*	*			trans	174.4	89.7	155	43.6	0	0	0	0	107.9	D209	D209-S211 PolarHBondContact O-N 3.32Å
212	I	33.5	Very low	43	Very low	107 Å²	107	109.1 Å²	109.1	55%	0.549	61%	0.614	S	S	.	*			trans	-178.3	72.3	141.4	-81.5	143.1	0	0	0	104.4	A215	I212-A215 HydrophobicContact CG2-CB 3.87Å
213	H	34.4	Very low	42.1	Very low	192 Å²	192	114.7 Å²	114.7	89%	0.889	64%	0.64	S	S	*	*	S	Bend	trans	-98.7	16.9	161.8	-123.1	-38.2	0	0	0	111.6
214	S	33.9	Very low	41	Very low	97 Å²	97	113.6 Å²	113.6	68%	0.678	64%	0.64	S	S	*	*	S	Bend	trans	-130	4.9	-177.8	81.5	0	0	0	0	117.1
215	A	36.9	Very low	40.1	Very low	64 Å²	64	115.3 Å²	115.3	53%	0.529	66%	0.663	S	S	.	*	S	Bend	trans	-110.6	-19.7	-179.9	0	0	0	0	0	115.2	I212	I212-A215 HydrophobicContact CG2-CB 3.87Å
216	V	36.1	Very low	39.5	Very low	100 Å²	100	117 Å²	117	61%	0.606	66%	0.661	S	S	*	*	S	Bend	trans	-93.7	-13.2	-178.4	-177.1	0	0	0	0	112.6	N218	V216-N218 PolarHBondContact O-N 3.25Å
217	T	35.2	Very low	38.8	Very low	92 Å²	92	125 Å²	125	56%	0.564	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-14.9	176	-12.2	0	0	0	0	113.9
218	N	35.2	Very low	38.6	Very low	144 Å²	144	121.2 Å²	121.2	77%	0.77	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-13	-179.3	-73.5	-21.9	0	0	0	114.2	V216	V216-N218 PolarHBondContact O-N 3.25Å
219	A	37.3	Very low	38.7	Very low	67 Å²	67	127.1 Å²	127.1	55%	0.554	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	-21.6	-178.9	0	0	0	0	0	113.6	H221	A219-H221 PolarHBondContact O-N 3.38Å
220	L	32.5	Very low	39.5	Very low	150 Å²	150	125 Å²	125	79%	0.785	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	1.7	178.5	-136.5	83.9	0	0	0	114
221	H	37.1	Very low	39.7	Very low	173 Å²	173	121.6 Å²	121.6	80%	0.801	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	2.2	-178.5	-115.1	-53	0	0	0	114.6	A219	A219-H221 PolarHBondContact O-N 3.38Å
222	S	42.6	Very low	40.3	Very low	100 Å²	100	121.6 Å²	121.6	70%	0.699	69%	0.689	S	S	*	*	S	Bend	trans	-120.2	-4.4	-174.6	76.6	0	0	0	0	117.8
223	I	47.3	Very low	41	Very low	139 Å²	139	120.9 Å²	120.9	71%	0.713	69%	0.69	S	S	*	*	S	Bend	trans	-119.4	-20.5	-165.3	-60	-171.8	0	0	0	117.9
224	L	37.1	Very low	41.9	Very low	171 Å²	171	119 Å²	119	90%	0.895	68%	0.682	S	S	*	*			trans	-130.7	105.5	-179.1	-82.4	153.2	0	0	0	113.4
225	G	39.3	Very low	42.7	Very low	68 Å²	68	120.2 Å²	120.2	70%	0.701	68%	0.68	S	S	*	*			trans	-84.6	148.6	179.4	0	0	0	0	0	114.8	Q227	G225-Q227 PolarHBondContact O-N 2.77Å
226	E	45.7	Very low	43.3	Very low	148 Å²	148	121 Å²	121	69%	0.692	68%	0.678	S	S	*	*	S	Bend	trans	77.1	5.6	136.6	-99.8	178.8	-171.6	0	0	123.7	K229	E226-K229 HydrophobicContact CG-CD 4.47Å; E226-K229 IonicContact OE1-NZ 3.01Å
227	Q	45.9	Very low	44	Very low	184 Å²	184	121.6 Å²	121.6	86%	0.86	68%	0.677	S	S	*	*	S	Bend	trans	-115.9	-4.3	168.7	-68.8	-66.9	-28.3	0	0	115.3	G225	G225-Q227 PolarHBondContact O-N 2.77Å
228	T	48.4	Very low	44.6	Very low	107 Å²	107	124.1 Å²	124.1	66%	0.656	68%	0.681	S	S	*	*	S	Bend	trans	-107.7	11.9	176.3	44.7	0	0	0	0	114.3
229	K	43.4	Very low	45.1	Very low	149 Å²	149	122.6 Å²	122.6	65%	0.648	67%	0.673	S	S	*	*	H	α-helix	trans	-77.4	-22.2	177.7	-90.3	179.1	179.1	170.7	0	114.5	E226 T233	E226-K229 HydrophobicContact CG-CD 4.47Å; E226-K229 IonicContact OE1-NZ 3.01Å; K229-T233 PolarHBondContact O-OG1 3Å
230	A	47.6	Very low	45.7	Very low	76 Å²	76	125.7 Å²	125.7	63%	0.628	68%	0.676	S	S	*	*	H	α-helix	trans	-88.2	-26.2	-175	0	0	0	0	0	114.1	T233	A230-T233 PolarHBondContact O-OG1 3.26Å
231	L	46	Very low	46.7	Very low	131 Å²	131	123.5 Å²	123.5	69%	0.686	66%	0.664	S	S	*	*	H	α-helix	trans	-87.5	-30.8	-175.5	-142.2	77.9	0	0	0	112.9
232	V	50.9	Low	47.5	Very low	95 Å²	95	120.5 Å²	120.5	58%	0.576	65%	0.653	S	S	*	*	H	α-helix	trans	-78.3	-26	-179.8	177.9	0	0	0	0	112.5	T236	V232-T236 PolarHBondContact O-N 2.68Å; V232-T236 PolarHBondContact O-OG1 3.33Å
233	T	48.4	Very low	47.7	Very low	92 Å²	92	119.3 Å²	119.3	56%	0.564	64%	0.641	S	S	*	*	H	α-helix	trans	-75.7	-23.3	177.3	26.9	0	0	0	0	113.5	K229 A230 T236	K229-T233 PolarHBondContact O-OG1 3Å; A230-T233 PolarHBondContact O-OG1 3.26Å; T233-T236 PolarHBondContact O-OG1 3Å
234	Q	53.7	Low	47.8	Very low	152 Å²	152	120 Å²	120	71%	0.71	64%	0.641	S	S	*	*	H	α-helix	trans	-80.5	-35.6	174.5	-98.6	-171.6	-34.2	0	0	113.2	T236	Q234-T236 VanDerWaalsContact C-N 3.35Å
235	L	50.7	Low	48.2	Very low	122 Å²	122	118.4 Å²	118.4	64%	0.639	63%	0.633	S	S	*	*	H	α-helix	trans	-76.4	-19.1	-179.4	-89.9	150.2	0	0	0	113.9
236	T	49.1	Very low	48.5	Very low	80 Å²	80	123.8 Å²	123.8	49%	0.491	63%	0.632	S	S	.	*	H	α-helix	trans	-83.7	-26.2	175.6	37.8	0	0	0	0	113.4	V232 T233 Q234	V232-T236 PolarHBondContact O-N 2.68Å; V232-T236 PolarHBondContact O-OG1 3.33Å; T233-T236 PolarHBondContact O-OG1 3Å; Q234-T236 VanDerWaalsContact C-N 3.35Å
237	L	50.8	Low	48.2	Very low	113 Å²	113	122.4 Å²	122.4	59%	0.592	63%	0.63	S	S	*	*	H	α-helix	trans	-75.4	-31.4	178.4	-157	79	0	0	0	112.8
238	F	46.9	Very low	48.1	Very low	146 Å²	146	120.8 Å²	120.8	64%	0.64	63%	0.627	S	S	*	*	H	α-helix	trans	-75.2	-31.9	-177.9	-157.4	-100.3	0	0	0	113	L242	F238-L242 HydrophobicContact CE1-CD1 4.41Å
239	N	47.3	Very low	48.1	Very low	111 Å²	111	123.1 Å²	123.1	59%	0.594	63%	0.634	S	S	*	*	H	α-helix	trans	-79.2	-14.4	176.2	-82.4	-30.3	0	0	0	113.9
240	Q	48.7	Very low	48	Very low	132 Å²	132	126.7 Å²	126.7	62%	0.617	64%	0.643	S	S	*	*	H	α-helix	trans	-80.3	-30.5	173.1	-89.1	176.5	-27.5	0	0	113	L242	Q240-L242 PolarHBondContact O-N 2.84Å
241	I	54	Low	47.9	Very low	104 Å²	104	130.4 Å²	130.4	53%	0.533	65%	0.652	S	S	.	*	H	α-helix	trans	-72.8	-29.3	179.9	-65.6	172.8	0	0	0	112.3
242	L	53.8	Low	47.6	Very low	110 Å²	110	133.3 Å²	133.3	58%	0.576	66%	0.663	S	S	*	*	H	α-helix	trans	-81.3	-13.8	-179.4	-76.6	168.3	0	0	0	114.2	F238 Q240	F238-L242 HydrophobicContact CE1-CD1 4.41Å; Q240-L242 PolarHBondContact O-N 2.84Å
243	V	47.4	Very low	47.2	Very low	75 Å²	75	135 Å²	135	46%	0.455	67%	0.673	S	S	.	*	H	α-helix	trans	-88.8	-33.3	174.9	177.6	0	0	0	0	110.9	L245 R246	V243-L245 PolarHBondContact O-N 2.91Å; V243-R246 PolarHBondContact O-N 2.9Å
244	E	49.4	Very low	46.4	Very low	153 Å²	153	139.1 Å²	139.1	72%	0.715	68%	0.683	S	S	*	*	H	α-helix	trans	-73.1	-23	178.6	-81.7	-176	157.1	0	0	114.5	R246	E244-R246 VanDerWaalsContact C-N 3.3Å; E244-R246 PolarHBondContact O-N 3.35Å
245	L	45.3	Very low	45.6	Very low	138 Å²	138	140.1 Å²	140.1	72%	0.723	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-8.1	177.9	-134.3	101.8	0	0	0	114.1	V243	V243-L245 PolarHBondContact O-N 2.91Å
246	R	45.1	Very low	44.8	Very low	181 Å²	181	142.7 Å²	142.7	68%	0.683	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-16.5	-175.3	-169.7	171.9	61.8	-163.7	-4.8	113.4	V243 E244	V243-R246 PolarHBondContact O-N 2.9Å; E244-R246 VanDerWaalsContact C-N 3.3Å; E244-R246 PolarHBondContact O-N 3.35Å
247	D	39.3	Very low	44.1	Very low	120 Å²	120	143.7 Å²	143.7	64%	0.642	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	-8.1	-177.2	-73.2	-21.3	0	0	0	114.4
248	D	44.4	Very low	43.3	Very low	150 Å²	150	146.1 Å²	146.1	80%	0.802	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-6.6	-179.8	-101.6	-2.5	0	0	0	115.4
249	I	47.8	Very low	43	Very low	156 Å²	156	146.5 Å²	146.5	80%	0.8	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	1.7	-174.7	-65.8	177.6	0	0	0	113.1
250	R	41.7	Very low	42.6	Very low	223 Å²	223	152.3 Å²	152.3	84%	0.842	74%	0.742	S	S	*	*	S	Bend	trans	-106.2	-7.6	-177	-105.3	-179.3	-170.8	164.9	4.4	118.2
251	D	45.8	Very low	42	Very low	154 Å²	154	153.5 Å²	153.5	82%	0.824	75%	0.753	S	S	*	*	S	Bend	trans	-129.1	28.7	-171	-88.3	-15.1	0	0	0	117.4
252	Q	38.8	Very low	41.2	Very low	193 Å²	193	154.8 Å²	154.8	90%	0.902	77%	0.766	S	S	*	*			trans	-130.3	65.3	164.1	-72.7	-155.7	-8.4	0	0	113.9
253	V	42.3	Very low	40.4	Very low	130 Å²	130	156.9 Å²	156.9	79%	0.788	78%	0.776	S	S	*	*			trans	-126.8	112.5	149.1	173.4	0	0	0	0	109.3
254	K	32.5	Very low	39.8	Very low	178 Å²	178	162.2 Å²	162.2	77%	0.774	80%	0.798	S	S	*	*			trans	110.8	118.3	163.6	-67.9	168.4	-175.8	-174.5	0	113
255	E	36.2	Very low	39.1	Very low	174 Å²	174	164 Å²	164	81%	0.813	81%	0.806	S	S	*	*			cis	-166	144.9	18.9	-109.1	170.8	-168.4	0	0	106.8
256	M	34	Very low	38.5	Very low	176 Å²	176	163 Å²	163	87%	0.867	81%	0.81	S	S	*	*				171.6	142	111.4	-159.2	163.2	63.9	0	0	111.1
257	S	34	Very low	37.8	Very low	101 Å²	101	162.9 Å²	162.9	71%	0.706	82%	0.817	S	S	*	*			trans	-59	171.9	177.8	48.3	0	0	0	0	115.8
258	L	34.5	Very low	37.5	Very low	163 Å²	163	163.8 Å²	163.8	85%	0.853	83%	0.826	S	S	*	*			trans	93.5	100.3	169	-139	79.6	0	0	0	112.8
259	I	41.3	Very low	37	Very low	154 Å²	154	162.7 Å²	162.7	79%	0.79	83%	0.829	S	S	*	*	S	Bend		-156.7	108.8	70.5	-71.4	149.7	0	0	0	108.7
260	R	38.9	Very low	36.2	Very low	233 Å²	233	158.5 Å²	158.5	88%	0.879	83%	0.825	S	S	*	*	S	Bend	trans	-162	73.9	140.4	-164.5	178.6	-80.7	175.8	-4.5	108.3
261	N	36.5	Very low	35.7	Very low	158 Å²	158	158.2 Å²	158.2	85%	0.845	83%	0.83	S	S	*	*			trans	-161.4	77.3	153.4	-100.4	-6.8	0	0	0	110.1
262	T	35.6	Very low	35.7	Very low	131 Å²	131	159.3 Å²	159.3	80%	0.804	83%	0.83	S	S	*	*	S	Bend	trans	178.3	97.5	152.7	4.5	0	0	0	0	103.9
263	I	37.8	Very low	35.8	Very low	154 Å²	154	159 Å²	159	79%	0.79	83%	0.828	S	S	*	*	S	Bend		-167.8	118.3	67.4	-77.6	149.7	0	0	0	106.4
264	M	34.4	Very low	36.1	Very low	187 Å²	187	162 Å²	162	92%	0.921	83%	0.833	S	S	*	*			trans	-168.6	65.8	137.6	-100.3	-154.2	-67.8	0	0	107.6
265	E	35.3	Very low	37.1	Very low	190 Å²	190	164 Å²	164	89%	0.888	84%	0.836	S	S	*	*			trans	-98.2	111.4	145	-85.3	-158.9	161.7	0	0	107.9
266	C	32	Very low	38.2	Very low	118 Å²	118	158.5 Å²	158.5	80%	0.797	82%	0.817	S	S	*	*			trans	165.9	117.2	145.5	-93.2	0	0	0	0	105.7
267	Q	31.5	Very low	39.6	Very low	177 Å²	177	156.4 Å²	156.4	83%	0.827	81%	0.805	S	S	*	*			cis	-153.8	159.4	11	-74.9	158.1	-46.1	0	0	105.1
268	V	31.5	Very low	41.3	Very low	139 Å²	139	152.7 Å²	152.7	84%	0.842	78%	0.778	S	S	*	*				170.5	141.7	90.7	164.4	0	0	0	0	107.9
269	C	34.3	Very low	42.9	Very low	128 Å²	128	148.7 Å²	148.7	87%	0.865	76%	0.764	S	S	*	*			trans	-72.7	160.7	-176.5	-51.4	0	0	0	0	115.8
270	G	30.5	Very low	44.2	Very low	68 Å²	68	146.8 Å²	146.8	70%	0.701	76%	0.762	S	S	*	*			trans	146.5	107.8	144.3	0	0	0	0	0	119.3
271	F	33	Very low	45.9	Very low	216 Å²	216	139.9 Å²	139.9	95%	0.947	74%	0.743	S	S	*	*			trans	59.2	144	143.3	-76.6	-88.5	0	0	0	124.6
272	H	46	Very low	47.8	Very low	178 Å²	178	134.4 Å²	134.4	82%	0.824	72%	0.716	S	S	*	*			trans	-51.4	151	-177.4	-94.5	-96.7	0	0	0	117.8
273	E	39	Very low	50	Low	185 Å²	185	128.8 Å²	128.8	86%	0.864	68%	0.681	S	S	*	*				-174.5	165.9	125.6	-102.3	168.8	-170	0	0	114.7
274	Q	50.4	Low	52	Low	193 Å²	193	124.4 Å²	124.4	90%	0.902	66%	0.657	S	S	*	*			trans	-48.9	140.8	-160.4	-63.2	-99.5	-11.5	0	0	117.9
275	R	52	Low	54.2	Low	222 Å²	222	126.7 Å²	126.7	84%	0.838	66%	0.655	S	S	*	*			trans	-106	133.1	178.5	-79.6	-176.5	176.3	179	-2	113.2
276	S	59.4	Low	56	Low	58 Å²	58	121 Å²	121	41%	0.406	65%	0.647	S	S	.	*			trans	-69.4	147.3	172	147.1	0	0	0	0	112.4	C278 S279 E291	S276-C278 VanDerWaalsContact C-N 3.26Å; S276-C278 PolarHBondContact O-N 2.96Å; S276-C278 PolarHBondContact OG-N 2.71Å; S276-S279 PolarHBondContact O-N 3.23Å; S276-E291 WeakPolarHBondContact CA-OE1 3.14Å; S276-E291 WeakPolarHBondContact CB-OE1 3.33Å; S276-E291 PolarHBondContact OG-OE1 2.81Å
277	H	64.6	Low	58.4	Low	131 Å²	131	115.6 Å²	115.6	61%	0.606	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-12.3	-178	-71.1	-68.4	0	0	0	113.9	E291	H277-E291 PolarHBondContact N-OE1 2.97Å
278	C	68.5	Low	60.7	Low	23 Å²	23	113.5 Å²	113.5	16%	0.155	61%	0.605	C	S	.	*	T	Hydrogen-bonded Turn	trans	-96.2	15.4	171.6	-75.6	0	0	0	0	113.1	S276 P280 N281 C289 E291	S276-C278 VanDerWaalsContact C-N 3.26Å; S276-C278 PolarHBondContact O-N 2.96Å; S276-C278 PolarHBondContact OG-N 2.71Å; C278-P280 CarbonylContact O-C 3.4Å; C278-N281 WeakPolarHBondContact O-CA 3.21Å; C278-N281 PolarHBondContact O-N 3.14Å; C278-C289 HydrophobicContact CB-CB 3.87Å; C278-C289 WeakPolarHBondContact CB-SG 3.38Å; C278-C289 WeakPolarHBondContact SG-CB 3.36Å; C278-C289 CovalentContact SG-SG 2.05Å; C278-C289 PolarHBondContact SG-SG 2.98Å; C278-E291 HydrophobicContact CB-CG 4.42Å
279	S	68.5	Low	63	Low	79 Å²	79	108.4 Å²	108.4	55%	0.552	58%	0.576	S	S	*	*	S	Bend	trans	-133.9	109.2	178.3	-165.2	0	0	0	0	112.7	S276	S276-S279 PolarHBondContact O-N 3.23Å
280	P	67.6	Low	65.1	Low	115 Å²	115	107 Å²	107	75%	0.747	56%	0.557	S	S	*	*	S	Bend	cis	-69.6	147.6	3.7	28.7	-34	0	0	0	113.2	C278 P282	C278-P280 CarbonylContact O-C 3.4Å; P280-P282 VanDerWaalsContact O-CD 3.24Å; P280-P282 WeakPolarHBondContact O-CD 3.43Å
281	N	75.9	Confident	67	Low	88 Å²	88	108.8 Å²	108.8	47%	0.471	55%	0.548	S	S	.	.			trans	-61.9	115.1	-173.7	-174.4	-6.7	0	0	0	111.3	C278 C283 C289	C278-N281 WeakPolarHBondContact O-CA 3.21Å; C278-N281 PolarHBondContact O-N 3.14Å; N281-C283 VanDerWaalsContact C-N 3.3Å; N281-C283 WeakPolarHBondContact OD1-CB 3.39Å; N281-C283 PolarHBondContact OD1-N 3.02Å; N281-C289 VanDerWaalsContact OD1-CB 3.3Å; N281-C289 WeakPolarHBondContact OD1-CB 3.42Å
282	P	75.8	Confident	69.1	Low	43 Å²	43	100.8 Å²	100.8	28%	0.279	52%	0.516	S	S	.	.			trans	-81	-5.4	-179.2	33.7	-36.3	0	0	0	114	P280 Y298	P280-P282 VanDerWaalsContact O-CD 3.24Å; P280-P282 WeakPolarHBondContact O-CD 3.43Å; P282-Y298 HydrophobicContact CB-CD2 4.02Å; P282-Y298 HydrophobicContact CB-CE1 4.14Å; P282-Y298 HydrophobicContact CB-CE2 3.59Å; P282-Y298 HydrophobicContact CB-CG 4.45Å; P282-Y298 HydrophobicContact CG-CD1 3.9Å; P282-Y298 HydrophobicContact CG-CD2 3.31Å; P282-Y298 HydrophobicContact CG-CE1 4.03Å; P282-Y298 HydrophobicContact CG-CE2 3.46Å; P282-Y298 VanDerWaalsContact CG-CE2 3.46Å; P282-Y298 HydrophobicContact CG-CG 3.54Å
283	C	81.1	Confident	69.9	Low	12 Å²	12	104.1 Å²	104.1	8%	0.081	52%	0.523	C	S	.	.	S	Bend	trans	-87.2	157.6	178.7	-56	0	0	0	0	112.4	N281 V287 C289 C300	N281-C283 VanDerWaalsContact C-N 3.3Å; N281-C283 WeakPolarHBondContact OD1-CB 3.39Å; N281-C283 PolarHBondContact OD1-N 3.02Å; C283-V287 HydrophobicContact CB-CB 4.17Å; C283-V287 HydrophobicContact CB-CG1 4.2Å; C283-C289 HydrophobicContact CB-CB 4.37Å; C283-C289 WeakPolarHBondContact SG-CB 3.26Å; C283-C300 WeakPolarHBondContact CA-SG 3.49Å; C283-C300 HydrophobicContact CB-CB 3.7Å; C283-C300 WeakPolarHBondContact CB-SG 3.41Å; C283-C300 WeakPolarHBondContact SG-CA 3.45Å; C283-C300 WeakPolarHBondContact SG-CB 3.24Å; C283-C300 CovalentContact SG-SG 2.02Å; C283-C300 PolarHBondContact SG-SG 2.75Å
284	F	81.8	Confident	71.3	Confident	63 Å²	63	102.6 Å²	102.6	28%	0.276	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-58.4	147	177.9	-173.8	-94.1	0	0	0	111.1	G286 V287 L307 G311 C314	F284-G286 PolarHBondContact O-N 3.15Å; F284-G286 VanDerWaalsContact O-N 3.1Å; F284-V287 HydrophobicContact CB-CG2 4Å; F284-V287 HydrophobicContact CD1-CG2 4.41Å; F284-V287 VanDerWaalsContact O-CB 3.31Å; F284-V287 WeakPolarHBondContact O-CB 3.49Å; F284-V287 PolarHBondContact O-N 3.19Å; F284-L307 HydrophobicContact CD1-CD1 4.48Å; F284-L307 HydrophobicContact CE1-CD1 3.65Å; F284-L307 HydrophobicContact CZ-CD1 4.18Å; F284-G311 PolarHBondContact N-O 3.23Å; F284-C314 HydrophobicContact CB-CB 4.3Å; F284-C314 HydrophobicContact CD1-CB 3.76Å; F284-C314 HydrophobicContact CD2-CB 3.91Å; F284-C314 HydrophobicContact CE1-CB 3.98Å; F284-C314 HydrophobicContact CE2-CB 4.12Å; F284-C314 HydrophobicContact CG-CB 3.72Å; F284-C314 HydrophobicContact CZ-CB 4.15Å
285	R	78.9	Confident	71.7	Confident	234 Å²	234	104.3 Å²	104.3	88%	0.883	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	118.3	-174.6	-172.8	179	-177.2	176.9	-0.1	110.6
286	G	74.6	Confident	72	Confident	71 Å²	71	97.1 Å²	97.1	73%	0.732	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.5	2.4	-176.6	0	0	0	0	0	114.9	F284	F284-G286 PolarHBondContact O-N 3.15Å; F284-G286 VanDerWaalsContact O-N 3.1Å
287	V	82.1	Confident	72.5	Confident	5 Å²	5	94.8 Å²	94.8	3%	0.03	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-99.6	132.9	171.8	179.4	0	0	0	0	110.2	C283 F284 C300 G301 P304	C283-V287 HydrophobicContact CB-CB 4.17Å; C283-V287 HydrophobicContact CB-CG1 4.2Å; F284-V287 HydrophobicContact CB-CG2 4Å; F284-V287 HydrophobicContact CD1-CG2 4.41Å; F284-V287 VanDerWaalsContact O-CB 3.31Å; F284-V287 WeakPolarHBondContact O-CB 3.49Å; F284-V287 PolarHBondContact O-N 3.19Å; V287-C300 HydrophobicContact CG1-CB 4.01Å; V287-G301 WeakPolarHBondContact CG1-O 3.36Å; V287-P304 HydrophobicContact CG2-CG 4.15Å
288	D	80.1	Confident	73.1	Confident	133 Å²	133	92 Å²	92	71%	0.711	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-69.2	130.8	178.1	-66.5	-37	0	0	0	111.6	G301	D288-G301 PolarHBondContact O-N 2.94Å
289	C	78.3	Confident	73.7	Confident	32 Å²	32	98.3 Å²	98.3	22%	0.216	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	123.3	174.8	-172.9	0	0	0	0	110.3	C278 N281 C283	C278-C289 HydrophobicContact CB-CB 3.87Å; C278-C289 WeakPolarHBondContact CB-SG 3.38Å; C278-C289 WeakPolarHBondContact SG-CB 3.36Å; C278-C289 CovalentContact SG-SG 2.05Å; C278-C289 PolarHBondContact SG-SG 2.98Å; N281-C289 VanDerWaalsContact OD1-CB 3.3Å; N281-C289 WeakPolarHBondContact OD1-CB 3.42Å; C283-C289 HydrophobicContact CB-CB 4.37Å; C283-C289 WeakPolarHBondContact SG-CB 3.26Å
290	M	78.4	Confident	74.4	Confident	98 Å²	98	95.4 Å²	95.4	48%	0.483	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.9	177.1	-63.2	177.2	-78.2	0	0	109.8	Y298 R299	M290-Y298 CarbonylContact O-C 3.55Å; M290-Y298 WeakPolarHBondContact O-CA 3.49Å; M290-R299 HydrophobicContact CE-CG 4.45Å; M290-R299 PolarHBondContact N-O 3.3Å; M290-R299 PolarHBondContact O-N 3.41Å
291	E	71.2	Confident	75	Confident	106 Å²	106	90.6 Å²	90.6	50%	0.495	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	135.3	174.1	-66	-170.4	153.2	0	0	110.9	S276 H277 C278	S276-E291 WeakPolarHBondContact CA-OE1 3.14Å; S276-E291 WeakPolarHBondContact CB-OE1 3.33Å; S276-E291 PolarHBondContact OG-OE1 2.81Å; H277-E291 PolarHBondContact N-OE1 2.97Å; C278-E291 HydrophobicContact CB-CG 4.42Å
292	V	76.3	Confident	75.2	Confident	48 Å²	48	92.1 Å²	92.1	29%	0.291	45%	0.454	S	S	.	.			trans	-130.8	149.9	178.7	-65.2	0	0	0	0	110.3	E294 G297 R299	V292-E294 VanDerWaalsContact C-N 3.26Å; V292-E294 PolarHBondContact O-N 2.94Å; V292-G297 PolarHBondContact N-O 2.85Å; V292-G297 VanDerWaalsContact N-O 3.15Å; V292-G297 CarbonylContact O-C 3.48Å; V292-G297 VanDerWaalsContact O-CA 3.3Å; V292-G297 WeakPolarHBondContact O-CA 3.15Å; V292-R299 HydrophobicContact CG1-CB 3.95Å; V292-R299 HydrophobicContact CG2-CB 4.44Å
293	Y	63.6	Low	75.6	Confident	247 Å²	247	91.1 Å²	91.1	97%	0.969	45%	0.447	S	S	*	.	S	Bend	trans	-78.1	-7.7	-175.1	-67.5	-84	0	0	0	114.2
294	E	68.9	Low	75.6	Confident	154 Å²	154	92.2 Å²	92.2	72%	0.72	45%	0.454	S	S	*	.	S	Bend	trans	-99.8	139.7	178.2	-70.9	175.4	169	0	0	110.9	V292 G297	V292-E294 VanDerWaalsContact C-N 3.26Å; V292-E294 PolarHBondContact O-N 2.94Å; E294-G297 WeakPolarHBondContact O-CA 3.34Å; E294-G297 PolarHBondContact O-N 3.21Å
295	Y	58	Low	75.3	Confident	228 Å²	228	94.2 Å²	94.2	89%	0.894	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	128.8	178.9	-174.6	-91.1	0	0	0	110.6
296	P	58.4	Low	75.1	Confident	71 Å²	71	83.3 Å²	83.3	46%	0.461	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	cis	-91.5	12.9	21.2	35.6	-36.2	0	0	0	117.1	Y298	P296-Y298 HydrophobicContact CB-CD1 4.38Å; P296-Y298 HydrophobicContact CB-CE1 3.93Å; P296-Y298 HydrophobicContact CG-CD1 4.34Å; P296-Y298 HydrophobicContact CG-CE1 3.96Å
297	G	70.1	Confident	75.5	Confident	9 Å²	9	81 Å²	81	9%	0.093	41%	0.405	C	S	.	.	S	Bend	trans	92.6	-0.9	172.2	0	0	0	0	0	115.7	V292 E294	V292-G297 PolarHBondContact N-O 2.85Å; V292-G297 VanDerWaalsContact N-O 3.15Å; V292-G297 CarbonylContact O-C 3.48Å; V292-G297 VanDerWaalsContact O-CA 3.3Å; V292-G297 WeakPolarHBondContact O-CA 3.15Å; E294-G297 WeakPolarHBondContact O-CA 3.34Å; E294-G297 PolarHBondContact O-N 3.21Å
298	Y	77.3	Confident	75.5	Confident	73 Å²	73	86.2 Å²	86.2	29%	0.286	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	154.3	178	66.5	-87.4	0	0	0	111.8	P282 M290 P296 T312	P282-Y298 HydrophobicContact CB-CD2 4.02Å; P282-Y298 HydrophobicContact CB-CE1 4.14Å; P282-Y298 HydrophobicContact CB-CE2 3.59Å; P282-Y298 HydrophobicContact CB-CG 4.45Å; P282-Y298 HydrophobicContact CG-CD1 3.9Å; P282-Y298 HydrophobicContact CG-CD2 3.31Å; P282-Y298 HydrophobicContact CG-CE1 4.03Å; P282-Y298 HydrophobicContact CG-CE2 3.46Å; P282-Y298 VanDerWaalsContact CG-CE2 3.46Å; P282-Y298 HydrophobicContact CG-CG 3.54Å; M290-Y298 CarbonylContact O-C 3.55Å; M290-Y298 WeakPolarHBondContact O-CA 3.49Å; P296-Y298 HydrophobicContact CB-CD1 4.38Å; P296-Y298 HydrophobicContact CB-CE1 3.93Å; P296-Y298 HydrophobicContact CG-CD1 4.34Å; P296-Y298 HydrophobicContact CG-CE1 3.96Å; Y298-T312 HydrophobicContact CE2-CG2 4.23Å
299	R	80.3	Confident	75.6	Confident	155 Å²	155	82.4 Å²	82.4	59%	0.585	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.2	130.1	173.2	-178.1	-176.3	-65.9	-158.4	0.7	109.4	M290 V292	M290-R299 HydrophobicContact CE-CG 4.45Å; M290-R299 PolarHBondContact N-O 3.3Å; M290-R299 PolarHBondContact O-N 3.41Å; V292-R299 HydrophobicContact CG1-CB 3.95Å; V292-R299 HydrophobicContact CG2-CB 4.44Å
300	C	83.3	Confident	75.7	Confident	19 Å²	19	86.2 Å²	86.2	13%	0.128	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	143.3	175.8	-56.7	0	0	0	0	111.2	C283 V287 G311 T312	C283-C300 WeakPolarHBondContact CA-SG 3.49Å; C283-C300 HydrophobicContact CB-CB 3.7Å; C283-C300 WeakPolarHBondContact CB-SG 3.41Å; C283-C300 WeakPolarHBondContact SG-CA 3.45Å; C283-C300 WeakPolarHBondContact SG-CB 3.24Å; C283-C300 CovalentContact SG-SG 2.02Å; C283-C300 PolarHBondContact SG-SG 2.75Å; V287-C300 HydrophobicContact CG1-CB 4.01Å; C300-G311 WeakPolarHBondContact CB-O 3.46Å; C300-T312 HydrophobicContact CB-CG2 4.24Å; C300-T312 WeakPolarHBondContact SG-CG2 3.17Å
301	G	80	Confident	75.6	Confident	13 Å²	13	81.5 Å²	81.5	13%	0.134	42%	0.416	C	S	.	.			trans	-65.6	179.7	169.5	0	0	0	0	0	113.5	V287 D288 G311	V287-G301 WeakPolarHBondContact CG1-O 3.36Å; D288-G301 PolarHBondContact O-N 2.94Å; G301-G311 VanDerWaalsContact O-CA 3.25Å; G301-G311 WeakPolarHBondContact O-CA 3.3Å
302	P	81.9	Confident	75.9	Confident	120 Å²	120	78.6 Å²	78.6	78%	0.779	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-63.6	156	174.5	28.9	-34.5	0	0	0	111.6
303	C	82.7	Confident	76.1	Confident	22 Å²	22	83.5 Å²	83.5	15%	0.149	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-62.2	150.8	175.1	-69.2	0	0	0	0	111.7	L307 G309 C314	C303-L307 HydrophobicContact CB-CB 4.12Å; C303-L307 WeakPolarHBondContact CB-O 3.29Å; C303-G309 VanDerWaalsContact SG-C 3.6Å; C303-G309 VanDerWaalsContact SG-CA 3.59Å; C303-C314 VanDerWaalsContact CA-SG 3.56Å; C303-C314 HydrophobicContact CB-CB 3.81Å; C303-C314 WeakPolarHBondContact CB-SG 3.08Å; C303-C314 VanDerWaalsContact SG-CA 3.59Å; C303-C314 WeakPolarHBondContact SG-CB 3.29Å; C303-C314 CovalentContact SG-SG 2.03Å; C303-C314 PolarHBondContact SG-SG 2.75Å
304	P	81.9	Confident	77	Confident	35 Å²	35	72.4 Å²	72.4	23%	0.227	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-58.9	154.5	175.6	-21.1	33.1	0	0	0	112	V287 G306 L307	V287-P304 HydrophobicContact CG2-CG 4.15Å; P304-G306 PolarHBondContact O-N 2.83Å; P304-L307 HydrophobicContact CB-CD1 4.24Å; P304-L307 HydrophobicContact CG-CD1 4.14Å; P304-L307 WeakPolarHBondContact O-CB 3.39Å; P304-L307 PolarHBondContact O-N 2.84Å
305	P	75.8	Confident	77.6	Confident	106 Å²	106	67.9 Å²	67.9	69%	0.688	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	136	178.1	-25.5	34	0	0	0	112.5	L307 V356	P305-L307 VanDerWaalsContact C-N 3.34Å; P305-V356 HydrophobicContact CB-CG1 4.35Å; P305-V356 WeakPolarHBondContact O-CG1 3.49Å
306	G	74.4	Confident	78.9	Confident	5 Å²	5	58.6 Å²	58.6	5%	0.052	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	-5.8	-174.4	0	0	0	0	0	114.7	P304 I317	P304-G306 PolarHBondContact O-N 2.83Å; G306-I317 WeakPolarHBondContact O-CB 3.31Å; G306-I317 PolarHBondContact O-N 2.94Å
307	L	82.9	Confident	80.1	Confident	23 Å²	23	56.6 Å²	56.6	12%	0.12	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143.6	177.2	-56.8	168.9	0	0	0	110.6	F284 C303 P304 P305 C314 S315 D316 M336	F284-L307 HydrophobicContact CD1-CD1 4.48Å; F284-L307 HydrophobicContact CE1-CD1 3.65Å; F284-L307 HydrophobicContact CZ-CD1 4.18Å; C303-L307 HydrophobicContact CB-CB 4.12Å; C303-L307 WeakPolarHBondContact CB-O 3.29Å; P304-L307 HydrophobicContact CB-CD1 4.24Å; P304-L307 HydrophobicContact CG-CD1 4.14Å; P304-L307 WeakPolarHBondContact O-CB 3.39Å; P304-L307 PolarHBondContact O-N 2.84Å; P305-L307 VanDerWaalsContact C-N 3.34Å; L307-C314 HydrophobicContact CB-CB 4.07Å; L307-C314 HydrophobicContact CD1-CB 4.31Å; L307-S315 CarbonylContact C-O 3.57Å; L307-S315 WeakPolarHBondContact CA-O 3.05Å; L307-D316 HydrophobicContact CD2-CB 4.14Å; L307-M336 HydrophobicContact CD2-CG 4.09Å
308	Q	81.7	Confident	80.8	Confident	113 Å²	113	58.9 Å²	58.9	53%	0.528	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	146.6	174.4	66.2	176	13.5	0	0	111.3	C314 S315 I317	Q308-C314 CarbonylContact O-C 3.44Å; Q308-C314 WeakPolarHBondContact O-CA 3.27Å; Q308-S315 PolarHBondContact N-O 2.78Å; Q308-S315 PolarHBondContact O-N 3.4Å; Q308-S315 PolarHBondContact O-OG 3.18Å; Q308-I317 HydrophobicContact CB-CD1 4.04Å; Q308-I317 HydrophobicContact CB-CG1 3.77Å; Q308-I317 HydrophobicContact CG-CG1 3.93Å
309	G	82.2	Confident	81.3	Confident	53 Å²	53	55.4 Å²	55.4	55%	0.546	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	155	-168.6	177.8	0	0	0	0	0	113.6	C303 H313	C303-G309 VanDerWaalsContact SG-C 3.6Å; C303-G309 VanDerWaalsContact SG-CA 3.59Å; G309-H313 WeakPolarHBondContact CA-O 3.4Å
310	N	79.7	Confident	81.6	Confident	112 Å²	112	49 Å²	49	60%	0.599	30%	0.296	S	S	*	.	S	Bend	trans	-97.3	14.4	-174.3	70	1.8	0	0	0	113.7	T312 H313	N310-T312 PolarHBondContact ND2-OG1 3.22Å; N310-T312 PolarHBondContact O-N 3.13Å; N310-T312 PolarHBondContact OD1-N 3.26Å; N310-T312 PolarHBondContact OD1-OG1 2.99Å; N310-H313 PolarHBondContact N-O 3.43Å; N310-H313 PolarHBondContact OD1-N 2.83Å
311	G	77	Confident	81.7	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	32%	0.321	C	S	.	.	S	Bend	trans	81.3	-19.3	-178.3	0	0	0	0	0	115.6	F284 C300 G301	F284-G311 PolarHBondContact N-O 3.23Å; C300-G311 WeakPolarHBondContact CB-O 3.46Å; G301-G311 VanDerWaalsContact O-CA 3.25Å; G301-G311 WeakPolarHBondContact O-CA 3.3Å
312	T	76.8	Confident	81.8	Confident	44 Å²	44	58.2 Å²	58.2	27%	0.27	34%	0.34	S	S	.	.	S	Bend	trans	-95.4	-39.4	170.1	57	0	0	0	0	111.8	Y298 C300 N310	Y298-T312 HydrophobicContact CE2-CG2 4.23Å; C300-T312 HydrophobicContact CB-CG2 4.24Å; C300-T312 WeakPolarHBondContact SG-CG2 3.17Å; N310-T312 PolarHBondContact ND2-OG1 3.22Å; N310-T312 PolarHBondContact O-N 3.13Å; N310-T312 PolarHBondContact OD1-N 3.26Å; N310-T312 PolarHBondContact OD1-OG1 2.99Å
313	H	80.7	Confident	81.8	Confident	151 Å²	151	53 Å²	53	70%	0.699	31%	0.308	S	S	*	.	S	Bend	trans	-120.5	114.4	170.5	-79.3	-90.9	0	0	0	108.6	G309 N310	G309-H313 WeakPolarHBondContact CA-O 3.4Å; N310-H313 PolarHBondContact N-O 3.43Å; N310-H313 PolarHBondContact OD1-N 2.83Å
314	C	83.8	Confident	82	Confident	15 Å²	15	56.8 Å²	56.8	10%	0.101	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.7	174.7	-60.2	0	0	0	0	108.7	F284 C303 L307 Q308	F284-C314 HydrophobicContact CB-CB 4.3Å; F284-C314 HydrophobicContact CD1-CB 3.76Å; F284-C314 HydrophobicContact CD2-CB 3.91Å; F284-C314 HydrophobicContact CE1-CB 3.98Å; F284-C314 HydrophobicContact CE2-CB 4.12Å; F284-C314 HydrophobicContact CG-CB 3.72Å; F284-C314 HydrophobicContact CZ-CB 4.15Å; C303-C314 VanDerWaalsContact CA-SG 3.56Å; C303-C314 HydrophobicContact CB-CB 3.81Å; C303-C314 WeakPolarHBondContact CB-SG 3.08Å; C303-C314 VanDerWaalsContact SG-CA 3.59Å; C303-C314 WeakPolarHBondContact SG-CB 3.29Å; C303-C314 CovalentContact SG-SG 2.03Å; C303-C314 PolarHBondContact SG-SG 2.75Å; L307-C314 HydrophobicContact CB-CB 4.07Å; L307-C314 HydrophobicContact CD1-CB 4.31Å; Q308-C314 CarbonylContact O-C 3.44Å; Q308-C314 WeakPolarHBondContact O-CA 3.27Å
315	S	81.9	Confident	82.2	Confident	59 Å²	59	55.1 Å²	55.1	41%	0.413	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	150.1	175	59.4	0	0	0	0	110	L307 Q308	L307-S315 CarbonylContact C-O 3.57Å; L307-S315 WeakPolarHBondContact CA-O 3.05Å; Q308-S315 PolarHBondContact N-O 2.78Å; Q308-S315 PolarHBondContact O-N 3.4Å; Q308-S315 PolarHBondContact O-OG 3.18Å
316	D	85.1	Confident	82.9	Confident	33 Å²	33	50.4 Å²	50.4	18%	0.176	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	140.7	178.8	-167.9	59.8	0	0	0	113.2	L307 N334 M336	L307-D316 HydrophobicContact CD2-CB 4.14Å; D316-N334 PolarHBondContact OD2-ND2 3.3Å; D316-M336 HydrophobicContact CB-CB 4.36Å; D316-M336 HydrophobicContact CB-CE 3.51Å; D316-M336 HydrophobicContact CB-CG 4.07Å; D316-M336 WeakPolarHBondContact OD1-CA 3.42Å
317	I	83	Confident	83.5	Confident	29 Å²	29	52.6 Å²	52.6	15%	0.149	29%	0.293	C	S	.	.			trans	-89.1	124.3	171.2	-63	172	0	0	0	106.5	G306 Q308 E319 N334	G306-I317 WeakPolarHBondContact O-CB 3.31Å; G306-I317 PolarHBondContact O-N 2.94Å; Q308-I317 HydrophobicContact CB-CD1 4.04Å; Q308-I317 HydrophobicContact CB-CG1 3.77Å; Q308-I317 HydrophobicContact CG-CG1 3.93Å; I317-E319 HydrophobicContact CG2-CG 4.37Å; I317-E319 VanDerWaalsContact O-CD 3.29Å; I317-E319 PolarHBondContact O-N 2.75Å; I317-E319 VanDerWaalsContact O-N 3.13Å; I317-N334 PolarHBondContact O-OD1 2.74Å
318	N	84.7	Confident	83.4	Confident	57 Å²	57	56.6 Å²	56.6	31%	0.305	32%	0.32	S	S	.	.			trans	-82.6	91.4	176.2	-171.1	-28.4	0	0	0	110.6	C320 V321 H322 N334	N318-C320 PolarHBondContact O-N 3.28Å; N318-C320 WeakPolarHBondContact OD1-CB 3.41Å; N318-C320 PolarHBondContact OD1-N 3.5Å; N318-V321 PolarHBondContact O-N 3.37Å; N318-V321 PolarHBondContact OD1-N 3.13Å; N318-H322 PolarHBondContact O-CD2 2.82Å; N318-H322 PolarHBondContact O-N 2.8Å; N318-N334 VanDerWaalsContact CA-OD1 3.31Å; N318-N334 WeakPolarHBondContact CA-OD1 3.23Å
319	E	88.4	Confident	83.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-66.6	-26.4	-176.8	-61.3	93.8	163.7	0	0	113	I317 V321 H322 A323 N334 F339 G357 A361	I317-E319 HydrophobicContact CG2-CG 4.37Å; I317-E319 VanDerWaalsContact O-CD 3.29Å; I317-E319 PolarHBondContact O-N 2.75Å; I317-E319 VanDerWaalsContact O-N 3.13Å; E319-V321 PolarHBondContact O-N 2.77Å; E319-H322 PolarHBondContact O-N 3.41Å; E319-A323 WeakPolarHBondContact O-CB 3.46Å; E319-A323 PolarHBondContact O-N 3.42Å; E319-N334 PolarHBondContact N-OD1 3.39Å; E319-N334 PolarHBondContact OE2-OD1 3Å; E319-F339 HydrophobicContact CB-CB 4.16Å; E319-F339 HydrophobicContact CB-CD1 3.81Å; E319-F339 HydrophobicContact CB-CG 4.16Å; E319-F339 HydrophobicContact CG-CD1 4.22Å; E319-G357 WeakPolarHBondContact OE1-CA 3.29Å; E319-G357 PolarHBondContact OE1-N 2.85Å; E319-A361 HydrophobicContact CB-CB 3.93Å; E319-A361 HydrophobicContact CG-CB 4.31Å
320	C	86.4	Confident	83.3	Confident	21 Å²	21	53.1 Å²	53.1	14%	0.142	31%	0.312	C	S	.	.	H	α-helix	trans	-62.3	-42.1	177.6	-67.9	0	0	0	0	112.7	N318 C332 I333	N318-C320 PolarHBondContact O-N 3.28Å; N318-C320 WeakPolarHBondContact OD1-CB 3.41Å; N318-C320 PolarHBondContact OD1-N 3.5Å; C320-C332 WeakPolarHBondContact CA-SG 3.46Å; C320-C332 HydrophobicContact CB-CB 3.69Å; C320-C332 WeakPolarHBondContact CB-SG 3.4Å; C320-C332 WeakPolarHBondContact SG-CB 3.1Å; C320-C332 CovalentContact SG-SG 2.04Å; C320-C332 PolarHBondContact SG-SG 3.42Å; C320-I333 VanDerWaalsContact SG-C 3.54Å
321	V	84.4	Confident	83.6	Confident	110 Å²	110	50.7 Å²	50.7	67%	0.667	30%	0.304	S	S	*	.	H	α-helix	trans	-76.4	-30.2	179.7	176.6	0	0	0	0	111.7	N318 E319	N318-V321 PolarHBondContact O-N 3.37Å; N318-V321 PolarHBondContact OD1-N 3.13Å; E319-V321 PolarHBondContact O-N 2.77Å
322	H	81.8	Confident	84.2	Confident	114 Å²	114	52.3 Å²	52.3	53%	0.528	32%	0.315	S	S	.	.	H	α-helix	trans	-102	-17.7	-168.1	-66.5	-56.9	0	0	0	115.5	N318 E319 I358	N318-H322 PolarHBondContact O-CD2 2.82Å; N318-H322 PolarHBondContact O-N 2.8Å; E319-H322 PolarHBondContact O-N 3.41Å; H322-I358 HydrophobicContact CB-CD1 3.71Å
323	A	82.8	Confident	84.8	Confident	12 Å²	12	53.5 Å²	53.5	10%	0.099	32%	0.318	C	S	.	.	H	α-helix	trans	-126.7	-15.8	-178.5	0	0	0	0	0	115	E319 I358 A361 R362	E319-A323 WeakPolarHBondContact O-CB 3.46Å; E319-A323 PolarHBondContact O-N 3.42Å; A323-I358 HydrophobicContact CB-CG1 4.26Å; A323-A361 HydrophobicContact CB-CB 3.54Å; A323-R362 HydrophobicContact CB-CG 3.91Å
324	D	86.4	Confident	85.1	Confident	100 Å²	100	48.6 Å²	48.6	54%	0.535	30%	0.298	S	S	.	.			trans	40	68.7	-174.1	-168	29.8	0	0	0	113	K365	D324-K365 PolarHBondContact O-NZ 2.93Å
325	P	86.6	Confident	85.2	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	31%	0.309	C	S	.	.			trans	-84.1	-12	-169.7	32.6	-34.9	0	0	0	114.2	F339 A361 K365 Q366	P325-F339 HydrophobicContact CB-CD2 4.08Å; P325-F339 HydrophobicContact CB-CE2 3.37Å; P325-F339 HydrophobicContact CB-CZ 3.62Å; P325-F339 HydrophobicContact CG-CD2 3.37Å; P325-F339 HydrophobicContact CG-CE1 4.47Å; P325-F339 HydrophobicContact CG-CE2 3.21Å; P325-F339 HydrophobicContact CG-CG 4.09Å; P325-F339 HydrophobicContact CG-CZ 3.81Å; P325-A361 HydrophobicContact CB-CB 4.18Å; P325-A361 WeakPolarHBondContact CB-O 3.46Å; P325-A361 HydrophobicContact CG-CB 4.43Å; P325-K365 CarbonylContact O-C 3.5Å; P325-K365 WeakPolarHBondContact O-CA 3.35Å; P325-Q366 PolarHBondContact O-N 3.38Å
326	C	89.4	Confident	85.2	Confident	8 Å²	8	54.1 Å²	54.1	5%	0.054	32%	0.321	C	S	.	.	S	Bend	trans	-95.7	161.8	-174.7	-48.2	0	0	0	0	112.2	S330 C332 C341	C326-S330 WeakPolarHBondContact CB-OG 3.44Å; C326-C332 HydrophobicContact CB-CB 4.28Å; C326-C332 VanDerWaalsContact SG-CA 3.56Å; C326-C332 WeakPolarHBondContact SG-CB 3.29Å; C326-C332 PolarHBondContact SG-SG 2.81Å; C326-C341 WeakPolarHBondContact CA-SG 3.28Å; C326-C341 HydrophobicContact CB-CB 3.75Å; C326-C341 WeakPolarHBondContact CB-SG 3.31Å; C326-C341 WeakPolarHBondContact SG-CA 3.11Å; C326-C341 WeakPolarHBondContact SG-CB 3.38Å; C326-C341 CovalentContact SG-SG 2.03Å; C326-C341 PolarHBondContact SG-SG 2.87Å
327	F	88.3	Confident	84.7	Confident	51 Å²	51	56.1 Å²	56.1	22%	0.224	34%	0.336	C	S	.	.			trans	-70.1	142.8	179.6	-178.4	-97.5	0	0	0	110.8	G329 S330 P345 Y348 Q366 C368	F327-G329 PolarHBondContact O-N 2.59Å; F327-S330 PolarHBondContact N-OG 3.15Å; F327-S330 WeakPolarHBondContact O-CB 3.34Å; F327-S330 PolarHBondContact O-N 2.54Å; F327-S330 PolarHBondContact O-OG 3.21Å; F327-P345 HydrophobicContact CD1-CG 4.4Å; F327-Y348 HydrophobicContact CZ-CD1 4.39Å; F327-Y348 HydrophobicContact CZ-CE1 4.22Å; F327-Q366 HydrophobicContact CB-CB 4.46Å; F327-Q366 HydrophobicContact CB-CG 4.31Å; F327-C368 HydrophobicContact CB-CB 4.23Å; F327-C368 VanDerWaalsContact CB-SG 3.55Å; F327-C368 HydrophobicContact CD1-CB 3.83Å; F327-C368 HydrophobicContact CD2-CB 3.78Å; F327-C368 HydrophobicContact CE1-CB 4.08Å; F327-C368 HydrophobicContact CE2-CB 4.04Å; F327-C368 HydrophobicContact CG-CB 3.67Å; F327-C368 HydrophobicContact CZ-CB 4.18Å
328	P	80.8	Confident	85	Confident	106 Å²	106	54.8 Å²	54.8	69%	0.688	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	116	176.8	-26.8	35.6	0	0	0	112.1
329	G	76.8	Confident	85.2	Confident	74 Å²	74	52.1 Å²	52.1	76%	0.763	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.7	-8.1	-175.3	0	0	0	0	0	115.3	F327	F327-G329 PolarHBondContact O-N 2.59Å
330	S	84.6	Confident	85.3	Confident	19 Å²	19	55.1 Å²	55.1	13%	0.133	33%	0.328	C	S	.	.	S	Bend	trans	-95.8	144.3	167.3	65.6	0	0	0	0	111	C326 F327 Q366	C326-S330 WeakPolarHBondContact CB-OG 3.44Å; F327-S330 PolarHBondContact N-OG 3.15Å; F327-S330 WeakPolarHBondContact O-CB 3.34Å; F327-S330 PolarHBondContact O-N 2.54Å; F327-S330 PolarHBondContact O-OG 3.21Å; S330-Q366 PolarHBondContact OG-OE1 2.91Å; S330-Q366 VanDerWaalsContact OG-OE1 3.05Å
331	S	86.9	Confident	85.5	Confident	62 Å²	62	54.1 Å²	54.1	43%	0.434	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-81.9	132	-178	-165.6	0	0	0	0	111.5	E342	S331-E342 VanDerWaalsContact CB-OE2 3.27Å; S331-E342 WeakPolarHBondContact CB-OE2 3.25Å; S331-E342 PolarHBondContact O-N 2.83Å
332	C	89.3	Confident	85.7	Confident	34 Å²	34	53.1 Å²	53.1	23%	0.23	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	123.9	172.4	-169.1	0	0	0	0	110.6	C320 C326	C320-C332 WeakPolarHBondContact CA-SG 3.46Å; C320-C332 HydrophobicContact CB-CB 3.69Å; C320-C332 WeakPolarHBondContact CB-SG 3.4Å; C320-C332 WeakPolarHBondContact SG-CB 3.1Å; C320-C332 CovalentContact SG-SG 2.04Å; C320-C332 PolarHBondContact SG-SG 3.42Å; C326-C332 HydrophobicContact CB-CB 4.28Å; C326-C332 VanDerWaalsContact SG-CA 3.56Å; C326-C332 WeakPolarHBondContact SG-CB 3.29Å; C326-C332 PolarHBondContact SG-SG 2.81Å
333	I	89.8	Confident	86	Confident	68 Å²	68	50.3 Å²	50.3	35%	0.349	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	118.3	178.5	-55.9	176.1	0	0	0	109.1	C320 T335 F339 H340 E342	C320-I333 VanDerWaalsContact SG-C 3.54Å; I333-T335 HydrophobicContact CG2-CG2 4.42Å; I333-F339 WeakPolarHBondContact O-CA 3.2Å; I333-H340 PolarHBondContact N-O 3.15Å; I333-H340 PolarHBondContact O-N 2.8Å; I333-E342 HydrophobicContact CD1-CG 3.92Å; I333-E342 HydrophobicContact CG1-CG 4.43Å
334	N	87.2	Confident	86.3	Confident	49 Å²	49	50.7 Å²	50.7	26%	0.262	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	133.7	173.8	-169.1	60.3	0	0	0	110.8	D316 I317 N318 E319 G338	D316-N334 PolarHBondContact OD2-ND2 3.3Å; I317-N334 PolarHBondContact O-OD1 2.74Å; N318-N334 VanDerWaalsContact CA-OD1 3.31Å; N318-N334 WeakPolarHBondContact CA-OD1 3.23Å; E319-N334 PolarHBondContact N-OD1 3.39Å; E319-N334 PolarHBondContact OE2-OD1 3Å; N334-G338 PolarHBondContact OD1-O 3.27Å
335	T	85.1	Confident	86.2	Confident	56 Å²	56	47.7 Å²	47.7	34%	0.344	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	150.1	-175.6	58.3	0	0	0	0	110.5	I333 P337 G338 F339	I333-T335 HydrophobicContact CG2-CG2 4.42Å; T335-P337 CarbonylContact O-C 3.47Å; T335-P337 WeakPolarHBondContact O-CA 3.46Å; T335-G338 CarbonylContact C-O 3.59Å; T335-G338 WeakPolarHBondContact CA-O 3.5Å; T335-G338 PolarHBondContact N-O 2.74Å; T335-G338 CarbonylContact O-C 3.53Å; T335-G338 PolarHBondContact O-N 2.79Å; T335-G338 PolarHBondContact OG1-O 2.94Å; T335-F339 PolarHBondContact OG1-N 2.76Å
336	M	81.5	Confident	86	Confident	134 Å²	134	59.4 Å²	59.4	66%	0.66	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	105.7	174.8	-174.3	-171	-84.3	0	0	109.6	L307 D316	L307-M336 HydrophobicContact CD2-CG 4.09Å; D316-M336 HydrophobicContact CB-CB 4.36Å; D316-M336 HydrophobicContact CB-CE 3.51Å; D316-M336 HydrophobicContact CB-CG 4.07Å; D316-M336 WeakPolarHBondContact OD1-CA 3.42Å
337	P	75.9	Confident	85.6	Confident	75 Å²	75	59.7 Å²	59.7	49%	0.487	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	cis	-93.9	141.5	-1.6	35.2	-31.6	0	0	0	114.6	T335 V356	T335-P337 CarbonylContact O-C 3.47Å; T335-P337 WeakPolarHBondContact O-CA 3.46Å; P337-V356 HydrophobicContact CB-CG1 4.09Å
338	G	87.3	Confident	85.5	Confident	0 Å²	0	60 Å²	60	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	107.3	-157.6	168.7	0	0	0	0	0	116.5	N334 T335 G355	N334-G338 PolarHBondContact OD1-O 3.27Å; T335-G338 CarbonylContact C-O 3.59Å; T335-G338 WeakPolarHBondContact CA-O 3.5Å; T335-G338 PolarHBondContact N-O 2.74Å; T335-G338 CarbonylContact O-C 3.53Å; T335-G338 PolarHBondContact O-N 2.79Å; T335-G338 PolarHBondContact OG1-O 2.94Å; G338-G355 CarbonylContact C-O 3.44Å; G338-G355 VanDerWaalsContact CA-O 3.25Å; G338-G355 WeakPolarHBondContact CA-O 3.32Å
339	F	89.4	Confident	85.8	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.009	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	161.4	176.8	76	-78.1	0	0	0	112.5	E319 P325 I333 T335 V353 S354 G355 Y360 A361	E319-F339 HydrophobicContact CB-CB 4.16Å; E319-F339 HydrophobicContact CB-CD1 3.81Å; E319-F339 HydrophobicContact CB-CG 4.16Å; E319-F339 HydrophobicContact CG-CD1 4.22Å; P325-F339 HydrophobicContact CB-CD2 4.08Å; P325-F339 HydrophobicContact CB-CE2 3.37Å; P325-F339 HydrophobicContact CB-CZ 3.62Å; P325-F339 HydrophobicContact CG-CD2 3.37Å; P325-F339 HydrophobicContact CG-CE1 4.47Å; P325-F339 HydrophobicContact CG-CE2 3.21Å; P325-F339 HydrophobicContact CG-CG 4.09Å; P325-F339 HydrophobicContact CG-CZ 3.81Å; I333-F339 WeakPolarHBondContact O-CA 3.2Å; T335-F339 PolarHBondContact OG1-N 2.76Å; F339-V353 HydrophobicContact CE2-CG1 4.22Å; F339-V353 HydrophobicContact CZ-CG1 4.13Å; F339-S354 VanDerWaalsContact O-CA 3.25Å; F339-S354 WeakPolarHBondContact O-CA 3.42Å; F339-S354 WeakPolarHBondContact O-CB 3.3Å; F339-G355 VanDerWaalsContact CD1-O 3.32Å; F339-G355 WeakPolarHBondContact CD1-O 3.3Å; F339-G355 PolarHBondContact N-O 3.42Å; F339-G355 PolarHBondContact O-N 3.3Å; F339-G355 VanDerWaalsContact O-N 3.1Å; F339-Y360 HydrophobicContact CE1-CD1 4.37Å; F339-A361 HydrophobicContact CD1-CB 3.97Å; F339-A361 HydrophobicContact CE1-CB 3.41Å; F339-A361 VanDerWaalsContact CE1-CB 3.41Å; F339-A361 HydrophobicContact CZ-CB 3.89Å
340	H	90.5	Very high	86.1	Confident	62 Å²	62	60.7 Å²	60.7	29%	0.287	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	130.8	172.5	172.3	59.7	0	0	0	110.9	I333	I333-H340 PolarHBondContact N-O 3.15Å; I333-H340 PolarHBondContact O-N 2.8Å
341	C	91.3	Very high	86.1	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	134.7	170.9	-62.6	0	0	0	0	111	C326 V353	C326-C341 WeakPolarHBondContact CA-SG 3.28Å; C326-C341 HydrophobicContact CB-CB 3.75Å; C326-C341 WeakPolarHBondContact CB-SG 3.31Å; C326-C341 WeakPolarHBondContact SG-CA 3.11Å; C326-C341 WeakPolarHBondContact SG-CB 3.38Å; C326-C341 CovalentContact SG-SG 2.03Å; C326-C341 PolarHBondContact SG-SG 2.87Å; C341-V353 PolarHBondContact N-O 3.17Å
342	E	88.9	Confident	86	Confident	90 Å²	90	67.5 Å²	67.5	42%	0.421	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-65.3	172.9	171.8	-68.4	-165	149	0	0	112.3	S331 I333 Q366	S331-E342 VanDerWaalsContact CB-OE2 3.27Å; S331-E342 WeakPolarHBondContact CB-OE2 3.25Å; S331-E342 PolarHBondContact O-N 2.83Å; I333-E342 HydrophobicContact CD1-CG 3.92Å; I333-E342 HydrophobicContact CG1-CG 4.43Å; E342-Q366 PolarHBondContact O-NE2 2.82Å
343	A	87.9	Confident	86	Confident	55 Å²	55	66.7 Å²	66.7	46%	0.455	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-60.9	158.7	177.8	0	0	0	0	0	111.9	Q352	A343-Q352 HydrophobicContact CB-CG 4.41Å
344	C	87.8	Confident	85.9	Confident	19 Å²	19	67 Å²	67	13%	0.128	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-56.1	147	172.8	-67	0	0	0	0	111.1	G350 C368	C344-G350 WeakPolarHBondContact SG-CA 3.3Å; C344-G350 PolarHBondContact SG-N 2.83Å; C344-G350 VanDerWaalsContact SG-N 3.39Å; C344-C368 VanDerWaalsContact CA-SG 3.55Å; C344-C368 HydrophobicContact CB-CB 3.77Å; C344-C368 WeakPolarHBondContact CB-SG 3.49Å; C344-C368 VanDerWaalsContact SG-CA 3.57Å; C344-C368 WeakPolarHBondContact SG-CB 3.46Å; C344-C368 CovalentContact SG-SG 2.03Å; C344-C368 PolarHBondContact SG-SG 2.76Å
345	P	85.4	Confident	86	Confident	37 Å²	37	65.4 Å²	65.4	24%	0.24	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-56	159.7	174.8	-22.9	33.6	0	0	0	112.2	F327 G347 Y348	F327-P345 HydrophobicContact CD1-CG 4.4Å; P345-G347 PolarHBondContact O-N 3.2Å; P345-Y348 HydrophobicContact CB-CD2 4.42Å; P345-Y348 PolarHBondContact O-N 2.82Å
346	R	83.1	Confident	86	Confident	247 Å²	247	65.9 Å²	65.9	93%	0.932	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	140	172.7	-69.3	-174.3	175.5	177.1	-1.4	110.1	Y348	R346-Y348 VanDerWaalsContact C-N 3.33Å
347	G	80.4	Confident	86	Confident	13 Å²	13	60.1 Å²	60.1	13%	0.134	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	-4.8	-172.5	0	0	0	0	0	114.3	P345 I371	P345-G347 PolarHBondContact O-N 3.2Å; G347-I371 PolarHBondContact O-N 2.89Å
348	Y	85.8	Confident	86.3	Confident	57 Å²	57	58.7 Å²	58.7	22%	0.224	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	149	178.4	-63.2	-100.7	0	0	0	112.3	F327 P345 R346 C368 N369 D370 V392	F327-Y348 HydrophobicContact CZ-CD1 4.39Å; F327-Y348 HydrophobicContact CZ-CE1 4.22Å; P345-Y348 HydrophobicContact CB-CD2 4.42Å; P345-Y348 PolarHBondContact O-N 2.82Å; R346-Y348 VanDerWaalsContact C-N 3.33Å; Y348-C368 HydrophobicContact CD1-CB 4.29Å; Y348-C368 HydrophobicContact CG-CB 4.41Å; Y348-N369 CarbonylContact C-O 3.52Å; Y348-N369 VanDerWaalsContact CA-O 3.24Å; Y348-N369 WeakPolarHBondContact CA-O 3.15Å; Y348-D370 HydrophobicContact CE1-CB 4.45Å; Y348-V392 HydrophobicContact CE1-CG1 4.38Å; Y348-V392 WeakPolarHBondContact OH-CG1 3.13Å
349	K	86.3	Confident	86.1	Confident	160 Å²	160	64.8 Å²	64.8	70%	0.696	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.6	133.3	175.1	-170.7	176.7	-178.8	179.7	0	110.5	N369 I371	K349-N369 PolarHBondContact N-O 2.8Å; K349-N369 PolarHBondContact O-N 3.36Å; K349-I371 HydrophobicContact CB-CD1 4.08Å; K349-I371 HydrophobicContact CB-CG1 3.83Å
350	G	84.3	Confident	85.8	Confident	36 Å²	36	70.1 Å²	70.1	37%	0.371	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.9	168.7	178.8	0	0	0	0	0	111.5	C344 V367	C344-G350 WeakPolarHBondContact SG-CA 3.3Å; C344-G350 PolarHBondContact SG-N 2.83Å; C344-G350 VanDerWaalsContact SG-N 3.39Å; G350-V367 WeakPolarHBondContact CA-O 3.43Å
351	T	83.7	Confident	85.4	Confident	110 Å²	110	67.2 Å²	67.2	68%	0.675	36%	0.356	S	S	*	.			trans	-85	140.1	-179.9	51.1	0	0	0	0	110.9
352	Q	86.2	Confident	85.1	Confident	113 Å²	113	74.3 Å²	74.3	53%	0.528	38%	0.383	S	S	.	.			trans	-70.4	140.9	171.1	-70.7	174.5	-32.2	0	0	110.5	A343	A343-Q352 HydrophobicContact CB-CG 4.41Å
353	V	87.9	Confident	84.8	Confident	18 Å²	18	74 Å²	74	11%	0.109	40%	0.396	C	S	.	.			trans	-112.7	133.9	-179.8	179.8	0	0	0	0	109.6	F339 C341 S364 Q366	F339-V353 HydrophobicContact CE2-CG1 4.22Å; F339-V353 HydrophobicContact CZ-CG1 4.13Å; C341-V353 PolarHBondContact N-O 3.17Å; V353-S364 WeakPolarHBondContact CG1-O 3.5Å; V353-Q366 HydrophobicContact CB-CB 4.47Å; V353-Q366 HydrophobicContact CG2-CB 3.91Å; V353-Q366 HydrophobicContact CG2-CG 4.35Å
354	S	88.8	Confident	84.6	Confident	74 Å²	74	73.1 Å²	73.1	52%	0.517	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	143.1	170.3	58.9	0	0	0	0	109.8	F339	F339-S354 VanDerWaalsContact O-CA 3.25Å; F339-S354 WeakPolarHBondContact O-CA 3.42Å; F339-S354 WeakPolarHBondContact O-CB 3.3Å
355	G	87.6	Confident	84.5	Confident	16 Å²	16	77.8 Å²	77.8	17%	0.165	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.7	178.1	178.5	0	0	0	0	0	112.7	G338 F339	G338-G355 CarbonylContact C-O 3.44Å; G338-G355 VanDerWaalsContact CA-O 3.25Å; G338-G355 WeakPolarHBondContact CA-O 3.32Å; F339-G355 VanDerWaalsContact CD1-O 3.32Å; F339-G355 WeakPolarHBondContact CD1-O 3.3Å; F339-G355 PolarHBondContact N-O 3.42Å; F339-G355 PolarHBondContact O-N 3.3Å; F339-G355 VanDerWaalsContact O-N 3.1Å
356	V	85.9	Confident	84.6	Confident	66 Å²	66	76.4 Å²	76.4	40%	0.4	40%	0.395	S	S	.	.	S	Bend	trans	-122.9	129.1	-174.3	-176.2	0	0	0	0	109.5	P305 P337	P305-V356 HydrophobicContact CB-CG1 4.35Å; P305-V356 WeakPolarHBondContact O-CG1 3.49Å; P337-V356 HydrophobicContact CB-CG1 4.09Å
357	G	82.1	Confident	84.8	Confident	12 Å²	12	69.1 Å²	69.1	12%	0.124	38%	0.378	C	S	.	.	S	Bend	trans	91.5	151.3	176.9	0	0	0	0	0	114.4	E319 D359 Y360 A361	E319-G357 WeakPolarHBondContact OE1-CA 3.29Å; E319-G357 PolarHBondContact OE1-N 2.85Å; G357-D359 VanDerWaalsContact C-N 3.35Å; G357-D359 PolarHBondContact O-N 2.92Å; G357-Y360 PolarHBondContact O-N 2.91Å; G357-A361 PolarHBondContact O-N 3.09Å
358	I	81.3	Confident	85.1	Confident	46 Å²	46	68.8 Å²	68.8	24%	0.236	37%	0.374	C	S	.	.	H	α-helix	trans	-67.1	-31.4	-171.4	-160.9	166.4	0	0	0	113.9	H322 A323 A361 R362	H322-I358 HydrophobicContact CB-CD1 3.71Å; A323-I358 HydrophobicContact CB-CG1 4.26Å; I358-A361 PolarHBondContact O-N 3.21Å; I358-R362 WeakPolarHBondContact O-CG 3.39Å; I358-R362 PolarHBondContact O-N 3.13Å
359	D	83.1	Confident	85.1	Confident	127 Å²	127	71.3 Å²	71.3	68%	0.679	39%	0.391	S	S	*	.	H	α-helix	trans	-70.2	-37.7	-179.6	-64	-35.9	0	0	0	111.2	G357 A363	G357-D359 VanDerWaalsContact C-N 3.35Å; G357-D359 PolarHBondContact O-N 2.92Å; D359-A363 WeakPolarHBondContact O-CB 3.5Å; D359-A363 PolarHBondContact O-N 2.75Å; D359-A363 VanDerWaalsContact O-N 3.16Å
360	Y	84.3	Confident	85.1	Confident	115 Å²	115	66.1 Å²	66.1	45%	0.451	37%	0.371	S	S	.	.	H	α-helix	trans	-69.2	-41.9	174.5	-170.5	-92.1	0	0	0	111.3	F339 G357 R362 A363 S364	F339-Y360 HydrophobicContact CE1-CD1 4.37Å; G357-Y360 PolarHBondContact O-N 2.91Å; Y360-R362 VanDerWaalsContact C-N 3.29Å; Y360-R362 PolarHBondContact O-N 2.89Å; Y360-A363 PolarHBondContact O-N 3.15Å; Y360-S364 PolarHBondContact O-N 3.49Å
361	A	82	Confident	85.2	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-60.7	-34.9	176.9	0	0	0	0	0	113	E319 A323 P325 F339 G357 I358	E319-A361 HydrophobicContact CB-CB 3.93Å; E319-A361 HydrophobicContact CG-CB 4.31Å; A323-A361 HydrophobicContact CB-CB 3.54Å; P325-A361 HydrophobicContact CB-CB 4.18Å; P325-A361 WeakPolarHBondContact CB-O 3.46Å; P325-A361 HydrophobicContact CG-CB 4.43Å; F339-A361 HydrophobicContact CD1-CB 3.97Å; F339-A361 HydrophobicContact CE1-CB 3.41Å; F339-A361 VanDerWaalsContact CE1-CB 3.41Å; F339-A361 HydrophobicContact CZ-CB 3.89Å; G357-A361 PolarHBondContact O-N 3.09Å; I358-A361 PolarHBondContact O-N 3.21Å
362	R	83.6	Confident	85.2	Confident	149 Å²	149	65.3 Å²	65.3	56%	0.562	35%	0.353	S	S	*	.	H	α-helix	trans	-75.3	-36	174.9	-75.2	-179.1	-178.9	164.2	1.5	113.6	A323 I358 Y360	A323-R362 HydrophobicContact CB-CG 3.91Å; I358-R362 WeakPolarHBondContact O-CG 3.39Å; I358-R362 PolarHBondContact O-N 3.13Å; Y360-R362 VanDerWaalsContact C-N 3.29Å; Y360-R362 PolarHBondContact O-N 2.89Å
363	A	82.9	Confident	85.3	Confident	84 Å²	84	61.4 Å²	61.4	69%	0.694	34%	0.335	S	S	*	.	H	α-helix	trans	-80.8	-31.9	-175.2	0	0	0	0	0	113.1	D359 Y360	D359-A363 WeakPolarHBondContact O-CB 3.5Å; D359-A363 PolarHBondContact O-N 2.75Å; D359-A363 VanDerWaalsContact O-N 3.16Å; Y360-A363 PolarHBondContact O-N 3.15Å
364	S	83.9	Confident	85.1	Confident	37 Å²	37	61.5 Å²	61.5	26%	0.259	34%	0.336	S	S	.	.	S	Bend	trans	-115.5	78.6	-174.1	-53.5	0	0	0	0	110	V353 Y360	V353-S364 WeakPolarHBondContact CG1-O 3.5Å; Y360-S364 PolarHBondContact O-N 3.49Å
365	K	85.9	Confident	84.8	Confident	117 Å²	117	64.3 Å²	64.3	51%	0.509	35%	0.345	S	S	.	.			trans	-82.3	144.6	174.6	-66.7	-163.1	171.4	-144.7	0	111.5	D324 P325 V367	D324-K365 PolarHBondContact O-NZ 2.93Å; P325-K365 CarbonylContact O-C 3.5Å; P325-K365 WeakPolarHBondContact O-CA 3.35Å; K365-V367 PolarHBondContact O-N 3.02Å
366	Q	87.3	Confident	84.4	Confident	8 Å²	8	68 Å²	68	4%	0.037	36%	0.362	C	S	.	.			trans	-69.2	128.9	174.7	-174.4	177	31.1	0	0	110.9	P325 F327 S330 E342 V353	P325-Q366 PolarHBondContact O-N 3.38Å; F327-Q366 HydrophobicContact CB-CB 4.46Å; F327-Q366 HydrophobicContact CB-CG 4.31Å; S330-Q366 PolarHBondContact OG-OE1 2.91Å; S330-Q366 VanDerWaalsContact OG-OE1 3.05Å; E342-Q366 PolarHBondContact O-NE2 2.82Å; V353-Q366 HydrophobicContact CB-CB 4.47Å; V353-Q366 HydrophobicContact CG2-CB 3.91Å; V353-Q366 HydrophobicContact CG2-CG 4.35Å
367	V	87.1	Confident	83.7	Confident	93 Å²	93	68.7 Å²	68.7	56%	0.564	38%	0.382	S	S	*	.			trans	-113	123.2	176.2	-177.7	0	0	0	0	108.6	G350 K365	G350-V367 WeakPolarHBondContact CA-O 3.43Å; K365-V367 PolarHBondContact O-N 3.02Å
368	C	87.5	Confident	83.6	Confident	7 Å²	7	73.4 Å²	73.4	5%	0.047	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	120.1	176.6	-64.8	0	0	0	0	108.1	F327 C344 Y348	F327-C368 HydrophobicContact CB-CB 4.23Å; F327-C368 VanDerWaalsContact CB-SG 3.55Å; F327-C368 HydrophobicContact CD1-CB 3.83Å; F327-C368 HydrophobicContact CD2-CB 3.78Å; F327-C368 HydrophobicContact CE1-CB 4.08Å; F327-C368 HydrophobicContact CE2-CB 4.04Å; F327-C368 HydrophobicContact CG-CB 3.67Å; F327-C368 HydrophobicContact CZ-CB 4.18Å; C344-C368 VanDerWaalsContact CA-SG 3.55Å; C344-C368 HydrophobicContact CB-CB 3.77Å; C344-C368 WeakPolarHBondContact CB-SG 3.49Å; C344-C368 VanDerWaalsContact SG-CA 3.57Å; C344-C368 WeakPolarHBondContact SG-CB 3.46Å; C344-C368 CovalentContact SG-SG 2.03Å; C344-C368 PolarHBondContact SG-SG 2.76Å; Y348-C368 HydrophobicContact CD1-CB 4.29Å; Y348-C368 HydrophobicContact CG-CB 4.41Å
369	N	86	Confident	83.7	Confident	109 Å²	109	72.5 Å²	72.5	58%	0.583	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	145.7	177.1	-64.8	-25.8	0	0	0	109.6	Y348 K349	Y348-N369 CarbonylContact C-O 3.52Å; Y348-N369 VanDerWaalsContact CA-O 3.24Å; Y348-N369 WeakPolarHBondContact CA-O 3.15Å; K349-N369 PolarHBondContact N-O 2.8Å; K349-N369 PolarHBondContact O-N 3.36Å
370	D	86	Confident	83.3	Confident	52 Å²	52	67 Å²	67	28%	0.278	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	140.9	174.7	-174.9	52.8	0	0	0	111.8	Y348 N390 G393	Y348-D370 HydrophobicContact CE1-CB 4.45Å; D370-N390 PolarHBondContact OD2-ND2 3.02Å; D370-G393 WeakPolarHBondContact OD1-CA 3.47Å; D370-G393 PolarHBondContact OD1-N 2.95Å
371	I	85.9	Confident	83	Confident	66 Å²	66	64.1 Å²	64.1	34%	0.338	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-92.6	118.5	172.9	-62.4	173.1	0	0	0	107	G347 K349 E373 N390	G347-I371 PolarHBondContact O-N 2.89Å; K349-I371 HydrophobicContact CB-CD1 4.08Å; K349-I371 HydrophobicContact CB-CG1 3.83Å; I371-E373 HydrophobicContact CG2-CG 4.12Å; I371-E373 PolarHBondContact O-N 3.45Å; I371-E373 VanDerWaalsContact O-OE2 3.06Å; I371-N390 PolarHBondContact O-OD1 3.09Å
372	D	84.3	Confident	83.1	Confident	62 Å²	62	64.4 Å²	64.4	33%	0.332	38%	0.38	S	S	.	.			trans	-77.7	93.2	170.4	-174.1	-12.3	0	0	0	109.8	C374 N375 N390	D372-C374 PolarHBondContact O-N 3.17Å; D372-C374 WeakPolarHBondContact OD1-CB 3.12Å; D372-C374 PolarHBondContact OD1-N 2.97Å; D372-C374 VanDerWaalsContact OD1-N 3.14Å; D372-N375 HydrophobicContact CB-CB 4.48Å; D372-N375 PolarHBondContact O-N 3Å; D372-N375 PolarHBondContact OD1-N 3.37Å; D372-N375 PolarHBondContact OD2-ND2 3.28Å; D372-N390 WeakPolarHBondContact OD1-CB 3.38Å
373	E	87.4	Confident	83	Confident	31 Å²	31	58.9 Å²	58.9	15%	0.145	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-69	-22.2	-179.1	-60.4	95.7	171.9	0	0	112.5	I371 N375 D376 G380 N390 S394 F395	I371-E373 HydrophobicContact CG2-CG 4.12Å; I371-E373 PolarHBondContact O-N 3.45Å; I371-E373 VanDerWaalsContact O-OE2 3.06Å; E373-N375 PolarHBondContact O-N 2.86Å; E373-D376 WeakPolarHBondContact O-CB 3.27Å; E373-D376 PolarHBondContact O-N 3.04Å; E373-D376 VanDerWaalsContact O-OD1 3.13Å; E373-G380 WeakPolarHBondContact O-CA 3.35Å; E373-G380 PolarHBondContact O-N 2.85Å; E373-G380 VanDerWaalsContact O-N 3.09Å; E373-N390 PolarHBondContact OE2-OD1 2.97Å; E373-S394 VanDerWaalsContact OE2-C 3.23Å; E373-F395 HydrophobicContact CB-CB 4.17Å; E373-F395 HydrophobicContact CB-CD1 3.44Å; E373-F395 VanDerWaalsContact CB-CD1 3.44Å; E373-F395 HydrophobicContact CB-CE1 4.03Å; E373-F395 HydrophobicContact CB-CG 3.88Å; E373-F395 HydrophobicContact CG-CD1 3.68Å; E373-F395 HydrophobicContact CG-CE1 4.18Å; E373-F395 WeakPolarHBondContact OE2-CD1 3.22Å; E373-F395 PolarHBondContact OE2-N 3.33Å
374	C	84.1	Confident	83	Confident	20 Å²	20	59.2 Å²	59.2	14%	0.135	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-70.2	-22.8	178.2	-61.4	0	0	0	0	112.7	D372 C388 T389 N390	D372-C374 PolarHBondContact O-N 3.17Å; D372-C374 WeakPolarHBondContact OD1-CB 3.12Å; D372-C374 PolarHBondContact OD1-N 2.97Å; D372-C374 VanDerWaalsContact OD1-N 3.14Å; C374-C388 WeakPolarHBondContact CA-SG 3.44Å; C374-C388 HydrophobicContact CB-CB 3.72Å; C374-C388 WeakPolarHBondContact CB-SG 2.94Å; C374-C388 WeakPolarHBondContact SG-CB 3.45Å; C374-C388 CovalentContact SG-SG 2.04Å; C374-C388 PolarHBondContact SG-SG 3Å; C374-T389 VanDerWaalsContact SG-C 3.55Å; C374-T389 PolarHBondContact SG-N 3.42Å; C374-N390 PolarHBondContact SG-N 2.83Å; C374-N390 VanDerWaalsContact SG-N 3.43Å
375	N	83.2	Confident	82.8	Confident	134 Å²	134	59.9 Å²	59.9	72%	0.717	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-98.6	19.6	-179.5	-82.2	-38.1	0	0	0	113.7	D372 E373 G377	D372-N375 HydrophobicContact CB-CB 4.48Å; D372-N375 PolarHBondContact O-N 3Å; D372-N375 PolarHBondContact OD1-N 3.37Å; D372-N375 PolarHBondContact OD2-ND2 3.28Å; E373-N375 PolarHBondContact O-N 2.86Å; N375-G377 VanDerWaalsContact C-N 3.28Å; N375-G377 PolarHBondContact O-N 3.2Å
376	D	77.6	Confident	82.8	Confident	94 Å²	94	54.4 Å²	54.4	50%	0.503	33%	0.334	S	S	.	.	S	Bend	trans	-78.4	-5.2	-179.5	74.2	-15.2	0	0	0	114.9	E373 N378 N379 G380	E373-D376 WeakPolarHBondContact O-CB 3.27Å; E373-D376 PolarHBondContact O-N 3.04Å; E373-D376 VanDerWaalsContact O-OD1 3.13Å; D376-N378 WeakPolarHBondContact OD1-CA 3.2Å; D376-N378 PolarHBondContact OD1-N 2.84Å; D376-N379 PolarHBondContact OD1-N 2.69Å; D376-N379 VanDerWaalsContact OD1-N 3.15Å; D376-G380 PolarHBondContact OD1-N 3.26Å
377	G	73.3	Confident	82.6	Confident	80 Å²	80	57.6 Å²	57.6	83%	0.825	35%	0.35	S	S	*	.	S	Bend	trans	87.7	-1	-175.6	0	0	0	0	0	114.7	N375	N375-G377 VanDerWaalsContact C-N 3.28Å; N375-G377 PolarHBondContact O-N 3.2Å
378	N	79.6	Confident	82.6	Confident	111 Å²	111	54.2 Å²	54.2	59%	0.594	33%	0.33	S	S	*	.	S	Bend	trans	-129.3	23.1	177.2	-166	45.7	0	0	0	112.2	D376 G380 G381	D376-N378 WeakPolarHBondContact OD1-CA 3.2Å; D376-N378 PolarHBondContact OD1-N 2.84Å; N378-G380 PolarHBondContact O-N 2.96Å; N378-G381 PolarHBondContact O-N 2.78Å
379	N	81.8	Confident	82.6	Confident	27 Å²	27	57 Å²	57	14%	0.144	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	54	36	179.2	-160.8	39	0	0	0	112.8	D376 G381 C382 D383 S386 C388	D376-N379 PolarHBondContact OD1-N 2.69Å; D376-N379 VanDerWaalsContact OD1-N 3.15Å; N379-G381 PolarHBondContact O-N 2.75Å; N379-G381 VanDerWaalsContact O-N 3.12Å; N379-C382 VanDerWaalsContact O-CB 3.23Å; N379-C382 WeakPolarHBondContact O-CB 3.25Å; N379-C382 PolarHBondContact O-N 2.68Å; N379-C382 PolarHBondContact O-SG 3.17Å; N379-D383 PolarHBondContact ND2-O 2.85Å; N379-S386 PolarHBondContact ND2-O 3.38Å; N379-C388 WeakPolarHBondContact OD1-CB 3.37Å
380	G	74.9	Confident	82.5	Confident	12 Å²	12	54.5 Å²	54.5	12%	0.124	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	66.3	8.5	-175.8	0	0	0	0	0	114.7	E373 D376 N378 C382 F395	E373-G380 WeakPolarHBondContact O-CA 3.35Å; E373-G380 PolarHBondContact O-N 2.85Å; E373-G380 VanDerWaalsContact O-N 3.09Å; D376-G380 PolarHBondContact OD1-N 3.26Å; N378-G380 PolarHBondContact O-N 2.96Å; G380-C382 VanDerWaalsContact C-N 3.33Å; G380-F395 WeakPolarHBondContact O-CE2 3.43Å; G380-F395 WeakPolarHBondContact O-CZ 3.34Å
381	G	78.1	Confident	82.4	Confident	53 Å²	53	54.4 Å²	54.4	55%	0.546	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	83.3	6	-169.9	0	0	0	0	0	114.2	N378 N379	N378-G381 PolarHBondContact O-N 2.78Å; N379-G381 PolarHBondContact O-N 2.75Å; N379-G381 VanDerWaalsContact O-N 3.12Å
382	C	84.4	Confident	82.3	Confident	6 Å²	6	57.1 Å²	57.1	4%	0.041	36%	0.355	C	S	.	.	S	Bend	trans	-67.2	158.6	164.5	-52.8	0	0	0	0	110.3	N379 G380 S386 C397	N379-C382 VanDerWaalsContact O-CB 3.23Å; N379-C382 WeakPolarHBondContact O-CB 3.25Å; N379-C382 PolarHBondContact O-N 2.68Å; N379-C382 PolarHBondContact O-SG 3.17Å; G380-C382 VanDerWaalsContact C-N 3.33Å; C382-S386 WeakPolarHBondContact CB-OG 3.32Å; C382-C397 VanDerWaalsContact CA-SG 3.55Å; C382-C397 HydrophobicContact CB-CB 3.76Å; C382-C397 WeakPolarHBondContact CB-SG 3.35Å; C382-C397 VanDerWaalsContact SG-CA 3.56Å; C382-C397 WeakPolarHBondContact SG-CB 3.18Å; C382-C397 CovalentContact SG-SG 2.02Å; C382-C397 PolarHBondContact SG-SG 3.21Å
383	D	82.7	Confident	82	Confident	33 Å²	33	55.1 Å²	55.1	18%	0.176	35%	0.349	C	S	.	.			trans	-52.8	138.4	172.9	-176.8	-76.4	0	0	0	110.4	N379 N385 S386 G411 C412	N379-D383 PolarHBondContact ND2-O 2.85Å; D383-N385 PolarHBondContact O-N 3.36Å; D383-N385 VanDerWaalsContact O-N 3.09Å; D383-N385 PolarHBondContact OD1-N 3.48Å; D383-S386 PolarHBondContact N-OG 2.87Å; D383-S386 VanDerWaalsContact N-OG 3.15Å; D383-S386 PolarHBondContact O-N 3.12Å; D383-S386 PolarHBondContact O-OG 2.93Å; D383-G411 WeakPolarHBondContact OD2-CA 3.49Å; D383-C412 WeakPolarHBondContact OD1-CB 3.27Å; D383-C412 PolarHBondContact OD2-N 2.86Å
384	P	81.2	Confident	81.9	Confident	91 Å²	91	56.5 Å²	56.5	59%	0.591	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-30.5	-176.6	-26.3	34.2	0	0	0	114.3
385	N	81.6	Confident	82	Confident	52 Å²	52	58.5 Å²	58.5	28%	0.278	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	20	179	-56.8	-46.2	0	0	0	112.1	D383 C400 R401 F404 C412	D383-N385 PolarHBondContact O-N 3.36Å; D383-N385 VanDerWaalsContact O-N 3.09Å; D383-N385 PolarHBondContact OD1-N 3.48Å; N385-C400 CarbonylContact O-C 3.6Å; N385-C400 WeakPolarHBondContact O-CA 3.36Å; N385-R401 WeakPolarHBondContact O-CB 3.47Å; N385-R401 WeakPolarHBondContact O-CG 3.31Å; N385-R401 PolarHBondContact O-N 2.91Å; N385-F404 HydrophobicContact CB-CB 4.39Å; N385-F404 HydrophobicContact CB-CD1 3.85Å; N385-F404 HydrophobicContact CB-CD2 4.14Å; N385-F404 HydrophobicContact CB-CE1 4.15Å; N385-F404 HydrophobicContact CB-CE2 4.42Å; N385-F404 HydrophobicContact CB-CG 3.86Å; N385-F404 HydrophobicContact CB-CZ 4.43Å; N385-F404 VanDerWaalsContact ND2-CE1 3.28Å; N385-F404 WeakPolarHBondContact ND2-CE1 3.26Å; N385-C412 HydrophobicContact CB-CB 3.71Å
386	S	84.1	Confident	82.1	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.014	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	157.8	171.2	68	0	0	0	0	112.3	N379 C382 D383 P399 R401 Q408	N379-S386 PolarHBondContact ND2-O 3.38Å; C382-S386 WeakPolarHBondContact CB-OG 3.32Å; D383-S386 PolarHBondContact N-OG 2.87Å; D383-S386 VanDerWaalsContact N-OG 3.15Å; D383-S386 PolarHBondContact O-N 3.12Å; D383-S386 PolarHBondContact O-OG 2.93Å; S386-P399 WeakPolarHBondContact CA-O 3.49Å; S386-R401 PolarHBondContact O-NE 2.8Å; S386-Q408 PolarHBondContact OG-NE2 3.26Å
387	I	84.6	Confident	82.6	Confident	75 Å²	75	56.2 Å²	56.2	39%	0.385	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	121.7	-180	-59.5	174.5	0	0	0	109.1	T389 G398 P399 R401	I387-T389 HydrophobicContact CG2-CG2 4.24Å; I387-G398 WeakPolarHBondContact O-CA 3.37Å; I387-G398 PolarHBondContact O-N 3.08Å; I387-P399 HydrophobicContact CD1-CG 4.47Å; I387-P399 PolarHBondContact N-O 3.41Å; I387-R401 HydrophobicContact CG1-CG 3.95Å
388	C	87	Confident	82.9	Confident	21 Å²	21	53.6 Å²	53.6	14%	0.142	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	130.9	170.6	-174.3	0	0	0	0	109.9	C374 N379	C374-C388 WeakPolarHBondContact CA-SG 3.44Å; C374-C388 HydrophobicContact CB-CB 3.72Å; C374-C388 WeakPolarHBondContact CB-SG 2.94Å; C374-C388 WeakPolarHBondContact SG-CB 3.45Å; C374-C388 CovalentContact SG-SG 2.04Å; C374-C388 PolarHBondContact SG-SG 3Å; N379-C388 WeakPolarHBondContact OD1-CB 3.37Å
389	T	86.8	Confident	83	Confident	65 Å²	65	53 Å²	53	40%	0.399	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	116.6	176.6	52.8	0	0	0	0	110.1	C374 I387 F395 K396	C374-T389 VanDerWaalsContact SG-C 3.55Å; C374-T389 PolarHBondContact SG-N 3.42Å; I387-T389 HydrophobicContact CG2-CG2 4.24Å; T389-F395 WeakPolarHBondContact O-CA 3.14Å; T389-K396 PolarHBondContact N-O 3.37Å; T389-K396 PolarHBondContact O-N 3.11Å; T389-K396 PolarHBondContact OG1-O 3.45Å
390	N	83.9	Confident	82.9	Confident	58 Å²	58	52.8 Å²	52.8	31%	0.31	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	136	177.1	-171.9	44.3	0	0	0	110.5	D370 I371 D372 E373 C374	D370-N390 PolarHBondContact OD2-ND2 3.02Å; I371-N390 PolarHBondContact O-OD1 3.09Å; D372-N390 WeakPolarHBondContact OD1-CB 3.38Å; E373-N390 PolarHBondContact OE2-OD1 2.97Å; C374-N390 PolarHBondContact SG-N 2.83Å; C374-N390 VanDerWaalsContact SG-N 3.43Å
391	T	84.8	Confident	82.9	Confident	50 Å²	50	57.8 Å²	57.8	31%	0.307	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	159.7	176.6	63.8	0	0	0	0	109.8	G393 S394 K396	T391-G393 PolarHBondContact O-N 2.95Å; T391-S394 CarbonylContact C-O 3.49Å; T391-S394 WeakPolarHBondContact CA-O 3.26Å; T391-S394 WeakPolarHBondContact CB-O 3.08Å; T391-S394 PolarHBondContact N-O 3.31Å; T391-S394 CarbonylContact O-C 3.53Å; T391-S394 PolarHBondContact O-N 3.2Å; T391-S394 VanDerWaalsContact O-N 3.16Å; T391-S394 VanDerWaalsContact OG1-C 3.26Å; T391-S394 PolarHBondContact OG1-O 2.79Å; T391-K396 HydrophobicContact CG2-CD 4.48Å; T391-K396 HydrophobicContact CG2-CG 4.37Å
392	V	83.5	Confident	82	Confident	122 Å²	122	63.9 Å²	63.9	74%	0.739	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	108	-176.2	177.5	0	0	0	0	110.3	Y348	Y348-V392 HydrophobicContact CE1-CG1 4.38Å; Y348-V392 WeakPolarHBondContact OH-CG1 3.13Å
393	G	78.2	Confident	80.8	Confident	20 Å²	20	65.7 Å²	65.7	21%	0.206	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.6	6.8	-178.6	0	0	0	0	0	116	D370 T391	D370-G393 WeakPolarHBondContact OD1-CA 3.47Å; D370-G393 PolarHBondContact OD1-N 2.95Å; T391-G393 PolarHBondContact O-N 2.95Å
394	S	83.9	Confident	80.1	Confident	60 Å²	60	67.1 Å²	67.1	42%	0.42	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.8	174	-178.6	-172.7	0	0	0	0	111.2	E373 T391	E373-S394 VanDerWaalsContact OE2-C 3.23Å; T391-S394 CarbonylContact C-O 3.49Å; T391-S394 WeakPolarHBondContact CA-O 3.26Å; T391-S394 WeakPolarHBondContact CB-O 3.08Å; T391-S394 PolarHBondContact N-O 3.31Å; T391-S394 CarbonylContact O-C 3.53Å; T391-S394 PolarHBondContact O-N 3.2Å; T391-S394 VanDerWaalsContact O-N 3.16Å; T391-S394 VanDerWaalsContact OG1-C 3.26Å; T391-S394 PolarHBondContact OG1-O 2.79Å
395	F	87	Confident	79.3	Confident	63 Å²	63	68.7 Å²	68.7	28%	0.276	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	163.4	168.1	65.1	-74	0	0	0	111.5	E373 G380 T389	E373-F395 HydrophobicContact CB-CB 4.17Å; E373-F395 HydrophobicContact CB-CD1 3.44Å; E373-F395 VanDerWaalsContact CB-CD1 3.44Å; E373-F395 HydrophobicContact CB-CE1 4.03Å; E373-F395 HydrophobicContact CB-CG 3.88Å; E373-F395 HydrophobicContact CG-CD1 3.68Å; E373-F395 HydrophobicContact CG-CE1 4.18Å; E373-F395 WeakPolarHBondContact OE2-CD1 3.22Å; E373-F395 PolarHBondContact OE2-N 3.33Å; G380-F395 WeakPolarHBondContact O-CE2 3.43Å; G380-F395 WeakPolarHBondContact O-CZ 3.34Å; T389-F395 WeakPolarHBondContact O-CA 3.14Å
396	K	86.3	Confident	78.8	Confident	139 Å²	139	68.5 Å²	68.5	60%	0.604	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.1	132.8	170.3	-68.6	-176.2	-179.1	-179.2	0	109.8	T389 T391	T389-K396 PolarHBondContact N-O 3.37Å; T389-K396 PolarHBondContact O-N 3.11Å; T389-K396 PolarHBondContact OG1-O 3.45Å; T391-K396 HydrophobicContact CG2-CD 4.48Å; T391-K396 HydrophobicContact CG2-CG 4.37Å
397	C	86.6	Confident	78.5	Confident	40 Å²	40	71.7 Å²	71.7	27%	0.27	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	126.3	168.6	-49.1	0	0	0	0	110.5	C382 Q408	C382-C397 VanDerWaalsContact CA-SG 3.55Å; C382-C397 HydrophobicContact CB-CB 3.76Å; C382-C397 WeakPolarHBondContact CB-SG 3.35Å; C382-C397 VanDerWaalsContact SG-CA 3.56Å; C382-C397 WeakPolarHBondContact SG-CB 3.18Å; C382-C397 CovalentContact SG-SG 2.02Å; C382-C397 PolarHBondContact SG-SG 3.21Å; C397-Q408 HydrophobicContact CB-CG 4.27Å; C397-Q408 PolarHBondContact SG-NE2 3.47Å; C397-Q408 VanDerWaalsContact SG-NE2 3.35Å; C397-Q408 PolarHBondContact SG-OE1 3.48Å
398	G	80.3	Confident	78	Confident	26 Å²	26	72.8 Å²	72.8	27%	0.268	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-163.8	176.5	0	0	0	0	0	113	I387	I387-G398 WeakPolarHBondContact O-CA 3.37Å; I387-G398 PolarHBondContact O-N 3.08Å
399	P	81.6	Confident	77.3	Confident	97 Å²	97	77 Å²	77	63%	0.63	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	167.8	-176.7	28.1	-34.2	0	0	0	112.4	S386 I387	S386-P399 WeakPolarHBondContact CA-O 3.49Å; I387-P399 HydrophobicContact CD1-CG 4.47Å; I387-P399 PolarHBondContact N-O 3.41Å
400	C	80.6	Confident	76.6	Confident	23 Å²	23	81.2 Å²	81.2	16%	0.155	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	145.5	169.3	-62.7	0	0	0	0	110.3	N385 F404 G406 C412	N385-C400 CarbonylContact O-C 3.6Å; N385-C400 WeakPolarHBondContact O-CA 3.36Å; C400-F404 HydrophobicContact CB-CB 4.01Å; C400-F404 WeakPolarHBondContact CB-O 3.48Å; C400-G406 VanDerWaalsContact SG-C 3.59Å; C400-G406 PolarHBondContact SG-O 2.97Å; C400-C412 WeakPolarHBondContact CA-SG 3.39Å; C400-C412 HydrophobicContact CB-CB 3.78Å; C400-C412 WeakPolarHBondContact CB-SG 3.3Å; C400-C412 VanDerWaalsContact SG-CA 3.53Å; C400-C412 WeakPolarHBondContact SG-CB 3.28Å; C400-C412 CovalentContact SG-SG 2.03Å; C400-C412 PolarHBondContact SG-SG 2.84Å
401	R	73.6	Confident	76	Confident	118 Å²	118	79.2 Å²	79.2	45%	0.445	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-64.9	154.6	174.4	-65.9	175.7	-173.7	-177.4	0.8	109.2	N385 S386 I387 G403 F404	N385-R401 WeakPolarHBondContact O-CB 3.47Å; N385-R401 WeakPolarHBondContact O-CG 3.31Å; N385-R401 PolarHBondContact O-N 2.91Å; S386-R401 PolarHBondContact O-NE 2.8Å; I387-R401 HydrophobicContact CG1-CG 3.95Å; R401-G403 PolarHBondContact O-N 3.02Å; R401-F404 PolarHBondContact O-N 2.86Å
402	L	60	Low	75.6	Confident	180 Å²	180	77.2 Å²	77.2	94%	0.942	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	131.1	176.5	-72.1	166.8	0	0	0	111.3
403	G	58.3	Low	75	Confident	44 Å²	44	76.6 Å²	76.6	45%	0.454	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	5	-174.8	0	0	0	0	0	115.2	R401 A415	R401-G403 PolarHBondContact O-N 3.02Å; G403-A415 WeakPolarHBondContact O-CB 3.08Å; G403-A415 PolarHBondContact O-N 2.04Å
404	F	67.9	Low	74	Confident	64 Å²	64	79.3 Å²	79.3	28%	0.281	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	135.8	175.3	-64.4	-99.3	0	0	0	111.6	N385 C400 R401 C412 L413 P414	N385-F404 HydrophobicContact CB-CB 4.39Å; N385-F404 HydrophobicContact CB-CD1 3.85Å; N385-F404 HydrophobicContact CB-CD2 4.14Å; N385-F404 HydrophobicContact CB-CE1 4.15Å; N385-F404 HydrophobicContact CB-CE2 4.42Å; N385-F404 HydrophobicContact CB-CG 3.86Å; N385-F404 HydrophobicContact CB-CZ 4.43Å; N385-F404 VanDerWaalsContact ND2-CE1 3.28Å; N385-F404 WeakPolarHBondContact ND2-CE1 3.26Å; C400-F404 HydrophobicContact CB-CB 4.01Å; C400-F404 WeakPolarHBondContact CB-O 3.48Å; R401-F404 PolarHBondContact O-N 2.86Å; F404-C412 HydrophobicContact CB-CB 4Å; F404-C412 WeakPolarHBondContact CD1-O 3.18Å; F404-L413 CarbonylContact C-O 3.57Å; F404-L413 WeakPolarHBondContact CA-O 3.49Å; F404-L413 WeakPolarHBondContact CB-O 3.44Å; F404-P414 HydrophobicContact CD1-CB 4.48Å; F404-P414 HydrophobicContact CD1-CG 4.4Å; F404-P414 HydrophobicContact CE1-CB 4.29Å; F404-P414 HydrophobicContact CE1-CG 4.01Å
405	L	64.9	Low	72.7	Confident	124 Å²	124	77.3 Å²	77.3	65%	0.649	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	141.5	177.5	-70.4	166.6	0	0	0	109.8	L413 A415	L405-L413 PolarHBondContact N-O 3.29Å; L405-L413 PolarHBondContact O-N 2.78Å; L405-A415 HydrophobicContact CD1-CB 3.87Å; L405-A415 HydrophobicContact CG-CB 3.95Å
406	G	71.8	Confident	71.4	Confident	47 Å²	47	82.5 Å²	82.5	49%	0.485	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	142.5	-161.6	178.3	0	0	0	0	0	112.8	C400	C400-G406 VanDerWaalsContact SG-C 3.59Å; C400-G406 PolarHBondContact SG-O 2.97Å
407	N	76.4	Confident	70.2	Confident	70 Å²	70	78 Å²	78	37%	0.374	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	175.7	179.3	63.3	22.9	0	0	0	110.4	S409 Q410 G411	N407-S409 PolarHBondContact O-N 3.29Å; N407-S409 VanDerWaalsContact O-N 3.1Å; N407-S409 PolarHBondContact OD1-N 2.04Å; N407-S409 PolarHBondContact OD1-OG 3.37Å; N407-S409 VanDerWaalsContact OD1-OG 3.11Å; N407-Q410 PolarHBondContact O-N 2.87Å; N407-Q410 WeakPolarHBondContact OD1-CB 3.04Å; N407-Q410 PolarHBondContact OD1-N 2.74Å; N407-G411 CarbonylContact O-C 3.28Å; N407-G411 VanDerWaalsContact O-CA 3.31Å; N407-G411 WeakPolarHBondContact O-CA 3.3Å; N407-G411 PolarHBondContact O-N 3.28Å
408	Q	74.8	Confident	69.3	Low	98 Å²	98	77.6 Å²	77.6	46%	0.458	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.1	178.3	-67.4	-105	-60.3	0	0	114.2	S386 C397	S386-Q408 PolarHBondContact OG-NE2 3.26Å; C397-Q408 HydrophobicContact CB-CG 4.27Å; C397-Q408 PolarHBondContact SG-NE2 3.47Å; C397-Q408 VanDerWaalsContact SG-NE2 3.35Å; C397-Q408 PolarHBondContact SG-OE1 3.48Å
409	S	72.6	Confident	68.4	Low	110 Å²	110	83.9 Å²	83.9	77%	0.769	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-33.1	-173.8	9.3	0	0	0	0	113.7	N407	N407-S409 PolarHBondContact O-N 3.29Å; N407-S409 VanDerWaalsContact O-N 3.1Å; N407-S409 PolarHBondContact OD1-N 2.04Å; N407-S409 PolarHBondContact OD1-OG 3.37Å; N407-S409 VanDerWaalsContact OD1-OG 3.11Å
410	Q	70.9	Confident	67.4	Low	153 Å²	153	81.9 Å²	81.9	72%	0.715	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-15.1	176.8	-66.9	-174.1	-22.6	0	0	112.4	N407	N407-Q410 PolarHBondContact O-N 2.87Å; N407-Q410 WeakPolarHBondContact OD1-CB 3.04Å; N407-Q410 PolarHBondContact OD1-N 2.74Å
411	G	71.3	Confident	66.4	Low	15 Å²	15	87 Å²	87	16%	0.155	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	85.4	157.5	-171.6	0	0	0	0	0	111.8	D383 N407 L413	D383-G411 WeakPolarHBondContact OD2-CA 3.49Å; N407-G411 CarbonylContact O-C 3.28Å; N407-G411 VanDerWaalsContact O-CA 3.31Å; N407-G411 WeakPolarHBondContact O-CA 3.3Å; N407-G411 PolarHBondContact O-N 3.28Å; G411-L413 PolarHBondContact O-N 2.84Å
412	C	77.6	Confident	65.7	Low	8 Å²	8	85.7 Å²	85.7	5%	0.054	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	104.9	174.6	-69	0	0	0	0	109	D383 N385 C400 F404	D383-C412 WeakPolarHBondContact OD1-CB 3.27Å; D383-C412 PolarHBondContact OD2-N 2.86Å; N385-C412 HydrophobicContact CB-CB 3.71Å; C400-C412 WeakPolarHBondContact CA-SG 3.39Å; C400-C412 HydrophobicContact CB-CB 3.78Å; C400-C412 WeakPolarHBondContact CB-SG 3.3Å; C400-C412 VanDerWaalsContact SG-CA 3.53Å; C400-C412 WeakPolarHBondContact SG-CB 3.28Å; C400-C412 CovalentContact SG-SG 2.03Å; C400-C412 PolarHBondContact SG-SG 2.84Å; F404-C412 HydrophobicContact CB-CB 4Å; F404-C412 WeakPolarHBondContact CD1-O 3.18Å
413	L	70.9	Confident	65.9	Low	110 Å²	110	82.2 Å²	82.2	58%	0.576	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	149.1	179.7	-64.8	172.2	0	0	0	110.1	F404 L405 G411 A415	F404-L413 CarbonylContact C-O 3.57Å; F404-L413 WeakPolarHBondContact CA-O 3.49Å; F404-L413 WeakPolarHBondContact CB-O 3.44Å; L405-L413 PolarHBondContact N-O 3.29Å; L405-L413 PolarHBondContact O-N 2.78Å; G411-L413 PolarHBondContact O-N 2.84Å; L413-A415 PolarHBondContact O-N 3.24Å
414	P	56.9	Low	66.6	Low	77 Å²	77	81.7 Å²	81.7	50%	0.5	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	128.2	175.4	-18.1	29.2	0	0	0	110	F404 R416	F404-P414 HydrophobicContact CD1-CB 4.48Å; F404-P414 HydrophobicContact CD1-CG 4.4Å; F404-P414 HydrophobicContact CE1-CB 4.29Å; F404-P414 HydrophobicContact CE1-CG 4.01Å; P414-R416 PolarHBondContact O-N 3.38Å
415	A	56.7	Low	67.2	Low	18 Å²	18	80.3 Å²	80.3	15%	0.149	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-62.4	130.6	171	0	0	0	0	0	108.2	G403 L405 L413 T417	G403-A415 WeakPolarHBondContact O-CB 3.08Å; G403-A415 PolarHBondContact O-N 2.04Å; L405-A415 HydrophobicContact CD1-CB 3.87Å; L405-A415 HydrophobicContact CG-CB 3.95Å; L413-A415 PolarHBondContact O-N 3.24Å; A415-T417 HydrophobicContact CB-CG2 4.38Å; A415-T417 WeakPolarHBondContact O-CG2 3.48Å; A415-T417 PolarHBondContact O-N 2.67Å
416	R	59.2	Low	68.3	Low	172 Å²	172	75.3 Å²	75.3	65%	0.649	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-63.1	125.2	171.5	-66.1	-173.3	174.6	-127	3.4	107.3	P414 P425	P414-R416 PolarHBondContact O-N 3.38Å; R416-P425 HydrophobicContact CB-CB 4.34Å; R416-P425 HydrophobicContact CB-CG 4.34Å
417	T	62.2	Low	69.2	Low	45 Å²	45	75.7 Å²	75.7	28%	0.276	43%	0.425	S	S	.	.			trans	-136.7	148.3	-170.2	46.2	0	0	0	0	110.3	A415 H419 H423	A415-T417 HydrophobicContact CB-CG2 4.38Å; A415-T417 WeakPolarHBondContact O-CG2 3.48Å; A415-T417 PolarHBondContact O-N 2.67Å; T417-H419 PolarHBondContact O-N 2.88Å; T417-H423 PolarHBondContact N-O 3.07Å
418	C	66.1	Low	69.8	Low	31 Å²	31	79.1 Å²	79.1	21%	0.209	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-13.4	177.5	-51.4	0	0	0	0	113.6	S420 C432 F434	C418-S420 PolarHBondContact O-N 2.83Å; C418-C432 WeakPolarHBondContact CA-SG 3.22Å; C418-C432 HydrophobicContact CB-CB 3.59Å; C418-C432 WeakPolarHBondContact CB-SG 3.14Å; C418-C432 WeakPolarHBondContact SG-CB 3.44Å; C418-C432 CovalentContact SG-SG 2.03Å; C418-C432 PolarHBondContact SG-SG 2.88Å; C418-F434 HydrophobicContact CB-CD2 4.14Å; C418-F434 HydrophobicContact CB-CE2 3.5Å; C418-F434 VanDerWaalsContact CB-CE2 3.5Å; C418-F434 HydrophobicContact CB-CZ 3.83Å
419	H	62.4	Low	70.7	Confident	158 Å²	158	77.4 Å²	77.4	73%	0.731	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-12.9	-176.4	-87.6	68.6	0	0	0	114.6	T417 F434	T417-H419 PolarHBondContact O-N 2.88Å; H419-F434 AromaticContact ND1-CE2 3.7Å; H419-F434 AromaticContact ND1-CZ 3.85Å
420	S	60.1	Low	71.6	Confident	54 Å²	54	72.9 Å²	72.9	38%	0.378	40%	0.403	S	S	.	.			trans	-139.7	118.8	179.2	-76.2	0	0	0	0	111	C418 A422 H423 S424	C418-S420 PolarHBondContact O-N 2.83Å; S420-A422 PolarHBondContact O-N 3.02Å; S420-H423 PolarHBondContact O-N 3.25Å; S420-S424 PolarHBondContact O-N 3.44Å
421	P	60.8	Low	72.4	Confident	131 Å²	131	68.9 Å²	68.9	85%	0.851	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-54.6	-29.6	-179.3	-26.4	32.6	0	0	0	114.1	H423	P421-H423 VanDerWaalsContact C-N 3.28Å; P421-H423 PolarHBondContact O-N 2.82Å
422	A	57.8	Low	73.1	Confident	90 Å²	90	69.6 Å²	69.6	74%	0.744	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-72.9	-15.4	178.7	0	0	0	0	0	114.5	S420	S420-A422 PolarHBondContact O-N 3.02Å
423	H	64	Low	73.2	Confident	107 Å²	107	72 Å²	72	50%	0.495	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-123.5	9.6	-177.7	-61.4	100.7	0	0	0	112.9	T417 S420 P421	T417-H423 PolarHBondContact N-O 3.07Å; S420-H423 PolarHBondContact O-N 3.25Å; P421-H423 VanDerWaalsContact C-N 3.28Å; P421-H423 PolarHBondContact O-N 2.82Å
424	S	73.3	Confident	73.3	Confident	33 Å²	33	71.7 Å²	71.7	23%	0.231	39%	0.393	C	S	.	.			trans	-67.7	134.5	175.3	-177.9	0	0	0	0	110	S420 C426	S420-S424 PolarHBondContact O-N 3.44Å; S424-C426 PolarHBondContact OG-N 3.04Å
425	P	81.3	Confident	73.9	Confident	35 Å²	35	69.6 Å²	69.6	23%	0.227	38%	0.376	C	S	.	.			trans	-72.3	-17.9	174	28.2	-30.1	0	0	0	113.3	R416 V440	R416-P425 HydrophobicContact CB-CB 4.34Å; R416-P425 HydrophobicContact CB-CG 4.34Å; P425-V440 HydrophobicContact CG-CB 4.41Å; P425-V440 HydrophobicContact CG-CG1 3.53Å
426	C	88.1	Confident	74.3	Confident	19 Å²	19	75.1 Å²	75.1	13%	0.128	39%	0.393	C	S	.	.	S	Bend	trans	-81	163.3	-169.1	-49.6	0	0	0	0	114	S424 A430 C432 C442	S424-C426 PolarHBondContact OG-N 3.04Å; C426-A430 HydrophobicContact CB-CB 3.97Å; C426-C432 VanDerWaalsContact SG-CB 3.57Å; C426-C442 WeakPolarHBondContact CA-SG 3.33Å; C426-C442 HydrophobicContact CB-CB 3.65Å; C426-C442 WeakPolarHBondContact CB-SG 3.33Å; C426-C442 VanDerWaalsContact SG-CA 3.6Å; C426-C442 WeakPolarHBondContact SG-CB 3.09Å; C426-C442 CovalentContact SG-SG 2.03Å; C426-C442 PolarHBondContact SG-SG 3.24Å
427	H	90.5	Very high	74.2	Confident	56 Å²	56	70.9 Å²	70.9	26%	0.259	38%	0.384	S	S	.	.			trans	-60.3	158.2	172.7	-164.8	-111.4	0	0	0	112	H429 A430 G452 N453 C455	H427-H429 AromaticContact CE1-CD2 3.84Å; H427-H429 PolarHBondContact ND1-N 3.04Å; H427-H429 PolarHBondContact O-N 2.91Å; H427-A430 HydrophobicContact CB-CB 3.9Å; H427-A430 PolarHBondContact O-N 3.12Å; H427-G452 WeakPolarHBondContact CB-O 3.13Å; H427-G452 PolarHBondContact N-O 2.81Å; H427-N453 WeakPolarHBondContact CB-O 3.5Å; H427-C455 HydrophobicContact CB-CB 4.4Å; H427-C455 PolarHBondContact CE1-O 2.97Å
428	I	89.5	Confident	74.3	Confident	141 Å²	141	71.3 Å²	71.3	72%	0.723	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-26.6	176.6	-170.9	169.9	0	0	0	112.9
429	H	92.3	Very high	74.5	Confident	63 Å²	63	72 Å²	72	29%	0.292	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	27.1	175.4	-60.2	-60.1	0	0	0	112.2	H427 N445 W448	H427-H429 AromaticContact CE1-CD2 3.84Å; H427-H429 PolarHBondContact ND1-N 3.04Å; H427-H429 PolarHBondContact O-N 2.91Å; H429-N445 VanDerWaalsContact C-ND2 3.35Å; H429-N445 WeakPolarHBondContact O-CB 3.3Å; H429-N445 VanDerWaalsContact O-CG 3.32Å; H429-N445 PolarHBondContact O-N 3.12Å; H429-N445 PolarHBondContact O-ND2 3.45Å; H429-W448 HydrophobicContact CB-CB 4.49Å; H429-W448 HydrophobicContact CB-CD2 3.56Å; H429-W448 HydrophobicContact CB-CE3 3.96Å; H429-W448 HydrophobicContact CB-CG 3.76Å; H429-W448 HydrophobicContact CB-CZ2 4.39Å; H429-W448 AromaticContact CD2-CD2 3.93Å; H429-W448 AromaticContact CD2-CE2 3.72Å; H429-W448 AromaticContact CD2-CE3 3.76Å; H429-W448 AromaticContact CD2-CH2 3.3Å; H429-W448 WeakPolarHBondContact CD2-CH2 3.17Å; H429-W448 AromaticContact CD2-CZ2 3.43Å; H429-W448 VanDerWaalsContact CD2-CZ2 3.43Å; H429-W448 WeakPolarHBondContact CD2-CZ2 3.43Å; H429-W448 AromaticContact CD2-CZ3 3.47Å; H429-W448 VanDerWaalsContact CD2-CZ3 3.47Å; H429-W448 WeakPolarHBondContact CD2-CZ3 3.43Å; H429-W448 AromaticContact CE1-CZ2 3.6Å; H429-W448 AromaticContact CG-CD2 3.7Å; H429-W448 AromaticContact CG-CE2 3.46Å; H429-W448 VanDerWaalsContact CG-CE2 3.46Å; H429-W448 AromaticContact CG-CE3 3.98Å; H429-W448 AromaticContact CG-CH2 3.95Å; H429-W448 AromaticContact CG-CZ2 3.61Å; H429-W448 AromaticContact CG-NE1 3.92Å; H429-W448 AromaticContact ND1-CE2 3.72Å; H429-W448 AromaticContact ND1-CZ2 3.7Å; H429-W448 AromaticContact ND1-NE1 3.91Å; H429-W448 AromaticContact NE2-CH2 3.45Å; H429-W448 WeakPolarHBondContact NE2-CH2 3.1Å; H429-W448 AromaticContact NE2-CZ2 3.48Å; H429-W448 WeakPolarHBondContact NE2-CZ2 3.28Å
430	A	91.6	Very high	75.1	Confident	15 Å²	15	66.7 Å²	66.7	12%	0.124	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	151.9	172.6	0	0	0	0	0	110.4	C426 H427 Q443 G452	C426-A430 HydrophobicContact CB-CB 3.97Å; H427-A430 HydrophobicContact CB-CB 3.9Å; H427-A430 PolarHBondContact O-N 3.12Å; A430-Q443 CarbonylContact C-O 3.55Å; A430-Q443 WeakPolarHBondContact CA-O 3.44Å; A430-Q443 VanDerWaalsContact CB-O 3.26Å; A430-Q443 WeakPolarHBondContact CB-O 3.06Å; A430-G452 WeakPolarHBondContact CB-O 3.19Å
431	H	88.4	Confident	76.2	Confident	69 Å²	69	65.6 Å²	65.6	32%	0.319	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	150.9	169.6	66.7	-84.1	0	0	0	110.1	C442 Q443 N445	H431-C442 WeakPolarHBondContact O-CA 3.39Å; H431-Q443 VanDerWaalsContact CE1-CB 3.43Å; H431-Q443 WeakPolarHBondContact CE1-CB 3.33Å; H431-Q443 PolarHBondContact CE1-OE1 3.05Å; H431-Q443 PolarHBondContact N-O 3.5Å; H431-Q443 PolarHBondContact ND1-O 3.03Å; H431-Q443 VanDerWaalsContact ND1-O 3.07Å; H431-Q443 PolarHBondContact NE2-OE1 3.48Å; H431-Q443 PolarHBondContact O-N 3.07Å; H431-N445 PolarHBondContact N-OD1 2.86Å; H431-N445 PolarHBondContact ND1-OD1 3.2Å
432	C	85.4	Confident	77.5	Confident	30 Å²	30	60.5 Å²	60.5	20%	0.203	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120.7	-173.9	-172.7	0	0	0	0	107.6	C418 C426 V440	C418-C432 WeakPolarHBondContact CA-SG 3.22Å; C418-C432 HydrophobicContact CB-CB 3.59Å; C418-C432 WeakPolarHBondContact CB-SG 3.14Å; C418-C432 WeakPolarHBondContact SG-CB 3.44Å; C418-C432 CovalentContact SG-SG 2.03Å; C418-C432 PolarHBondContact SG-SG 2.88Å; C426-C432 VanDerWaalsContact SG-CB 3.57Å; C432-V440 WeakPolarHBondContact SG-CG1 3.48Å
433	L	79.7	Confident	79.1	Confident	57 Å²	57	59.9 Å²	59.9	30%	0.298	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	146.1	-178.8	-63.9	170.7	0	0	0	109.1	V440 S441 Q443	L433-V440 WeakPolarHBondContact O-CA 3.3Å; L433-S441 WeakPolarHBondContact CB-OG 3.5Å; L433-S441 PolarHBondContact N-O 2.82Å; L433-S441 PolarHBondContact O-N 3.27Å; L433-Q443 HydrophobicContact CD1-CB 4.22Å
434	F	72.6	Confident	80.5	Confident	105 Å²	105	55.6 Å²	55.6	46%	0.461	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.6	170	-77.6	-74.3	0	0	0	108.3	C418 H419 V440	C418-F434 HydrophobicContact CB-CD2 4.14Å; C418-F434 HydrophobicContact CB-CE2 3.5Å; C418-F434 VanDerWaalsContact CB-CE2 3.5Å; C418-F434 HydrophobicContact CB-CZ 3.83Å; H419-F434 AromaticContact ND1-CE2 3.7Å; H419-F434 AromaticContact ND1-CZ 3.85Å; F434-V440 HydrophobicContact CD1-CG2 4.16Å; F434-V440 HydrophobicContact CE1-CG2 3.95Å
435	E	69.3	Low	81.5	Confident	32 Å²	32	56.8 Å²	56.8	15%	0.15	31%	0.31	C	S	.	.			trans	-82.6	163.4	172.4	-58.9	-59.7	166.2	0	0	111	N437 G438 A439 S441	E435-N437 VanDerWaalsContact C-N 3.3Å; E435-N437 WeakPolarHBondContact CB-OD1 3.3Å; E435-N437 PolarHBondContact O-N 2.74Å; E435-G438 WeakPolarHBondContact O-CA 3.35Å; E435-G438 PolarHBondContact O-N 3.04Å; E435-A439 HydrophobicContact CB-CB 4.26Å; E435-A439 HydrophobicContact CG-CB 4.38Å; E435-A439 PolarHBondContact N-O 2.83Å; E435-S441 WeakPolarHBondContact OE1-CB 2.99Å; E435-S441 PolarHBondContact OE1-OG 3.01Å
436	R	64.9	Low	82.2	Confident	134 Å²	134	56.2 Å²	56.2	51%	0.506	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-41.7	179.4	-71.7	-177.9	173.9	-146	-8.6	112.7	G438 E717	R436-G438 PolarHBondContact O-N 3.09Å; R436-G438 VanDerWaalsContact O-N 3.09Å; R436-E717 IonicContact CZ-OE1 2.74Å; R436-E717 IonicContact NH1-OE1 3.23Å; R436-E717 PolarHBondContact NH1-OE1 3.24Å; R436-E717 IonicContact NH2-OE1 3.26Å; R436-E717 PolarHBondContact NH2-OE1 3.22Å
437	N	58.8	Low	82.5	Confident	84 Å²	84	55.6 Å²	55.6	45%	0.449	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	6.2	175.8	65.5	13.7	0	0	0	114.6	E435 A439	E435-N437 VanDerWaalsContact C-N 3.3Å; E435-N437 WeakPolarHBondContact CB-OD1 3.3Å; E435-N437 PolarHBondContact O-N 2.74Å; N437-A439 VanDerWaalsContact C-N 3.26Å; N437-A439 PolarHBondContact O-N 2.8Å; N437-A439 WeakPolarHBondContact OD1-CB 3.44Å; N437-A439 PolarHBondContact OD1-N 2.75Å
438	G	63.2	Low	82.8	Confident	54 Å²	54	55.7 Å²	55.7	56%	0.557	30%	0.301	S	S	*	.	S	Bend	trans	76.5	6.4	-178.6	0	0	0	0	0	114.7	E435 R436	E435-G438 WeakPolarHBondContact O-CA 3.35Å; E435-G438 PolarHBondContact O-N 3.04Å; R436-G438 PolarHBondContact O-N 3.09Å; R436-G438 VanDerWaalsContact O-N 3.09Å
439	A	69.9	Low	83.1	Confident	45 Å²	45	49.1 Å²	49.1	37%	0.372	27%	0.268	S	S	.	.			trans	-69	158.3	170.1	0	0	0	0	0	111.3	E435 N437	E435-A439 HydrophobicContact CB-CB 4.26Å; E435-A439 HydrophobicContact CG-CB 4.38Å; E435-A439 PolarHBondContact N-O 2.83Å; N437-A439 VanDerWaalsContact C-N 3.26Å; N437-A439 PolarHBondContact O-N 2.8Å; N437-A439 WeakPolarHBondContact OD1-CB 3.44Å; N437-A439 PolarHBondContact OD1-N 2.75Å
440	V	75.4	Confident	83.2	Confident	47 Å²	47	46.9 Å²	46.9	29%	0.285	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	119.1	176.2	175	0	0	0	0	108.4	P425 C432 L433 F434	P425-V440 HydrophobicContact CG-CB 4.41Å; P425-V440 HydrophobicContact CG-CG1 3.53Å; C432-V440 WeakPolarHBondContact SG-CG1 3.48Å; L433-V440 WeakPolarHBondContact O-CA 3.3Å; F434-V440 HydrophobicContact CD1-CG2 4.16Å; F434-V440 HydrophobicContact CE1-CG2 3.95Å
441	S	83.1	Confident	83.2	Confident	31 Å²	31	47.2 Å²	47.2	22%	0.217	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	158.8	170.2	64.1	0	0	0	0	110.5	L433 E435	L433-S441 WeakPolarHBondContact CB-OG 3.5Å; L433-S441 PolarHBondContact N-O 2.82Å; L433-S441 PolarHBondContact O-N 3.27Å; E435-S441 WeakPolarHBondContact OE1-CB 2.99Å; E435-S441 PolarHBondContact OE1-OG 3.01Å
442	C	88.4	Confident	83.3	Confident	23 Å²	23	44 Å²	44	16%	0.155	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	130.8	-178.6	-62.1	0	0	0	0	108.5	C426 H431 G452	C426-C442 WeakPolarHBondContact CA-SG 3.33Å; C426-C442 HydrophobicContact CB-CB 3.65Å; C426-C442 WeakPolarHBondContact CB-SG 3.33Å; C426-C442 VanDerWaalsContact SG-CA 3.6Å; C426-C442 WeakPolarHBondContact SG-CB 3.09Å; C426-C442 CovalentContact SG-SG 2.03Å; C426-C442 PolarHBondContact SG-SG 3.24Å; H431-C442 WeakPolarHBondContact O-CA 3.39Å; C442-G452 WeakPolarHBondContact O-CA 3.45Å
443	Q	90.6	Very high	83.4	Confident	77 Å²	77	46.6 Å²	46.6	36%	0.36	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.2	176	-177.6	-178	25.1	0	0	109	A430 H431 L433	A430-Q443 CarbonylContact C-O 3.55Å; A430-Q443 WeakPolarHBondContact CA-O 3.44Å; A430-Q443 VanDerWaalsContact CB-O 3.26Å; A430-Q443 WeakPolarHBondContact CB-O 3.06Å; H431-Q443 VanDerWaalsContact CE1-CB 3.43Å; H431-Q443 WeakPolarHBondContact CE1-CB 3.33Å; H431-Q443 PolarHBondContact CE1-OE1 3.05Å; H431-Q443 PolarHBondContact N-O 3.5Å; H431-Q443 PolarHBondContact ND1-O 3.03Å; H431-Q443 VanDerWaalsContact ND1-O 3.07Å; H431-Q443 PolarHBondContact NE2-OE1 3.48Å; H431-Q443 PolarHBondContact O-N 3.07Å; L433-Q443 HydrophobicContact CD1-CB 4.22Å
444	C	93.9	Very high	84.1	Confident	17 Å²	17	45.9 Å²	45.9	12%	0.115	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	146.7	178.8	-62.1	0	0	0	0	110.5	W448 G452 C455	C444-W448 HydrophobicContact CB-CB 4.15Å; C444-W448 VanDerWaalsContact CB-O 3.23Å; C444-W448 WeakPolarHBondContact CB-O 3.26Å; C444-G452 PolarHBondContact SG-N 3Å; C444-C455 VanDerWaalsContact CA-SG 3.57Å; C444-C455 HydrophobicContact CB-CB 3.89Å; C444-C455 WeakPolarHBondContact CB-SG 3.32Å; C444-C455 WeakPolarHBondContact SG-CB 3.27Å; C444-C455 CovalentContact SG-SG 2.04Å; C444-C455 PolarHBondContact SG-SG 2.8Å
445	N	94.6	Very high	85.1	Confident	59 Å²	59	41.2 Å²	41.2	32%	0.316	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-73.5	157.1	176.5	-63.9	-23.4	0	0	0	110.1	H429 H431 G447 W448	H429-N445 VanDerWaalsContact C-ND2 3.35Å; H429-N445 WeakPolarHBondContact O-CB 3.3Å; H429-N445 VanDerWaalsContact O-CG 3.32Å; H429-N445 PolarHBondContact O-N 3.12Å; H429-N445 PolarHBondContact O-ND2 3.45Å; H431-N445 PolarHBondContact N-OD1 2.86Å; H431-N445 PolarHBondContact ND1-OD1 3.2Å; N445-G447 PolarHBondContact O-N 3.15Å; N445-W448 WeakPolarHBondContact O-CA 3.35Å; N445-W448 VanDerWaalsContact O-CB 3.31Å; N445-W448 WeakPolarHBondContact O-CB 3.02Å; N445-W448 PolarHBondContact O-N 3Å
446	V	95.3	Very high	86.4	Confident	22 Å²	22	40.2 Å²	40.2	13%	0.133	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	135	174.8	-176.1	0	0	0	0	111.8	W448 I461 R878 Y895 G897 P898	V446-W448 VanDerWaalsContact C-N 3.32Å; V446-I461 HydrophobicContact CG1-CD1 4.38Å; V446-I461 HydrophobicContact CG1-CG2 4.03Å; V446-R878 HydrophobicContact CG1-CB 3.7Å; V446-R878 HydrophobicContact CG1-CG 4.25Å; V446-Y895 HydrophobicContact CB-CD1 4.35Å; V446-Y895 HydrophobicContact CB-CG 4.3Å; V446-Y895 HydrophobicContact CG1-CD1 4.46Å; V446-Y895 HydrophobicContact CG1-CD2 4.49Å; V446-Y895 HydrophobicContact CG1-CG 4.01Å; V446-Y895 HydrophobicContact CG2-CD2 4.31Å; V446-Y895 HydrophobicContact CG2-CE2 4.43Å; V446-Y895 HydrophobicContact CG2-CG 4.36Å; V446-G897 WeakPolarHBondContact CG1-O 3.4Å; V446-P898 WeakPolarHBondContact O-CA 3.49Å; V446-P898 WeakPolarHBondContact O-CB 3.38Å
447	G	94.9	Very high	87.9	Confident	6 Å²	6	37 Å²	37	6%	0.062	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	10.1	-171.8	0	0	0	0	0	114.2	N445 D458	N445-G447 PolarHBondContact O-N 3.15Å; G447-D458 CarbonylContact C-O 3.59Å; G447-D458 WeakPolarHBondContact CA-O 3.4Å; G447-D458 PolarHBondContact O-N 2.93Å; G447-D458 VanDerWaalsContact O-N 3.11Å
448	W	96.5	Very high	89.7	Confident	58 Å²	58	33.2 Å²	33.2	22%	0.22	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	141	173.4	-55.2	77.5	0	0	0	110.8	H429 C444 N445 V446 C455 G456 T457	H429-W448 HydrophobicContact CB-CB 4.49Å; H429-W448 HydrophobicContact CB-CD2 3.56Å; H429-W448 HydrophobicContact CB-CE3 3.96Å; H429-W448 HydrophobicContact CB-CG 3.76Å; H429-W448 HydrophobicContact CB-CZ2 4.39Å; H429-W448 AromaticContact CD2-CD2 3.93Å; H429-W448 AromaticContact CD2-CE2 3.72Å; H429-W448 AromaticContact CD2-CE3 3.76Å; H429-W448 AromaticContact CD2-CH2 3.3Å; H429-W448 WeakPolarHBondContact CD2-CH2 3.17Å; H429-W448 AromaticContact CD2-CZ2 3.43Å; H429-W448 VanDerWaalsContact CD2-CZ2 3.43Å; H429-W448 WeakPolarHBondContact CD2-CZ2 3.43Å; H429-W448 AromaticContact CD2-CZ3 3.47Å; H429-W448 VanDerWaalsContact CD2-CZ3 3.47Å; H429-W448 WeakPolarHBondContact CD2-CZ3 3.43Å; H429-W448 AromaticContact CE1-CZ2 3.6Å; H429-W448 AromaticContact CG-CD2 3.7Å; H429-W448 AromaticContact CG-CE2 3.46Å; H429-W448 VanDerWaalsContact CG-CE2 3.46Å; H429-W448 AromaticContact CG-CE3 3.98Å; H429-W448 AromaticContact CG-CH2 3.95Å; H429-W448 AromaticContact CG-CZ2 3.61Å; H429-W448 AromaticContact CG-NE1 3.92Å; H429-W448 AromaticContact ND1-CE2 3.72Å; H429-W448 AromaticContact ND1-CZ2 3.7Å; H429-W448 AromaticContact ND1-NE1 3.91Å; H429-W448 AromaticContact NE2-CH2 3.45Å; H429-W448 WeakPolarHBondContact NE2-CH2 3.1Å; H429-W448 AromaticContact NE2-CZ2 3.48Å; H429-W448 WeakPolarHBondContact NE2-CZ2 3.28Å; C444-W448 HydrophobicContact CB-CB 4.15Å; C444-W448 VanDerWaalsContact CB-O 3.23Å; C444-W448 WeakPolarHBondContact CB-O 3.26Å; N445-W448 WeakPolarHBondContact O-CA 3.35Å; N445-W448 VanDerWaalsContact O-CB 3.31Å; N445-W448 WeakPolarHBondContact O-CB 3.02Å; N445-W448 PolarHBondContact O-N 3Å; V446-W448 VanDerWaalsContact C-N 3.32Å; W448-C455 HydrophobicContact CB-CB 4.11Å; W448-G456 CarbonylContact C-O 3.59Å; W448-G456 WeakPolarHBondContact CA-O 3.36Å; W448-G456 VanDerWaalsContact CB-O 3.29Å; W448-G456 WeakPolarHBondContact CB-O 3.44Å; W448-G456 VanDerWaalsContact CE3-O 3.25Å; W448-T457 HydrophobicContact CE3-CG2 4.3Å; W448-T457 HydrophobicContact CH2-CG2 3.89Å; W448-T457 HydrophobicContact CZ2-CG2 4.49Å; W448-T457 HydrophobicContact CZ3-CG2 3.79Å
449	A	96.3	Very high	91.3	Very high	4 Å²	4	34.1 Å²	34.1	3%	0.033	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	156.1	177.6	0	0	0	0	0	111.7	C455 G456 D458 G463 Y464 P465 L469	A449-C455 CarbonylContact O-C 3.55Å; A449-C455 VanDerWaalsContact O-CA 3.28Å; A449-C455 WeakPolarHBondContact O-CA 3.34Å; A449-G456 PolarHBondContact N-O 2.82Å; A449-G456 PolarHBondContact O-N 2.79Å; A449-D458 HydrophobicContact CB-CB 3.73Å; A449-G463 WeakPolarHBondContact CB-O 3.36Å; A449-Y464 VanDerWaalsContact CB-C 3.47Å; A449-P465 HydrophobicContact CB-CB 4.15Å; A449-P465 HydrophobicContact CB-CG 4.48Å; A449-L469 VanDerWaalsContact O-CD1 3.3Å; A449-L469 WeakPolarHBondContact O-CD1 3.48Å
450	G	94.2	Very high	92.5	Very high	16 Å²	16	32 Å²	32	17%	0.165	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.5	-166.9	-176	0	0	0	0	0	113.3	G452 V454 H477	G450-G452 VanDerWaalsContact C-N 3.31Å; G450-G452 PolarHBondContact O-N 2.9Å; G450-V454 WeakPolarHBondContact CA-O 3.27Å; G450-H477 VanDerWaalsContact CA-O 3.22Å; G450-H477 WeakPolarHBondContact CA-O 3.28Å; G450-H477 PolarHBondContact N-O 2.88Å
451	N	90.6	Very high	93.6	Very high	22 Å²	22	30 Å²	30	12%	0.118	18%	0.175	C	C	.	.	S	Bend	trans	-91.8	16.1	178.8	72	-5.8	0	0	0	113.6	N453 V454 D473 N475	N451-N453 PolarHBondContact O-N 3.04Å; N451-N453 PolarHBondContact OD1-N 2.86Å; N451-N453 VanDerWaalsContact OD1-N 3.14Å; N451-V454 PolarHBondContact N-O 3.26Å; N451-V454 PolarHBondContact OD1-N 2.97Å; N451-V454 PolarHBondContact OD1-O 2.74Å; N451-D473 WeakPolarHBondContact CB-OD2 3.38Å; N451-D473 PolarHBondContact ND2-OD1 3.25Å; N451-D473 PolarHBondContact ND2-OD2 2.93Å; N451-N475 HydrophobicContact CB-CB 4Å
452	G	90.8	Very high	94.2	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.01	17%	0.165	C	C	.	.	S	Bend	trans	75.8	-29.3	-177	0	0	0	0	0	115.6	H427 A430 C442 C444 G450	H427-G452 WeakPolarHBondContact CB-O 3.13Å; H427-G452 PolarHBondContact N-O 2.81Å; A430-G452 WeakPolarHBondContact CB-O 3.19Å; C442-G452 WeakPolarHBondContact O-CA 3.45Å; C444-G452 PolarHBondContact SG-N 3Å; G450-G452 VanDerWaalsContact C-N 3.31Å; G450-G452 PolarHBondContact O-N 2.9Å
453	N	89.3	Confident	94.5	Very high	85 Å²	85	28 Å²	28	46%	0.455	16%	0.163	S	C	.	.	S	Bend	trans	-82	-32.5	172.3	-66.5	-57.9	0	0	0	111.7	H427 N451	H427-N453 WeakPolarHBondContact CB-O 3.5Å; N451-N453 PolarHBondContact O-N 3.04Å; N451-N453 PolarHBondContact OD1-N 2.86Å; N451-N453 VanDerWaalsContact OD1-N 3.14Å
454	V	92.8	Very high	94.8	Very high	41 Å²	41	25.1 Å²	25.1	25%	0.248	15%	0.149	C	C	.	.	S	Bend	trans	-127.7	122.7	171.9	-177.1	0	0	0	0	106.5	G450 N451 L469	G450-V454 WeakPolarHBondContact CA-O 3.27Å; N451-V454 PolarHBondContact N-O 3.26Å; N451-V454 PolarHBondContact OD1-N 2.97Å; N451-V454 PolarHBondContact OD1-O 2.74Å; V454-L469 HydrophobicContact CG1-CB 4.18Å; V454-L469 HydrophobicContact CG1-CD1 4.48Å
455	C	95.1	Very high	94.9	Very high	8 Å²	8	24.3 Å²	24.3	5%	0.054	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.8	175.6	-54.8	0	0	0	0	110.2	H427 C444 W448 A449	H427-C455 HydrophobicContact CB-CB 4.4Å; H427-C455 PolarHBondContact CE1-O 2.97Å; C444-C455 VanDerWaalsContact CA-SG 3.57Å; C444-C455 HydrophobicContact CB-CB 3.89Å; C444-C455 WeakPolarHBondContact CB-SG 3.32Å; C444-C455 WeakPolarHBondContact SG-CB 3.27Å; C444-C455 CovalentContact SG-SG 2.04Å; C444-C455 PolarHBondContact SG-SG 2.8Å; W448-C455 HydrophobicContact CB-CB 4.11Å; A449-C455 CarbonylContact O-C 3.55Å; A449-C455 VanDerWaalsContact O-CA 3.28Å; A449-C455 WeakPolarHBondContact O-CA 3.34Å
456	G	95.4	Very high	95	Very high	10 Å²	10	22.5 Å²	22.5	10%	0.103	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	170.4	173.3	0	0	0	0	0	111.3	W448 A449 L469	W448-G456 CarbonylContact C-O 3.59Å; W448-G456 WeakPolarHBondContact CA-O 3.36Å; W448-G456 VanDerWaalsContact CB-O 3.29Å; W448-G456 WeakPolarHBondContact CB-O 3.44Å; W448-G456 VanDerWaalsContact CE3-O 3.25Å; A449-G456 PolarHBondContact N-O 2.82Å; A449-G456 PolarHBondContact O-N 2.79Å; G456-L469 VanDerWaalsContact N-CD1 3.29Å
457	T	96.8	Very high	95	Very high	66 Å²	66	28.2 Å²	28.2	41%	0.405	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	141.1	173.8	48.5	0	0	0	0	110	W448 P465 D466	W448-T457 HydrophobicContact CE3-CG2 4.3Å; W448-T457 HydrophobicContact CH2-CG2 3.89Å; W448-T457 HydrophobicContact CZ2-CG2 4.49Å; W448-T457 HydrophobicContact CZ3-CG2 3.79Å; T457-P465 CarbonylContact O-C 3.52Å; T457-P465 VanDerWaalsContact O-CA 3.29Å; T457-P465 WeakPolarHBondContact O-CA 3.43Å; T457-D466 VanDerWaalsContact CB-OD2 3.28Å; T457-D466 WeakPolarHBondContact CB-OD2 3.5Å; T457-D466 PolarHBondContact O-N 3.03Å; T457-D466 PolarHBondContact OG1-OD2 3.01Å
458	D	97.1	Very high	95	Very high	6 Å²	6	31.2 Å²	31.2	3%	0.032	18%	0.183	C	C	.	.			trans	-131.5	103.1	177	170.8	0	0	0	0	105.6	G447 A449 I461 D462 G463	G447-D458 CarbonylContact C-O 3.59Å; G447-D458 WeakPolarHBondContact CA-O 3.4Å; G447-D458 PolarHBondContact O-N 2.93Å; G447-D458 VanDerWaalsContact O-N 3.11Å; A449-D458 HydrophobicContact CB-CB 3.73Å; D458-I461 WeakPolarHBondContact OD1-CA 3.5Å; D458-I461 PolarHBondContact OD1-N 2.94Å; D458-I461 WeakPolarHBondContact OD2-CA 3.44Å; D458-D462 PolarHBondContact OD1-N 3.21Å; D458-G463 PolarHBondContact OD2-N 2.85Å; D458-G463 VanDerWaalsContact OD2-N 3.15Å
459	T	96	Very high	94.9	Very high	73 Å²	73	30 Å²	30	45%	0.448	18%	0.181	S	C	.	.	S	Bend	trans	-77.1	-41.1	-167.5	-64.3	0	0	0	0	112.1	D466 L485	T459-D466 VanDerWaalsContact CB-OD1 3.3Å; T459-D466 WeakPolarHBondContact CB-OD1 3.38Å; T459-D466 PolarHBondContact N-OD1 2.9Å; T459-D466 VanDerWaalsContact OG1-CG 3.24Å; T459-D466 PolarHBondContact OG1-OD1 2.97Å; T459-D466 PolarHBondContact OG1-OD2 2.76Å; T459-D466 VanDerWaalsContact OG1-OD2 3.09Å; T459-L485 HydrophobicContact CG2-CD2 3.92Å
460	D	96.3	Very high	94.6	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	21%	0.212	C	C	.	.	S	Bend	trans	-103.1	-0.1	-175.9	66.5	-8.4	0	0	0	113.2	T486 P487 T780 S876	D460-T486 PolarHBondContact OD2-N 2.71Å; D460-P487 HydrophobicContact CB-CG 3.99Å; D460-P487 WeakPolarHBondContact O-CG 3.35Å; D460-P487 WeakPolarHBondContact OD2-CA 3.42Å; D460-T780 VanDerWaalsContact O-CG2 3.31Å; D460-T780 WeakPolarHBondContact O-CG2 3.41Å; D460-S876 WeakPolarHBondContact CA-OG 3.48Å; D460-S876 WeakPolarHBondContact O-CB 3.45Å; D460-S876 PolarHBondContact O-OG 2.77Å
461	I	96.8	Very high	94.3	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.015	21%	0.209	C	C	.	.			trans	68	33	165.6	-33.8	174.8	0	0	0	112.7	V446 D458 T780 R878	V446-I461 HydrophobicContact CG1-CD1 4.38Å; V446-I461 HydrophobicContact CG1-CG2 4.03Å; D458-I461 WeakPolarHBondContact OD1-CA 3.5Å; D458-I461 PolarHBondContact OD1-N 2.94Å; D458-I461 WeakPolarHBondContact OD2-CA 3.44Å; I461-T780 HydrophobicContact CB-CG2 4.05Å; I461-T780 WeakPolarHBondContact O-CB 3.36Å; I461-T780 PolarHBondContact O-OG1 3.36Å; I461-R878 HydrophobicContact CD1-CB 4.34Å; I461-R878 HydrophobicContact CG2-CB 4Å; I461-R878 HydrophobicContact CG2-CG 4.44Å
462	D	95.9	Very high	93.8	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	25%	0.248	C	C	.	.	S	Bend	trans	-91.1	-4.6	-179.9	83.6	-15.8	0	0	0	113.1	D458 Y464 P487 N488 S489 N931	D458-D462 PolarHBondContact OD1-N 3.21Å; D462-Y464 PolarHBondContact OD1-N 3.15Å; D462-P487 HydrophobicContact CB-CB 3.96Å; D462-N488 PolarHBondContact OD2-N 2.87Å; D462-N488 PolarHBondContact OD2-OD1 3.42Å; D462-S489 VanDerWaalsContact O-CB 3.28Å; D462-S489 WeakPolarHBondContact O-CB 3.03Å; D462-N931 WeakPolarHBondContact O-CB 3.46Å; D462-N931 VanDerWaalsContact O-CG 3.29Å; D462-N931 PolarHBondContact O-ND2 3.37Å
463	G	95	Very high	93.4	Very high	11 Å²	11	47 Å²	47	11%	0.113	27%	0.27	C	S	.	.	S	Bend	trans	95	6.5	-179.9	0	0	0	0	0	114.8	A449 D458 H477	A449-G463 WeakPolarHBondContact CB-O 3.36Å; D458-G463 PolarHBondContact OD2-N 2.85Å; D458-G463 VanDerWaalsContact OD2-N 3.15Å; G463-H477 PolarHBondContact O-ND1 2.86Å
464	Y	96.6	Very high	92.9	Very high	17 Å²	17	50.3 Å²	50.3	7%	0.067	29%	0.288	C	S	.	.	S	Bend	trans	-112.6	139.7	169.5	-69.9	-94.4	0	0	0	111.5	A449 D462 K476 S489 Q491	A449-Y464 VanDerWaalsContact CB-C 3.47Å; D462-Y464 PolarHBondContact OD1-N 3.15Å; Y464-K476 WeakPolarHBondContact CE1-O 3.34Å; Y464-S489 VanDerWaalsContact CE2-O 3.3Å; Y464-S489 WeakPolarHBondContact CE2-O 3.25Å; Y464-Q491 HydrophobicContact CD1-CG 3.86Å; Y464-Q491 HydrophobicContact CD2-CG 3.5Å; Y464-Q491 HydrophobicContact CE1-CG 3.72Å; Y464-Q491 HydrophobicContact CE2-CG 3.37Å; Y464-Q491 HydrophobicContact CG-CG 3.75Å; Y464-Q491 VanDerWaalsContact CZ-CG 3.45Å
465	P	96.8	Very high	92.6	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.006	29%	0.289	C	S	.	.			trans	-79.6	146.5	-179.2	30.3	-36.4	0	0	0	111.7	A449 T457 Q467 L469 H477 K479 D481	A449-P465 HydrophobicContact CB-CB 4.15Å; A449-P465 HydrophobicContact CB-CG 4.48Å; T457-P465 CarbonylContact O-C 3.52Å; T457-P465 VanDerWaalsContact O-CA 3.29Å; T457-P465 WeakPolarHBondContact O-CA 3.43Å; P465-Q467 PolarHBondContact O-N 2.88Å; P465-L469 HydrophobicContact CB-CD1 3.87Å; P465-L469 HydrophobicContact CB-CG 4.05Å; P465-L469 HydrophobicContact CG-CD1 3.76Å; P465-L469 HydrophobicContact CG-CG 3.85Å; P465-H477 WeakPolarHBondContact CD-O 3.3Å; P465-K479 WeakPolarHBondContact CD-O 3.31Å; P465-K479 VanDerWaalsContact CG-O 3.28Å; P465-K479 WeakPolarHBondContact CG-O 3.11Å; P465-D481 PolarHBondContact O-N 3.01Å
466	D	96.4	Very high	92.3	Very high	21 Å²	21	55.2 Å²	55.2	11%	0.112	31%	0.307	C	S	.	.	S	Bend	trans	-56.5	-22.3	178.4	-45.2	-36.9	0	0	0	113.1	T457 T459 Q480	T457-D466 VanDerWaalsContact CB-OD2 3.28Å; T457-D466 WeakPolarHBondContact CB-OD2 3.5Å; T457-D466 PolarHBondContact O-N 3.03Å; T457-D466 PolarHBondContact OG1-OD2 3.01Å; T459-D466 VanDerWaalsContact CB-OD1 3.3Å; T459-D466 WeakPolarHBondContact CB-OD1 3.38Å; T459-D466 PolarHBondContact N-OD1 2.9Å; T459-D466 VanDerWaalsContact OG1-CG 3.24Å; T459-D466 PolarHBondContact OG1-OD1 2.97Å; T459-D466 PolarHBondContact OG1-OD2 2.76Å; T459-D466 VanDerWaalsContact OG1-OD2 3.09Å; D466-Q480 WeakPolarHBondContact O-CG 3.19Å; D466-Q480 PolarHBondContact O-NE2 3.02Å
467	Q	95.1	Very high	92	Very high	142 Å²	142	57.2 Å²	57.2	66%	0.664	31%	0.314	S	S	*	.	S	Bend	trans	-138.2	144	179.8	-64.3	-179.5	15.5	0	0	110.5	P465 L469	P465-Q467 PolarHBondContact O-N 2.88Å; Q467-L469 PolarHBondContact O-N 3.26Å
468	A	94.9	Very high	91.9	Very high	68 Å²	68	54.4 Å²	54.4	56%	0.562	30%	0.297	S	S	*	.			trans	-57.9	131.3	176.5	0	0	0	0	0	112	C478 Q480	A468-C478 WeakPolarHBondContact CA-O 3.45Å; A468-Q480 HydrophobicContact CB-CB 4.12Å
469	L	94.8	Very high	91.8	Very high	33 Å²	33	60.8 Å²	60.8	17%	0.173	32%	0.324	C	S	.	.			trans	-101.3	145.9	-176.3	-58.8	177	0	0	0	112	A449 V454 G456 P465 Q467 C471 C478	A449-L469 VanDerWaalsContact O-CD1 3.3Å; A449-L469 WeakPolarHBondContact O-CD1 3.48Å; V454-L469 HydrophobicContact CG1-CB 4.18Å; V454-L469 HydrophobicContact CG1-CD1 4.48Å; G456-L469 VanDerWaalsContact N-CD1 3.29Å; P465-L469 HydrophobicContact CB-CD1 3.87Å; P465-L469 HydrophobicContact CB-CG 4.05Å; P465-L469 HydrophobicContact CG-CD1 3.76Å; P465-L469 HydrophobicContact CG-CG 3.85Å; Q467-L469 PolarHBondContact O-N 3.26Å; L469-C471 PolarHBondContact O-N 2.94Å; L469-C478 HydrophobicContact CB-CB 4.05Å; L469-C478 PolarHBondContact N-O 3.35Å
470	P	90.9	Very high	91.8	Very high	106 Å²	106	62.2 Å²	62.2	69%	0.688	33%	0.326	S	S	*	.			trans	-80	60.8	-179.5	34.6	-37	0	0	0	112
471	C	86.7	Confident	91.9	Very high	16 Å²	16	62.3 Å²	62.3	11%	0.108	33%	0.326	C	S	.	.			trans	-81.7	130.1	178.8	-60.2	0	0	0	0	111.2	L469 D473 C478	L469-C471 PolarHBondContact O-N 2.94Å; C471-D473 VanDerWaalsContact C-N 3.35Å; C471-D473 WeakPolarHBondContact CB-OD1 3.02Å; C471-C478 HydrophobicContact CB-CB 3.49Å; C471-C478 VanDerWaalsContact CB-CB 3.49Å; C471-C478 WeakPolarHBondContact CB-SG 3.4Å; C471-C478 WeakPolarHBondContact SG-CB 2.95Å; C471-C478 CovalentContact SG-SG 2.02Å; C471-C478 PolarHBondContact SG-SG 3.18Å
472	M	80.8	Confident	91.9	Very high	190 Å²	190	63.3 Å²	63.3	94%	0.936	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-22.3	-175.4	-66.9	-67.5	-68.2	0	0	113.6
473	D	82.6	Confident	91.9	Very high	88 Å²	88	63.5 Å²	63.5	47%	0.471	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	0.5	-178.2	56.7	-13.1	0	0	0	113.1	N451 C471 N475	N451-D473 WeakPolarHBondContact CB-OD2 3.38Å; N451-D473 PolarHBondContact ND2-OD1 3.25Å; N451-D473 PolarHBondContact ND2-OD2 2.93Å; C471-D473 VanDerWaalsContact C-N 3.35Å; C471-D473 WeakPolarHBondContact CB-OD1 3.02Å; D473-N475 PolarHBondContact O-N 2.95Å
474	N	77.4	Confident	91.9	Very high	154 Å²	154	66.5 Å²	66.5	82%	0.824	35%	0.346	S	S	*	.			trans	55.8	30.3	178.8	-134.4	32.3	0	0	0	113
475	N	87.3	Confident	91.8	Very high	52 Å²	52	71.5 Å²	71.5	28%	0.278	37%	0.373	S	S	.	.			trans	-57.8	139.5	-179.5	-171.1	-44.3	0	0	0	111.4	N451 D473 H477 C478	N451-N475 HydrophobicContact CB-CB 4Å; D473-N475 PolarHBondContact O-N 2.95Å; N475-H477 VanDerWaalsContact C-N 3.27Å; N475-H477 PolarHBondContact O-N 3.09Å; N475-H477 PolarHBondContact OD1-N 3.45Å; N475-C478 WeakPolarHBondContact O-CB 3.5Å; N475-C478 PolarHBondContact O-N 3.06Å; N475-C478 VanDerWaalsContact O-N 3.08Å
476	K	87.9	Confident	91.8	Very high	101 Å²	101	72.5 Å²	72.5	44%	0.439	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-58.4	-38.7	-179.8	70.2	176.7	-173.2	172.4	0	112.2	Y464 C478 K479	Y464-K476 WeakPolarHBondContact CE1-O 3.34Å; K476-C478 PolarHBondContact O-N 3.18Å; K476-K479 WeakPolarHBondContact O-CB 3.14Å; K476-K479 PolarHBondContact O-N 3.1Å
477	H	90.4	Very high	91.8	Very high	51 Å²	51	71.5 Å²	71.5	24%	0.236	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-72.6	7.8	178.8	-62.4	-73.5	0	0	0	113.8	G450 G463 P465 N475	G450-H477 VanDerWaalsContact CA-O 3.22Å; G450-H477 WeakPolarHBondContact CA-O 3.28Å; G450-H477 PolarHBondContact N-O 2.88Å; G463-H477 PolarHBondContact O-ND1 2.86Å; P465-H477 WeakPolarHBondContact CD-O 3.3Å; N475-H477 VanDerWaalsContact C-N 3.27Å; N475-H477 PolarHBondContact O-N 3.09Å; N475-H477 PolarHBondContact OD1-N 3.45Å
478	C	94.4	Very high	91.9	Very high	7 Å²	7	64.8 Å²	64.8	5%	0.047	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-107.2	-4.2	170.6	-63.9	0	0	0	0	113.1	A468 L469 C471 N475 K476	A468-C478 WeakPolarHBondContact CA-O 3.45Å; L469-C478 HydrophobicContact CB-CB 4.05Å; L469-C478 PolarHBondContact N-O 3.35Å; C471-C478 HydrophobicContact CB-CB 3.49Å; C471-C478 VanDerWaalsContact CB-CB 3.49Å; C471-C478 WeakPolarHBondContact CB-SG 3.4Å; C471-C478 WeakPolarHBondContact SG-CB 2.95Å; C471-C478 CovalentContact SG-SG 2.02Å; C471-C478 PolarHBondContact SG-SG 3.18Å; N475-C478 WeakPolarHBondContact O-CB 3.5Å; N475-C478 PolarHBondContact O-N 3.06Å; N475-C478 VanDerWaalsContact O-N 3.08Å; K476-C478 PolarHBondContact O-N 3.18Å
479	K	94.8	Very high	91.9	Very high	140 Å²	140	61.7 Å²	61.7	61%	0.609	32%	0.317	S	S	*	.	S	Bend	trans	-71.9	153.5	170.8	-65.9	-178.6	-179.9	178.6	0	109.5	P465 K476	P465-K479 WeakPolarHBondContact CD-O 3.31Å; P465-K479 VanDerWaalsContact CG-O 3.28Å; P465-K479 WeakPolarHBondContact CG-O 3.11Å; K476-K479 WeakPolarHBondContact O-CB 3.14Å; K476-K479 PolarHBondContact O-N 3.1Å
480	Q	95.6	Very high	92	Very high	103 Å²	103	61.1 Å²	61.1	48%	0.481	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-68.6	135.6	174.6	-174.7	177.2	-11.5	0	0	109.5	D466 A468	D466-Q480 WeakPolarHBondContact O-CG 3.19Å; D466-Q480 PolarHBondContact O-NE2 3.02Å; A468-Q480 HydrophobicContact CB-CB 4.12Å
481	D	97.8	Very high	92.2	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.016	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-57.3	136.5	167.2	176.2	0.8	0	0	0	111.2	P465 C483 L484 Q491	P465-D481 PolarHBondContact O-N 3.01Å; D481-C483 VanDerWaalsContact OD1-C 3.27Å; D481-C483 WeakPolarHBondContact OD1-CA 3.16Å; D481-C483 PolarHBondContact OD1-N 3.05Å; D481-L484 WeakPolarHBondContact O-CD1 3.48Å; D481-L484 WeakPolarHBondContact OD2-CA 3.46Å; D481-L484 PolarHBondContact OD2-N 3.49Å; D481-Q491 PolarHBondContact OD1-OE1 2.96Å
482	N	96.7	Very high	92.6	Very high	25 Å²	25	59.7 Å²	59.7	13%	0.134	30%	0.301	C	S	.	.	S	Bend	trans	-95.9	-7.5	-178.8	64.2	-2.4	0	0	0	112.5	N488 Q491 G498 G500 C503	N482-N488 PolarHBondContact OD1-ND2 2.84Å; N482-Q491 PolarHBondContact ND2-O 2.95Å; N482-Q491 PolarHBondContact OD1-NE2 3.34Å; N482-G498 WeakPolarHBondContact CB-O 3.41Å; N482-G500 VanDerWaalsContact CG-CA 3.41Å; N482-G500 WeakPolarHBondContact ND2-CA 3.29Å; N482-G500 PolarHBondContact O-N 3.01Å; N482-G500 VanDerWaalsContact O-N 3.14Å; N482-C503 PolarHBondContact O-SG 2.53Å; N482-C503 VanDerWaalsContact O-SG 3.37Å
483	C	96.3	Very high	93.3	Very high	4 Å²	4	52.2 Å²	52.2	3%	0.027	27%	0.265	C	S	.	.	S	Bend	trans	-137.4	64.3	171.5	-69.3	0	0	0	0	113.9	D481 L485 T486 N488 G500 C503	D481-C483 VanDerWaalsContact OD1-C 3.27Å; D481-C483 WeakPolarHBondContact OD1-CA 3.16Å; D481-C483 PolarHBondContact OD1-N 3.05Å; C483-L485 PolarHBondContact O-N 3.47Å; C483-T486 PolarHBondContact O-N 3Å; C483-N488 WeakPolarHBondContact CB-OD1 3.33Å; C483-G500 VanDerWaalsContact SG-C 3.54Å; C483-G500 WeakPolarHBondContact SG-CA 3.04Å; C483-G500 PolarHBondContact SG-O 2.03Å; C483-C503 WeakPolarHBondContact CA-SG 3.03Å; C483-C503 HydrophobicContact CB-CB 3.68Å; C483-C503 WeakPolarHBondContact CB-SG 3.45Å; C483-C503 WeakPolarHBondContact SG-CB 3.07Å; C483-C503 PolarHBondContact SG-N 3.42Å; C483-C503 CovalentContact SG-SG 2.04Å; C483-C503 PolarHBondContact SG-SG 3.11Å
484	L	95.4	Very high	93.9	Very high	75 Å²	75	50 Å²	50	39%	0.393	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-34.1	-22.7	-177.2	-75.8	71.3	0	0	0	120.7	D481	D481-L484 WeakPolarHBondContact O-CD1 3.48Å; D481-L484 WeakPolarHBondContact OD2-CA 3.46Å; D481-L484 PolarHBondContact OD2-N 3.49Å
485	L	95.1	Very high	94.7	Very high	122 Å²	122	45.4 Å²	45.4	64%	0.639	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.6	-6.1	-174.9	-62.1	178.5	0	0	0	113.5	T459 C483 H782	T459-L485 HydrophobicContact CG2-CD2 3.92Å; C483-L485 PolarHBondContact O-N 3.47Å; L485-H782 PolarHBondContact O-CE1 3.33Å
486	T	95.7	Very high	95.1	Very high	21 Å²	21	49.1 Å²	49.1	13%	0.129	25%	0.254	C	S	.	.	S	Bend	trans	-129.3	108.6	-173.3	-54.2	0	0	0	0	107.6	D460 C483 N488 Q502 I928	D460-T486 PolarHBondContact OD2-N 2.71Å; C483-T486 PolarHBondContact O-N 3Å; T486-N488 PolarHBondContact O-N 2.84Å; T486-N488 PolarHBondContact O-OD1 2.78Å; T486-Q502 HydrophobicContact CG2-CG 3.6Å; T486-I928 HydrophobicContact CG2-CD1 4.03Å
487	P	97.3	Very high	95.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.257	C	S	.	.			trans	-56.3	125.4	-173.8	-25.6	33.4	0	0	0	111.8	D460 D462 T780 H782 S876 I928 S930	D460-P487 HydrophobicContact CB-CG 3.99Å; D460-P487 WeakPolarHBondContact O-CG 3.35Å; D460-P487 WeakPolarHBondContact OD2-CA 3.42Å; D462-P487 HydrophobicContact CB-CB 3.96Å; P487-T780 HydrophobicContact CG-CG2 4.22Å; P487-H782 WeakPolarHBondContact CD-ND1 3.08Å; P487-H782 HydrophobicContact CG-CB 3.74Å; P487-S876 WeakPolarHBondContact CG-OG 3.4Å; P487-I928 HydrophobicContact CB-CG2 4.37Å; P487-S930 VanDerWaalsContact CB-CB 3.46Å
488	N	96.5	Very high	95.6	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.011	27%	0.27	C	S	.	.			trans	-147.1	67.4	176	67	-41.6	0	0	0	108.8	D462 N482 C483 T486 G490 Q491 Q502	D462-N488 PolarHBondContact OD2-N 2.87Å; D462-N488 PolarHBondContact OD2-OD1 3.42Å; N482-N488 PolarHBondContact OD1-ND2 2.84Å; C483-N488 WeakPolarHBondContact CB-OD1 3.33Å; T486-N488 PolarHBondContact O-N 2.84Å; T486-N488 PolarHBondContact O-OD1 2.78Å; N488-G490 PolarHBondContact O-N 2.67Å; N488-Q491 WeakPolarHBondContact O-CA 3.16Å; N488-Q491 PolarHBondContact O-N 2.91Å; N488-Q502 HydrophobicContact CB-CB 3.9Å; N488-Q502 HydrophobicContact CB-CG 4.44Å
489	S	96.1	Very high	95.6	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.021	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-12.2	-172.3	60	0	0	0	0	115.1	D462 Y464 N750 E754 S930 N931	D462-S489 VanDerWaalsContact O-CB 3.28Å; D462-S489 WeakPolarHBondContact O-CB 3.03Å; Y464-S489 VanDerWaalsContact CE2-O 3.3Å; Y464-S489 WeakPolarHBondContact CE2-O 3.25Å; S489-N750 WeakPolarHBondContact CB-ND2 3.35Å; S489-N750 PolarHBondContact O-ND2 3.1Å; S489-N750 PolarHBondContact OG-ND2 3.4Å; S489-E754 WeakPolarHBondContact CB-OE2 3.22Å; S489-E754 PolarHBondContact N-OE2 3.46Å; S489-E754 PolarHBondContact OG-OE2 3.35Å; S489-S930 WeakPolarHBondContact CB-OG 3.46Å; S489-S930 PolarHBondContact OG-OG 3.47Å; S489-N931 PolarHBondContact OG-N 2.02Å; S489-N931 VanDerWaalsContact OG-N 3.12Å
490	G	95.4	Very high	95.7	Very high	20 Å²	20	44.1 Å²	44.1	21%	0.206	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-17.7	170.9	0	0	0	0	0	114.3	N488 E492 N750	N488-G490 PolarHBondContact O-N 2.67Å; G490-E492 WeakPolarHBondContact CA-OE2 3.37Å; G490-E492 PolarHBondContact O-N 2.91Å; G490-N750 VanDerWaalsContact CA-CG 3.41Å; G490-N750 WeakPolarHBondContact CA-OD1 2.98Å
491	Q	96.1	Very high	95.6	Very high	31 Å²	31	40.2 Å²	40.2	15%	0.145	24%	0.236	C	C	.	.			trans	55.3	30.8	-179.8	-65.6	-80.9	142.2	0	0	112.9	Y464 D481 N482 N488	Y464-Q491 HydrophobicContact CD1-CG 3.86Å; Y464-Q491 HydrophobicContact CD2-CG 3.5Å; Y464-Q491 HydrophobicContact CE1-CG 3.72Å; Y464-Q491 HydrophobicContact CE2-CG 3.37Å; Y464-Q491 HydrophobicContact CG-CG 3.75Å; Y464-Q491 VanDerWaalsContact CZ-CG 3.45Å; D481-Q491 PolarHBondContact OD1-OE1 2.96Å; N482-Q491 PolarHBondContact ND2-O 2.95Å; N482-Q491 PolarHBondContact OD1-NE2 3.34Å; N488-Q491 WeakPolarHBondContact O-CA 3.16Å; N488-Q491 PolarHBondContact O-N 2.91Å
492	E	95.2	Very high	95.4	Very high	61 Å²	61	41.9 Å²	41.9	29%	0.285	24%	0.244	S	C	.	.			trans	-59.5	138.2	176.9	-61.8	86.2	170.5	0	0	110.8	G490 G500 D501 N750	G490-E492 WeakPolarHBondContact CA-OE2 3.37Å; G490-E492 PolarHBondContact O-N 2.91Å; E492-G500 VanDerWaalsContact O-CA 3.3Å; E492-G500 WeakPolarHBondContact O-CA 3.43Å; E492-D501 VanDerWaalsContact CB-OD2 3.3Å; E492-D501 WeakPolarHBondContact CB-OD2 3.38Å; E492-D501 PolarHBondContact O-N 3.39Å; E492-N750 PolarHBondContact OE1-N 3.19Å
493	D	95.6	Very high	95.2	Very high	33 Å²	33	43.1 Å²	43.1	18%	0.176	25%	0.254	C	S	.	.			trans	-154.5	90.7	-173.4	174.6	-3.1	0	0	0	106.9	N496 D497 G498 V499 D501	D493-N496 VanDerWaalsContact CG-CA 3.5Å; D493-N496 PolarHBondContact O-ND2 3.31Å; D493-N496 WeakPolarHBondContact OD1-CA 3.31Å; D493-N496 PolarHBondContact OD1-N 3.14Å; D493-N496 WeakPolarHBondContact OD2-CA 3.14Å; D493-D497 PolarHBondContact OD1-N 2.96Å; D493-G498 WeakPolarHBondContact OD2-CA 2.96Å; D493-G498 PolarHBondContact OD2-N 3.34Å; D493-G498 VanDerWaalsContact OD2-N 3.12Å; D493-V499 VanDerWaalsContact CG-O 3.3Å; D493-D501 VanDerWaalsContact CA-OD1 3.3Å; D493-D501 WeakPolarHBondContact CA-OD1 3.12Å
494	A	94.8	Very high	95.2	Very high	43 Å²	43	44.1 Å²	44.1	36%	0.355	26%	0.259	S	S	.	.	S	Bend	trans	-69.9	-40.9	-168.5	0	0	0	0	0	112.2	N496 D501 A507	A494-N496 PolarHBondContact O-ND2 2.96Å; A494-D501 PolarHBondContact N-OD1 3.38Å; A494-A507 WeakPolarHBondContact CB-O 3.4Å
495	D	94.6	Very high	95.2	Very high	57 Å²	57	46.5 Å²	46.5	31%	0.305	27%	0.272	S	S	.	.	S	Bend	trans	-89.5	-8.8	179.8	89.3	-17.3	0	0	0	114.1	D497 A507 D508	D495-D497 VanDerWaalsContact C-N 3.3Å; D495-D497 PolarHBondContact O-N 2.98Å; D495-D497 VanDerWaalsContact OD1-CB 3.26Å; D495-D497 WeakPolarHBondContact OD1-CB 3.45Å; D495-D497 PolarHBondContact OD1-N 3.47Å; D495-A507 PolarHBondContact N-O 3.48Å; D495-D508 VanDerWaalsContact CB-C 3.48Å
496	N	95.4	Very high	95.2	Very high	129 Å²	129	42.4 Å²	42.4	69%	0.69	25%	0.251	S	S	*	.			trans	60.2	32.6	179.9	-65	-105.5	0	0	0	113.6	D493 A494 G498	D493-N496 VanDerWaalsContact CG-CA 3.5Å; D493-N496 PolarHBondContact O-ND2 3.31Å; D493-N496 WeakPolarHBondContact OD1-CA 3.31Å; D493-N496 PolarHBondContact OD1-N 3.14Å; D493-N496 WeakPolarHBondContact OD2-CA 3.14Å; A494-N496 PolarHBondContact O-ND2 2.96Å; N496-G498 VanDerWaalsContact C-N 3.28Å
497	D	94.8	Very high	95.2	Very high	94 Å²	94	41.4 Å²	41.4	50%	0.503	25%	0.245	S	C	.	.	S	Bend	trans	-80	-11.3	175.6	93.4	-12.4	0	0	0	113.4	D493 D495 V499	D493-D497 PolarHBondContact OD1-N 2.96Å; D495-D497 VanDerWaalsContact C-N 3.3Å; D495-D497 PolarHBondContact O-N 2.98Å; D495-D497 VanDerWaalsContact OD1-CB 3.26Å; D495-D497 WeakPolarHBondContact OD1-CB 3.45Å; D495-D497 PolarHBondContact OD1-N 3.47Å; D497-V499 WeakPolarHBondContact OD1-CA 2.97Å; D497-V499 VanDerWaalsContact OD1-CB 3.24Å; D497-V499 WeakPolarHBondContact OD1-CB 3.33Å; D497-V499 WeakPolarHBondContact OD1-CG2 3.47Å; D497-V499 PolarHBondContact OD1-N 3.3Å
498	G	93.3	Very high	95.1	Very high	49 Å²	49	41.8 Å²	41.8	51%	0.505	25%	0.247	S	C	.	.	S	Bend	trans	95.4	2.6	179.9	0	0	0	0	0	114.8	N482 D493 N496	N482-G498 WeakPolarHBondContact CB-O 3.41Å; D493-G498 WeakPolarHBondContact OD2-CA 2.96Å; D493-G498 PolarHBondContact OD2-N 3.34Å; D493-G498 VanDerWaalsContact OD2-N 3.12Å; N496-G498 VanDerWaalsContact C-N 3.28Å
499	V	96.1	Very high	95	Very high	51 Å²	51	43.5 Å²	43.5	31%	0.309	27%	0.265	S	S	.	.	S	Bend	trans	-96.9	135.4	165.4	-175.1	0	0	0	0	107.7	D493 D497 D504	D493-V499 VanDerWaalsContact CG-O 3.3Å; D497-V499 WeakPolarHBondContact OD1-CA 2.97Å; D497-V499 VanDerWaalsContact OD1-CB 3.24Å; D497-V499 WeakPolarHBondContact OD1-CB 3.33Å; D497-V499 WeakPolarHBondContact OD1-CG2 3.47Å; D497-V499 PolarHBondContact OD1-N 3.3Å; V499-D504 HydrophobicContact CG1-CB 3.93Å
500	G	95.6	Very high	95	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	27%	0.266	C	S	.	.			trans	-78.1	152	179.6	0	0	0	0	0	112.6	N482 C483 E492 Q502 C503 D504	N482-G500 VanDerWaalsContact CG-CA 3.41Å; N482-G500 WeakPolarHBondContact ND2-CA 3.29Å; N482-G500 PolarHBondContact O-N 3.01Å; N482-G500 VanDerWaalsContact O-N 3.14Å; C483-G500 VanDerWaalsContact SG-C 3.54Å; C483-G500 WeakPolarHBondContact SG-CA 3.04Å; C483-G500 PolarHBondContact SG-O 2.03Å; E492-G500 VanDerWaalsContact O-CA 3.3Å; E492-G500 WeakPolarHBondContact O-CA 3.43Å; G500-Q502 PolarHBondContact O-N 2.03Å; G500-C503 PolarHBondContact O-N 2.89Å; G500-C503 PolarHBondContact O-SG 3.15Å; G500-D504 PolarHBondContact O-N 3.43Å
501	D	94.5	Very high	95	Very high	21 Å²	21	45.6 Å²	45.6	11%	0.112	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-32.7	-175.3	-66.2	-17.8	0	0	0	113.1	E492 D493 A494 A507 R520 L521	E492-D501 VanDerWaalsContact CB-OD2 3.3Å; E492-D501 WeakPolarHBondContact CB-OD2 3.38Å; E492-D501 PolarHBondContact O-N 3.39Å; D493-D501 VanDerWaalsContact CA-OD1 3.3Å; D493-D501 WeakPolarHBondContact CA-OD1 3.12Å; A494-D501 PolarHBondContact N-OD1 3.38Å; D501-A507 HydrophobicContact CB-CB 4.34Å; D501-R520 PolarHBondContact O-NH2 2.67Å; D501-L521 HydrophobicContact CB-CD2 4.13Å
502	Q	92.6	Very high	95	Very high	39 Å²	39	45.7 Å²	45.7	18%	0.182	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-21.1	-174.6	-167.4	61.6	-5.6	0	0	113.9	T486 N488 G500	T486-Q502 HydrophobicContact CG2-CG 3.6Å; N488-Q502 HydrophobicContact CB-CB 3.9Å; N488-Q502 HydrophobicContact CB-CG 4.44Å; G500-Q502 PolarHBondContact O-N 2.03Å
503	C	93.6	Very high	94.9	Very high	51 Å²	51	48.5 Å²	48.5	35%	0.345	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	2.8	178.2	66.3	0	0	0	0	113.6	N482 C483 G500	N482-C503 PolarHBondContact O-SG 2.53Å; N482-C503 VanDerWaalsContact O-SG 3.37Å; C483-C503 WeakPolarHBondContact CA-SG 3.03Å; C483-C503 HydrophobicContact CB-CB 3.68Å; C483-C503 WeakPolarHBondContact CB-SG 3.45Å; C483-C503 WeakPolarHBondContact SG-CB 3.07Å; C483-C503 PolarHBondContact SG-N 3.42Å; C483-C503 CovalentContact SG-SG 2.04Å; C483-C503 PolarHBondContact SG-SG 3.11Å; G500-C503 PolarHBondContact O-N 2.89Å; G500-C503 PolarHBondContact O-SG 3.15Å
504	D	95.4	Very high	94.8	Very high	25 Å²	25	48.1 Å²	48.1	13%	0.134	30%	0.296	C	S	.	.			trans	-77.8	142.9	172	-153.2	-30	0	0	0	112.1	V499 G500 D506 A507 N514	V499-D504 HydrophobicContact CG1-CB 3.93Å; G500-D504 PolarHBondContact O-N 3.43Å; D504-D506 PolarHBondContact OD1-N 3Å; D504-A507 HydrophobicContact CB-CB 4.2Å; D504-N514 PolarHBondContact O-ND2 3.11Å
505	D	94.6	Very high	94.5	Very high	124 Å²	124	52.4 Å²	52.4	66%	0.663	32%	0.317	S	S	*	.	S	Bend	trans	-79.9	-23.4	171.5	-78.4	-26.5	0	0	0	112.1	K513 N514	D505-K513 WeakPolarHBondContact O-CA 3.39Å; D505-N514 PolarHBondContact O-N 3.47Å
506	D	95.6	Very high	94.5	Very high	36 Å²	36	56.7 Å²	56.7	19%	0.193	34%	0.336	C	S	.	.	S	Bend	trans	-147.2	75.5	-174.7	177.5	8.7	0	0	0	108.9	D504 D508 G509 D510 G511 I512 N514	D504-D506 PolarHBondContact OD1-N 3Å; D506-D508 PolarHBondContact O-N 3.22Å; D506-G509 PolarHBondContact O-N 2.78Å; D506-G509 VanDerWaalsContact O-N 3.15Å; D506-G509 WeakPolarHBondContact OD1-CA 3.31Å; D506-G509 PolarHBondContact OD1-N 2.93Å; D506-D510 PolarHBondContact OD1-N 2.67Å; D506-G511 WeakPolarHBondContact OD2-CA 3.21Å; D506-G511 PolarHBondContact OD2-N 2.78Å; D506-I512 VanDerWaalsContact OD1-O 3.11Å; D506-N514 WeakPolarHBondContact CA-OD1 3.36Å
507	A	95.4	Very high	94.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-22.7	-163.4	0	0	0	0	0	114.2	A494 D495 D501 D504 N514 R520 L521	A494-A507 WeakPolarHBondContact CB-O 3.4Å; D495-A507 PolarHBondContact N-O 3.48Å; D501-A507 HydrophobicContact CB-CB 4.34Å; D504-A507 HydrophobicContact CB-CB 4.2Å; A507-N514 PolarHBondContact N-OD1 2.05Å; A507-R520 HydrophobicContact CB-CG 4.44Å; A507-L521 HydrophobicContact CB-CD2 4.17Å
508	D	95.4	Very high	94.5	Very high	9 Å²	9	48.2 Å²	48.2	5%	0.048	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-2.5	179.2	77.3	0.8	0	0	0	113.6	D495 D506 D510 F522 P523	D495-D508 VanDerWaalsContact CB-C 3.48Å; D506-D508 PolarHBondContact O-N 3.22Å; D508-D510 VanDerWaalsContact C-N 3.26Å; D508-D510 PolarHBondContact O-N 2.98Å; D508-D510 VanDerWaalsContact OD1-CB 3.29Å; D508-D510 WeakPolarHBondContact OD1-CB 3.37Å; D508-D510 PolarHBondContact OD1-N 3.07Å; D508-F522 PolarHBondContact OD2-N 3.21Å; D508-P523 HydrophobicContact CB-CG 3.93Å; D508-P523 WeakPolarHBondContact O-CG 3.31Å; D508-P523 WeakPolarHBondContact OD2-CA 3.43Å
509	G	95.6	Very high	94.5	Very high	38 Å²	38	46 Å²	46	39%	0.392	27%	0.267	S	S	.	.			trans	66.9	22.4	175.3	0	0	0	0	0	114.1	D506 G511	D506-G509 PolarHBondContact O-N 2.78Å; D506-G509 VanDerWaalsContact O-N 3.15Å; D506-G509 WeakPolarHBondContact OD1-CA 3.31Å; D506-G509 PolarHBondContact OD1-N 2.93Å; G509-G511 VanDerWaalsContact C-N 3.29Å
510	D	95.8	Very high	94.4	Very high	6 Å²	6	48.1 Å²	48.1	3%	0.032	27%	0.27	C	S	.	.	S	Bend	trans	-81.2	-11.4	-178.9	102.5	-14	0	0	0	113	D506 D508 I512 P523 N524 K525	D506-D510 PolarHBondContact OD1-N 2.67Å; D508-D510 VanDerWaalsContact C-N 3.26Å; D508-D510 PolarHBondContact O-N 2.98Å; D508-D510 VanDerWaalsContact OD1-CB 3.29Å; D508-D510 WeakPolarHBondContact OD1-CB 3.37Å; D508-D510 PolarHBondContact OD1-N 3.07Å; D510-I512 WeakPolarHBondContact OD1-CA 3.4Å; D510-I512 WeakPolarHBondContact OD1-CB 3.14Å; D510-I512 VanDerWaalsContact OD1-CG1 3.27Å; D510-I512 WeakPolarHBondContact OD1-CG1 3.05Å; D510-I512 PolarHBondContact OD1-N 2.84Å; D510-P523 HydrophobicContact CB-CB 3.85Å; D510-N524 PolarHBondContact OD2-N 3.38Å; D510-K525 HydrophobicContact CB-CG 4.04Å; D510-K525 WeakPolarHBondContact O-CE 3.07Å; D510-K525 WeakPolarHBondContact O-CG 3.42Å; D510-K525 PolarHBondContact O-NZ 2.74Å; D510-K525 WeakPolarHBondContact OD2-CA 3.44Å; D510-K525 PolarHBondContact OD2-N 3.48Å
511	G	94.8	Very high	94.3	Very high	60 Å²	60	51.9 Å²	51.9	62%	0.619	29%	0.289	S	S	*	.	S	Bend	trans	92.4	4.8	178.4	0	0	0	0	0	114.3	D506 G509	D506-G511 WeakPolarHBondContact OD2-CA 3.21Å; D506-G511 PolarHBondContact OD2-N 2.78Å; G509-G511 VanDerWaalsContact C-N 3.29Å
512	I	95.6	Very high	94.3	Very high	34 Å²	34	56.4 Å²	56.4	17%	0.174	31%	0.308	C	S	.	.	S	Bend	trans	-103.2	135.1	170.5	-55	177.5	0	0	0	107.1	D506 D510 E516 D517 Q527	D506-I512 VanDerWaalsContact OD1-O 3.11Å; D510-I512 WeakPolarHBondContact OD1-CA 3.4Å; D510-I512 WeakPolarHBondContact OD1-CB 3.14Å; D510-I512 VanDerWaalsContact OD1-CG1 3.27Å; D510-I512 WeakPolarHBondContact OD1-CG1 3.05Å; D510-I512 PolarHBondContact OD1-N 2.84Å; I512-E516 HydrophobicContact CG2-CB 4.18Å; I512-D517 HydrophobicContact CB-CB 4.36Å; I512-D517 HydrophobicContact CG2-CB 3.82Å; I512-Q527 HydrophobicContact CD1-CG 3.33Å
513	K	95.1	Very high	94.4	Very high	120 Å²	120	58.9 Å²	58.9	52%	0.522	33%	0.328	S	S	.	.			trans	-75.3	147.1	-177.4	-64.8	-175.7	173.3	-162.5	0	110.4	D505 V515 E516 D517	D505-K513 WeakPolarHBondContact O-CA 3.39Å; K513-V515 HydrophobicContact CB-CG2 4.25Å; K513-V515 PolarHBondContact O-N 2.96Å; K513-E516 CarbonylContact O-C 3.54Å; K513-E516 WeakPolarHBondContact O-CA 3.22Å; K513-E516 PolarHBondContact O-N 3.06Å; K513-D517 WeakPolarHBondContact O-CB 3Å; K513-D517 PolarHBondContact O-N 3.34Å
514	N	91.9	Very high	94.5	Very high	24 Å²	24	56.7 Å²	56.7	13%	0.128	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-31.6	178.4	-69	-9.7	0	0	0	115	D504 D505 D506 A507 R520	D504-N514 PolarHBondContact O-ND2 3.11Å; D505-N514 PolarHBondContact O-N 3.47Å; D506-N514 WeakPolarHBondContact CA-OD1 3.36Å; A507-N514 PolarHBondContact N-OD1 2.05Å; N514-R520 HydrophobicContact CB-CG 4.06Å; N514-R520 PolarHBondContact ND2-NE 2.81Å
515	V	89.8	Confident	94.5	Very high	133 Å²	133	62.8 Å²	62.8	81%	0.806	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-18.6	179.9	-62.9	0	0	0	0	114.5	K513	K513-V515 HydrophobicContact CB-CG2 4.25Å; K513-V515 PolarHBondContact O-N 2.96Å
516	E	94.1	Very high	94.5	Very high	148 Å²	148	62.4 Å²	62.4	69%	0.692	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-11.2	177.7	-72.2	173.8	-166.7	0	0	111.9	I512 K513 Q527	I512-E516 HydrophobicContact CG2-CB 4.18Å; K513-E516 CarbonylContact O-C 3.54Å; K513-E516 WeakPolarHBondContact O-CA 3.22Å; K513-E516 PolarHBondContact O-N 3.06Å; E516-Q527 PolarHBondContact O-OE1 2.92Å
517	D	95.5	Very high	94.5	Very high	15 Å²	15	63 Å²	63	8%	0.08	34%	0.338	C	S	.	.			trans	-90.1	124.8	-175	-174.8	5.3	0	0	0	111.7	I512 K513 C519 R520 N524 Q527	I512-D517 HydrophobicContact CB-CB 4.36Å; I512-D517 HydrophobicContact CG2-CB 3.82Å; K513-D517 WeakPolarHBondContact O-CB 3Å; K513-D517 PolarHBondContact O-N 3.34Å; D517-C519 VanDerWaalsContact C-N 3.32Å; D517-C519 PolarHBondContact OD1-N 2.85Å; D517-R520 VanDerWaalsContact OD2-CA 3.29Å; D517-R520 WeakPolarHBondContact OD2-CA 3.36Å; D517-R520 PolarHBondContact OD2-N 3.19Å; D517-N524 PolarHBondContact OD1-OD1 3.16Å; D517-Q527 PolarHBondContact OD1-NE2 3.01Å
518	N	94	Very high	94.6	Very high	30 Å²	30	67.9 Å²	67.9	16%	0.16	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-2.5	174.5	66.3	2	0	0	0	114.2	N524 Q527 F535 G536 C539	N518-N524 PolarHBondContact OD1-ND2 3.14Å; N518-Q527 PolarHBondContact ND2-O 2.92Å; N518-Q527 VanDerWaalsContact OD1-CD 3.31Å; N518-Q527 PolarHBondContact OD1-NE2 2.74Å; N518-Q527 PolarHBondContact OD1-OE1 3.41Å; N518-Q527 VanDerWaalsContact OD1-OE1 3.13Å; N518-F535 WeakPolarHBondContact O-CA 3.47Å; N518-G536 WeakPolarHBondContact ND2-CA 3.23Å; N518-G536 PolarHBondContact O-N 3.43Å; N518-C539 PolarHBondContact O-SG 3.08Å; N518-C539 VanDerWaalsContact O-SG 3.39Å
519	C	94.5	Very high	94.6	Very high	3 Å²	3	69.5 Å²	69.5	2%	0.02	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.2	61.5	173.1	-73.2	0	0	0	0	112.3	D517 L521 F522 N524 G536 C539	D517-C519 VanDerWaalsContact C-N 3.32Å; D517-C519 PolarHBondContact OD1-N 2.85Å; C519-L521 PolarHBondContact O-N 3.36Å; C519-F522 HydrophobicContact CB-CB 4.27Å; C519-F522 WeakPolarHBondContact CB-O 3.45Å; C519-F522 PolarHBondContact O-N 2.98Å; C519-N524 HydrophobicContact CB-CB 4.5Å; C519-N524 WeakPolarHBondContact CB-ND2 3.33Å; C519-N524 WeakPolarHBondContact CB-OD1 3.25Å; C519-G536 WeakPolarHBondContact SG-CA 3.36Å; C519-G536 PolarHBondContact SG-N 3.21Å; C519-G536 VanDerWaalsContact SG-N 3.38Å; C519-G536 PolarHBondContact SG-O 2.93Å; C519-C539 WeakPolarHBondContact CA-SG 3.22Å; C519-C539 HydrophobicContact CB-CB 3.69Å; C519-C539 WeakPolarHBondContact CB-SG 3.49Å; C519-C539 WeakPolarHBondContact SG-CB 3.33Å; C519-C539 PolarHBondContact SG-N 3.44Å; C519-C539 CovalentContact SG-SG 2.04Å; C519-C539 PolarHBondContact SG-SG 3.06Å
520	R	93.4	Very high	94.6	Very high	95 Å²	95	70.6 Å²	70.6	36%	0.358	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-39.4	-32.1	-176	-176.5	176.9	175.3	-155.9	-4.6	117.7	D501 A507 N514 D517	D501-R520 PolarHBondContact O-NH2 2.67Å; A507-R520 HydrophobicContact CB-CG 4.44Å; N514-R520 HydrophobicContact CB-CG 4.06Å; N514-R520 PolarHBondContact ND2-NE 2.81Å; D517-R520 VanDerWaalsContact OD2-CA 3.29Å; D517-R520 WeakPolarHBondContact OD2-CA 3.36Å; D517-R520 PolarHBondContact OD2-N 3.19Å
521	L	93.6	Very high	94.6	Very high	78 Å²	78	71.3 Å²	71.3	41%	0.408	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	1.1	-175.2	-56.4	179.1	0	0	0	113.3	D501 A507 C519	D501-L521 HydrophobicContact CB-CD2 4.13Å; A507-L521 HydrophobicContact CB-CD2 4.17Å; C519-L521 PolarHBondContact O-N 3.36Å
522	F	94.4	Very high	94.5	Very high	116 Å²	116	74.2 Å²	74.2	51%	0.509	38%	0.38	S	S	.	.	S	Bend	trans	-136.9	109.9	-171.6	-70.1	-85.5	0	0	0	111.7	D508 C519 N524 C539	D508-F522 PolarHBondContact OD2-N 3.21Å; C519-F522 HydrophobicContact CB-CB 4.27Å; C519-F522 WeakPolarHBondContact CB-O 3.45Å; C519-F522 PolarHBondContact O-N 2.98Å; F522-N524 PolarHBondContact O-N 2.82Å; F522-N524 VanDerWaalsContact O-N 3.11Å; F522-N524 PolarHBondContact O-OD1 3.48Å; F522-C539 HydrophobicContact CB-CB 3.99Å; F522-C539 HydrophobicContact CD2-CB 3.51Å; F522-C539 HydrophobicContact CE2-CB 4.24Å; F522-C539 HydrophobicContact CG-CB 3.97Å
523	P	95.6	Very high	94.4	Very high	92 Å²	92	73.5 Å²	73.5	60%	0.597	38%	0.377	S	S	*	.			trans	-57.3	114.1	-170.4	-28.5	35.7	0	0	0	114.7	D508 D510	D508-P523 HydrophobicContact CB-CG 3.93Å; D508-P523 WeakPolarHBondContact O-CG 3.31Å; D508-P523 WeakPolarHBondContact OD2-CA 3.43Å; D510-P523 HydrophobicContact CB-CB 3.85Å
524	N	95.5	Very high	94.2	Very high	5 Å²	5	71.4 Å²	71.4	3%	0.027	38%	0.377	C	S	.	.			trans	-145.3	69.5	-176.4	74.8	-33.1	0	0	0	113.6	D510 D517 N518 C519 F522 D526 Q527 A538	D510-N524 PolarHBondContact OD2-N 3.38Å; D517-N524 PolarHBondContact OD1-OD1 3.16Å; N518-N524 PolarHBondContact OD1-ND2 3.14Å; C519-N524 HydrophobicContact CB-CB 4.5Å; C519-N524 WeakPolarHBondContact CB-ND2 3.33Å; C519-N524 WeakPolarHBondContact CB-OD1 3.25Å; F522-N524 PolarHBondContact O-N 2.82Å; F522-N524 VanDerWaalsContact O-N 3.11Å; F522-N524 PolarHBondContact O-OD1 3.48Å; N524-D526 PolarHBondContact O-N 3.1Å; N524-Q527 PolarHBondContact ND2-NE2 2.78Å; N524-Q527 PolarHBondContact O-N 3.14Å; N524-Q527 PolarHBondContact O-NE2 3.25Å; N524-Q527 PolarHBondContact OD1-NE2 2.86Å; N524-A538 HydrophobicContact CB-CB 3.43Å; N524-A538 VanDerWaalsContact CB-CB 3.43Å
525	K	95.3	Very high	94.2	Very high	153 Å²	153	73.4 Å²	73.4	67%	0.665	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-17.3	-178	-55.5	-173	-168.2	-109.8	0	116.3	D510	D510-K525 HydrophobicContact CB-CG 4.04Å; D510-K525 WeakPolarHBondContact O-CE 3.07Å; D510-K525 WeakPolarHBondContact O-CG 3.42Å; D510-K525 PolarHBondContact O-NZ 2.74Å; D510-K525 WeakPolarHBondContact OD2-CA 3.44Å; D510-K525 PolarHBondContact OD2-N 3.48Å
526	D	94.6	Very high	94.5	Very high	116 Å²	116	67.1 Å²	67.1	62%	0.62	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-16.2	176.7	59	-7	0	0	0	113.6	N524 Q528	N524-D526 PolarHBondContact O-N 3.1Å; D526-Q528 PolarHBondContact O-N 3.03Å; D526-Q528 VanDerWaalsContact O-N 3.13Å
527	Q	95.9	Very high	94.6	Very high	49 Å²	49	62 Å²	62	23%	0.229	32%	0.324	C	S	.	.			trans	49.8	35.4	179.7	-64.3	-77	-66.1	0	0	111.8	I512 E516 D517 N518 N524 N529	I512-Q527 HydrophobicContact CD1-CG 3.33Å; E516-Q527 PolarHBondContact O-OE1 2.92Å; D517-Q527 PolarHBondContact OD1-NE2 3.01Å; N518-Q527 PolarHBondContact ND2-O 2.92Å; N518-Q527 VanDerWaalsContact OD1-CD 3.31Å; N518-Q527 PolarHBondContact OD1-NE2 2.74Å; N518-Q527 PolarHBondContact OD1-OE1 3.41Å; N518-Q527 VanDerWaalsContact OD1-OE1 3.13Å; N524-Q527 PolarHBondContact ND2-NE2 2.78Å; N524-Q527 PolarHBondContact O-N 3.14Å; N524-Q527 PolarHBondContact O-NE2 3.25Å; N524-Q527 PolarHBondContact OD1-NE2 2.86Å; Q527-N529 PolarHBondContact O-N 2.88Å
528	Q	96.6	Very high	94.5	Very high	102 Å²	102	64 Å²	64	48%	0.477	34%	0.342	S	S	.	.			trans	-66.5	133.7	179.6	-167.7	179.4	-35.9	0	0	109.1	D526 S530 G536 D537	D526-Q528 PolarHBondContact O-N 3.03Å; D526-Q528 VanDerWaalsContact O-N 3.13Å; Q528-S530 PolarHBondContact NE2-OG 2.91Å; Q528-G536 CarbonylContact O-C 3.58Å; Q528-G536 WeakPolarHBondContact O-CA 3.47Å; Q528-D537 VanDerWaalsContact CD-OD2 3.25Å; Q528-D537 VanDerWaalsContact CG-OD2 3.3Å; Q528-D537 WeakPolarHBondContact CG-OD2 3.29Å; Q528-D537 PolarHBondContact NE2-OD2 2.82Å; Q528-D537 PolarHBondContact O-N 3.27Å
529	N	95.4	Very high	94.6	Very high	42 Å²	42	63.8 Å²	63.8	23%	0.225	34%	0.343	C	S	.	.			trans	-146.2	107.3	176.5	176.4	-23.1	0	0	0	107.3	Q527 D531 T532 D533 F535 D537	Q527-N529 PolarHBondContact O-N 2.88Å; N529-D531 PolarHBondContact OD1-OD1 2.77Å; N529-T532 WeakPolarHBondContact OD1-CA 3.31Å; N529-T532 PolarHBondContact OD1-N 2.7Å; N529-D533 PolarHBondContact ND2-O 2.86Å; N529-F535 PolarHBondContact ND2-O 2.9Å; N529-D537 VanDerWaalsContact CA-OD1 3.27Å; N529-D537 WeakPolarHBondContact CA-OD1 3.42Å
530	S	95.8	Very high	94.6	Very high	62 Å²	62	64.1 Å²	64.1	43%	0.434	35%	0.345	S	S	.	.	S	Bend	trans	-83.7	-27.6	-166.4	-74.4	0	0	0	0	113.6	Q528 D537 P543	Q528-S530 PolarHBondContact NE2-OG 2.91Å; S530-D537 WeakPolarHBondContact CB-OD1 3.37Å; S530-D537 PolarHBondContact N-OD1 3.17Å; S530-D537 PolarHBondContact OG-OD1 3.4Å; S530-D537 PolarHBondContact OG-OD2 2.99Å; S530-P543 VanDerWaalsContact CB-O 3.27Å; S530-P543 WeakPolarHBondContact CB-O 3.25Å
531	D	94.6	Very high	94.7	Very high	20 Å²	20	61 Å²	61	11%	0.107	34%	0.335	C	S	.	.	S	Bend	trans	-112.8	-3.3	-177.9	68.5	5.8	0	0	0	114.3	N529 D533 V545 P546	N529-D531 PolarHBondContact OD1-OD1 2.77Å; D531-D533 PolarHBondContact OD1-N 2.81Å; D531-V545 WeakPolarHBondContact OD2-CA 3.31Å; D531-V545 PolarHBondContact OD2-N 3.24Å; D531-P546 HydrophobicContact CB-CG 3.89Å; D531-P546 WeakPolarHBondContact OD2-CA 3.24Å
532	T	93.4	Very high	94.8	Very high	122 Å²	122	57.3 Å²	57.3	75%	0.748	32%	0.316	S	S	*	.			trans	68.4	27.6	173.2	65	0	0	0	0	115.3	N529	N529-T532 WeakPolarHBondContact OD1-CA 3.31Å; N529-T532 PolarHBondContact OD1-N 2.7Å
533	D	92.8	Very high	94.9	Very high	18 Å²	18	54 Å²	54	10%	0.096	31%	0.306	C	S	.	.	S	Bend	trans	-79.3	-165.8	169.8	91.7	-7.5	0	0	0	111.8	N529 D531 F535 P546 N547	N529-D533 PolarHBondContact ND2-O 2.86Å; D531-D533 PolarHBondContact OD1-N 2.81Å; D533-F535 VanDerWaalsContact C-N 3.33Å; D533-F535 WeakPolarHBondContact OD1-CA 3.39Å; D533-F535 PolarHBondContact OD1-N 2.99Å; D533-F535 VanDerWaalsContact OD1-O 3.09Å; D533-P546 HydrophobicContact CB-CB 3.82Å; D533-N547 PolarHBondContact OD2-N 3.29Å
534	S	90.8	Very high	94.9	Very high	77 Å²	77	55.8 Å²	55.8	54%	0.538	31%	0.311	S	S	.	.	S	Bend	trans	-79.6	-13.5	-177.1	-50.6	0	0	0	0	113.9	N548	S534-N548 VanDerWaalsContact CB-OD1 3.25Å; S534-N548 WeakPolarHBondContact CB-OD1 3.43Å; S534-N548 PolarHBondContact N-OD1 2.9Å; S534-N548 PolarHBondContact OG-OD1 3Å
535	F	93.4	Very high	94.9	Very high	66 Å²	66	58.4 Å²	58.4	29%	0.289	33%	0.327	S	S	.	.	S	Bend	trans	-106	145	-175.8	-65.4	-90.2	0	0	0	110.7	N518 N529 D533 D540 N548 Q550	N518-F535 WeakPolarHBondContact O-CA 3.47Å; N529-F535 PolarHBondContact ND2-O 2.9Å; D533-F535 VanDerWaalsContact C-N 3.33Å; D533-F535 WeakPolarHBondContact OD1-CA 3.39Å; D533-F535 PolarHBondContact OD1-N 2.99Å; D533-F535 VanDerWaalsContact OD1-O 3.09Å; F535-D540 HydrophobicContact CB-CB 4.04Å; F535-N548 VanDerWaalsContact CE2-O 3.31Å; F535-N548 WeakPolarHBondContact CE2-O 3.11Å; F535-Q550 HydrophobicContact CD1-CG 3.87Å; F535-Q550 HydrophobicContact CD2-CG 3.47Å; F535-Q550 VanDerWaalsContact CD2-CG 3.47Å; F535-Q550 HydrophobicContact CE1-CG 3.83Å; F535-Q550 HydrophobicContact CE2-CG 3.46Å; F535-Q550 VanDerWaalsContact CE2-CG 3.46Å; F535-Q550 HydrophobicContact CG-CG 3.7Å; F535-Q550 HydrophobicContact CZ-CG 3.63Å
536	G	95.3	Very high	94.9	Very high	0 Å²	0	55 Å²	55	0%	0	32%	0.321	C	S	.	.			trans	-85.5	157.9	174.3	0	0	0	0	0	112.3	N518 C519 Q528 A538 C539 D540	N518-G536 WeakPolarHBondContact ND2-CA 3.23Å; N518-G536 PolarHBondContact O-N 3.43Å; C519-G536 WeakPolarHBondContact SG-CA 3.36Å; C519-G536 PolarHBondContact SG-N 3.21Å; C519-G536 VanDerWaalsContact SG-N 3.38Å; C519-G536 PolarHBondContact SG-O 2.93Å; Q528-G536 CarbonylContact O-C 3.58Å; Q528-G536 WeakPolarHBondContact O-CA 3.47Å; G536-A538 PolarHBondContact O-N 2.91Å; G536-C539 PolarHBondContact O-N 2.95Å; G536-C539 PolarHBondContact O-SG 3.43Å; G536-D540 WeakPolarHBondContact O-CB 3.35Å; G536-D540 PolarHBondContact O-N 3.32Å
537	D	95.5	Very high	94.8	Very high	41 Å²	41	49.9 Å²	49.9	22%	0.219	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-21.1	-179.3	-70.3	9.2	0	0	0	113.8	Q528 N529 S530	Q528-D537 VanDerWaalsContact CD-OD2 3.25Å; Q528-D537 VanDerWaalsContact CG-OD2 3.3Å; Q528-D537 WeakPolarHBondContact CG-OD2 3.29Å; Q528-D537 PolarHBondContact NE2-OD2 2.82Å; Q528-D537 PolarHBondContact O-N 3.27Å; N529-D537 VanDerWaalsContact CA-OD1 3.27Å; N529-D537 WeakPolarHBondContact CA-OD1 3.42Å; S530-D537 WeakPolarHBondContact CB-OD1 3.37Å; S530-D537 PolarHBondContact N-OD1 3.17Å; S530-D537 PolarHBondContact OG-OD1 3.4Å; S530-D537 PolarHBondContact OG-OD2 2.99Å
538	A	95.3	Very high	94.5	Very high	56 Å²	56	52 Å²	52	46%	0.463	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-25.7	-178.5	0	0	0	0	0	114.1	N524 G536	N524-A538 HydrophobicContact CB-CB 3.43Å; N524-A538 VanDerWaalsContact CB-CB 3.43Å; G536-A538 PolarHBondContact O-N 2.91Å
539	C	94.1	Very high	93.9	Very high	27 Å²	27	52.8 Å²	52.8	18%	0.182	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125	-4.9	-177.4	62.1	0	0	0	0	113.1	N518 C519 F522 G536 Q550	N518-C539 PolarHBondContact O-SG 3.08Å; N518-C539 VanDerWaalsContact O-SG 3.39Å; C519-C539 WeakPolarHBondContact CA-SG 3.22Å; C519-C539 HydrophobicContact CB-CB 3.69Å; C519-C539 WeakPolarHBondContact CB-SG 3.49Å; C519-C539 WeakPolarHBondContact SG-CB 3.33Å; C519-C539 PolarHBondContact SG-N 3.44Å; C519-C539 CovalentContact SG-SG 2.04Å; C519-C539 PolarHBondContact SG-SG 3.06Å; F522-C539 HydrophobicContact CB-CB 3.99Å; F522-C539 HydrophobicContact CD2-CB 3.51Å; F522-C539 HydrophobicContact CE2-CB 4.24Å; F522-C539 HydrophobicContact CG-CB 3.97Å; G536-C539 PolarHBondContact O-N 2.95Å; G536-C539 PolarHBondContact O-SG 3.43Å; C539-Q550 PolarHBondContact O-OE1 2.83Å
540	D	95.9	Very high	93.7	Very high	10 Å²	10	52.5 Å²	52.5	5%	0.053	31%	0.311	C	S	.	.			trans	-78.1	119.9	176.5	-177	1.9	0	0	0	110.7	F535 G536 C542 P543 N547 Q550	F535-D540 HydrophobicContact CB-CB 4.04Å; G536-D540 WeakPolarHBondContact O-CB 3.35Å; G536-D540 PolarHBondContact O-N 3.32Å; D540-C542 VanDerWaalsContact CG-C 3.49Å; D540-C542 PolarHBondContact O-N 2.67Å; D540-C542 VanDerWaalsContact OD1-C 3.28Å; D540-C542 WeakPolarHBondContact OD1-CA 3.41Å; D540-C542 PolarHBondContact OD1-N 3.05Å; D540-P543 WeakPolarHBondContact O-CD 3.44Å; D540-P543 WeakPolarHBondContact O-CG 3.45Å; D540-P543 WeakPolarHBondContact OD2-CA 3.45Å; D540-N547 PolarHBondContact OD1-OD1 3.32Å; D540-Q550 PolarHBondContact OD1-NE2 2.66Å
541	N	95.1	Very high	93.4	Very high	28 Å²	28	54.1 Å²	54.1	15%	0.15	31%	0.31	C	S	.	.	S	Bend	trans	-75.5	-7.6	175.7	67.1	0	0	0	0	113.5	N547 Q550 G559 C562	N541-N547 PolarHBondContact OD1-ND2 2.83Å; N541-Q550 PolarHBondContact ND2-O 3.01Å; N541-Q550 PolarHBondContact OD1-OE1 3.36Å; N541-Q550 VanDerWaalsContact OD1-OE1 3.11Å; N541-G559 VanDerWaalsContact CG-CA 3.43Å; N541-G559 VanDerWaalsContact ND2-CA 3.31Å; N541-G559 WeakPolarHBondContact ND2-CA 3.38Å; N541-G559 PolarHBondContact O-N 3.4Å; N541-G559 VanDerWaalsContact O-N 3.09Å; N541-C562 PolarHBondContact O-SG 3.1Å
542	C	96.1	Very high	93.3	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.007	32%	0.316	C	S	.	.	S	Bend	trans	-135.2	70	169.1	-72.6	0	0	0	0	113.1	D540 N544 V545 N547 G559 C562	D540-C542 VanDerWaalsContact CG-C 3.49Å; D540-C542 PolarHBondContact O-N 2.67Å; D540-C542 VanDerWaalsContact OD1-C 3.28Å; D540-C542 WeakPolarHBondContact OD1-CA 3.41Å; D540-C542 PolarHBondContact OD1-N 3.05Å; C542-N544 PolarHBondContact O-N 3.43Å; C542-V545 HydrophobicContact CB-CB 4.4Å; C542-V545 PolarHBondContact O-N 3.09Å; C542-N547 WeakPolarHBondContact CB-OD1 3.08Å; C542-G559 VanDerWaalsContact SG-C 3.55Å; C542-G559 WeakPolarHBondContact SG-CA 3.47Å; C542-G559 PolarHBondContact SG-N 3.05Å; C542-G559 PolarHBondContact SG-O 2.76Å; C542-C562 WeakPolarHBondContact CA-SG 3.47Å; C542-C562 HydrophobicContact CB-CB 3.78Å; C542-C562 WeakPolarHBondContact CB-SG 3.19Å; C542-C562 WeakPolarHBondContact SG-CB 3.46Å; C542-C562 PolarHBondContact SG-N 2.85Å; C542-C562 CovalentContact SG-SG 2.05Å; C542-C562 PolarHBondContact SG-SG 3.42Å
543	P	95.9	Very high	93.1	Very high	46 Å²	46	51.9 Å²	51.9	30%	0.299	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-4.8	-168.6	-27.4	34.6	0	0	0	118.9	S530 D540	S530-P543 VanDerWaalsContact CB-O 3.27Å; S530-P543 WeakPolarHBondContact CB-O 3.25Å; D540-P543 WeakPolarHBondContact O-CD 3.44Å; D540-P543 WeakPolarHBondContact O-CG 3.45Å; D540-P543 WeakPolarHBondContact OD2-CA 3.45Å
544	N	95.8	Very high	93.1	Very high	130 Å²	130	53.7 Å²	53.7	70%	0.695	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.8	2.8	-178.3	-56.5	-89.8	0	0	0	112.7	C542	C542-N544 PolarHBondContact O-N 3.43Å
545	V	95.5	Very high	93.1	Very high	61 Å²	61	52.9 Å²	52.9	37%	0.37	31%	0.308	S	S	.	.	S	Bend	trans	-136.6	110.2	-174.8	-177.3	0	0	0	0	108.5	D531 C542 N547 A561 C562	D531-V545 WeakPolarHBondContact OD2-CA 3.31Å; D531-V545 PolarHBondContact OD2-N 3.24Å; C542-V545 HydrophobicContact CB-CB 4.4Å; C542-V545 PolarHBondContact O-N 3.09Å; V545-N547 PolarHBondContact O-N 3.34Å; V545-N547 PolarHBondContact O-OD1 2.88Å; V545-A561 HydrophobicContact CG1-CB 4.09Å; V545-C562 HydrophobicContact CG2-CB 4.37Å
546	P	95.1	Very high	93	Very high	82 Å²	82	53.6 Å²	53.6	53%	0.532	32%	0.315	S	S	.	.			trans	-57.7	124.7	-173.1	-29.8	37.2	0	0	0	113.1	D531 D533	D531-P546 HydrophobicContact CB-CG 3.89Å; D531-P546 WeakPolarHBondContact OD2-CA 3.24Å; D533-P546 HydrophobicContact CB-CB 3.82Å
547	N	93	Very high	92.8	Very high	7 Å²	7	56 Å²	56	4%	0.037	34%	0.341	C	S	.	.			trans	-151.7	78.5	-179.9	65.9	-40.2	0	0	0	111.8	D533 D540 N541 C542 V545 D549 Q550 A561	D533-N547 PolarHBondContact OD2-N 3.29Å; D540-N547 PolarHBondContact OD1-OD1 3.32Å; N541-N547 PolarHBondContact OD1-ND2 2.83Å; C542-N547 WeakPolarHBondContact CB-OD1 3.08Å; V545-N547 PolarHBondContact O-N 3.34Å; V545-N547 PolarHBondContact O-OD1 2.88Å; N547-D549 PolarHBondContact O-N 3.23Å; N547-Q550 PolarHBondContact ND2-NE2 3.43Å; N547-Q550 PolarHBondContact O-N 2.94Å; N547-Q550 PolarHBondContact O-NE2 2.03Å; N547-Q550 PolarHBondContact OD1-NE2 2.71Å; N547-A561 HydrophobicContact CB-CB 3.62Å
548	N	88.1	Confident	92.8	Very high	94 Å²	94	58.2 Å²	58.2	50%	0.503	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-11.9	-179.9	-69.2	-39.4	0	0	0	115.4	S534 F535	S534-N548 VanDerWaalsContact CB-OD1 3.25Å; S534-N548 WeakPolarHBondContact CB-OD1 3.43Å; S534-N548 PolarHBondContact N-OD1 2.9Å; S534-N548 PolarHBondContact OG-OD1 3Å; F535-N548 VanDerWaalsContact CE2-O 3.31Å; F535-N548 WeakPolarHBondContact CE2-O 3.11Å
549	D	85.1	Confident	92.8	Very high	118 Å²	118	55.5 Å²	55.5	63%	0.631	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-15.4	174.6	58.8	-12.6	0	0	0	112.5	N547 K551	N547-D549 PolarHBondContact O-N 3.23Å; D549-K551 PolarHBondContact O-N 2.92Å
550	Q	91	Very high	92.8	Very high	36 Å²	36	55.9 Å²	55.9	17%	0.168	33%	0.327	C	S	.	.			trans	47.2	31.3	-179.6	-67.4	-72.6	-62.1	0	0	112.7	F535 C539 D540 N541 N547 D552	F535-Q550 HydrophobicContact CD1-CG 3.87Å; F535-Q550 HydrophobicContact CD2-CG 3.47Å; F535-Q550 VanDerWaalsContact CD2-CG 3.47Å; F535-Q550 HydrophobicContact CE1-CG 3.83Å; F535-Q550 HydrophobicContact CE2-CG 3.46Å; F535-Q550 VanDerWaalsContact CE2-CG 3.46Å; F535-Q550 HydrophobicContact CG-CG 3.7Å; F535-Q550 HydrophobicContact CZ-CG 3.63Å; C539-Q550 PolarHBondContact O-OE1 2.83Å; D540-Q550 PolarHBondContact OD1-NE2 2.66Å; N541-Q550 PolarHBondContact ND2-O 3.01Å; N541-Q550 PolarHBondContact OD1-OE1 3.36Å; N541-Q550 VanDerWaalsContact OD1-OE1 3.11Å; N547-Q550 PolarHBondContact ND2-NE2 3.43Å; N547-Q550 PolarHBondContact O-N 2.94Å; N547-Q550 PolarHBondContact O-NE2 2.03Å; N547-Q550 PolarHBondContact OD1-NE2 2.71Å; Q550-D552 PolarHBondContact O-N 3.46Å
551	K	90	Very high	92.8	Very high	96 Å²	96	57.8 Å²	57.8	42%	0.417	34%	0.344	S	S	.	.			trans	-69.5	133.8	-174.8	-168.7	175.6	174.6	179.2	0	110.3	D549 G559 D560	D549-K551 PolarHBondContact O-N 2.92Å; K551-G559 CarbonylContact O-C 3.33Å; K551-G559 WeakPolarHBondContact O-CA 3.26Å; K551-D560 VanDerWaalsContact CD-OD2 3.31Å; K551-D560 WeakPolarHBondContact CD-OD2 3.33Å; K551-D560 WeakPolarHBondContact CG-OD2 3.39Å; K551-D560 PolarHBondContact O-N 2.97Å
552	D	91.8	Very high	92.8	Very high	46 Å²	46	58.1 Å²	58.1	25%	0.246	35%	0.348	C	S	.	.			trans	-138.3	99.2	179.2	173.7	0.1	0	0	0	107	Q550 G555 N556 G557	Q550-D552 PolarHBondContact O-N 3.46Å; D552-G555 VanDerWaalsContact OD1-CA 3.26Å; D552-G555 WeakPolarHBondContact OD1-CA 3.44Å; D552-G555 PolarHBondContact OD1-N 2.77Å; D552-G555 WeakPolarHBondContact OD2-CA 3.35Å; D552-N556 PolarHBondContact OD1-N 3.13Å; D552-N556 PolarHBondContact OD2-N 2.8Å; D552-G557 VanDerWaalsContact OD2-CA 3.28Å; D552-G557 WeakPolarHBondContact OD2-CA 3.05Å; D552-G557 PolarHBondContact OD2-N 3.21Å
553	T	90.5	Very high	92.8	Very high	49 Å²	49	59 Å²	59	30%	0.301	35%	0.353	S	S	.	.	S	Bend	trans	-73.5	-35.5	-169.2	-64.7	0	0	0	0	112.9	D560 V566 K580	T553-D560 WeakPolarHBondContact CB-OD1 2.78Å; T553-D560 PolarHBondContact N-OD1 3.12Å; T553-D560 VanDerWaalsContact OG1-CG 3.29Å; T553-D560 PolarHBondContact OG1-OD1 3.3Å; T553-D560 PolarHBondContact OG1-OD2 2.84Å; T553-V566 WeakPolarHBondContact CB-O 3.28Å; T553-K580 WeakPolarHBondContact CG2-O 3.22Å
554	D	90.9	Very high	92.7	Very high	57 Å²	57	62.5 Å²	62.5	31%	0.305	37%	0.37	S	S	.	.	S	Bend	trans	-96.4	-8	179.4	79.8	-13.9	0	0	0	113.6	N556 V566	D554-N556 VanDerWaalsContact C-N 3.3Å; D554-N556 VanDerWaalsContact CG-ND2 3.26Å; D554-N556 PolarHBondContact O-N 2.9Å; D554-N556 WeakPolarHBondContact OD1-CB 3.42Å; D554-N556 PolarHBondContact OD1-N 2.88Å; D554-N556 PolarHBondContact OD1-ND2 2.99Å; D554-N556 WeakPolarHBondContact OD2-CB 3Å; D554-N556 PolarHBondContact OD2-ND2 3.16Å; D554-V566 PolarHBondContact N-O 3.09Å
555	G	90.8	Very high	92.7	Very high	59 Å²	59	58 Å²	58	61%	0.608	35%	0.346	S	S	*	.			trans	70.7	24.7	177.2	0	0	0	0	0	113.1	D552 G557	D552-G555 VanDerWaalsContact OD1-CA 3.26Å; D552-G555 WeakPolarHBondContact OD1-CA 3.44Å; D552-G555 PolarHBondContact OD1-N 2.77Å; D552-G555 WeakPolarHBondContact OD2-CA 3.35Å; G555-G557 VanDerWaalsContact C-N 3.3Å
556	N	92.1	Very high	92.7	Very high	82 Å²	82	55.6 Å²	55.6	44%	0.439	33%	0.331	S	S	.	.	S	Bend	trans	-81.1	-10.4	-178.1	77.2	29	0	0	0	113.1	D552 D554 E558 D563	D552-N556 PolarHBondContact OD1-N 3.13Å; D552-N556 PolarHBondContact OD2-N 2.8Å; D554-N556 VanDerWaalsContact C-N 3.3Å; D554-N556 VanDerWaalsContact CG-ND2 3.26Å; D554-N556 PolarHBondContact O-N 2.9Å; D554-N556 WeakPolarHBondContact OD1-CB 3.42Å; D554-N556 PolarHBondContact OD1-N 2.88Å; D554-N556 PolarHBondContact OD1-ND2 2.99Å; D554-N556 WeakPolarHBondContact OD2-CB 3Å; D554-N556 PolarHBondContact OD2-ND2 3.16Å; N556-E558 WeakPolarHBondContact OD1-CA 3.38Å; N556-E558 VanDerWaalsContact OD1-CB 3.22Å; N556-E558 WeakPolarHBondContact OD1-CB 3.49Å; N556-E558 PolarHBondContact OD1-N 2.98Å; N556-D563 PolarHBondContact ND2-OD2 2.91Å
557	G	92.2	Very high	92.7	Very high	51 Å²	51	52 Å²	52	53%	0.526	31%	0.307	S	S	.	.	S	Bend	trans	93.4	-0	-179	0	0	0	0	0	115.2	D552 G555	D552-G557 VanDerWaalsContact OD2-CA 3.28Å; D552-G557 WeakPolarHBondContact OD2-CA 3.05Å; D552-G557 PolarHBondContact OD2-N 3.21Å; G555-G557 VanDerWaalsContact C-N 3.3Å
558	E	95.3	Very high	92.8	Very high	86 Å²	86	53.8 Å²	53.8	40%	0.402	33%	0.327	S	S	.	.	S	Bend	trans	-103.1	128.5	168.8	-169	167.6	177.6	0	0	108.2	N556 D563	N556-E558 WeakPolarHBondContact OD1-CA 3.38Å; N556-E558 VanDerWaalsContact OD1-CB 3.22Å; N556-E558 WeakPolarHBondContact OD1-CB 3.49Å; N556-E558 PolarHBondContact OD1-N 2.98Å; E558-D563 HydrophobicContact CG-CB 4.11Å
559	G	94.7	Very high	93.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	31%	0.308	C	S	.	.			trans	-74.7	154.9	-175.5	0	0	0	0	0	113.6	N541 C542 K551 A561 C562 D563	N541-G559 VanDerWaalsContact CG-CA 3.43Å; N541-G559 VanDerWaalsContact ND2-CA 3.31Å; N541-G559 WeakPolarHBondContact ND2-CA 3.38Å; N541-G559 PolarHBondContact O-N 3.4Å; N541-G559 VanDerWaalsContact O-N 3.09Å; C542-G559 VanDerWaalsContact SG-C 3.55Å; C542-G559 WeakPolarHBondContact SG-CA 3.47Å; C542-G559 PolarHBondContact SG-N 3.05Å; C542-G559 PolarHBondContact SG-O 2.76Å; K551-G559 CarbonylContact O-C 3.33Å; K551-G559 WeakPolarHBondContact O-CA 3.26Å; G559-A561 PolarHBondContact O-N 3.33Å; G559-C562 PolarHBondContact O-N 3.28Å; G559-D563 WeakPolarHBondContact O-CB 3.39Å; G559-D563 PolarHBondContact O-N 3.09Å
560	D	94.7	Very high	93.6	Very high	34 Å²	34	47.4 Å²	47.4	18%	0.182	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-30.8	177.8	-73.6	5.4	0	0	0	112.6	K551 T553 C562 V566	K551-D560 VanDerWaalsContact CD-OD2 3.31Å; K551-D560 WeakPolarHBondContact CD-OD2 3.33Å; K551-D560 WeakPolarHBondContact CG-OD2 3.39Å; K551-D560 PolarHBondContact O-N 2.97Å; T553-D560 WeakPolarHBondContact CB-OD1 2.78Å; T553-D560 PolarHBondContact N-OD1 3.12Å; T553-D560 VanDerWaalsContact OG1-CG 3.29Å; T553-D560 PolarHBondContact OG1-OD1 3.3Å; T553-D560 PolarHBondContact OG1-OD2 2.84Å; D560-C562 VanDerWaalsContact C-N 3.33Å; D560-C562 PolarHBondContact O-N 2.73Å; D560-V566 HydrophobicContact CB-CG1 4.32Å
561	A	95.1	Very high	93.9	Very high	50 Å²	50	47.4 Å²	47.4	41%	0.413	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-24.2	-176.3	0	0	0	0	0	114	V545 N547 G559	V545-A561 HydrophobicContact CG1-CB 4.09Å; N547-A561 HydrophobicContact CB-CB 3.62Å; G559-A561 PolarHBondContact O-N 3.33Å
562	C	94.7	Very high	94.2	Very high	35 Å²	35	46 Å²	46	24%	0.236	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-15.1	-177.3	59.4	0	0	0	0	113.7	N541 C542 V545 G559 D560	N541-C562 PolarHBondContact O-SG 3.1Å; C542-C562 WeakPolarHBondContact CA-SG 3.47Å; C542-C562 HydrophobicContact CB-CB 3.78Å; C542-C562 WeakPolarHBondContact CB-SG 3.19Å; C542-C562 WeakPolarHBondContact SG-CB 3.46Å; C542-C562 PolarHBondContact SG-N 2.85Å; C542-C562 CovalentContact SG-SG 2.05Å; C542-C562 PolarHBondContact SG-SG 3.42Å; V545-C562 HydrophobicContact CG2-CB 4.37Å; G559-C562 PolarHBondContact O-N 3.28Å; D560-C562 VanDerWaalsContact C-N 3.33Å; D560-C562 PolarHBondContact O-N 2.73Å
563	D	95.9	Very high	94.3	Very high	20 Å²	20	46 Å²	46	11%	0.107	31%	0.308	C	S	.	.			trans	-70.9	141	174	-161.2	-22	0	0	0	111.6	N556 E558 G559 D565 V566 N573	N556-D563 PolarHBondContact ND2-OD2 2.91Å; E558-D563 HydrophobicContact CG-CB 4.11Å; G559-D563 WeakPolarHBondContact O-CB 3.39Å; G559-D563 PolarHBondContact O-N 3.09Å; D563-D565 PolarHBondContact OD1-N 2.66Å; D563-V566 HydrophobicContact CB-CG1 4.12Å; D563-N573 PolarHBondContact O-ND2 3.34Å
564	N	95.3	Very high	94.5	Very high	120 Å²	120	47.4 Å²	47.4	64%	0.642	33%	0.332	S	S	*	.	S	Bend	trans	-95.6	-5.5	177.9	-61.2	-85.2	0	0	0	113.4	P572 N573	N564-P572 CarbonylContact O-C 3.51Å; N564-P572 VanDerWaalsContact O-CA 3.26Å; N564-P572 WeakPolarHBondContact O-CA 3.33Å; N564-N573 VanDerWaalsContact C-CG 3.42Å; N564-N573 VanDerWaalsContact C-ND2 3.26Å; N564-N573 VanDerWaalsContact O-CG 3.23Å; N564-N573 PolarHBondContact O-N 2.66Å; N564-N573 PolarHBondContact O-ND2 2.98Å; N564-N573 PolarHBondContact O-OD1 2.83Å
565	D	96.1	Very high	94.8	Very high	36 Å²	36	51.2 Å²	51.2	19%	0.193	35%	0.352	C	S	.	.	S	Bend	trans	-148.7	70.5	-177.4	-179.1	10.1	0	0	0	107.9	D563 D567 G568 D569 G570 N573	D563-D565 PolarHBondContact OD1-N 2.66Å; D565-D567 PolarHBondContact O-N 3.28Å; D565-D567 VanDerWaalsContact O-N 3.15Å; D565-G568 PolarHBondContact O-N 2.76Å; D565-G568 VanDerWaalsContact O-N 3.08Å; D565-G568 PolarHBondContact OD1-N 3.13Å; D565-D569 PolarHBondContact OD1-N 3.41Å; D565-G570 WeakPolarHBondContact OD2-CA 3.46Å; D565-G570 PolarHBondContact OD2-N 3.05Å; D565-G570 VanDerWaalsContact OD2-N 3.15Å; D565-N573 VanDerWaalsContact CA-OD1 3.29Å; D565-N573 WeakPolarHBondContact CA-OD1 3.04Å; D565-N573 PolarHBondContact N-OD1 2.83Å
566	V	95.2	Very high	95.1	Very high	10 Å²	10	49 Å²	49	6%	0.061	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-16.6	-161.6	-49.2	0	0	0	0	114	T553 D554 D560 D563 N573 P579 K580	T553-V566 WeakPolarHBondContact CB-O 3.28Å; D554-V566 PolarHBondContact N-O 3.09Å; D560-V566 HydrophobicContact CB-CG1 4.32Å; D563-V566 HydrophobicContact CB-CG1 4.12Å; V566-N573 WeakPolarHBondContact CG1-ND2 3.47Å; V566-N573 PolarHBondContact N-OD1 2.84Å; V566-P579 WeakPolarHBondContact CG2-O 3.25Å; V566-K580 HydrophobicContact CG2-CG 4.36Å
567	D	94.3	Very high	95.3	Very high	7 Å²	7	46.4 Å²	46.4	4%	0.037	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-1.7	176.5	73.5	-1.8	0	0	0	113.3	D565 D569 V581 P582	D565-D567 PolarHBondContact O-N 3.28Å; D565-D567 VanDerWaalsContact O-N 3.15Å; D567-D569 PolarHBondContact O-N 3.06Å; D567-D569 WeakPolarHBondContact OD1-CB 3.43Å; D567-D569 PolarHBondContact OD1-N 3.19Å; D567-V581 PolarHBondContact OD2-N 3.06Å; D567-V581 VanDerWaalsContact OD2-N 3.11Å; D567-V581 VanDerWaalsContact OD2-O 3.09Å; D567-P582 HydrophobicContact CB-CG 4.04Å; D567-P582 WeakPolarHBondContact O-CG 3.39Å; D567-P582 VanDerWaalsContact OD2-CA 3.28Å; D567-P582 WeakPolarHBondContact OD2-CA 3.45Å; D567-P582 VanDerWaalsContact OD2-N 3.14Å
568	G	95.4	Very high	95.5	Very high	44 Å²	44	44 Å²	44	45%	0.454	29%	0.288	S	S	.	.			trans	66.6	21.2	172.5	0	0	0	0	0	114.5	D565 G570	D565-G568 PolarHBondContact O-N 2.76Å; D565-G568 VanDerWaalsContact O-N 3.08Å; D565-G568 PolarHBondContact OD1-N 3.13Å; G568-G570 VanDerWaalsContact C-N 3.25Å; G568-G570 PolarHBondContact O-N 2.79Å
569	D	95.8	Very high	95.5	Very high	20 Å²	20	42.4 Å²	42.4	11%	0.107	29%	0.285	C	S	.	.	S	Bend	trans	-79.7	-10.8	-177.4	100.9	-20.6	0	0	0	113	D565 D567 I571 P582 N583 P584	D565-D569 PolarHBondContact OD1-N 3.41Å; D567-D569 PolarHBondContact O-N 3.06Å; D567-D569 WeakPolarHBondContact OD1-CB 3.43Å; D567-D569 PolarHBondContact OD1-N 3.19Å; D569-I571 WeakPolarHBondContact OD1-CA 3.38Å; D569-I571 WeakPolarHBondContact OD1-CB 3.43Å; D569-I571 VanDerWaalsContact OD1-CG1 3.32Å; D569-I571 WeakPolarHBondContact OD1-CG1 3.21Å; D569-I571 PolarHBondContact OD1-N 3.03Å; D569-P582 HydrophobicContact CB-CB 3.86Å; D569-N583 WeakPolarHBondContact OD2-CA 3.48Å; D569-N583 PolarHBondContact OD2-N 3.4Å; D569-N583 PolarHBondContact OD2-OD1 2.92Å; D569-P584 HydrophobicContact CB-CG 4.03Å; D569-P584 WeakPolarHBondContact OD2-CA 3.45Å
570	G	95.2	Very high	95.3	Very high	58 Å²	58	48.6 Å²	48.6	60%	0.598	31%	0.312	S	S	*	.	S	Bend	trans	97.7	6.2	179.1	0	0	0	0	0	114.3	D565 G568	D565-G570 WeakPolarHBondContact OD2-CA 3.46Å; D565-G570 PolarHBondContact OD2-N 3.05Å; D565-G570 VanDerWaalsContact OD2-N 3.15Å; G568-G570 VanDerWaalsContact C-N 3.25Å; G568-G570 PolarHBondContact O-N 2.79Å
571	I	96.7	Very high	95.3	Very high	35 Å²	35	49.7 Å²	49.7	18%	0.179	32%	0.319	C	S	.	.	S	Bend	trans	-114.4	118.5	-179.3	-55.9	-172.4	0	0	0	109.3	D569 N573 L575 D576 Q586	D569-I571 WeakPolarHBondContact OD1-CA 3.38Å; D569-I571 WeakPolarHBondContact OD1-CB 3.43Å; D569-I571 VanDerWaalsContact OD1-CG1 3.32Å; D569-I571 WeakPolarHBondContact OD1-CG1 3.21Å; D569-I571 PolarHBondContact OD1-N 3.03Å; I571-N573 PolarHBondContact O-N 2.76Å; I571-L575 HydrophobicContact CG2-CB 4.2Å; I571-D576 HydrophobicContact CB-CB 4.42Å; I571-D576 HydrophobicContact CG2-CB 3.92Å; I571-Q586 HydrophobicContact CD1-CG 3.15Å
572	P	96.6	Very high	95.3	Very high	66 Å²	66	51.2 Å²	51.2	43%	0.429	33%	0.325	S	S	.	.			trans	-61	141	-177.5	-23.2	32.5	0	0	0	112.7	N564 G574 L575 D576	N564-P572 CarbonylContact O-C 3.51Å; N564-P572 VanDerWaalsContact O-CA 3.26Å; N564-P572 WeakPolarHBondContact O-CA 3.33Å; P572-G574 PolarHBondContact O-N 2.98Å; P572-L575 PolarHBondContact O-N 2.89Å; P572-D576 PolarHBondContact O-N 2.82Å
573	N	94.1	Very high	95.4	Very high	46 Å²	46	50.2 Å²	50.2	25%	0.246	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-42.6	-36.7	-175.2	-61.1	-21	0	0	0	115.5	D563 N564 D565 V566 I571 L575	D563-N573 PolarHBondContact O-ND2 3.34Å; N564-N573 VanDerWaalsContact C-CG 3.42Å; N564-N573 VanDerWaalsContact C-ND2 3.26Å; N564-N573 VanDerWaalsContact O-CG 3.23Å; N564-N573 PolarHBondContact O-N 2.66Å; N564-N573 PolarHBondContact O-ND2 2.98Å; N564-N573 PolarHBondContact O-OD1 2.83Å; D565-N573 VanDerWaalsContact CA-OD1 3.29Å; D565-N573 WeakPolarHBondContact CA-OD1 3.04Å; D565-N573 PolarHBondContact N-OD1 2.83Å; V566-N573 WeakPolarHBondContact CG1-ND2 3.47Å; V566-N573 PolarHBondContact N-OD1 2.84Å; I571-N573 PolarHBondContact O-N 2.76Å; N573-L575 VanDerWaalsContact C-N 3.34Å
574	G	94.6	Very high	95.4	Very high	79 Å²	79	53.5 Å²	53.5	81%	0.814	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-9.3	-178.2	0	0	0	0	0	115.3	P572	P572-G574 PolarHBondContact O-N 2.98Å
575	L	95.9	Very high	95.4	Very high	137 Å²	137	55 Å²	55	72%	0.717	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.2	-9.8	176.1	-64.6	178.8	0	0	0	112.4	I571 P572 N573 Q586	I571-L575 HydrophobicContact CG2-CB 4.2Å; P572-L575 PolarHBondContact O-N 2.89Å; N573-L575 VanDerWaalsContact C-N 3.34Å; L575-Q586 PolarHBondContact O-OE1 2.84Å
576	D	97.1	Very high	95.4	Very high	14 Å²	14	55.5 Å²	55.5	8%	0.075	35%	0.348	C	S	.	.			trans	-84.9	129.9	-177.2	-169.1	-10.2	0	0	0	111	I571 P572 C578 P579 N583 Q586	I571-D576 HydrophobicContact CB-CB 4.42Å; I571-D576 HydrophobicContact CG2-CB 3.92Å; P572-D576 PolarHBondContact O-N 2.82Å; D576-C578 VanDerWaalsContact OD1-C 3.29Å; D576-C578 WeakPolarHBondContact OD1-CA 3.03Å; D576-C578 PolarHBondContact OD1-N 2.92Å; D576-P579 HydrophobicContact CB-CG 4.34Å; D576-P579 VanDerWaalsContact OD2-CA 3.31Å; D576-P579 WeakPolarHBondContact OD2-CA 3.41Å; D576-N583 PolarHBondContact OD1-OD1 2.03Å; D576-Q586 PolarHBondContact OD1-NE2 3.33Å; D576-Q586 PolarHBondContact OD1-OE1 3.18Å
577	N	96.1	Very high	95.5	Very high	27 Å²	27	58.5 Å²	58.5	14%	0.144	37%	0.367	C	S	.	.	S	Bend	trans	-85.3	-7.7	173.5	70.7	-5.2	0	0	0	113.8	N583 Q586 G595	N577-N583 PolarHBondContact OD1-ND2 3.36Å; N577-Q586 PolarHBondContact ND2-O 3.09Å; N577-Q586 PolarHBondContact OD1-NE2 2.97Å; N577-Q586 PolarHBondContact OD1-OE1 3.14Å; N577-G595 VanDerWaalsContact CG-CA 3.44Å; N577-G595 VanDerWaalsContact ND2-CA 3.27Å; N577-G595 WeakPolarHBondContact ND2-CA 3.5Å; N577-G595 PolarHBondContact O-N 3.2Å
578	C	96.1	Very high	95.6	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.007	38%	0.377	C	S	.	.	S	Bend	trans	-135.7	69.1	167.7	-72.9	0	0	0	0	112.4	D576 K580 V581 N583 G595 C598	D576-C578 VanDerWaalsContact OD1-C 3.29Å; D576-C578 WeakPolarHBondContact OD1-CA 3.03Å; D576-C578 PolarHBondContact OD1-N 2.92Å; C578-K580 PolarHBondContact O-N 2.86Å; C578-V581 HydrophobicContact CB-CB 4.36Å; C578-V581 PolarHBondContact O-N 2.8Å; C578-N583 WeakPolarHBondContact CB-ND2 3.47Å; C578-N583 WeakPolarHBondContact CB-OD1 3.29Å; C578-G595 VanDerWaalsContact SG-C 3.51Å; C578-G595 WeakPolarHBondContact SG-CA 3.03Å; C578-G595 PolarHBondContact SG-N 2.81Å; C578-G595 PolarHBondContact SG-O 3.43Å; C578-C598 WeakPolarHBondContact CA-SG 3.3Å; C578-C598 HydrophobicContact CB-CB 3.69Å; C578-C598 WeakPolarHBondContact CB-SG 3.18Å; C578-C598 WeakPolarHBondContact SG-CB 3.19Å; C578-C598 PolarHBondContact SG-N 3.44Å; C578-C598 CovalentContact SG-SG 2.04Å; C578-C598 PolarHBondContact SG-SG 2.93Å
579	P	95.5	Very high	95.7	Very high	52 Å²	52	64.3 Å²	64.3	34%	0.338	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-10.4	-171.5	-26.4	34.6	0	0	0	117.2	V566 D576	V566-P579 WeakPolarHBondContact CG2-O 3.25Å; D576-P579 HydrophobicContact CB-CG 4.34Å; D576-P579 VanDerWaalsContact OD2-CA 3.31Å; D576-P579 WeakPolarHBondContact OD2-CA 3.41Å
580	K	92.1	Very high	95.7	Very high	130 Å²	130	64.9 Å²	64.9	57%	0.565	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	0.4	-176.3	-63.5	-178.3	178.1	176.9	0	113	T553 V566 C578	T553-K580 WeakPolarHBondContact CG2-O 3.22Å; V566-K580 HydrophobicContact CG2-CG 4.36Å; C578-K580 PolarHBondContact O-N 2.86Å
581	V	93.7	Very high	95.7	Very high	57 Å²	57	70.3 Å²	70.3	35%	0.345	39%	0.39	S	S	.	.	S	Bend	trans	-136.5	111.7	-172.4	-179	0	0	0	0	108.2	D567 C578 N583 A597 C598	D567-V581 PolarHBondContact OD2-N 3.06Å; D567-V581 VanDerWaalsContact OD2-N 3.11Å; D567-V581 VanDerWaalsContact OD2-O 3.09Å; C578-V581 HydrophobicContact CB-CB 4.36Å; C578-V581 PolarHBondContact O-N 2.8Å; V581-N583 PolarHBondContact O-N 3.25Å; V581-N583 PolarHBondContact O-OD1 2.93Å; V581-A597 HydrophobicContact CG1-CB 4.06Å; V581-C598 HydrophobicContact CB-CB 4.03Å; V581-C598 HydrophobicContact CG2-CB 3.83Å
582	P	95.8	Very high	95.7	Very high	82 Å²	82	69.5 Å²	69.5	53%	0.532	39%	0.386	S	S	.	.			trans	-58.4	114.5	-169.6	-22.7	29.5	0	0	0	112.1	D567 D569	D567-P582 HydrophobicContact CB-CG 4.04Å; D567-P582 WeakPolarHBondContact O-CG 3.39Å; D567-P582 VanDerWaalsContact OD2-CA 3.28Å; D567-P582 WeakPolarHBondContact OD2-CA 3.45Å; D567-P582 VanDerWaalsContact OD2-N 3.14Å; D569-P582 HydrophobicContact CB-CB 3.86Å
583	N	95.8	Very high	95.6	Very high	14 Å²	14	68.6 Å²	68.6	8%	0.075	39%	0.39	C	S	.	.			trans	-141.2	71.5	-179.5	71.9	-32.2	0	0	0	111.9	D569 D576 N577 C578 V581 L585 Q586 A597	D569-N583 WeakPolarHBondContact OD2-CA 3.48Å; D569-N583 PolarHBondContact OD2-N 3.4Å; D569-N583 PolarHBondContact OD2-OD1 2.92Å; D576-N583 PolarHBondContact OD1-OD1 2.03Å; N577-N583 PolarHBondContact OD1-ND2 3.36Å; C578-N583 WeakPolarHBondContact CB-ND2 3.47Å; C578-N583 WeakPolarHBondContact CB-OD1 3.29Å; V581-N583 PolarHBondContact O-N 3.25Å; V581-N583 PolarHBondContact O-OD1 2.93Å; N583-L585 PolarHBondContact O-N 3.01Å; N583-Q586 VanDerWaalsContact CG-NE2 3.35Å; N583-Q586 PolarHBondContact ND2-NE2 3.47Å; N583-Q586 PolarHBondContact O-N 3.34Å; N583-Q586 PolarHBondContact O-NE2 3.32Å; N583-Q586 PolarHBondContact OD1-NE2 3Å; N583-A597 HydrophobicContact CB-CB 3.56Å
584	P	95.8	Very high	95.7	Very high	88 Å²	88	67.4 Å²	67.4	57%	0.571	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-13.8	-172.5	-26.1	33.6	0	0	0	115.6	D569	D569-P584 HydrophobicContact CB-CG 4.03Å; D569-P584 WeakPolarHBondContact OD2-CA 3.45Å
585	L	96.1	Very high	95.7	Very high	152 Å²	152	63.7 Å²	63.7	80%	0.796	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-17.1	177.4	-62.7	-179.6	0	0	0	113.7	N583 T587	N583-L585 PolarHBondContact O-N 3.01Å; L585-T587 PolarHBondContact O-N 3.08Å
586	Q	96.5	Very high	95.7	Very high	47 Å²	47	59.3 Å²	59.3	22%	0.22	32%	0.322	C	S	.	.			trans	48.1	40.5	-178.9	-61.6	-79.7	-71.2	0	0	112.5	I571 L575 D576 N577 N583 D588	I571-Q586 HydrophobicContact CD1-CG 3.15Å; L575-Q586 PolarHBondContact O-OE1 2.84Å; D576-Q586 PolarHBondContact OD1-NE2 3.33Å; D576-Q586 PolarHBondContact OD1-OE1 3.18Å; N577-Q586 PolarHBondContact ND2-O 3.09Å; N577-Q586 PolarHBondContact OD1-NE2 2.97Å; N577-Q586 PolarHBondContact OD1-OE1 3.14Å; N583-Q586 VanDerWaalsContact CG-NE2 3.35Å; N583-Q586 PolarHBondContact ND2-NE2 3.47Å; N583-Q586 PolarHBondContact O-N 3.34Å; N583-Q586 PolarHBondContact O-NE2 3.32Å; N583-Q586 PolarHBondContact OD1-NE2 3Å; Q586-D588 PolarHBondContact O-N 2.95Å
587	T	97.1	Very high	95.6	Very high	73 Å²	73	61.2 Å²	61.2	45%	0.448	34%	0.34	S	S	.	.			trans	-67	131.8	176.5	-45.3	0	0	0	0	108.5	L585 G595 D596	L585-T587 PolarHBondContact O-N 3.08Å; T587-G595 CarbonylContact O-C 3.59Å; T587-G595 VanDerWaalsContact O-CA 3.28Å; T587-G595 WeakPolarHBondContact O-CA 3.37Å; T587-D596 WeakPolarHBondContact CG2-OD2 3.46Å; T587-D596 PolarHBondContact O-N 3.04Å
588	D	96.3	Very high	95.5	Very high	46 Å²	46	62 Å²	62	25%	0.246	35%	0.347	C	S	.	.			trans	-142.6	98.8	176.2	169	-0.8	0	0	0	105.5	Q586 E591 D592 G593 D596	Q586-D588 PolarHBondContact O-N 2.95Å; D588-E591 WeakPolarHBondContact OD1-CA 3.32Å; D588-E591 PolarHBondContact OD1-N 3.15Å; D588-D592 PolarHBondContact OD1-N 2.77Å; D588-G593 PolarHBondContact OD2-N 2.83Å; D588-D596 WeakPolarHBondContact CA-OD1 3.36Å
589	R	96.3	Very high	95.5	Very high	127 Å²	127	62.5 Å²	62.5	48%	0.479	35%	0.35	S	S	.	.	S	Bend	trans	-81.2	-33.3	-169.4	178.1	174.5	53.7	-170.7	-12.5	113	D596 P602 E603	R589-D596 PolarHBondContact N-OD1 2.94Å; R589-P602 VanDerWaalsContact CZ-O 3.28Å; R589-P602 PolarHBondContact NE-O 3.01Å; R589-P602 VanDerWaalsContact NH2-C 3.34Å; R589-P602 PolarHBondContact NH2-O 2.94Å; R589-E603 IonicContact CZ-OE1 3.39Å; R589-E603 IonicContact CZ-OE2 3.61Å; R589-E603 IonicContact NE-OE1 3.67Å; R589-E603 IonicContact NE-OE2 2.78Å; R589-E603 PolarHBondContact NE-OE2 3.11Å; R589-E603 IonicContact NH1-OE1 2.99Å; R589-E603 PolarHBondContact NH1-OE1 3.36Å; R589-E603 IonicContact NH1-OE2 3.39Å; R589-E603 PolarHBondContact NH1-OE2 2.72Å; R589-E603 VanDerWaalsContact NH2-CG 3.29Å; R589-E603 IonicContact NH2-OE1 3.57Å; R589-E603 PolarHBondContact NH2-OE1 3Å; R589-E603 IonicContact NH2-OE2 3.15Å; R589-E603 PolarHBondContact NH2-OE2 3.35Å
590	D	95.6	Very high	95.4	Very high	31 Å²	31	61 Å²	61	17%	0.166	34%	0.34	C	S	.	.	S	Bend	trans	-98.6	-1.5	-176.5	72.8	6.1	0	0	0	113.8	D592 M604 S605	D590-D592 VanDerWaalsContact C-N 3.31Å; D590-D592 PolarHBondContact O-N 2.79Å; D590-D592 WeakPolarHBondContact OD1-CB 3.28Å; D590-D592 PolarHBondContact OD1-N 2.95Å; D590-M604 WeakPolarHBondContact OD2-CA 3.46Å; D590-M604 PolarHBondContact OD2-N 2.75Å; D590-S605 VanDerWaalsContact OD2-CA 3.23Å; D590-S605 WeakPolarHBondContact OD2-CA 3.02Å; D590-S605 PolarHBondContact OD2-N 2.88Å
591	E	96.3	Very high	95.5	Very high	172 Å²	172	54.9 Å²	54.9	80%	0.804	31%	0.314	S	S	*	.			trans	61.1	34.2	174.9	-56.8	-177.2	179.8	0	0	113.2	D588	D588-E591 WeakPolarHBondContact OD1-CA 3.32Å; D588-E591 PolarHBondContact OD1-N 3.15Å
592	D	95.6	Very high	95.5	Very high	18 Å²	18	53.6 Å²	53.6	10%	0.096	31%	0.307	C	S	.	.	S	Bend	trans	-87.1	-12.8	180	95.5	-17.8	0	0	0	114	D588 D590 V594 S605 N606 P607	D588-D592 PolarHBondContact OD1-N 2.77Å; D590-D592 VanDerWaalsContact C-N 3.31Å; D590-D592 PolarHBondContact O-N 2.79Å; D590-D592 WeakPolarHBondContact OD1-CB 3.28Å; D590-D592 PolarHBondContact OD1-N 2.95Å; D592-V594 WeakPolarHBondContact OD1-CA 3.4Å; D592-V594 VanDerWaalsContact OD1-CB 3.27Å; D592-V594 WeakPolarHBondContact OD1-CB 3.13Å; D592-V594 PolarHBondContact OD1-N 2.75Å; D592-S605 WeakPolarHBondContact CB-OG 3.11Å; D592-N606 WeakPolarHBondContact OD2-CA 3.35Å; D592-N606 PolarHBondContact OD2-N 2.78Å; D592-N606 PolarHBondContact OD2-OD1 2.86Å; D592-P607 HydrophobicContact CB-CG 3.94Å; D592-P607 WeakPolarHBondContact O-CG 3.29Å; D592-P607 WeakPolarHBondContact OD2-CA 3.47Å
593	G	94.3	Very high	95.4	Very high	48 Å²	48	55.9 Å²	55.9	50%	0.495	31%	0.311	S	S	.	.	S	Bend	trans	97.6	0.6	179.9	0	0	0	0	0	114.9	D588	D588-G593 PolarHBondContact OD2-N 2.83Å
594	V	96.4	Very high	95.2	Very high	21 Å²	21	59.2 Å²	59.2	13%	0.127	33%	0.327	C	S	.	.	S	Bend	trans	-106.6	134.3	170.9	-172.7	0	0	0	0	107.9	D592 C598 D599 Q609	D592-V594 WeakPolarHBondContact OD1-CA 3.4Å; D592-V594 VanDerWaalsContact OD1-CB 3.27Å; D592-V594 WeakPolarHBondContact OD1-CB 3.13Å; D592-V594 PolarHBondContact OD1-N 2.75Å; V594-C598 VanDerWaalsContact CG1-SG 3.55Å; V594-D599 HydrophobicContact CB-CB 4.4Å; V594-D599 HydrophobicContact CG1-CB 3.94Å; V594-Q609 HydrophobicContact CB-CG 4.45Å; V594-Q609 HydrophobicContact CG1-CG 4.07Å; V594-Q609 HydrophobicContact CG2-CG 3.84Å
595	G	96.3	Very high	95.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.323	C	S	.	.			trans	-77.1	150.6	-178.7	0	0	0	0	0	113.1	N577 C578 T587 A597 C598 D599	N577-G595 VanDerWaalsContact CG-CA 3.44Å; N577-G595 VanDerWaalsContact ND2-CA 3.27Å; N577-G595 WeakPolarHBondContact ND2-CA 3.5Å; N577-G595 PolarHBondContact O-N 3.2Å; C578-G595 VanDerWaalsContact SG-C 3.51Å; C578-G595 WeakPolarHBondContact SG-CA 3.03Å; C578-G595 PolarHBondContact SG-N 2.81Å; C578-G595 PolarHBondContact SG-O 3.43Å; T587-G595 CarbonylContact O-C 3.59Å; T587-G595 VanDerWaalsContact O-CA 3.28Å; T587-G595 WeakPolarHBondContact O-CA 3.37Å; G595-A597 PolarHBondContact O-N 3.28Å; G595-C598 PolarHBondContact O-N 3.22Å; G595-D599 VanDerWaalsContact O-CB 3.25Å; G595-D599 WeakPolarHBondContact O-CB 3.34Å; G595-D599 PolarHBondContact O-N 3.4Å
596	D	95.4	Very high	95.1	Very high	45 Å²	45	51.3 Å²	51.3	24%	0.241	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-27.7	-177.3	-65.2	-0.8	0	0	0	113.5	T587 D588 R589	T587-D596 WeakPolarHBondContact CG2-OD2 3.46Å; T587-D596 PolarHBondContact O-N 3.04Å; D588-D596 WeakPolarHBondContact CA-OD1 3.36Å; R589-D596 PolarHBondContact N-OD1 2.94Å
597	A	94.6	Very high	95	Very high	54 Å²	54	53 Å²	53	45%	0.446	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-26.8	-177.8	0	0	0	0	0	113.8	V581 N583 G595	V581-A597 HydrophobicContact CG1-CB 4.06Å; N583-A597 HydrophobicContact CB-CB 3.56Å; G595-A597 PolarHBondContact O-N 3.28Å
598	C	94	Very high	94.8	Very high	44 Å²	44	54.7 Å²	54.7	30%	0.297	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	4.8	-179.2	66.9	0	0	0	0	112.6	C578 V581 V594 G595	C578-C598 WeakPolarHBondContact CA-SG 3.3Å; C578-C598 HydrophobicContact CB-CB 3.69Å; C578-C598 WeakPolarHBondContact CB-SG 3.18Å; C578-C598 WeakPolarHBondContact SG-CB 3.19Å; C578-C598 PolarHBondContact SG-N 3.44Å; C578-C598 CovalentContact SG-SG 2.04Å; C578-C598 PolarHBondContact SG-SG 2.93Å; V581-C598 HydrophobicContact CB-CB 4.03Å; V581-C598 HydrophobicContact CG2-CB 3.83Å; V594-C598 VanDerWaalsContact CG1-SG 3.55Å; G595-C598 PolarHBondContact O-N 3.22Å
599	D	95.3	Very high	94.7	Very high	12 Å²	12	55 Å²	55	6%	0.064	31%	0.311	C	S	.	.			trans	-82.9	122.4	176.9	-174.7	1	0	0	0	110.5	V594 G595 C601 P602 N606 Q609	V594-D599 HydrophobicContact CB-CB 4.4Å; V594-D599 HydrophobicContact CG1-CB 3.94Å; G595-D599 VanDerWaalsContact O-CB 3.25Å; G595-D599 WeakPolarHBondContact O-CB 3.34Å; G595-D599 PolarHBondContact O-N 3.4Å; D599-C601 VanDerWaalsContact CG-C 3.5Å; D599-C601 PolarHBondContact O-N 2.71Å; D599-C601 PolarHBondContact OD1-N 3.29Å; D599-P602 HydrophobicContact CB-CG 4.23Å; D599-P602 VanDerWaalsContact O-CD 3.29Å; D599-P602 WeakPolarHBondContact O-CD 3.27Å; D599-P602 VanDerWaalsContact O-CG 3.24Å; D599-P602 WeakPolarHBondContact O-CG 3.29Å; D599-P602 VanDerWaalsContact OD2-CA 3.24Å; D599-P602 WeakPolarHBondContact OD2-CA 3.47Å; D599-N606 PolarHBondContact OD1-OD1 3.35Å; D599-N606 VanDerWaalsContact OD1-OD1 3.05Å; D599-Q609 PolarHBondContact OD1-NE2 2.92Å; D599-Q609 PolarHBondContact OD1-OE1 3.12Å
600	S	93.7	Very high	94.6	Very high	19 Å²	19	52 Å²	52	13%	0.133	31%	0.307	C	S	.	.	S	Bend	trans	-67.3	-21.8	174.4	60.8	0	0	0	0	113.1	N606 Q609 G618 C621 K636	S600-N606 PolarHBondContact OG-ND2 3.45Å; S600-Q609 PolarHBondContact OG-OE1 2.04Å; S600-G618 WeakPolarHBondContact OG-CA 2.98Å; S600-C621 PolarHBondContact O-SG 2.86Å; S600-C621 VanDerWaalsContact O-SG 3.34Å; S600-K636 PolarHBondContact O-NZ 3.43Å; S600-K636 VanDerWaalsContact O-NZ 3.09Å
601	C	94.1	Very high	94.4	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.014	31%	0.31	C	S	.	.	S	Bend	trans	-134.1	67.3	176.5	-60.6	0	0	0	0	113.5	D599 E603 M604 N606 G618 C621	D599-C601 VanDerWaalsContact CG-C 3.5Å; D599-C601 PolarHBondContact O-N 2.71Å; D599-C601 PolarHBondContact OD1-N 3.29Å; C601-E603 PolarHBondContact O-N 3.03Å; C601-M604 PolarHBondContact O-N 3.5Å; C601-N606 WeakPolarHBondContact CB-ND2 3.44Å; C601-G618 VanDerWaalsContact SG-CA 3.54Å; C601-G618 PolarHBondContact SG-O 2.04Å; C601-C621 WeakPolarHBondContact CA-SG 3.29Å; C601-C621 HydrophobicContact CB-CB 3.71Å; C601-C621 WeakPolarHBondContact CB-SG 3.39Å; C601-C621 WeakPolarHBondContact SG-CB 2.95Å; C601-C621 PolarHBondContact SG-N 3Å; C601-C621 CovalentContact SG-SG 2.03Å; C601-C621 PolarHBondContact SG-SG 2.71Å
602	P	94.3	Very high	94.2	Very high	31 Å²	31	49.3 Å²	49.3	20%	0.201	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-2	-172.4	-25.6	36.1	0	0	0	117.8	R589 D599	R589-P602 VanDerWaalsContact CZ-O 3.28Å; R589-P602 PolarHBondContact NE-O 3.01Å; R589-P602 VanDerWaalsContact NH2-C 3.34Å; R589-P602 PolarHBondContact NH2-O 2.94Å; D599-P602 HydrophobicContact CB-CG 4.23Å; D599-P602 VanDerWaalsContact O-CD 3.29Å; D599-P602 WeakPolarHBondContact O-CD 3.27Å; D599-P602 VanDerWaalsContact O-CG 3.24Å; D599-P602 WeakPolarHBondContact O-CG 3.29Å; D599-P602 VanDerWaalsContact OD2-CA 3.24Å; D599-P602 WeakPolarHBondContact OD2-CA 3.47Å
603	E	92.8	Very high	93.9	Very high	129 Å²	129	49.5 Å²	49.5	60%	0.603	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	-11.8	-179.7	-62.8	-76	-176.3	0	0	112.3	R589 C601	R589-E603 IonicContact CZ-OE1 3.39Å; R589-E603 IonicContact CZ-OE2 3.61Å; R589-E603 IonicContact NE-OE1 3.67Å; R589-E603 IonicContact NE-OE2 2.78Å; R589-E603 PolarHBondContact NE-OE2 3.11Å; R589-E603 IonicContact NH1-OE1 2.99Å; R589-E603 PolarHBondContact NH1-OE1 3.36Å; R589-E603 IonicContact NH1-OE2 3.39Å; R589-E603 PolarHBondContact NH1-OE2 2.72Å; R589-E603 VanDerWaalsContact NH2-CG 3.29Å; R589-E603 IonicContact NH2-OE1 3.57Å; R589-E603 PolarHBondContact NH2-OE1 3Å; R589-E603 IonicContact NH2-OE2 3.15Å; R589-E603 PolarHBondContact NH2-OE2 3.35Å; C601-E603 PolarHBondContact O-N 3.03Å
604	M	93.5	Very high	93.8	Very high	85 Å²	85	48.6 Å²	48.6	42%	0.419	29%	0.289	S	S	.	.	S	Bend	trans	-145.3	108.9	-166.4	-68.5	-158.2	-62.9	0	0	112.8	D590 C601 N606 V620 C621	D590-M604 WeakPolarHBondContact OD2-CA 3.46Å; D590-M604 PolarHBondContact OD2-N 2.75Å; C601-M604 PolarHBondContact O-N 3.5Å; M604-N606 PolarHBondContact O-N 3.2Å; M604-N606 VanDerWaalsContact O-N 3.14Å; M604-N606 PolarHBondContact O-OD1 3.45Å; M604-V620 HydrophobicContact CB-CG1 4.16Å; M604-V620 HydrophobicContact CE-CG1 4.39Å; M604-V620 VanDerWaalsContact CE-O 3.29Å; M604-V620 WeakPolarHBondContact CE-O 3.25Å; M604-C621 HydrophobicContact CE-CB 3.26Å
605	S	94.9	Very high	93.6	Very high	69 Å²	69	49 Å²	49	48%	0.483	29%	0.291	S	S	.	.			trans	-46.9	115.1	-175.2	178.8	0	0	0	0	114.4	D590 D592	D590-S605 VanDerWaalsContact OD2-CA 3.23Å; D590-S605 WeakPolarHBondContact OD2-CA 3.02Å; D590-S605 PolarHBondContact OD2-N 2.88Å; D592-S605 WeakPolarHBondContact CB-OG 3.11Å
606	N	94.4	Very high	93.3	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.027	31%	0.311	C	S	.	.			trans	-143.8	65.8	-179.6	64.3	-38.9	0	0	0	111.5	D592 D599 S600 C601 M604 T608 Q609 V620	D592-N606 WeakPolarHBondContact OD2-CA 3.35Å; D592-N606 PolarHBondContact OD2-N 2.78Å; D592-N606 PolarHBondContact OD2-OD1 2.86Å; D599-N606 PolarHBondContact OD1-OD1 3.35Å; D599-N606 VanDerWaalsContact OD1-OD1 3.05Å; S600-N606 PolarHBondContact OG-ND2 3.45Å; C601-N606 WeakPolarHBondContact CB-ND2 3.44Å; M604-N606 PolarHBondContact O-N 3.2Å; M604-N606 VanDerWaalsContact O-N 3.14Å; M604-N606 PolarHBondContact O-OD1 3.45Å; N606-T608 PolarHBondContact O-N 2.92Å; N606-Q609 VanDerWaalsContact CG-NE2 3.29Å; N606-Q609 PolarHBondContact ND2-NE2 3.26Å; N606-Q609 VanDerWaalsContact ND2-NE2 3.19Å; N606-Q609 PolarHBondContact O-N 3.14Å; N606-Q609 PolarHBondContact O-NE2 3Å; N606-Q609 VanDerWaalsContact O-NE2 3.13Å; N606-Q609 PolarHBondContact OD1-NE2 2.93Å; N606-V620 HydrophobicContact CB-CB 3.9Å; N606-V620 HydrophobicContact CB-CG1 4.46Å; N606-V620 HydrophobicContact CB-CG2 3.57Å
607	P	94.1	Very high	93.2	Very high	81 Å²	81	51.5 Å²	51.5	53%	0.526	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-13.6	-169.9	-23.9	30.6	0	0	0	116.3	D592	D592-P607 HydrophobicContact CB-CG 3.94Å; D592-P607 WeakPolarHBondContact O-CG 3.29Å; D592-P607 WeakPolarHBondContact OD2-CA 3.47Å
608	T	93.6	Very high	93.2	Very high	109 Å²	109	48.9 Å²	48.9	67%	0.669	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-12.7	179.4	53.4	0	0	0	0	113.8	N606 T610	N606-T608 PolarHBondContact O-N 2.92Å; T608-T610 PolarHBondContact O-N 3.47Å; T608-T610 VanDerWaalsContact O-N 3.14Å
609	Q	94.1	Very high	93.2	Very high	52 Å²	52	49.7 Å²	49.7	24%	0.243	28%	0.284	C	S	.	.			trans	46.9	43.9	178.6	-59.6	-67.2	-44.1	0	0	112.5	V594 D599 S600 N606	V594-Q609 HydrophobicContact CB-CG 4.45Å; V594-Q609 HydrophobicContact CG1-CG 4.07Å; V594-Q609 HydrophobicContact CG2-CG 3.84Å; D599-Q609 PolarHBondContact OD1-NE2 2.92Å; D599-Q609 PolarHBondContact OD1-OE1 3.12Å; S600-Q609 PolarHBondContact OG-OE1 2.04Å; N606-Q609 VanDerWaalsContact CG-NE2 3.29Å; N606-Q609 PolarHBondContact ND2-NE2 3.26Å; N606-Q609 VanDerWaalsContact ND2-NE2 3.19Å; N606-Q609 PolarHBondContact O-N 3.14Å; N606-Q609 PolarHBondContact O-NE2 3Å; N606-Q609 VanDerWaalsContact O-NE2 3.13Å; N606-Q609 PolarHBondContact OD1-NE2 2.93Å
610	T	93.3	Very high	93.1	Very high	64 Å²	64	52.8 Å²	52.8	39%	0.393	30%	0.303	S	S	.	.			trans	-78.5	132.6	178.5	52.6	0	0	0	0	109.3	T608 G618 D619	T608-T610 PolarHBondContact O-N 3.47Å; T608-T610 VanDerWaalsContact O-N 3.14Å; T610-G618 WeakPolarHBondContact O-CA 3.18Å; T610-D619 WeakPolarHBondContact CB-OD2 3.05Å; T610-D619 VanDerWaalsContact O-CG 3.24Å; T610-D619 PolarHBondContact O-N 3.25Å; T610-D619 PolarHBondContact OG1-OD2 3.42Å
611	D	92.1	Very high	93	Very high	44 Å²	44	52.6 Å²	52.6	24%	0.235	30%	0.301	C	S	.	.			trans	-138	95.6	179.4	170.8	1.5	0	0	0	106	S614 D615 L616	D611-S614 WeakPolarHBondContact OD1-CA 3.26Å; D611-S614 PolarHBondContact OD1-N 3.37Å; D611-S614 WeakPolarHBondContact OD2-CA 3.26Å; D611-D615 PolarHBondContact OD1-N 3.44Å; D611-D615 PolarHBondContact OD2-N 3.03Å; D611-L616 WeakPolarHBondContact OD2-CA 3.28Å; D611-L616 PolarHBondContact OD2-N 3.47Å
612	V	90.6	Very high	93	Very high	104 Å²	104	53.8 Å²	53.8	63%	0.63	31%	0.308	S	S	*	.	S	Bend	trans	-74.6	-33.9	-170.1	166.4	0	0	0	0	112.7	D619	V612-D619 WeakPolarHBondContact CG2-OD1 3.49Å; V612-D619 PolarHBondContact N-OD1 2.99Å
613	D	89.9	Confident	93	Very high	22 Å²	22	55.3 Å²	55.3	12%	0.118	32%	0.316	C	S	.	.	S	Bend	trans	-103.6	2.6	-178.3	58.1	5.6	0	0	0	113.4	D615 D800 S801	D613-D615 PolarHBondContact O-N 3.28Å; D613-D800 HydrophobicContact CB-CB 4.2Å; D613-S801 VanDerWaalsContact C-OG 3.25Å; D613-S801 WeakPolarHBondContact CA-OG 3.29Å; D613-S801 WeakPolarHBondContact O-CB 3.31Å; D613-S801 PolarHBondContact O-N 2.91Å; D613-S801 PolarHBondContact O-OG 3.09Å
614	S	92.8	Very high	92.8	Very high	28 Å²	28	54.2 Å²	54.2	20%	0.196	32%	0.315	C	S	.	.			trans	61.9	39.8	169.4	-55.3	0	0	0	0	113.4	D611 Q730 Y798	D611-S614 WeakPolarHBondContact OD1-CA 3.26Å; D611-S614 PolarHBondContact OD1-N 3.37Å; D611-S614 WeakPolarHBondContact OD2-CA 3.26Å; S614-Q730 PolarHBondContact O-NE2 2.91Å; S614-Y798 PolarHBondContact O-OH 2.82Å
615	D	90.8	Very high	92.9	Very high	31 Å²	31	56.4 Å²	56.4	17%	0.166	32%	0.324	C	S	.	.	S	Bend	trans	-96.2	-0.6	178.2	82.6	-16.7	0	0	0	113.4	D611 D613 V617 D800	D611-D615 PolarHBondContact OD1-N 3.44Å; D611-D615 PolarHBondContact OD2-N 3.03Å; D613-D615 PolarHBondContact O-N 3.28Å; D615-V617 VanDerWaalsContact C-N 3.3Å; D615-V617 WeakPolarHBondContact OD1-CA 3.31Å; D615-V617 VanDerWaalsContact OD1-CB 3.29Å; D615-V617 WeakPolarHBondContact OD1-CB 3.47Å; D615-V617 PolarHBondContact OD1-N 2.9Å; D615-D800 HydrophobicContact CB-CB 3.74Å
616	L	91.9	Very high	92.9	Very high	80 Å²	80	55.1 Å²	55.1	42%	0.419	31%	0.312	S	S	.	.	S	Bend	trans	76.4	9.1	-175.9	-45.9	173.4	0	0	0	114.6	D611 Y769	D611-L616 WeakPolarHBondContact OD2-CA 3.28Å; D611-L616 PolarHBondContact OD2-N 3.47Å; L616-Y769 HydrophobicContact CD1-CD1 4.12Å; L616-Y769 HydrophobicContact CD1-CE1 4.12Å
617	V	93.4	Very high	92.9	Very high	16 Å²	16	58.4 Å²	58.4	10%	0.097	34%	0.335	C	S	.	.	S	Bend	trans	-110.6	126.1	171.8	-171.9	0	0	0	0	109.3	D615 C621 D622 K636	D615-V617 VanDerWaalsContact C-N 3.3Å; D615-V617 WeakPolarHBondContact OD1-CA 3.31Å; D615-V617 VanDerWaalsContact OD1-CB 3.29Å; D615-V617 WeakPolarHBondContact OD1-CB 3.47Å; D615-V617 PolarHBondContact OD1-N 2.9Å; V617-C621 WeakPolarHBondContact CG1-SG 3.47Å; V617-D622 HydrophobicContact CG1-CB 4.07Å; V617-K636 HydrophobicContact CG1-CD 4.5Å; V617-K636 HydrophobicContact CG2-CD 4.14Å
618	G	93.3	Very high	92.9	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.313	C	S	.	.			trans	-71.8	148.5	-176	0	0	0	0	0	112	S600 C601 T610 V620 C621 D622	S600-G618 WeakPolarHBondContact OG-CA 2.98Å; C601-G618 VanDerWaalsContact SG-CA 3.54Å; C601-G618 PolarHBondContact SG-O 2.04Å; T610-G618 WeakPolarHBondContact O-CA 3.18Å; G618-V620 PolarHBondContact O-N 3.5Å; G618-C621 PolarHBondContact O-N 3.46Å; G618-C621 PolarHBondContact O-SG 2.74Å; G618-C621 VanDerWaalsContact O-SG 3.41Å; G618-D622 WeakPolarHBondContact O-CB 3.27Å; G618-D622 PolarHBondContact O-N 2.88Å
619	D	93.3	Very high	92.9	Very high	60 Å²	60	50.6 Å²	50.6	32%	0.321	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-25.2	-175.2	-59	-30.9	0	0	0	114.3	T610 V612	T610-D619 WeakPolarHBondContact CB-OD2 3.05Å; T610-D619 VanDerWaalsContact O-CG 3.24Å; T610-D619 PolarHBondContact O-N 3.25Å; T610-D619 PolarHBondContact OG1-OD2 3.42Å; V612-D619 WeakPolarHBondContact CG2-OD1 3.49Å; V612-D619 PolarHBondContact N-OD1 2.99Å
620	V	94	Very high	92.9	Very high	77 Å²	77	48.1 Å²	48.1	47%	0.467	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-33.5	-178.3	176.9	0	0	0	0	111.7	M604 N606 G618	M604-V620 HydrophobicContact CB-CG1 4.16Å; M604-V620 HydrophobicContact CE-CG1 4.39Å; M604-V620 VanDerWaalsContact CE-O 3.29Å; M604-V620 WeakPolarHBondContact CE-O 3.25Å; N606-V620 HydrophobicContact CB-CB 3.9Å; N606-V620 HydrophobicContact CB-CG1 4.46Å; N606-V620 HydrophobicContact CB-CG2 3.57Å; G618-V620 PolarHBondContact O-N 3.5Å
621	C	92.6	Very high	93	Very high	15 Å²	15	46.2 Å²	46.2	10%	0.101	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-10.9	179.9	61.8	0	0	0	0	114.3	S600 C601 M604 V617 G618 T623 Q633	S600-C621 PolarHBondContact O-SG 2.86Å; S600-C621 VanDerWaalsContact O-SG 3.34Å; C601-C621 WeakPolarHBondContact CA-SG 3.29Å; C601-C621 HydrophobicContact CB-CB 3.71Å; C601-C621 WeakPolarHBondContact CB-SG 3.39Å; C601-C621 WeakPolarHBondContact SG-CB 2.95Å; C601-C621 PolarHBondContact SG-N 3Å; C601-C621 CovalentContact SG-SG 2.03Å; C601-C621 PolarHBondContact SG-SG 2.71Å; M604-C621 HydrophobicContact CE-CB 3.26Å; V617-C621 WeakPolarHBondContact CG1-SG 3.47Å; G618-C621 PolarHBondContact O-N 3.46Å; G618-C621 PolarHBondContact O-SG 2.74Å; G618-C621 VanDerWaalsContact O-SG 3.41Å; C621-T623 PolarHBondContact O-N 2.84Å; C621-Q633 PolarHBondContact O-NE2 3.04Å
622	D	93.9	Very high	93.1	Very high	28 Å²	28	47 Å²	47	15%	0.15	27%	0.271	C	S	.	.			trans	-66.9	117.9	172.3	175.9	8.5	0	0	0	110.6	V617 G618 N624	V617-D622 HydrophobicContact CG1-CB 4.07Å; G618-D622 WeakPolarHBondContact O-CB 3.27Å; G618-D622 PolarHBondContact O-N 2.88Å; D622-N624 PolarHBondContact OD1-N 3.05Å; D622-N624 PolarHBondContact OD1-ND2 3.47Å; D622-N624 PolarHBondContact OD2-ND2 2.87Å
623	T	92.6	Very high	93.3	Very high	62 Å²	62	42.7 Å²	42.7	38%	0.38	24%	0.244	S	C	.	.			trans	-99.9	-16.6	175	60.4	0	0	0	0	112.7	C621 E625	C621-T623 PolarHBondContact O-N 2.84Å; T623-E625 PolarHBondContact O-N 2.76Å; T623-E625 PolarHBondContact OG1-N 3.46Å
624	N	90.6	Very high	93.5	Very high	107 Å²	107	43.7 Å²	43.7	57%	0.572	25%	0.25	S	C	*	.			trans	51.3	16.1	-167.5	-81	-98.4	0	0	0	113.6	D622 D626	D622-N624 PolarHBondContact OD1-N 3.05Å; D622-N624 PolarHBondContact OD1-ND2 3.47Å; D622-N624 PolarHBondContact OD2-ND2 2.87Å; N624-D626 PolarHBondContact O-N 3.18Å
625	E	94.4	Very high	93.4	Very high	131 Å²	131	47.3 Å²	47.3	61%	0.612	27%	0.271	S	S	*	.			trans	-92.6	93.1	178.7	-69.4	-173.1	176.7	0	0	108.6	T623 Q633 D634	T623-E625 PolarHBondContact O-N 2.76Å; T623-E625 PolarHBondContact OG1-N 3.46Å; E625-Q633 CarbonylContact O-C 3.48Å; E625-Q633 WeakPolarHBondContact O-CA 3.02Å; E625-D634 PolarHBondContact O-N 3.15Å
626	D	94.9	Very high	93.5	Very high	42 Å²	42	50.2 Å²	50.2	23%	0.225	28%	0.282	C	S	.	.			trans	-116.4	104.4	174	167.7	4.9	0	0	0	108.2	N624 D628 G629 D630 G631	N624-D626 PolarHBondContact O-N 3.18Å; D626-D628 PolarHBondContact OD1-N 3.14Å; D626-G629 VanDerWaalsContact OD1-CA 3.31Å; D626-G629 WeakPolarHBondContact OD1-CA 3.48Å; D626-G629 PolarHBondContact OD1-N 3.35Å; D626-G629 WeakPolarHBondContact OD2-CA 3.45Å; D626-D630 PolarHBondContact OD1-N 3.31Å; D626-D630 PolarHBondContact OD2-N 2.79Å; D626-D630 VanDerWaalsContact OD2-N 3.16Å; D626-G631 PolarHBondContact OD2-N 2.7Å
627	S	94.7	Very high	93.7	Very high	73 Å²	73	47 Å²	47	51%	0.51	27%	0.265	S	S	.	.	S	Bend	trans	-72.5	-31	-172.6	-80.8	0	0	0	0	113.6	D634	S627-D634 WeakPolarHBondContact CB-OD1 3.28Å; S627-D634 PolarHBondContact N-OD1 3.11Å; S627-D634 PolarHBondContact OG-OD1 3.06Å; S627-D634 PolarHBondContact OG-OD2 3.15Å
628	D	94.1	Very high	93.9	Very high	12 Å²	12	47.5 Å²	47.5	6%	0.064	27%	0.267	C	S	.	.	S	Bend	trans	-106.9	-16.5	-172.8	74.3	17.1	0	0	0	114.2	D626 D630 L642 P643 R913	D626-D628 PolarHBondContact OD1-N 3.14Å; D628-D630 WeakPolarHBondContact OD1-CB 3.33Å; D628-D630 PolarHBondContact OD1-N 2.91Å; D628-D630 VanDerWaalsContact OD1-N 3.1Å; D628-L642 WeakPolarHBondContact OD2-CA 3.49Å; D628-L642 PolarHBondContact OD2-N 2.97Å; D628-P643 HydrophobicContact CB-CG 4Å; D628-P643 WeakPolarHBondContact OD2-CA 3.44Å; D628-P643 VanDerWaalsContact OD2-N 3.1Å; D628-R913 WeakPolarHBondContact O-CD 3.09Å; D628-R913 PolarHBondContact O-NH1 2.94Å
629	G	93.9	Very high	94	Very high	14 Å²	14	47.6 Å²	47.6	14%	0.144	27%	0.268	C	S	.	.	S	Bend	trans	90.9	20.7	170.5	0	0	0	0	0	114.5	D626 Q799 R913	D626-G629 VanDerWaalsContact OD1-CA 3.31Å; D626-G629 WeakPolarHBondContact OD1-CA 3.48Å; D626-G629 PolarHBondContact OD1-N 3.35Å; D626-G629 WeakPolarHBondContact OD2-CA 3.45Å; G629-Q799 PolarHBondContact O-NE2 2.9Å; G629-R913 WeakPolarHBondContact O-CB 3.23Å; G629-R913 PolarHBondContact O-N 3.28Å
630	D	94.7	Very high	94.1	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	27%	0.267	C	S	.	.	S	Bend	trans	-85.6	-12.8	-174.5	89.8	-15.2	0	0	0	114.4	D626 D628 H632 P643 N644 S645 Q799	D626-D630 PolarHBondContact OD1-N 3.31Å; D626-D630 PolarHBondContact OD2-N 2.79Å; D626-D630 VanDerWaalsContact OD2-N 3.16Å; D628-D630 WeakPolarHBondContact OD1-CB 3.33Å; D628-D630 PolarHBondContact OD1-N 2.91Å; D628-D630 VanDerWaalsContact OD1-N 3.1Å; D630-H632 IonicContact OD1-CD2 3.4Å; D630-H632 PolarHBondContact OD1-N 3.21Å; D630-H632 IonicContact OD2-CD2 2.83Å; D630-P643 HydrophobicContact CB-CB 3.78Å; D630-N644 PolarHBondContact OD2-N 2.81Å; D630-N644 PolarHBondContact OD2-OD1 2.74Å; D630-S645 PolarHBondContact O-OG 3.28Å; D630-S645 PolarHBondContact OD2-N 3.08Å; D630-Q799 PolarHBondContact O-NE2 2.89Å
631	G	93.4	Very high	94.1	Very high	23 Å²	23	50 Å²	50	24%	0.237	28%	0.276	C	S	.	.	S	Bend	trans	104.1	-2.7	178.2	0	0	0	0	0	115	D626 Q799	D626-G631 PolarHBondContact OD2-N 2.7Å; G631-Q799 VanDerWaalsContact N-NE2 3.13Å
632	H	94.9	Very high	94.2	Very high	61 Å²	61	53.4 Å²	53.4	28%	0.282	29%	0.293	S	S	.	.	S	Bend	trans	-102.7	134.3	169.5	-63.9	-77.6	0	0	0	109.7	D630 D637 S645 Q647	D630-H632 IonicContact OD1-CD2 3.4Å; D630-H632 PolarHBondContact OD1-N 3.21Å; D630-H632 IonicContact OD2-CD2 2.83Å; H632-D637 HydrophobicContact CB-CB 3.97Å; H632-S645 PolarHBondContact NE2-O 2.83Å; H632-Q647 VanDerWaalsContact CD2-CG 3.43Å; H632-Q647 WeakPolarHBondContact CD2-CG 3.23Å; H632-Q647 VanDerWaalsContact NE2-CG 3.25Å; H632-Q647 WeakPolarHBondContact NE2-CG 3.35Å
633	Q	94.9	Very high	94.3	Very high	13 Å²	13	53.9 Å²	53.9	6%	0.061	30%	0.298	C	S	.	.			trans	-70	147.7	175.6	65.4	-177.7	65.5	0	0	111.3	C621 E625 T635 K636 D637	C621-Q633 PolarHBondContact O-NE2 3.04Å; E625-Q633 CarbonylContact O-C 3.48Å; E625-Q633 WeakPolarHBondContact O-CA 3.02Å; Q633-T635 PolarHBondContact NE2-OG1 3.09Å; Q633-T635 PolarHBondContact O-N 2.88Å; Q633-K636 HydrophobicContact CG-CB 4.05Å; Q633-K636 HydrophobicContact CG-CG 4.16Å; Q633-K636 PolarHBondContact O-N 2.03Å; Q633-D637 WeakPolarHBondContact O-CB 3.29Å; Q633-D637 PolarHBondContact O-N 3.4Å
634	D	94.4	Very high	94.4	Very high	44 Å²	44	51 Å²	51	24%	0.235	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-25.7	-174.7	-73	-3.3	0	0	0	114.4	E625 S627	E625-D634 PolarHBondContact O-N 3.15Å; S627-D634 WeakPolarHBondContact CB-OD1 3.28Å; S627-D634 PolarHBondContact N-OD1 3.11Å; S627-D634 PolarHBondContact OG-OD1 3.06Å; S627-D634 PolarHBondContact OG-OD2 3.15Å
635	T	91.1	Very high	94.6	Very high	104 Å²	104	46 Å²	46	64%	0.638	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-18.3	-179.9	62	0	0	0	0	114.4	Q633	Q633-T635 PolarHBondContact NE2-OG1 3.09Å; Q633-T635 PolarHBondContact O-N 2.88Å
636	K	92.4	Very high	94.6	Very high	91 Å²	91	41 Å²	41	40%	0.396	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-8.5	179.3	-70.3	-168.3	176.3	-176.4	0	112.4	S600 V617 Q633	S600-K636 PolarHBondContact O-NZ 3.43Å; S600-K636 VanDerWaalsContact O-NZ 3.09Å; V617-K636 HydrophobicContact CG1-CD 4.5Å; V617-K636 HydrophobicContact CG2-CD 4.14Å; Q633-K636 HydrophobicContact CG-CB 4.05Å; Q633-K636 HydrophobicContact CG-CG 4.16Å; Q633-K636 PolarHBondContact O-N 2.03Å
637	D	96.4	Very high	94.7	Very high	12 Å²	12	40.8 Å²	40.8	6%	0.064	23%	0.23	C	C	.	.			trans	-80.8	126.6	177.8	-173.7	-6.1	0	0	0	111.7	H632 Q633 C639 P640 N644 Q647	H632-D637 HydrophobicContact CB-CB 3.97Å; Q633-D637 WeakPolarHBondContact O-CB 3.29Å; Q633-D637 PolarHBondContact O-N 3.4Å; D637-C639 VanDerWaalsContact C-N 3.28Å; D637-C639 VanDerWaalsContact OD1-C 3.29Å; D637-C639 WeakPolarHBondContact OD1-CA 3.24Å; D637-C639 PolarHBondContact OD1-N 3.15Å; D637-P640 HydrophobicContact CB-CG 4.3Å; D637-P640 WeakPolarHBondContact O-CD 3.04Å; D637-P640 WeakPolarHBondContact O-CG 3.44Å; D637-P640 WeakPolarHBondContact OD2-CA 3.27Å; D637-N644 PolarHBondContact OD1-OD1 3.39Å; D637-Q647 PolarHBondContact OD1-NE2 3.15Å
638	N	96.4	Very high	94.7	Very high	28 Å²	28	38.7 Å²	38.7	15%	0.15	21%	0.213	C	C	.	.	S	Bend	trans	-76.9	-11.3	175.1	66.8	3.2	0	0	0	113.3	N644 Q647 G656 C659	N638-N644 PolarHBondContact OD1-ND2 3.44Å; N638-Q647 PolarHBondContact ND2-O 3.09Å; N638-Q647 VanDerWaalsContact ND2-O 3.14Å; N638-Q647 VanDerWaalsContact OD1-CD 3.3Å; N638-Q647 PolarHBondContact OD1-NE2 2.8Å; N638-Q647 PolarHBondContact OD1-OE1 2.77Å; N638-Q647 VanDerWaalsContact OD1-OE1 3.1Å; N638-G656 VanDerWaalsContact CG-CA 3.5Å; N638-G656 VanDerWaalsContact ND2-CA 3.33Å; N638-G656 WeakPolarHBondContact ND2-CA 3.49Å; N638-G656 PolarHBondContact O-N 2.84Å; N638-C659 PolarHBondContact O-SG 2.8Å; N638-C659 VanDerWaalsContact O-SG 3.42Å
639	C	96.4	Very high	94.8	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.014	22%	0.219	C	C	.	.	S	Bend	trans	-137.1	68	170.9	-65.5	0	0	0	0	113.8	D637 Q641 L642 N644 G656 C659	D637-C639 VanDerWaalsContact C-N 3.28Å; D637-C639 VanDerWaalsContact OD1-C 3.29Å; D637-C639 WeakPolarHBondContact OD1-CA 3.24Å; D637-C639 PolarHBondContact OD1-N 3.15Å; C639-Q641 PolarHBondContact O-N 2.74Å; C639-L642 PolarHBondContact O-N 3.24Å; C639-N644 WeakPolarHBondContact CB-OD1 3.38Å; C639-G656 WeakPolarHBondContact SG-CA 3.4Å; C639-G656 PolarHBondContact SG-N 3Å; C639-G656 PolarHBondContact SG-O 2.84Å; C639-C659 WeakPolarHBondContact CA-SG 3.48Å; C639-C659 HydrophobicContact CB-CB 3.72Å; C639-C659 WeakPolarHBondContact CB-SG 3.28Å; C639-C659 WeakPolarHBondContact SG-CB 3.24Å; C639-C659 PolarHBondContact SG-N 3.46Å; C639-C659 VanDerWaalsContact SG-N 3.44Å; C639-C659 CovalentContact SG-SG 2.04Å; C639-C659 PolarHBondContact SG-SG 3.44Å
640	P	95.9	Very high	94.8	Very high	45 Å²	45	41.2 Å²	41.2	29%	0.292	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	0.7	-169	-27.3	35.4	0	0	0	119.7	D637	D637-P640 HydrophobicContact CB-CG 4.3Å; D637-P640 WeakPolarHBondContact O-CD 3.04Å; D637-P640 WeakPolarHBondContact O-CG 3.44Å; D637-P640 WeakPolarHBondContact OD2-CA 3.27Å
641	Q	94	Very high	94.7	Very high	142 Å²	142	42.9 Å²	42.9	66%	0.664	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-131.8	-5.1	-176.3	-57.8	-67	-66.9	0	0	112.6	C639	C639-Q641 PolarHBondContact O-N 2.74Å
642	L	93.9	Very high	94.8	Very high	87 Å²	87	48.1 Å²	48.1	46%	0.455	26%	0.258	S	S	.	.	S	Bend	trans	-133.2	111.8	-174.7	-73.9	178.5	0	0	0	108.9	D628 C639 N644 C659	D628-L642 WeakPolarHBondContact OD2-CA 3.49Å; D628-L642 PolarHBondContact OD2-N 2.97Å; C639-L642 PolarHBondContact O-N 3.24Å; L642-N644 PolarHBondContact O-N 3.12Å; L642-N644 VanDerWaalsContact O-N 3.16Å; L642-N644 PolarHBondContact O-OD1 3.37Å; L642-C659 HydrophobicContact CD1-CB 3.9Å
643	P	95.1	Very high	94.7	Very high	38 Å²	38	49 Å²	49	25%	0.247	27%	0.265	C	S	.	.			trans	-59.4	120.2	-171.1	-26.2	33.4	0	0	0	112.9	D628 D630 R913	D628-P643 HydrophobicContact CB-CG 4Å; D628-P643 WeakPolarHBondContact OD2-CA 3.44Å; D628-P643 VanDerWaalsContact OD2-N 3.1Å; D630-P643 HydrophobicContact CB-CB 3.78Å; P643-R913 HydrophobicContact CB-CB 3.91Å; P643-R913 HydrophobicContact CG-CB 4.23Å; P643-R913 VanDerWaalsContact CG-CD 3.5Å
644	N	95.3	Very high	94.7	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	29%	0.285	C	S	.	.			trans	-148.4	61.8	-179.1	70.2	-40.4	0	0	0	110.6	D630 D637 N638 C639 L642 S646 Q647 E658 N773	D630-N644 PolarHBondContact OD2-N 2.81Å; D630-N644 PolarHBondContact OD2-OD1 2.74Å; D637-N644 PolarHBondContact OD1-OD1 3.39Å; N638-N644 PolarHBondContact OD1-ND2 3.44Å; C639-N644 WeakPolarHBondContact CB-OD1 3.38Å; L642-N644 PolarHBondContact O-N 3.12Å; L642-N644 VanDerWaalsContact O-N 3.16Å; L642-N644 PolarHBondContact O-OD1 3.37Å; N644-S646 PolarHBondContact O-N 3.31Å; N644-Q647 PolarHBondContact ND2-NE2 2.96Å; N644-Q647 WeakPolarHBondContact O-CA 3.4Å; N644-Q647 PolarHBondContact O-N 3.45Å; N644-Q647 PolarHBondContact O-NE2 3.46Å; N644-Q647 VanDerWaalsContact O-NE2 3.12Å; N644-Q647 PolarHBondContact OD1-NE2 3.5Å; N644-E658 HydrophobicContact CB-CB 3.88Å; N644-E658 HydrophobicContact CB-CG 3.65Å; N644-N773 WeakPolarHBondContact CA-OD1 3.28Å
645	S	95.4	Very high	94.8	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.007	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-27.1	179.7	-54.4	0	0	0	0	115.6	D630 H632 Q647 A771 N773 R913 G914 G915	D630-S645 PolarHBondContact O-OG 3.28Å; D630-S645 PolarHBondContact OD2-N 3.08Å; H632-S645 PolarHBondContact NE2-O 2.83Å; S645-Q647 VanDerWaalsContact C-N 3.32Å; S645-A771 WeakPolarHBondContact O-CB 3.35Å; S645-N773 PolarHBondContact N-OD1 3.31Å; S645-R913 PolarHBondContact OG-O 2.73Å; S645-G914 WeakPolarHBondContact OG-CA 3.18Å; S645-G915 VanDerWaalsContact CB-N 3.31Å; S645-G915 PolarHBondContact OG-N 3.16Å
646	S	94.9	Very high	95	Very high	27 Å²	27	47.5 Å²	47.5	19%	0.189	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-18.4	175	59.9	0	0	0	0	114.5	N644 L648 N773	N644-S646 PolarHBondContact O-N 3.31Å; S646-L648 PolarHBondContact O-N 3.44Å; S646-L648 VanDerWaalsContact O-N 3.13Å; S646-N773 PolarHBondContact N-OD1 2.65Å; S646-N773 PolarHBondContact OG-ND2 2.8Å; S646-N773 VanDerWaalsContact OG-ND2 3.09Å; S646-N773 PolarHBondContact OG-OD1 2.77Å
647	Q	95.6	Very high	95.1	Very high	37 Å²	37	44 Å²	44	17%	0.173	25%	0.25	C	S	.	.			trans	51.1	32.8	178.5	-63	-76.5	-67.8	0	0	114	H632 D637 N638 N644 S645 D649	H632-Q647 VanDerWaalsContact CD2-CG 3.43Å; H632-Q647 WeakPolarHBondContact CD2-CG 3.23Å; H632-Q647 VanDerWaalsContact NE2-CG 3.25Å; H632-Q647 WeakPolarHBondContact NE2-CG 3.35Å; D637-Q647 PolarHBondContact OD1-NE2 3.15Å; N638-Q647 PolarHBondContact ND2-O 3.09Å; N638-Q647 VanDerWaalsContact ND2-O 3.14Å; N638-Q647 VanDerWaalsContact OD1-CD 3.3Å; N638-Q647 PolarHBondContact OD1-NE2 2.8Å; N638-Q647 PolarHBondContact OD1-OE1 2.77Å; N638-Q647 VanDerWaalsContact OD1-OE1 3.1Å; N644-Q647 PolarHBondContact ND2-NE2 2.96Å; N644-Q647 WeakPolarHBondContact O-CA 3.4Å; N644-Q647 PolarHBondContact O-N 3.45Å; N644-Q647 PolarHBondContact O-NE2 3.46Å; N644-Q647 VanDerWaalsContact O-NE2 3.12Å; N644-Q647 PolarHBondContact OD1-NE2 3.5Å; S645-Q647 VanDerWaalsContact C-N 3.32Å; Q647-D649 PolarHBondContact O-N 2.81Å
648	L	95	Very high	95	Very high	29 Å²	29	48.5 Å²	48.5	15%	0.152	27%	0.271	C	S	.	.			trans	-61.4	135.3	177.9	-60.4	174	0	0	0	110.3	S646 G656 D657 S718	S646-L648 PolarHBondContact O-N 3.44Å; S646-L648 VanDerWaalsContact O-N 3.13Å; L648-G656 CarbonylContact O-C 3.56Å; L648-G656 WeakPolarHBondContact O-CA 3.13Å; L648-D657 PolarHBondContact O-N 2.99Å; L648-S718 VanDerWaalsContact CD2-OG 3.26Å; L648-S718 WeakPolarHBondContact CD2-OG 3.23Å
649	D	95.5	Very high	94.9	Very high	35 Å²	35	49.6 Å²	49.6	19%	0.187	28%	0.28	C	S	.	.			trans	-144.8	82.2	180	176.2	-2	0	0	0	106.9	Q647 D651 N652 D653 G654 D657	Q647-D649 PolarHBondContact O-N 2.81Å; D649-D651 VanDerWaalsContact C-N 3.31Å; D649-D651 PolarHBondContact O-N 3.34Å; D649-N652 VanDerWaalsContact CG-CA 3.48Å; D649-N652 PolarHBondContact O-N 3.34Å; D649-N652 PolarHBondContact O-ND2 3.17Å; D649-N652 WeakPolarHBondContact OD1-CA 3.31Å; D649-N652 PolarHBondContact OD1-N 3.37Å; D649-N652 WeakPolarHBondContact OD2-CA 3.46Å; D649-D653 PolarHBondContact OD1-N 2.77Å; D649-G654 VanDerWaalsContact OD2-CA 3.27Å; D649-G654 WeakPolarHBondContact OD2-CA 3.13Å; D649-G654 PolarHBondContact OD2-N 3.37Å; D649-D657 WeakPolarHBondContact CA-OD1 3.38Å
650	S	94	Very high	94.8	Very high	44 Å²	44	51.2 Å²	51.2	31%	0.308	29%	0.288	S	S	.	.	S	Bend	trans	-65.5	-30.9	-166.3	-73.8	0	0	0	0	113.2	D657 D663	S650-D657 PolarHBondContact N-OD1 3.35Å; S650-D657 PolarHBondContact OG-OD1 2.81Å; S650-D657 PolarHBondContact OG-OD2 3.28Å; S650-D663 VanDerWaalsContact CB-O 3.28Å; S650-D663 WeakPolarHBondContact CB-O 3.13Å
651	D	93.2	Very high	94.8	Very high	37 Å²	37	50.9 Å²	50.9	20%	0.198	29%	0.293	C	S	.	.	S	Bend	trans	-100.8	-5.5	177.5	66	29.4	0	0	0	115	D649 D653 D663 N665	D649-D651 VanDerWaalsContact C-N 3.31Å; D649-D651 PolarHBondContact O-N 3.34Å; D651-D653 VanDerWaalsContact OD1-CB 3.28Å; D651-D653 WeakPolarHBondContact OD1-CB 3.42Å; D651-D653 PolarHBondContact OD1-N 3.04Å; D651-D663 WeakPolarHBondContact CB-O 3.3Å; D651-D663 PolarHBondContact N-O 2.97Å; D651-N665 HydrophobicContact CB-CB 4.05Å; D651-N665 VanDerWaalsContact CG-ND2 3.32Å; D651-N665 WeakPolarHBondContact OD2-CB 3.4Å; D651-N665 PolarHBondContact OD2-N 2.82Å; D651-N665 PolarHBondContact OD2-ND2 3.24Å
652	N	94.9	Very high	94.9	Very high	133 Å²	133	45.4 Å²	45.4	71%	0.711	27%	0.268	S	S	*	.			trans	61.2	36.7	178.6	-62.1	-104.9	0	0	0	113.5	D649	D649-N652 VanDerWaalsContact CG-CA 3.48Å; D649-N652 PolarHBondContact O-N 3.34Å; D649-N652 PolarHBondContact O-ND2 3.17Å; D649-N652 WeakPolarHBondContact OD1-CA 3.31Å; D649-N652 PolarHBondContact OD1-N 3.37Å; D649-N652 WeakPolarHBondContact OD2-CA 3.46Å
653	D	94.8	Very high	94.9	Very high	78 Å²	78	41.4 Å²	41.4	42%	0.417	25%	0.248	S	C	.	.	S	Bend	trans	-86.8	-9.4	176.2	95.5	-0.6	0	0	0	114	D649 D651 L655 N665	D649-D653 PolarHBondContact OD1-N 2.77Å; D651-D653 VanDerWaalsContact OD1-CB 3.28Å; D651-D653 WeakPolarHBondContact OD1-CB 3.42Å; D651-D653 PolarHBondContact OD1-N 3.04Å; D653-L655 VanDerWaalsContact OD1-CB 3.29Å; D653-L655 WeakPolarHBondContact OD1-CB 3.45Å; D653-L655 WeakPolarHBondContact OD1-CG 3.05Å; D653-L655 PolarHBondContact OD1-N 3.14Å; D653-N665 PolarHBondContact OD2-ND2 3.42Å; D653-N665 VanDerWaalsContact OD2-ND2 3.12Å
654	G	93.8	Very high	94.9	Very high	47 Å²	47	40.1 Å²	40.1	49%	0.485	24%	0.238	S	C	.	.	S	Bend	trans	93.6	3.4	179.4	0	0	0	0	0	114.5	D649	D649-G654 VanDerWaalsContact OD2-CA 3.27Å; D649-G654 WeakPolarHBondContact OD2-CA 3.13Å; D649-G654 PolarHBondContact OD2-N 3.37Å
655	L	96.4	Very high	94.9	Very high	83 Å²	83	44.2 Å²	44.2	44%	0.435	26%	0.26	S	S	.	.	S	Bend	trans	-99.4	136.7	164.4	-62.3	172.4	0	0	0	108.7	D653 D660	D653-L655 VanDerWaalsContact OD1-CB 3.29Å; D653-L655 WeakPolarHBondContact OD1-CB 3.45Å; D653-L655 WeakPolarHBondContact OD1-CG 3.05Å; D653-L655 PolarHBondContact OD1-N 3.14Å; L655-D660 HydrophobicContact CB-CB 4.43Å
656	G	95.9	Very high	94.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	27%	0.266	C	S	.	.			trans	-79	149.8	176.7	0	0	0	0	0	112.6	N638 C639 L648 E658 C659 D660	N638-G656 VanDerWaalsContact CG-CA 3.5Å; N638-G656 VanDerWaalsContact ND2-CA 3.33Å; N638-G656 WeakPolarHBondContact ND2-CA 3.49Å; N638-G656 PolarHBondContact O-N 2.84Å; C639-G656 WeakPolarHBondContact SG-CA 3.4Å; C639-G656 PolarHBondContact SG-N 3Å; C639-G656 PolarHBondContact SG-O 2.84Å; L648-G656 CarbonylContact O-C 3.56Å; L648-G656 WeakPolarHBondContact O-CA 3.13Å; G656-E658 PolarHBondContact O-N 3.17Å; G656-C659 CarbonylContact O-C 3.14Å; G656-C659 PolarHBondContact O-N 3.44Å; G656-C659 PolarHBondContact O-SG 3.17Å; G656-D660 PolarHBondContact O-N 3.44Å
657	D	94.8	Very high	94.9	Very high	19 Å²	19	46.2 Å²	46.2	10%	0.102	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-32.5	-177.1	-63.3	3	0	0	0	112.9	L648 D649 S650 C659 D663	L648-D657 PolarHBondContact O-N 2.99Å; D649-D657 WeakPolarHBondContact CA-OD1 3.38Å; S650-D657 PolarHBondContact N-OD1 3.35Å; S650-D657 PolarHBondContact OG-OD1 2.81Å; S650-D657 PolarHBondContact OG-OD2 3.28Å; D657-C659 VanDerWaalsContact C-N 3.3Å; D657-C659 PolarHBondContact O-N 3.3Å; D657-D663 WeakPolarHBondContact CA-OD1 3.45Å
658	E	92.9	Very high	94.9	Very high	106 Å²	106	45.8 Å²	45.8	50%	0.495	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-22.2	179.9	-71	-71.3	166.1	0	0	113.8	N644 G656	N644-E658 HydrophobicContact CB-CB 3.88Å; N644-E658 HydrophobicContact CB-CG 3.65Å; G656-E658 PolarHBondContact O-N 3.17Å
659	C	94.5	Very high	94.9	Very high	51 Å²	51	45.7 Å²	45.7	35%	0.345	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119	-3	179.6	69	0	0	0	0	114.3	N638 C639 L642 G656 D657	N638-C659 PolarHBondContact O-SG 2.8Å; N638-C659 VanDerWaalsContact O-SG 3.42Å; C639-C659 WeakPolarHBondContact CA-SG 3.48Å; C639-C659 HydrophobicContact CB-CB 3.72Å; C639-C659 WeakPolarHBondContact CB-SG 3.28Å; C639-C659 WeakPolarHBondContact SG-CB 3.24Å; C639-C659 PolarHBondContact SG-N 3.46Å; C639-C659 VanDerWaalsContact SG-N 3.44Å; C639-C659 CovalentContact SG-SG 2.04Å; C639-C659 PolarHBondContact SG-SG 3.44Å; L642-C659 HydrophobicContact CD1-CB 3.9Å; G656-C659 CarbonylContact O-C 3.14Å; G656-C659 PolarHBondContact O-N 3.44Å; G656-C659 PolarHBondContact O-SG 3.17Å; D657-C659 VanDerWaalsContact C-N 3.3Å; D657-C659 PolarHBondContact O-N 3.3Å
660	D	95.5	Very high	94.8	Very high	35 Å²	35	44.3 Å²	44.3	19%	0.187	27%	0.272	C	S	.	.			trans	-78.8	164.2	164.5	-150.7	-21.1	0	0	0	111	L655 G656 D662	L655-D660 HydrophobicContact CB-CB 4.43Å; G656-D660 PolarHBondContact O-N 3.44Å; D660-D662 PolarHBondContact OD1-N 3.14Å
661	G	94.8	Very high	94.8	Very high	38 Å²	38	50.1 Å²	50.1	39%	0.392	29%	0.289	S	S	.	.	S	Bend	trans	-127	13.7	170.9	0	0	0	0	0	113.7	P669 D670	G661-P669 WeakPolarHBondContact O-CA 3.36Å; G661-P669 VanDerWaalsContact O-CB 3.31Å; G661-P669 WeakPolarHBondContact O-CB 3.21Å; G661-D670 VanDerWaalsContact CA-OD2 3.27Å; G661-D670 WeakPolarHBondContact CA-OD2 3.16Å; G661-D670 PolarHBondContact O-N 3.18Å
662	D	95.8	Very high	94.7	Very high	28 Å²	28	52.5 Å²	52.5	15%	0.15	31%	0.305	C	S	.	.			trans	-154.2	69.7	177.1	-169.4	3	0	0	0	108.6	D660 D664 N665 D666 G667 D670	D660-D662 PolarHBondContact OD1-N 3.14Å; D662-D664 PolarHBondContact O-N 3.49Å; D662-N665 PolarHBondContact O-N 3.28Å; D662-D666 PolarHBondContact OD1-N 2.88Å; D662-G667 VanDerWaalsContact OD2-CA 3.31Å; D662-G667 WeakPolarHBondContact OD2-CA 3.33Å; D662-G667 PolarHBondContact OD2-N 3.46Å; D662-D670 PolarHBondContact N-OD2 2.81Å
663	D	95.6	Very high	94.3	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.016	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.7	-166.7	-64.3	-15.2	0	0	0	114.7	S650 D651 D657 D670 R680 L681	S650-D663 VanDerWaalsContact CB-O 3.28Å; S650-D663 WeakPolarHBondContact CB-O 3.13Å; D651-D663 WeakPolarHBondContact CB-O 3.3Å; D651-D663 PolarHBondContact N-O 2.97Å; D657-D663 WeakPolarHBondContact CA-OD1 3.45Å; D663-D670 PolarHBondContact N-OD1 2.6Å; D663-D670 VanDerWaalsContact N-OD1 3.14Å; D663-R680 HydrophobicContact CB-CG 4.15Å; D663-R680 WeakPolarHBondContact OD2-CD 3.27Å; D663-R680 VanDerWaalsContact OD2-CG 3.22Å; D663-R680 WeakPolarHBondContact OD2-CG 3.22Å; D663-R680 IonicContact OD2-NE 2.79Å; D663-R680 PolarHBondContact OD2-NE 2.78Å; D663-L681 HydrophobicContact CB-CD2 4.14Å
664	D	94.8	Very high	93.9	Very high	10 Å²	10	52.9 Å²	52.9	5%	0.053	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	4.6	179.9	74.3	2.3	0	0	0	113.8	D662 D666 R680 V682 P683	D662-D664 PolarHBondContact O-N 3.49Å; D664-D666 PolarHBondContact O-N 2.86Å; D664-D666 VanDerWaalsContact O-N 3.11Å; D664-D666 VanDerWaalsContact OD1-CB 3.22Å; D664-D666 WeakPolarHBondContact OD1-CB 3.09Å; D664-D666 PolarHBondContact OD1-N 2.88Å; D664-D666 VanDerWaalsContact OD1-N 3.12Å; D664-R680 WeakPolarHBondContact CB-O 3.09Å; D664-V682 PolarHBondContact OD2-N 2.96Å; D664-P683 HydrophobicContact CB-CG 3.99Å; D664-P683 WeakPolarHBondContact OD2-CA 3.47Å; D664-P683 VanDerWaalsContact OD2-N 3.07Å
665	N	95.8	Very high	93.5	Very high	87 Å²	87	51.2 Å²	51.2	47%	0.465	30%	0.302	S	S	.	.			trans	49.5	32.7	179.8	-104.9	-49.5	0	0	0	113.9	D651 D653 D662 G667	D651-N665 HydrophobicContact CB-CB 4.05Å; D651-N665 VanDerWaalsContact CG-ND2 3.32Å; D651-N665 WeakPolarHBondContact OD2-CB 3.4Å; D651-N665 PolarHBondContact OD2-N 2.82Å; D651-N665 PolarHBondContact OD2-ND2 3.24Å; D653-N665 PolarHBondContact OD2-ND2 3.42Å; D653-N665 VanDerWaalsContact OD2-ND2 3.12Å; D662-N665 PolarHBondContact O-N 3.28Å; N665-G667 VanDerWaalsContact C-N 3.34Å
666	D	95.4	Very high	93.3	Very high	23 Å²	23	51.7 Å²	51.7	12%	0.123	31%	0.309	C	S	.	.	S	Bend	trans	-83.6	-13.5	-178.8	101.7	-3.6	0	0	0	113.2	D662 D664 I668 P683 N684 P685	D662-D666 PolarHBondContact OD1-N 2.88Å; D664-D666 PolarHBondContact O-N 2.86Å; D664-D666 VanDerWaalsContact O-N 3.11Å; D664-D666 VanDerWaalsContact OD1-CB 3.22Å; D664-D666 WeakPolarHBondContact OD1-CB 3.09Å; D664-D666 PolarHBondContact OD1-N 2.88Å; D664-D666 VanDerWaalsContact OD1-N 3.12Å; D666-I668 VanDerWaalsContact OD1-CB 3.26Å; D666-I668 WeakPolarHBondContact OD1-CB 3.41Å; D666-I668 VanDerWaalsContact OD1-CG1 3.31Å; D666-I668 WeakPolarHBondContact OD1-CG1 3.45Å; D666-I668 PolarHBondContact OD1-N 3.37Å; D666-P683 HydrophobicContact CB-CB 4.01Å; D666-N684 VanDerWaalsContact OD2-CA 3.29Å; D666-N684 WeakPolarHBondContact OD2-CA 3.33Å; D666-N684 PolarHBondContact OD2-N 3.27Å; D666-N684 PolarHBondContact OD2-OD1 3.24Å; D666-P685 HydrophobicContact CB-CG 3.87Å; D666-P685 VanDerWaalsContact OD2-CA 3.26Å; D666-P685 WeakPolarHBondContact OD2-CA 3.07Å; D666-P685 VanDerWaalsContact OD2-CD 3.31Å; D666-P685 WeakPolarHBondContact OD2-CD 3.29Å
667	G	93.6	Very high	93.3	Very high	48 Å²	48	52.5 Å²	52.5	50%	0.495	31%	0.314	S	S	.	.	S	Bend	trans	97.5	6.3	179.6	0	0	0	0	0	114.9	D662 N665	D662-G667 VanDerWaalsContact OD2-CA 3.31Å; D662-G667 WeakPolarHBondContact OD2-CA 3.33Å; D662-G667 PolarHBondContact OD2-N 3.46Å; N665-G667 VanDerWaalsContact C-N 3.34Å
668	I	96	Very high	93.2	Very high	28 Å²	28	52.5 Å²	52.5	14%	0.144	31%	0.314	C	S	.	.	S	Bend	trans	-109.7	112.5	172.9	-57.8	-62.5	0	0	0	109.2	D666 P674 D677 Q687	D666-I668 VanDerWaalsContact OD1-CB 3.26Å; D666-I668 WeakPolarHBondContact OD1-CB 3.41Å; D666-I668 VanDerWaalsContact OD1-CG1 3.31Å; D666-I668 WeakPolarHBondContact OD1-CG1 3.45Å; D666-I668 PolarHBondContact OD1-N 3.37Å; I668-P674 HydrophobicContact CD1-CG 4.44Å; I668-D677 VanDerWaalsContact CB-OD2 3.31Å; I668-D677 WeakPolarHBondContact CB-OD2 3.28Å; I668-D677 HydrophobicContact CG2-CB 4.12Å; I668-D677 WeakPolarHBondContact CG2-OD2 3.49Å; I668-Q687 HydrophobicContact CD1-CG 4.41Å; I668-Q687 HydrophobicContact CG1-CG 3.98Å; I668-Q687 HydrophobicContact CG2-CG 4.22Å
669	P	95.4	Very high	93.3	Very high	27 Å²	27	47.5 Å²	47.5	18%	0.175	29%	0.29	C	S	.	.			trans	-67.4	143.8	-178.2	-21.1	32.3	0	0	0	113.6	G661 Y671 V672 D677	G661-P669 WeakPolarHBondContact O-CA 3.36Å; G661-P669 VanDerWaalsContact O-CB 3.31Å; G661-P669 WeakPolarHBondContact O-CB 3.21Å; P669-Y671 PolarHBondContact O-N 2.89Å; P669-V672 HydrophobicContact CB-CG2 3.44Å; P669-V672 VanDerWaalsContact CB-CG2 3.44Å; P669-V672 HydrophobicContact CG-CG2 4.07Å; P669-D677 PolarHBondContact O-N 3.46Å
670	D	93.6	Very high	93.3	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.027	28%	0.28	C	S	.	.	S	Bend	trans	-58.4	-47.1	-170	-36.5	-50.8	0	0	0	113.1	G661 D662 D663 P676 D677 R680	G661-D670 VanDerWaalsContact CA-OD2 3.27Å; G661-D670 WeakPolarHBondContact CA-OD2 3.16Å; G661-D670 PolarHBondContact O-N 3.18Å; D662-D670 PolarHBondContact N-OD2 2.81Å; D663-D670 PolarHBondContact N-OD1 2.6Å; D663-D670 VanDerWaalsContact N-OD1 3.14Å; D670-P676 CarbonylContact O-C 3.59Å; D670-P676 WeakPolarHBondContact O-CA 3.32Å; D670-P676 WeakPolarHBondContact O-CB 3.46Å; D670-D677 PolarHBondContact O-N 2.9Å; D670-R680 HydrophobicContact CB-CG 3.89Å
671	Y	92.6	Very high	93.2	Very high	167 Å²	167	45.7 Å²	45.7	66%	0.655	28%	0.275	S	S	*	.	S	Bend	trans	-116.2	-17.2	-171.6	-56.8	-68.6	0	0	0	113.8	P669	P669-Y671 PolarHBondContact O-N 2.89Å
672	V	91.4	Very high	93.2	Very high	87 Å²	87	44.5 Å²	44.5	53%	0.527	26%	0.26	S	S	.	.	S	Bend	trans	-114.8	147	-169.2	-61.4	0	0	0	0	113	P669 G675	P669-V672 HydrophobicContact CB-CG2 3.44Å; P669-V672 VanDerWaalsContact CB-CG2 3.44Å; P669-V672 HydrophobicContact CG-CG2 4.07Å; V672-G675 WeakPolarHBondContact O-CA 3.46Å; V672-G675 PolarHBondContact O-N 3.41Å
673	P	87.1	Confident	93.2	Very high	116 Å²	116	47.1 Å²	47.1	75%	0.753	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	135.3	178.6	-26.4	35.6	0	0	0	113	G675	P673-G675 VanDerWaalsContact CA-N 3.33Å
674	P	86.3	Confident	93.2	Very high	102 Å²	102	47.2 Å²	47.2	66%	0.662	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	cis	-76.6	-5.2	18.9	31.9	-37.5	0	0	0	117.3	I668	I668-P674 HydrophobicContact CD1-CG 4.44Å
675	G	85.7	Confident	93.2	Very high	13 Å²	13	50.9 Å²	50.9	13%	0.134	30%	0.303	C	S	.	.			trans	-68.1	-164.2	168	0	0	0	0	0	114.3	V672 P673	V672-G675 WeakPolarHBondContact O-CA 3.46Å; V672-G675 PolarHBondContact O-N 3.41Å; P673-G675 VanDerWaalsContact CA-N 3.33Å
676	P	92.3	Very high	93.1	Very high	92 Å²	92	52.4 Å²	52.4	60%	0.597	31%	0.311	S	S	*	.			cis	-70.1	151.5	12.6	29.7	-36.7	0	0	0	113.7	D670	D670-P676 CarbonylContact O-C 3.59Å; D670-P676 WeakPolarHBondContact O-CA 3.32Å; D670-P676 WeakPolarHBondContact O-CB 3.46Å
677	D	95.5	Very high	93.1	Very high	17 Å²	17	53.6 Å²	53.6	9%	0.091	32%	0.316	C	S	.	.			trans	-70.1	132.6	172.6	-155.1	-50.1	0	0	0	110.6	I668 P669 D670 C679 N684 Q687	I668-D677 VanDerWaalsContact CB-OD2 3.31Å; I668-D677 WeakPolarHBondContact CB-OD2 3.28Å; I668-D677 HydrophobicContact CG2-CB 4.12Å; I668-D677 WeakPolarHBondContact CG2-OD2 3.49Å; P669-D677 PolarHBondContact O-N 3.46Å; D670-D677 PolarHBondContact O-N 2.9Å; D677-C679 VanDerWaalsContact OD1-C 3.28Å; D677-C679 WeakPolarHBondContact OD1-CA 3.38Å; D677-C679 PolarHBondContact OD1-N 3.13Å; D677-N684 PolarHBondContact OD1-OD1 2.72Å; D677-Q687 PolarHBondContact OD1-NE2 2.84Å; D677-Q687 PolarHBondContact OD2-NE2 3.22Å
678	N	93.2	Very high	93.1	Very high	20 Å²	20	56.8 Å²	56.8	11%	0.107	32%	0.316	C	S	.	.	S	Bend	trans	-89.5	-6.9	175.6	70.6	-4.7	0	0	0	114.6	N684 Q687 G694 V695 G696 C699	N678-N684 PolarHBondContact OD1-ND2 3.38Å; N678-Q687 PolarHBondContact ND2-O 3.44Å; N678-Q687 PolarHBondContact OD1-OE1 3.41Å; N678-Q687 VanDerWaalsContact OD1-OE1 3.1Å; N678-G694 WeakPolarHBondContact CB-O 3.34Å; N678-V695 CarbonylContact O-C 3.58Å; N678-V695 WeakPolarHBondContact O-CA 3.22Å; N678-G696 VanDerWaalsContact CG-CA 3.5Å; N678-G696 VanDerWaalsContact ND2-CA 3.34Å; N678-G696 WeakPolarHBondContact ND2-CA 3.49Å; N678-G696 PolarHBondContact O-N 3.14Å; N678-C699 PolarHBondContact O-SG 2.95Å; N678-C699 VanDerWaalsContact O-SG 3.39Å
679	C	94.4	Very high	93	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.321	C	S	.	.	S	Bend	trans	-138.7	69.1	168.9	-70.6	0	0	0	0	111	D677 L681 V682 N684 G696 C699	D677-C679 VanDerWaalsContact OD1-C 3.28Å; D677-C679 WeakPolarHBondContact OD1-CA 3.38Å; D677-C679 PolarHBondContact OD1-N 3.13Å; C679-L681 PolarHBondContact O-N 3.05Å; C679-V682 HydrophobicContact CB-CB 4.32Å; C679-V682 PolarHBondContact O-N 2.79Å; C679-N684 WeakPolarHBondContact CB-ND2 3.1Å; C679-N684 PolarHBondContact SG-ND2 3.1Å; C679-N684 VanDerWaalsContact SG-ND2 3.39Å; C679-G696 WeakPolarHBondContact SG-CA 3.15Å; C679-G696 PolarHBondContact SG-O 2.71Å; C679-C699 WeakPolarHBondContact CA-SG 3.35Å; C679-C699 HydrophobicContact CB-CB 3.75Å; C679-C699 WeakPolarHBondContact CB-SG 3.39Å; C679-C699 WeakPolarHBondContact SG-CB 3.12Å; C679-C699 PolarHBondContact SG-N 2.89Å; C679-C699 VanDerWaalsContact SG-N 3.43Å; C679-C699 CovalentContact SG-SG 2.04Å; C679-C699 PolarHBondContact SG-SG 3.49Å
680	R	94.1	Very high	92.8	Very high	36 Å²	36	60.3 Å²	60.3	14%	0.136	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.1	-38.5	-173.4	-165.5	178.1	75.7	-126.5	-4.8	115.9	D663 D664 D670 F703 E717	D663-R680 HydrophobicContact CB-CG 4.15Å; D663-R680 WeakPolarHBondContact OD2-CD 3.27Å; D663-R680 VanDerWaalsContact OD2-CG 3.22Å; D663-R680 WeakPolarHBondContact OD2-CG 3.22Å; D663-R680 IonicContact OD2-NE 2.79Å; D663-R680 PolarHBondContact OD2-NE 2.78Å; D664-R680 WeakPolarHBondContact CB-O 3.09Å; D670-R680 HydrophobicContact CB-CG 3.89Å; R680-F703 HydrophobicContact CB-CE1 4.43Å; R680-F703 HydrophobicContact CB-CZ 3.93Å; R680-E717 IonicContact CZ-OE2 3.67Å; R680-E717 IonicContact NH1-OE1 2.64Å; R680-E717 IonicContact NH1-OE2 3.73Å; R680-E717 PolarHBondContact NH1-OE2 2.89Å; R680-E717 IonicContact NH2-OE2 3.83Å; R680-E717 PolarHBondContact NH2-OE2 3.42Å
681	L	94.6	Very high	92.4	Very high	13 Å²	13	65 Å²	65	7%	0.068	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-0.5	-173.2	-49.5	178.6	0	0	0	113.1	D663 C679 F703 D704 E717	D663-L681 HydrophobicContact CB-CD2 4.14Å; C679-L681 PolarHBondContact O-N 3.05Å; L681-F703 HydrophobicContact CD1-CD1 3.82Å; L681-F703 HydrophobicContact CD1-CE1 3.77Å; L681-F703 HydrophobicContact CG-CD1 4.26Å; L681-F703 HydrophobicContact CG-CE1 3.84Å; L681-D704 HydrophobicContact CD1-CB 3.77Å; L681-E717 HydrophobicContact CD1-CB 4.11Å
682	V	94.8	Very high	92.1	Very high	12 Å²	12	60 Å²	60	7%	0.073	37%	0.365	C	S	.	.	S	Bend	trans	-134.5	109.6	-169.6	-173.9	0	0	0	0	111.3	D664 C679 N684 V698 C699 F703 N705	D664-V682 PolarHBondContact OD2-N 2.96Å; C679-V682 HydrophobicContact CB-CB 4.32Å; C679-V682 PolarHBondContact O-N 2.79Å; V682-N684 PolarHBondContact O-N 3.09Å; V682-N684 VanDerWaalsContact O-N 3.09Å; V682-V698 HydrophobicContact CG1-CG1 3.64Å; V682-C699 HydrophobicContact CB-CB 4.37Å; V682-C699 HydrophobicContact CG2-CB 4.24Å; V682-F703 WeakPolarHBondContact CG2-O 3.27Å; V682-N705 HydrophobicContact CG1-CB 4.36Å; V682-N705 HydrophobicContact CG2-CB 3.6Å
683	P	95.4	Very high	91.6	Very high	84 Å²	84	59.3 Å²	59.3	55%	0.545	36%	0.358	S	S	.	.			trans	-53.5	113.9	-169.9	-28.2	32.7	0	0	0	113.9	D664 D666	D664-P683 HydrophobicContact CB-CG 3.99Å; D664-P683 WeakPolarHBondContact OD2-CA 3.47Å; D664-P683 VanDerWaalsContact OD2-N 3.07Å; D666-P683 HydrophobicContact CB-CB 4.01Å
684	N	94.9	Very high	91.6	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.021	35%	0.348	C	S	.	.			trans	-144.4	67.4	-179.8	75.4	-18.5	0	0	0	114.3	D666 D677 N678 C679 V682 N686 Q687 V698	D666-N684 VanDerWaalsContact OD2-CA 3.29Å; D666-N684 WeakPolarHBondContact OD2-CA 3.33Å; D666-N684 PolarHBondContact OD2-N 3.27Å; D666-N684 PolarHBondContact OD2-OD1 3.24Å; D677-N684 PolarHBondContact OD1-OD1 2.72Å; N678-N684 PolarHBondContact OD1-ND2 3.38Å; C679-N684 WeakPolarHBondContact CB-ND2 3.1Å; C679-N684 PolarHBondContact SG-ND2 3.1Å; C679-N684 VanDerWaalsContact SG-ND2 3.39Å; V682-N684 PolarHBondContact O-N 3.09Å; V682-N684 VanDerWaalsContact O-N 3.09Å; N684-N686 PolarHBondContact O-N 3.49Å; N684-Q687 PolarHBondContact O-N 3.12Å; N684-Q687 PolarHBondContact OD1-NE2 3.35Å; N684-V698 HydrophobicContact CB-CB 4.49Å; N684-V698 HydrophobicContact CB-CG2 4.1Å
685	P	94.8	Very high	91.8	Very high	87 Å²	87	53.5 Å²	53.5	57%	0.565	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-7.3	-167.7	-26.1	31.3	0	0	0	116.7	D666	D666-P685 HydrophobicContact CB-CG 3.87Å; D666-P685 VanDerWaalsContact OD2-CA 3.26Å; D666-P685 WeakPolarHBondContact OD2-CA 3.07Å; D666-P685 VanDerWaalsContact OD2-CD 3.31Å; D666-P685 WeakPolarHBondContact OD2-CD 3.29Å
686	N	93.7	Very high	92.1	Very high	119 Å²	119	52.9 Å²	52.9	64%	0.636	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-7.5	177.2	64.5	35.6	0	0	0	113.9	N684 K688	N684-N686 PolarHBondContact O-N 3.49Å; N686-K688 PolarHBondContact O-N 2.02Å; N686-K688 VanDerWaalsContact O-N 3.17Å; N686-K688 WeakPolarHBondContact OD1-CB 3.27Å; N686-K688 PolarHBondContact OD1-N 3Å; N686-K688 VanDerWaalsContact OD1-N 3.09Å
687	Q	94.8	Very high	92.1	Very high	49 Å²	49	51.2 Å²	51.2	23%	0.229	31%	0.308	C	S	.	.			trans	48.3	44	177.2	-63.1	-74.1	-56.6	0	0	111.6	I668 D677 N678 N684 D689	I668-Q687 HydrophobicContact CD1-CG 4.41Å; I668-Q687 HydrophobicContact CG1-CG 3.98Å; I668-Q687 HydrophobicContact CG2-CG 4.22Å; D677-Q687 PolarHBondContact OD1-NE2 2.84Å; D677-Q687 PolarHBondContact OD2-NE2 3.22Å; N678-Q687 PolarHBondContact ND2-O 3.44Å; N678-Q687 PolarHBondContact OD1-OE1 3.41Å; N678-Q687 VanDerWaalsContact OD1-OE1 3.1Å; N684-Q687 PolarHBondContact O-N 3.12Å; N684-Q687 PolarHBondContact OD1-NE2 3.35Å; Q687-D689 PolarHBondContact O-N 2.88Å
688	K	95.3	Very high	92	Very high	114 Å²	114	54.4 Å²	54.4	50%	0.496	33%	0.329	S	S	.	.			trans	-76.4	107.7	-174.5	-175.2	175.7	175.6	-86.9	0	110.1	N686 S690 D697	N686-K688 PolarHBondContact O-N 2.02Å; N686-K688 VanDerWaalsContact O-N 3.17Å; N686-K688 WeakPolarHBondContact OD1-CB 3.27Å; N686-K688 PolarHBondContact OD1-N 3Å; N686-K688 VanDerWaalsContact OD1-N 3.09Å; K688-S690 PolarHBondContact NZ-OG 3.28Å; K688-D697 IonicContact NZ-OD2 3.99Å; K688-D697 PolarHBondContact NZ-OD2 2.73Å; K688-D697 WeakPolarHBondContact O-CB 3.35Å; K688-D697 VanDerWaalsContact O-CG 3.31Å; K688-D697 PolarHBondContact O-N 3.48Å
689	D	93.3	Very high	92	Very high	46 Å²	46	53.5 Å²	53.5	25%	0.246	32%	0.324	C	S	.	.			trans	-119.5	110.1	170.5	170.6	2.2	0	0	0	108.6	Q687 D691 G692 N693 G694	Q687-D689 PolarHBondContact O-N 2.88Å; D689-D691 PolarHBondContact OD1-N 3.04Å; D689-D691 VanDerWaalsContact OD1-N 3.16Å; D689-D691 VanDerWaalsContact OD1-OD1 3.1Å; D689-G692 WeakPolarHBondContact OD1-CA 3.16Å; D689-G692 PolarHBondContact OD1-N 3.35Å; D689-G692 VanDerWaalsContact OD2-C 3.29Å; D689-G692 WeakPolarHBondContact OD2-CA 3.41Å; D689-N693 PolarHBondContact OD2-N 3.36Å; D689-G694 PolarHBondContact OD2-N 3.48Å; D689-G694 VanDerWaalsContact OD2-N 3.09Å
690	S	91.4	Very high	91.7	Very high	84 Å²	84	55.7 Å²	55.7	59%	0.587	33%	0.334	S	S	*	.	S	Bend	trans	-83.5	-24.1	-175	-66.1	0	0	0	0	113.8	K688 D697	K688-S690 PolarHBondContact NZ-OG 3.28Å; S690-D697 VanDerWaalsContact CB-OD1 3.29Å; S690-D697 WeakPolarHBondContact CB-OD1 3.2Å; S690-D697 PolarHBondContact N-OD1 3.28Å; S690-D697 PolarHBondContact OG-OD1 3.02Å; S690-D697 PolarHBondContact OG-OD2 3.42Å
691	D	85.1	Confident	91.4	Very high	104 Å²	104	58 Å²	58	56%	0.556	35%	0.349	S	S	*	.	S	Bend	trans	-107	-12.4	-175	79.1	-2.9	0	0	0	113.5	D689 N693	D689-D691 PolarHBondContact OD1-N 3.04Å; D689-D691 VanDerWaalsContact OD1-N 3.16Å; D689-D691 VanDerWaalsContact OD1-OD1 3.1Å; D691-N693 VanDerWaalsContact OD1-CB 3.28Å; D691-N693 WeakPolarHBondContact OD1-CB 3.15Å; D691-N693 PolarHBondContact OD1-N 3.42Å; D691-N693 PolarHBondContact OD1-ND2 3.09Å; D691-N693 VanDerWaalsContact OD1-ND2 3.12Å; D691-N693 PolarHBondContact OD2-ND2 3.43Å
692	G	85.6	Confident	91.3	Very high	61 Å²	61	58.7 Å²	58.7	63%	0.629	35%	0.353	S	S	*	.			trans	76.9	23.6	174.6	0	0	0	0	0	113.4	D689 G694	D689-G692 WeakPolarHBondContact OD1-CA 3.16Å; D689-G692 PolarHBondContact OD1-N 3.35Å; D689-G692 VanDerWaalsContact OD2-C 3.29Å; D689-G692 WeakPolarHBondContact OD2-CA 3.41Å; G692-G694 VanDerWaalsContact C-N 3.32Å
693	N	82.4	Confident	91.2	Very high	73 Å²	73	59.2 Å²	59.2	39%	0.39	35%	0.354	S	S	.	.	S	Bend	trans	-82.4	-10	-177	75.3	21.5	0	0	0	113.4	D689 D691 V695 E700	D689-N693 PolarHBondContact OD2-N 3.36Å; D691-N693 VanDerWaalsContact OD1-CB 3.28Å; D691-N693 WeakPolarHBondContact OD1-CB 3.15Å; D691-N693 PolarHBondContact OD1-N 3.42Å; D691-N693 PolarHBondContact OD1-ND2 3.09Å; D691-N693 VanDerWaalsContact OD1-ND2 3.12Å; D691-N693 PolarHBondContact OD2-ND2 3.43Å; N693-V695 WeakPolarHBondContact OD1-CA 3.26Å; N693-V695 WeakPolarHBondContact OD1-CB 3.5Å; N693-V695 PolarHBondContact OD1-N 3.3Å; N693-V695 PolarHBondContact OD1-O 3.43Å; N693-E700 PolarHBondContact ND2-OE1 3.39Å; N693-E700 PolarHBondContact ND2-OE2 2.04Å
694	G	86.3	Confident	91.1	Very high	52 Å²	52	55.7 Å²	55.7	54%	0.536	33%	0.331	S	S	.	.	S	Bend	trans	95	-4	179.1	0	0	0	0	0	114.9	N678 D689 G692	N678-G694 WeakPolarHBondContact CB-O 3.34Å; D689-G694 PolarHBondContact OD2-N 3.48Å; D689-G694 VanDerWaalsContact OD2-N 3.09Å; G692-G694 VanDerWaalsContact C-N 3.32Å
695	V	90.2	Very high	91.1	Very high	44 Å²	44	60.6 Å²	60.6	27%	0.267	36%	0.357	S	S	.	.	S	Bend	trans	-102.8	141.7	168.5	-175.6	0	0	0	0	108	N678 N693	N678-V695 CarbonylContact O-C 3.58Å; N678-V695 WeakPolarHBondContact O-CA 3.22Å; N693-V695 WeakPolarHBondContact OD1-CA 3.26Å; N693-V695 WeakPolarHBondContact OD1-CB 3.5Å; N693-V695 PolarHBondContact OD1-N 3.3Å; N693-V695 PolarHBondContact OD1-O 3.43Å
696	G	92.3	Very high	91	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	34%	0.338	C	S	.	.			trans	-77.9	148.9	-179.4	0	0	0	0	0	112.6	N678 C679 V698 C699 E700	N678-G696 VanDerWaalsContact CG-CA 3.5Å; N678-G696 VanDerWaalsContact ND2-CA 3.34Å; N678-G696 WeakPolarHBondContact ND2-CA 3.49Å; N678-G696 PolarHBondContact O-N 3.14Å; C679-G696 WeakPolarHBondContact SG-CA 3.15Å; C679-G696 PolarHBondContact SG-O 2.71Å; G696-V698 PolarHBondContact O-N 3.16Å; G696-C699 PolarHBondContact O-N 2.73Å; G696-C699 VanDerWaalsContact O-N 3.09Å; G696-E700 PolarHBondContact O-N 3Å
697	D	92.2	Very high	91	Very high	56 Å²	56	56.5 Å²	56.5	30%	0.299	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-20.8	-178.1	-72.9	-12	0	0	0	113.8	K688 S690	K688-D697 IonicContact NZ-OD2 3.99Å; K688-D697 PolarHBondContact NZ-OD2 2.73Å; K688-D697 WeakPolarHBondContact O-CB 3.35Å; K688-D697 VanDerWaalsContact O-CG 3.31Å; K688-D697 PolarHBondContact O-N 3.48Å; S690-D697 VanDerWaalsContact CB-OD1 3.29Å; S690-D697 WeakPolarHBondContact CB-OD1 3.2Å; S690-D697 PolarHBondContact N-OD1 3.28Å; S690-D697 PolarHBondContact OG-OD1 3.02Å; S690-D697 PolarHBondContact OG-OD2 3.42Å
698	V	93.6	Very high	90.9	Very high	85 Å²	85	55.8 Å²	55.8	52%	0.515	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-35.5	-175.8	-176.5	0	0	0	0	111.4	V682 N684 G696	V682-V698 HydrophobicContact CG1-CG1 3.64Å; N684-V698 HydrophobicContact CB-CB 4.49Å; N684-V698 HydrophobicContact CB-CG2 4.1Å; G696-V698 PolarHBondContact O-N 3.16Å
699	C	92.6	Very high	90.7	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.007	34%	0.336	C	S	.	.	S	Bend	trans	-115.3	18.6	-173.3	64.7	0	0	0	0	112.7	N678 C679 V682 G696 D701 D702	N678-C699 PolarHBondContact O-SG 2.95Å; N678-C699 VanDerWaalsContact O-SG 3.39Å; C679-C699 WeakPolarHBondContact CA-SG 3.35Å; C679-C699 HydrophobicContact CB-CB 3.75Å; C679-C699 WeakPolarHBondContact CB-SG 3.39Å; C679-C699 WeakPolarHBondContact SG-CB 3.12Å; C679-C699 PolarHBondContact SG-N 2.89Å; C679-C699 VanDerWaalsContact SG-N 3.43Å; C679-C699 CovalentContact SG-SG 2.04Å; C679-C699 PolarHBondContact SG-SG 3.49Å; V682-C699 HydrophobicContact CB-CB 4.37Å; V682-C699 HydrophobicContact CG2-CB 4.24Å; G696-C699 PolarHBondContact O-N 2.73Å; G696-C699 VanDerWaalsContact O-N 3.09Å; C699-D701 PolarHBondContact O-N 2.9Å; C699-D702 CarbonylContact C-O 3.56Å; C699-D702 WeakPolarHBondContact CA-O 3.23Å; C699-D702 CarbonylContact O-C 3.58Å
700	E	89.3	Confident	90.4	Very high	45 Å²	45	52 Å²	52	21%	0.21	33%	0.329	C	S	.	.	S	Bend	trans	-62.1	-37.8	-170.8	-177.4	71.4	-152.6	0	0	115	N693 G696	N693-E700 PolarHBondContact ND2-OE1 3.39Å; N693-E700 PolarHBondContact ND2-OE2 2.04Å; G696-E700 PolarHBondContact O-N 3Å
701	D	87.8	Confident	90.1	Very high	86 Å²	86	51.2 Å²	51.2	46%	0.46	32%	0.322	S	S	.	.	S	Bend	trans	-109.9	-9.3	-174.7	-71	-44.3	0	0	0	112.3	K67 C699 V709 D710	K67-D701 IonicContact NZ-OD2 3.24Å; K67-D701 PolarHBondContact NZ-OD2 3.25Å; C699-D701 PolarHBondContact O-N 2.9Å; D701-V709 WeakPolarHBondContact O-CA 3.41Å; D701-D710 PolarHBondContact O-N 3.48Å
702	D	92.4	Very high	90.2	Very high	27 Å²	27	52.2 Å²	52.2	14%	0.144	33%	0.326	C	S	.	.			trans	-160.1	95.5	-166.4	175	-4.2	0	0	0	106.6	C699 N705 D706 A707 V708 D710	C699-D702 CarbonylContact C-O 3.56Å; C699-D702 WeakPolarHBondContact CA-O 3.23Å; C699-D702 CarbonylContact O-C 3.58Å; D702-N705 WeakPolarHBondContact OD1-CA 3.45Å; D702-N705 PolarHBondContact OD1-N 3.09Å; D702-D706 PolarHBondContact OD1-N 3.43Å; D702-A707 VanDerWaalsContact OD2-CA 3.3Å; D702-A707 WeakPolarHBondContact OD2-CA 3.22Å; D702-A707 PolarHBondContact OD2-N 3.5Å; D702-A707 VanDerWaalsContact OD2-N 3.08Å; D702-V708 VanDerWaalsContact CG-O 3.26Å; D702-D710 VanDerWaalsContact CA-OD1 3.3Å; D702-D710 WeakPolarHBondContact CA-OD1 3.41Å
703	F	92.8	Very high	90.5	Very high	23 Å²	23	49.6 Å²	49.6	10%	0.101	30%	0.298	C	S	.	.	S	Bend	trans	-77.8	-31.6	-165.3	-176.8	-93.4	0	0	0	114	R680 L681 V682 D710 P716 E717	R680-F703 HydrophobicContact CB-CE1 4.43Å; R680-F703 HydrophobicContact CB-CZ 3.93Å; L681-F703 HydrophobicContact CD1-CD1 3.82Å; L681-F703 HydrophobicContact CD1-CE1 3.77Å; L681-F703 HydrophobicContact CG-CD1 4.26Å; L681-F703 HydrophobicContact CG-CE1 3.84Å; V682-F703 WeakPolarHBondContact CG2-O 3.27Å; F703-D710 PolarHBondContact N-OD1 3.39Å; F703-P716 WeakPolarHBondContact CB-O 3.06Å; F703-P716 VanDerWaalsContact CD1-O 3.27Å; F703-P716 WeakPolarHBondContact CD1-O 3.4Å; F703-E717 HydrophobicContact CD1-CG 3.9Å; F703-E717 HydrophobicContact CE1-CG 3.94Å
704	D	93	Very high	91.1	Very high	9 Å²	9	47.1 Å²	47.1	5%	0.048	29%	0.286	C	S	.	.	S	Bend	trans	-102.7	-1.7	177.4	56.2	23.9	0	0	0	113.4	L681 D706 C715 E717 S718 A719	L681-D704 HydrophobicContact CD1-CB 3.77Å; D704-D706 VanDerWaalsContact C-N 3.33Å; D704-D706 PolarHBondContact O-N 2.84Å; D704-D706 WeakPolarHBondContact OD1-CB 2.85Å; D704-D706 VanDerWaalsContact OD1-CG 3.23Å; D704-D706 PolarHBondContact OD1-N 3.39Å; D704-C715 VanDerWaalsContact OD2-O 3.13Å; D704-E717 PolarHBondContact OD2-N 2.97Å; D704-S718 PolarHBondContact OD2-N 3.12Å; D704-A719 HydrophobicContact CB-CB 4.16Å
705	N	93.8	Very high	91.5	Very high	108 Å²	108	44.7 Å²	44.7	58%	0.578	26%	0.26	S	S	*	.			trans	62.1	37.7	174.1	178	69.3	0	0	0	113.1	V682 D702 A707	V682-N705 HydrophobicContact CG1-CB 4.36Å; V682-N705 HydrophobicContact CG2-CB 3.6Å; D702-N705 WeakPolarHBondContact OD1-CA 3.45Å; D702-N705 PolarHBondContact OD1-N 3.09Å; N705-A707 VanDerWaalsContact C-N 3.33Å
706	D	93.3	Very high	91.6	Very high	29 Å²	29	42.9 Å²	42.9	16%	0.155	25%	0.25	C	C	.	.	S	Bend	trans	-87.7	0.5	176.4	80.3	0.9	0	0	0	114.1	D702 D704 V708 A719 T722	D702-D706 PolarHBondContact OD1-N 3.43Å; D704-D706 VanDerWaalsContact C-N 3.33Å; D704-D706 PolarHBondContact O-N 2.84Å; D704-D706 WeakPolarHBondContact OD1-CB 2.85Å; D704-D706 VanDerWaalsContact OD1-CG 3.23Å; D704-D706 PolarHBondContact OD1-N 3.39Å; D706-V708 VanDerWaalsContact C-N 3.31Å; D706-V708 WeakPolarHBondContact OD1-CA 3.47Å; D706-V708 VanDerWaalsContact OD1-CB 3.29Å; D706-V708 WeakPolarHBondContact OD1-CB 3.44Å; D706-V708 PolarHBondContact OD1-N 2.04Å; D706-A719 HydrophobicContact CB-CB 4.18Å; D706-T722 HydrophobicContact CB-CG2 4.34Å; D706-T722 WeakPolarHBondContact OD2-CG2 3.17Å
707	A	93.6	Very high	91.6	Very high	90 Å²	90	45.7 Å²	45.7	74%	0.744	26%	0.263	S	S	*	.	S	Bend	trans	75.5	5.3	-177.3	0	0	0	0	0	116	D702 N705	D702-A707 VanDerWaalsContact OD2-CA 3.3Å; D702-A707 WeakPolarHBondContact OD2-CA 3.22Å; D702-A707 PolarHBondContact OD2-N 3.5Å; D702-A707 VanDerWaalsContact OD2-N 3.08Å; N705-A707 VanDerWaalsContact C-N 3.33Å
708	V	93.1	Very high	91.6	Very high	34 Å²	34	43.3 Å²	43.3	21%	0.206	25%	0.251	C	S	.	.	S	Bend	trans	-99.2	142.2	166.5	-173.3	0	0	0	0	108.3	D702 D706 L712 D713 T722	D702-V708 VanDerWaalsContact CG-O 3.26Å; D706-V708 VanDerWaalsContact C-N 3.31Å; D706-V708 WeakPolarHBondContact OD1-CA 3.47Å; D706-V708 VanDerWaalsContact OD1-CB 3.29Å; D706-V708 WeakPolarHBondContact OD1-CB 3.44Å; D706-V708 PolarHBondContact OD1-N 2.04Å; V708-L712 HydrophobicContact CG1-CB 4.21Å; V708-D713 HydrophobicContact CB-CB 4.32Å; V708-D713 HydrophobicContact CG1-CB 3.83Å; V708-T722 HydrophobicContact CB-CG2 4.34Å; V708-T722 HydrophobicContact CG2-CG2 3.61Å
709	V	90.6	Very high	91.5	Very high	62 Å²	62	42 Å²	42	38%	0.376	25%	0.248	S	C	.	.			trans	-86.2	141.9	-177.2	-67.7	0	0	0	0	109.8	D701 P711 L712 D713	D701-V709 WeakPolarHBondContact O-CA 3.41Å; V709-P711 VanDerWaalsContact C-N 3.27Å; V709-P711 WeakPolarHBondContact O-CD 3.49Å; V709-L712 HydrophobicContact CG2-CB 4Å; V709-L712 HydrophobicContact CG2-CD1 3.8Å; V709-L712 HydrophobicContact CG2-CG 3.85Å; V709-L712 PolarHBondContact O-N 3.1Å; V709-D713 PolarHBondContact O-N 2.86Å
710	D	88.2	Confident	91.4	Very high	20 Å²	20	49.4 Å²	49.4	11%	0.107	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.2	-38.7	-175.8	-59.3	1	0	0	0	115.5	D701 D702 F703 L712 P716	D701-D710 PolarHBondContact O-N 3.48Å; D702-D710 VanDerWaalsContact CA-OD1 3.3Å; D702-D710 WeakPolarHBondContact CA-OD1 3.41Å; F703-D710 PolarHBondContact N-OD1 3.39Å; D710-L712 VanDerWaalsContact C-N 3.29Å; D710-L712 PolarHBondContact O-N 2.72Å; D710-P716 HydrophobicContact CB-CB 4.14Å; D710-P716 HydrophobicContact CB-CG 4.33Å
711	P	84.4	Confident	91.6	Very high	67 Å²	67	47.9 Å²	47.9	44%	0.435	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-17.8	-179.5	-18.8	34.2	0	0	0	114.6	V709	V709-P711 VanDerWaalsContact C-N 3.27Å; V709-P711 WeakPolarHBondContact O-CD 3.49Å
712	L	86.8	Confident	91.9	Very high	124 Å²	124	46 Å²	46	65%	0.649	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-16.6	175.9	-64	-178.9	0	0	0	112	V708 V709 D710	V708-L712 HydrophobicContact CG1-CB 4.21Å; V709-L712 HydrophobicContact CG2-CB 4Å; V709-L712 HydrophobicContact CG2-CD1 3.8Å; V709-L712 HydrophobicContact CG2-CG 3.85Å; V709-L712 PolarHBondContact O-N 3.1Å; D710-L712 VanDerWaalsContact C-N 3.29Å; D710-L712 PolarHBondContact O-N 2.72Å
713	D	92.8	Very high	92	Very high	6 Å²	6	49.4 Å²	49.4	3%	0.032	29%	0.286	C	S	.	.			trans	-80.3	131	178.2	-173	2.2	0	0	0	111.3	V708 V709 C715 P716 T722	V708-D713 HydrophobicContact CB-CB 4.32Å; V708-D713 HydrophobicContact CG1-CB 3.83Å; V709-D713 PolarHBondContact O-N 2.86Å; D713-C715 PolarHBondContact OD1-N 3.34Å; D713-P716 HydrophobicContact CB-CG 4.17Å; D713-P716 WeakPolarHBondContact OD2-CA 3.05Å; D713-T722 WeakPolarHBondContact OD1-CA 2.9Å
714	V	93.4	Very high	92.1	Very high	22 Å²	22	48.8 Å²	48.8	13%	0.133	28%	0.284	C	S	.	.	S	Bend	trans	-73.7	-30.7	177.7	161.2	0	0	0	0	111.4	T722 Y934 R935 C936	V714-T722 PolarHBondContact N-O 3.09Å; V714-Y934 HydrophobicContact CG1-CD2 3.37Å; V714-Y934 HydrophobicContact CG1-CE2 3.54Å; V714-Y934 WeakPolarHBondContact CG1-O 2.99Å; V714-R935 WeakPolarHBondContact O-CA 3.02Å; V714-R935 WeakPolarHBondContact O-CG 3.43Å; V714-C936 PolarHBondContact O-N 3.05Å; V714-C936 VanDerWaalsContact O-N 3.08Å
715	C	94.7	Very high	92.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.295	C	S	.	.			trans	-137.2	77.6	177.8	-65.8	0	0	0	0	111.7	D704 D713 E717 S718 V721 C936	D704-C715 VanDerWaalsContact OD2-O 3.13Å; D713-C715 PolarHBondContact OD1-N 3.34Å; C715-E717 PolarHBondContact O-N 3.42Å; C715-S718 PolarHBondContact O-N 3.37Å; C715-V721 HydrophobicContact CB-CB 3.99Å; C715-V721 HydrophobicContact CB-CG1 4.19Å; C715-V721 WeakPolarHBondContact CB-O 3.09Å; C715-C936 HydrophobicContact CB-CB 3.63Å; C715-C936 WeakPolarHBondContact CB-SG 3.22Å; C715-C936 WeakPolarHBondContact SG-CB 3.36Å; C715-C936 PolarHBondContact SG-N 3.44Å; C715-C936 VanDerWaalsContact SG-N 3.43Å; C715-C936 CovalentContact SG-SG 2.03Å; C715-C936 PolarHBondContact SG-SG 3.13Å
716	P	92.9	Very high	92.3	Very high	7 Å²	7	45.9 Å²	45.9	5%	0.045	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	13	-178	-19.5	31.9	0	0	0	116.9	F703 D710 D713	F703-P716 WeakPolarHBondContact CB-O 3.06Å; F703-P716 VanDerWaalsContact CD1-O 3.27Å; F703-P716 WeakPolarHBondContact CD1-O 3.4Å; D710-P716 HydrophobicContact CB-CB 4.14Å; D710-P716 HydrophobicContact CB-CG 4.33Å; D713-P716 HydrophobicContact CB-CG 4.17Å; D713-P716 WeakPolarHBondContact OD2-CA 3.05Å
717	E	91.9	Very high	92.2	Very high	58 Å²	58	51.6 Å²	51.6	27%	0.271	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	24.3	174.3	-59.9	-167.2	-175.2	0	0	110	R436 R680 L681 F703 D704 C715	R436-E717 IonicContact CZ-OE1 2.74Å; R436-E717 IonicContact NH1-OE1 3.23Å; R436-E717 PolarHBondContact NH1-OE1 3.24Å; R436-E717 IonicContact NH2-OE1 3.26Å; R436-E717 PolarHBondContact NH2-OE1 3.22Å; R680-E717 IonicContact CZ-OE2 3.67Å; R680-E717 IonicContact NH1-OE1 2.64Å; R680-E717 IonicContact NH1-OE2 3.73Å; R680-E717 PolarHBondContact NH1-OE2 2.89Å; R680-E717 IonicContact NH2-OE2 3.83Å; R680-E717 PolarHBondContact NH2-OE2 3.42Å; L681-E717 HydrophobicContact CD1-CB 4.11Å; F703-E717 HydrophobicContact CD1-CG 3.9Å; F703-E717 HydrophobicContact CE1-CG 3.94Å; D704-E717 PolarHBondContact OD2-N 2.97Å; C715-E717 PolarHBondContact O-N 3.42Å
718	S	93.1	Very high	92	Very high	7 Å²	7	50.2 Å²	50.2	5%	0.049	28%	0.277	C	S	.	.			trans	-149.6	100.5	-174.7	-179	0	0	0	0	110.1	L648 D704 C715 E720 V721	L648-S718 VanDerWaalsContact CD2-OG 3.26Å; L648-S718 WeakPolarHBondContact CD2-OG 3.23Å; D704-S718 PolarHBondContact OD2-N 3.12Å; C715-S718 PolarHBondContact O-N 3.37Å; S718-E720 PolarHBondContact O-N 2.98Å; S718-V721 PolarHBondContact O-N 3.02Å
719	A	91.6	Very high	92	Very high	56 Å²	56	51.6 Å²	51.6	46%	0.463	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-10.9	-177.8	0	0	0	0	0	114.7	D704 D706	D704-A719 HydrophobicContact CB-CB 4.16Å; D706-A719 HydrophobicContact CB-CB 4.18Å
720	E	90.9	Very high	92.2	Very high	158 Å²	158	49.6 Å²	49.6	74%	0.738	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-21.4	178.5	-56.9	-167.7	161.6	0	0	113	S718	S718-E720 PolarHBondContact O-N 2.98Å
721	V	93.6	Very high	92.4	Very high	13 Å²	13	51.8 Å²	51.8	8%	0.079	28%	0.28	C	S	.	.			trans	-125	82.9	-165.9	-170.3	0	0	0	0	112.3	C715 S718 T770 F772 Y934	C715-V721 HydrophobicContact CB-CB 3.99Å; C715-V721 HydrophobicContact CB-CG1 4.19Å; C715-V721 WeakPolarHBondContact CB-O 3.09Å; S718-V721 PolarHBondContact O-N 3.02Å; V721-T770 HydrophobicContact CB-CG2 4.36Å; V721-T770 HydrophobicContact CG1-CG2 3.95Å; V721-T770 HydrophobicContact CG2-CG2 3.38Å; V721-F772 HydrophobicContact CG1-CE1 4.49Å; V721-Y934 HydrophobicContact CG1-CE2 3.87Å
722	T	93.4	Very high	92.8	Very high	46 Å²	46	48.7 Å²	48.7	28%	0.282	26%	0.259	S	S	.	.			trans	-79.7	-37.5	-177.4	54.7	0	0	0	0	115.4	D706 V708 D713 V714	D706-T722 HydrophobicContact CB-CG2 4.34Å; D706-T722 WeakPolarHBondContact OD2-CG2 3.17Å; V708-T722 HydrophobicContact CB-CG2 4.34Å; V708-T722 HydrophobicContact CG2-CG2 3.61Å; D713-T722 WeakPolarHBondContact OD1-CA 2.9Å; V714-T722 PolarHBondContact N-O 3.09Å
723	L	94.3	Very high	93.1	Very high	98 Å²	98	44.7 Å²	44.7	51%	0.513	24%	0.24	S	C	.	.	S	Bend	trans	-146.1	163.2	-166.1	-69.6	164.5	0	0	0	110.4	D725 Y934	L723-D725 PolarHBondContact O-N 3.11Å; L723-Y934 PolarHBondContact O-OH 3.38Å
724	T	95.3	Very high	93	Very high	10 Å²	10	44.4 Å²	44.4	6%	0.061	24%	0.239	C	C	.	.			trans	-73.2	118	168.6	-63.2	0	0	0	0	110.3	F726 M753 L932 Y934	T724-F726 HydrophobicContact CG2-CD2 4.15Å; T724-F726 HydrophobicContact CG2-CE2 3.98Å; T724-M753 HydrophobicContact CG2-CG 4.14Å; T724-M753 WeakPolarHBondContact O-CG 3.32Å; T724-L932 HydrophobicContact CG2-CB 4.33Å; T724-L932 WeakPolarHBondContact CG2-O 3.3Å; T724-Y934 VanDerWaalsContact CA-CZ 3.5Å; T724-Y934 WeakPolarHBondContact CA-OH 3.38Å; T724-Y934 HydrophobicContact CG2-CD1 3.73Å; T724-Y934 HydrophobicContact CG2-CE1 3.61Å; T724-Y934 HydrophobicContact CG2-CG 4.44Å; T724-Y934 PolarHBondContact OG1-N 2.71Å
725	D	95.4	Very high	92.8	Very high	53 Å²	53	43.5 Å²	43.5	28%	0.283	23%	0.233	S	C	.	.			trans	-146.5	114.3	-177.7	-168.9	-6.7	0	0	0	111.9	L723 R727 Y934	L723-D725 PolarHBondContact O-N 3.11Å; D725-R727 VanDerWaalsContact OD1-CB 3.22Å; D725-R727 WeakPolarHBondContact OD1-CB 3.02Å; D725-R727 VanDerWaalsContact OD1-CG 3.23Å; D725-R727 WeakPolarHBondContact OD1-CG 3.48Å; D725-R727 PolarHBondContact OD1-N 2.63Å; D725-R727 IonicContact OD1-NE 3.99Å; D725-R727 PolarHBondContact OD1-NE 2.96Å; D725-R727 IonicContact OD2-CZ 3.81Å; D725-R727 VanDerWaalsContact OD2-CZ 3.26Å; D725-R727 IonicContact OD2-NE 2.75Å; D725-R727 PolarHBondContact OD2-NE 3.12Å; D725-R727 IonicContact OD2-NH2 3.84Å; D725-R727 PolarHBondContact OD2-NH2 2.81Å; D725-Y934 PolarHBondContact N-OH 3.3Å
726	F	95.4	Very high	92.3	Very high	3 Å²	3	47.6 Å²	47.6	1%	0.013	26%	0.259	C	S	.	.			trans	-109.3	19.5	172.3	-70.6	-90.3	0	0	0	113.2	T724 A728 Y729 G752 I755 F777 L917 L932 Y934	T724-F726 HydrophobicContact CG2-CD2 4.15Å; T724-F726 HydrophobicContact CG2-CE2 3.98Å; F726-A728 VanDerWaalsContact C-N 3.31Å; F726-A728 PolarHBondContact O-N 3.17Å; F726-Y729 WeakPolarHBondContact O-CD1 3.07Å; F726-G752 WeakPolarHBondContact CB-O 3.45Å; F726-G752 WeakPolarHBondContact CD2-O 3.09Å; F726-G752 PolarHBondContact N-O 3.02Å; F726-I755 HydrophobicContact CB-CD1 3.83Å; F726-I755 HydrophobicContact CB-CG1 4.42Å; F726-I755 HydrophobicContact CD1-CD1 4.39Å; F726-I755 HydrophobicContact CG-CD1 4.11Å; F726-F777 HydrophobicContact CE2-CE2 4.25Å; F726-F777 HydrophobicContact CZ-CE2 4.16Å; F726-F777 HydrophobicContact CZ-CZ 4.23Å; F726-L917 HydrophobicContact CE1-CB 4.26Å; F726-L917 HydrophobicContact CZ-CB 4.07Å; F726-L932 HydrophobicContact CD2-CD1 3.91Å; F726-L932 HydrophobicContact CE2-CB 4.38Å; F726-L932 HydrophobicContact CE2-CD1 4.13Å; F726-Y934 HydrophobicContact CD2-CE1 4.35Å; F726-Y934 AromaticContact CE2-CD1 3.75Å; F726-Y934 HydrophobicContact CE2-CD1 3.75Å; F726-Y934 AromaticContact CE2-CE1 3.66Å; F726-Y934 HydrophobicContact CE2-CE1 3.66Å; F726-Y934 AromaticContact CZ-CD1 3.94Å; F726-Y934 HydrophobicContact CZ-CD1 3.94Å; F726-Y934 AromaticContact CZ-CE1 3.96Å; F726-Y934 HydrophobicContact CZ-CE1 3.96Å
727	R	90.6	Very high	91.4	Very high	149 Å²	149	55.2 Å²	55.2	56%	0.562	29%	0.294	S	S	*	.	S	Bend	trans	-62.8	-39.7	176.1	-71	177.6	-69.3	171.3	0.5	112.2	D725 Y729 V748 Q751	D725-R727 VanDerWaalsContact OD1-CB 3.22Å; D725-R727 WeakPolarHBondContact OD1-CB 3.02Å; D725-R727 VanDerWaalsContact OD1-CG 3.23Å; D725-R727 WeakPolarHBondContact OD1-CG 3.48Å; D725-R727 PolarHBondContact OD1-N 2.63Å; D725-R727 IonicContact OD1-NE 3.99Å; D725-R727 PolarHBondContact OD1-NE 2.96Å; D725-R727 IonicContact OD2-CZ 3.81Å; D725-R727 VanDerWaalsContact OD2-CZ 3.26Å; D725-R727 IonicContact OD2-NE 2.75Å; D725-R727 PolarHBondContact OD2-NE 3.12Å; D725-R727 IonicContact OD2-NH2 3.84Å; D725-R727 PolarHBondContact OD2-NH2 2.81Å; R727-Y729 WeakPolarHBondContact O-CD1 3.48Å; R727-V748 HydrophobicContact CG-CG1 4.04Å; R727-Q751 PolarHBondContact NE-O 2.83Å
728	A	90.1	Very high	90.1	Very high	62 Å²	62	52.5 Å²	52.5	51%	0.512	28%	0.282	S	S	.	.	S	Bend	trans	-94.4	116.2	169.9	0	0	0	0	0	109.1	F726 Y769	F726-A728 VanDerWaalsContact C-N 3.31Å; F726-A728 PolarHBondContact O-N 3.17Å; A728-Y769 HydrophobicContact CB-CD2 3.85Å; A728-Y769 HydrophobicContact CB-CE2 4.07Å; A728-Y769 WeakPolarHBondContact O-CD2 3.43Å
729	Y	93.3	Very high	88.6	Confident	62 Å²	62	58.6 Å²	58.6	24%	0.243	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	150	179.6	63.3	-84.6	0	0	0	111.4	F726 R727 T731 W746 V748 A766 V767	F726-Y729 WeakPolarHBondContact O-CD1 3.07Å; R727-Y729 WeakPolarHBondContact O-CD1 3.48Å; Y729-T731 WeakPolarHBondContact CE2-OG1 3.34Å; Y729-W746 HydrophobicContact CE2-CB 4.02Å; Y729-W746 AromaticContact CE2-CD1 3.79Å; Y729-W746 HydrophobicContact CE2-CG 4.08Å; Y729-V748 HydrophobicContact CD1-CG2 4.08Å; Y729-V748 HydrophobicContact CE1-CG2 3.64Å; Y729-A766 HydrophobicContact CD2-CB 3.73Å; Y729-A766 HydrophobicContact CE2-CB 4.22Å; Y729-A766 HydrophobicContact CG-CB 4.36Å; Y729-V767 CarbonylContact C-O 3.25Å; Y729-V767 VanDerWaalsContact CA-O 3.25Å; Y729-V767 WeakPolarHBondContact CA-O 3.16Å; Y729-V767 WeakPolarHBondContact CB-O 3.38Å
730	Q	93.7	Very high	87.1	Confident	20 Å²	20	58.3 Å²	58.3	9%	0.093	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	128.5	168.4	-174.4	-177.2	6.1	0	0	109.1	S614 V732 A766 V767 Y769 R916	S614-Q730 PolarHBondContact O-NE2 2.91Å; Q730-V732 HydrophobicContact CG-CG2 3.96Å; Q730-A766 WeakPolarHBondContact O-CA 3.49Å; Q730-V767 PolarHBondContact N-O 2.77Å; Q730-V767 PolarHBondContact O-N 3.17Å; Q730-Y769 HydrophobicContact CB-CE1 4.23Å; Q730-R916 VanDerWaalsContact OE1-CZ 3.27Å
731	T	92.3	Very high	86	Confident	67 Å²	67	57.9 Å²	57.9	41%	0.411	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	122.8	168.6	-60.9	0	0	0	0	109.1	Y729 P744 L765	Y729-T731 WeakPolarHBondContact CE2-OG1 3.34Å; T731-P744 HydrophobicContact CG2-CG 4.49Å; T731-L765 WeakPolarHBondContact CA-O 3.49Å
732	V	94.1	Very high	85.5	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.006	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.7	179.3	-175.3	0	0	0	0	109.2	Q730 L734 G764 L765 V767 Y798	Q730-V732 HydrophobicContact CG-CG2 3.96Å; V732-L734 HydrophobicContact CG1-CD2 4.21Å; V732-G764 WeakPolarHBondContact O-CA 3.31Å; V732-L765 HydrophobicContact CB-CB 4.01Å; V732-L765 HydrophobicContact CB-CD1 4.06Å; V732-L765 HydrophobicContact CB-CG 4.14Å; V732-L765 HydrophobicContact CG1-CD1 4.24Å; V732-L765 PolarHBondContact N-O 3.09Å; V732-L765 PolarHBondContact O-N 3.18Å; V732-V767 HydrophobicContact CG2-CG2 4.25Å; V732-Y798 HydrophobicContact CG2-CE2 4.44Å; V732-Y798 WeakPolarHBondContact CG2-OH 3.38Å
733	V	91.7	Very high	85.1	Confident	41 Å²	41	63 Å²	63	25%	0.248	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	120.3	178.6	-178.6	0	0	0	0	109.1
734	L	91.9	Very high	84.9	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.313	C	S	.	.	S	Bend	trans	-92.1	-7.5	-173.6	-63.2	174.6	0	0	0	114	V732 P763 L765 F804 G842 L845 L849 F920	V732-L734 HydrophobicContact CG1-CD2 4.21Å; L734-P763 HydrophobicContact CB-CB 4.09Å; L734-P763 HydrophobicContact CB-CG 4.08Å; L734-P763 WeakPolarHBondContact CB-O 3.17Å; L734-P763 HydrophobicContact CD1-CB 4.43Å; L734-P763 PolarHBondContact N-O 2.62Å; L734-L765 HydrophobicContact CD1-CD1 4.26Å; L734-L765 HydrophobicContact CD1-CD2 3.61Å; L734-L765 HydrophobicContact CD1-CG 3.93Å; L734-L765 HydrophobicContact CD2-CD1 4.15Å; L734-L765 HydrophobicContact CD2-CG 4.43Å; L734-L765 HydrophobicContact CG-CD1 4.42Å; L734-L765 HydrophobicContact CG-CD2 4.39Å; L734-L765 HydrophobicContact CG-CG 4.17Å; L734-F804 HydrophobicContact CD1-CZ 4.21Å; L734-F804 HydrophobicContact CD2-CE1 4.41Å; L734-F804 HydrophobicContact CD2-CZ 4.45Å; L734-G842 PolarHBondContact O-N 3.45Å; L734-L845 HydrophobicContact CD2-CD2 4.25Å; L734-L849 HydrophobicContact CD1-CD1 3.72Å; L734-F920 HydrophobicContact CD1-CE2 4.27Å
735	D	89.4	Confident	84.7	Confident	3 Å²	3	62.1 Å²	62.1	2%	0.016	33%	0.33	C	S	.	.			trans	-139.1	71.3	172.1	-170.1	32.3	0	0	0	111.8	E737 G738 P763 R846	D735-E737 PolarHBondContact O-N 3.29Å; D735-E737 VanDerWaalsContact O-N 3.16Å; D735-G738 PolarHBondContact O-N 3.19Å; D735-G738 VanDerWaalsContact OD2-CA 3.22Å; D735-G738 WeakPolarHBondContact OD2-CA 3.42Å; D735-P763 HydrophobicContact CB-CG 3.96Å; D735-R846 HydrophobicContact CB-CB 4.36Å; D735-R846 HydrophobicContact CB-CG 4.44Å; D735-R846 IonicContact OD1-NH1 3.55Å; D735-R846 WeakPolarHBondContact OD2-CD 3.35Å; D735-R846 IonicContact OD2-CZ 3.69Å; D735-R846 IonicContact OD2-NE 3.8Å; D735-R846 IonicContact OD2-NH1 2.78Å; D735-R846 PolarHBondContact OD2-NH1 2.73Å
736	P	82.8	Confident	84.5	Confident	85 Å²	85	60.3 Å²	60.3	55%	0.552	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-18	-176.7	26.6	-34.9	0	0	0	113.8
737	E	75.1	Confident	84.3	Confident	167 Å²	167	62.9 Å²	62.9	78%	0.78	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	9.1	176.4	-59.4	-168.3	163	0	0	113.1	D735	D735-E737 PolarHBondContact O-N 3.29Å; D735-E737 VanDerWaalsContact O-N 3.16Å
738	G	64.9	Low	84.4	Confident	2 Å²	2	57.8 Å²	57.8	2%	0.021	32%	0.321	C	S	.	.			trans	-58.9	158.4	-174.5	0	0	0	0	0	114.9	D735 Q741	D735-G738 PolarHBondContact O-N 3.19Å; D735-G738 VanDerWaalsContact OD2-CA 3.22Å; D735-G738 WeakPolarHBondContact OD2-CA 3.42Å; G738-Q741 WeakPolarHBondContact O-CG 3.07Å; G738-Q741 PolarHBondContact O-NE2 2.82Å
739	D	60.2	Low	84.5	Confident	134 Å²	134	57 Å²	57	72%	0.717	31%	0.308	S	S	*	.	S	Bend	trans	-85	-22.7	179.2	-78.5	-40.8	0	0	0	112.7	Q818	D739-Q818 PolarHBondContact OD2-NE2 3.36Å
740	A	61.8	Low	84.6	Confident	51 Å²	51	54.9 Å²	54.9	42%	0.421	30%	0.301	S	S	.	.	S	Bend	trans	-75.9	-42.7	177.7	0	0	0	0	0	110.4	I742	A740-I742 WeakPolarHBondContact O-CG1 2.96Å; A740-I742 PolarHBondContact O-N 2.76Å
741	Q	66.8	Low	84.4	Confident	149 Å²	149	60.9 Å²	60.9	70%	0.696	33%	0.329	S	S	*	.			trans	53.3	35.6	179.1	-56.1	-170.7	-24.5	0	0	112.2	G738 D762	G738-Q741 WeakPolarHBondContact O-CG 3.07Å; G738-Q741 PolarHBondContact O-NE2 2.82Å; Q741-D762 VanDerWaalsContact CA-OD2 3.32Å; Q741-D762 WeakPolarHBondContact CA-OD2 3.31Å; Q741-D762 PolarHBondContact N-OD2 2.81Å
742	I	82.4	Confident	84.4	Confident	68 Å²	68	57.7 Å²	57.7	35%	0.349	31%	0.309	S	S	.	.			trans	-112.1	108	175.5	-58.9	176.9	0	0	0	106.2	A740 M759 S761 D762	A740-I742 WeakPolarHBondContact O-CG1 2.96Å; A740-I742 PolarHBondContact O-N 2.76Å; I742-M759 HydrophobicContact CG2-CB 4.27Å; I742-M759 HydrophobicContact CG2-CE 3.65Å; I742-S761 VanDerWaalsContact O-CA 3.3Å; I742-S761 WeakPolarHBondContact O-CA 3.47Å; I742-S761 WeakPolarHBondContact O-CB 3.28Å; I742-D762 PolarHBondContact N-OD2 3.28Å; I742-D762 PolarHBondContact O-N 3.3Å
743	D	84.9	Confident	84.5	Confident	97 Å²	97	59.7 Å²	59.7	52%	0.519	32%	0.319	S	S	.	.			trans	-70.9	148.8	173.9	-64.6	-37.2	0	0	0	110.4
744	P	90.4	Very high	84.8	Confident	12 Å²	12	57.8 Å²	57.8	8%	0.078	31%	0.307	C	S	.	.			trans	-62.7	138.5	172.9	27.7	-35.8	0	0	0	110.7	T731 W746 Q757	T731-P744 HydrophobicContact CG2-CG 4.49Å; P744-W746 HydrophobicContact CB-CD2 4.3Å; P744-W746 HydrophobicContact CB-CH2 4.37Å; P744-W746 HydrophobicContact CB-CZ2 3.59Å; P744-W746 HydrophobicContact CG-CZ2 3.68Å; P744-Q757 HydrophobicContact CB-CG 4.09Å
745	N	90.7	Very high	85	Confident	78 Å²	78	57.8 Å²	57.8	42%	0.417	31%	0.308	S	S	.	.			trans	-100.2	114.5	169.9	-180	0.2	0	0	0	108.9	Q757 T758 M759	N745-Q757 VanDerWaalsContact O-CA 3.32Å; N745-Q757 WeakPolarHBondContact O-CA 3.17Å; N745-T758 PolarHBondContact ND2-OG1 3.08Å; N745-T758 PolarHBondContact O-N 2.83Å; N745-M759 HydrophobicContact CB-CG 3.72Å
746	W	92.5	Very high	85.3	Confident	15 Å²	15	58.1 Å²	58.1	6%	0.057	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	122.9	-178.1	-51.7	106.1	0	0	0	110.7	Y729 P744 I755 Q757 A766 V919 C921 W929	Y729-W746 HydrophobicContact CE2-CB 4.02Å; Y729-W746 AromaticContact CE2-CD1 3.79Å; Y729-W746 HydrophobicContact CE2-CG 4.08Å; P744-W746 HydrophobicContact CB-CD2 4.3Å; P744-W746 HydrophobicContact CB-CH2 4.37Å; P744-W746 HydrophobicContact CB-CZ2 3.59Å; P744-W746 HydrophobicContact CG-CZ2 3.68Å; W746-I755 HydrophobicContact CE3-CG2 3.88Å; W746-Q757 HydrophobicContact CD2-CG 4.33Å; W746-Q757 HydrophobicContact CE3-CB 3.77Å; W746-Q757 HydrophobicContact CE3-CG 3.81Å; W746-Q757 HydrophobicContact CH2-CG 4.18Å; W746-Q757 HydrophobicContact CZ3-CB 3.73Å; W746-Q757 HydrophobicContact CZ3-CG 3.73Å; W746-A766 HydrophobicContact CD2-CB 3.74Å; W746-A766 HydrophobicContact CE3-CB 4.06Å; W746-A766 HydrophobicContact CG-CB 4.12Å; W746-A766 HydrophobicContact CH2-CB 4.35Å; W746-A766 HydrophobicContact CZ2-CB 4.05Å; W746-A766 HydrophobicContact CZ3-CB 4.35Å; W746-V919 HydrophobicContact CE3-CG2 4.16Å; W746-V919 HydrophobicContact CH2-CG2 4.13Å; W746-V919 HydrophobicContact CZ3-CG2 3.62Å; W746-C921 HydrophobicContact CH2-CB 4.17Å; W746-C921 VanDerWaalsContact CH2-SG 3.52Å; W746-W929 HydrophobicContact CE3-CZ3 4.33Å; W746-W929 HydrophobicContact CH2-CH2 4.38Å; W746-W929 AromaticContact CZ3-CH2 3.71Å; W746-W929 HydrophobicContact CZ3-CH2 3.71Å; W746-W929 AromaticContact CZ3-CZ3 3.7Å; W746-W929 HydrophobicContact CZ3-CZ3 3.7Å
747	V	91.6	Very high	85.9	Confident	58 Å²	58	54.1 Å²	54.1	35%	0.352	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.7	174.2	-177.8	0	0	0	0	108.2	L749 I755 V756	V747-L749 HydrophobicContact CG1-CD2 4.19Å; V747-L749 HydrophobicContact CG1-CG 4.3Å; V747-I755 CarbonylContact O-C 3.52Å; V747-I755 WeakPolarHBondContact O-CA 3.3Å; V747-V756 HydrophobicContact CB-CB 4.4Å; V747-V756 PolarHBondContact N-O 2.84Å; V747-V756 PolarHBondContact O-N 3.3Å
748	V	92.6	Very high	86.7	Confident	41 Å²	41	48.3 Å²	48.3	25%	0.248	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.6	-179.6	-175.2	0	0	0	0	109.8	R727 Y729 E754	R727-V748 HydrophobicContact CG-CG1 4.04Å; Y729-V748 HydrophobicContact CD1-CG2 4.08Å; Y729-V748 HydrophobicContact CE1-CG2 3.64Å; V748-E754 CarbonylContact C-O 3.57Å; V748-E754 WeakPolarHBondContact CA-O 3.31Å
749	L	92.6	Very high	87.9	Confident	47 Å²	47	51.8 Å²	51.8	25%	0.246	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	177.6	-178.9	-59.7	173.3	0	0	0	110	V747 Q751 G752 M753 E754 V756	V747-L749 HydrophobicContact CG1-CD2 4.19Å; V747-L749 HydrophobicContact CG1-CG 4.3Å; L749-Q751 PolarHBondContact O-N 3.05Å; L749-G752 PolarHBondContact O-N 2.91Å; L749-M753 PolarHBondContact O-N 2.78Å; L749-E754 HydrophobicContact CB-CB 4.06Å; L749-E754 HydrophobicContact CB-CG 4.2Å; L749-E754 PolarHBondContact N-O 3.05Å; L749-E754 PolarHBondContact O-N 3.04Å; L749-V756 HydrophobicContact CD1-CG2 4.01Å
750	N	93.4	Very high	89.3	Confident	17 Å²	17	48.1 Å²	48.1	9%	0.091	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	48.7	41.3	177.2	-166	15.3	0	0	0	113.6	S489 G490 E492 G752 M753 E754	S489-N750 WeakPolarHBondContact CB-ND2 3.35Å; S489-N750 PolarHBondContact O-ND2 3.1Å; S489-N750 PolarHBondContact OG-ND2 3.4Å; G490-N750 VanDerWaalsContact CA-CG 3.41Å; G490-N750 WeakPolarHBondContact CA-OD1 2.98Å; E492-N750 PolarHBondContact OE1-N 3.19Å; N750-G752 PolarHBondContact O-N 3.36Å; N750-G752 VanDerWaalsContact O-N 3.15Å; N750-M753 HydrophobicContact CB-CB 4.29Å; N750-M753 VanDerWaalsContact O-CE 3.31Å; N750-M753 WeakPolarHBondContact O-CE 3.46Å; N750-M753 PolarHBondContact O-N 3.23Å; N750-M753 VanDerWaalsContact O-N 3.11Å; N750-M753 WeakPolarHBondContact OD1-CE 3.47Å; N750-E754 HydrophobicContact CB-CB 3.93Å
751	Q	91.3	Very high	90.7	Very high	146 Å²	146	45.9 Å²	45.9	68%	0.682	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	54.9	33.1	179.5	-57.3	170.9	1.6	0	0	114.2	R727 L749	R727-Q751 PolarHBondContact NE-O 2.83Å; L749-Q751 PolarHBondContact O-N 3.05Å
752	G	92.1	Very high	91.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	100.7	-0.8	179.5	0	0	0	0	0	114.8	F726 L749 N750	F726-G752 WeakPolarHBondContact CB-O 3.45Å; F726-G752 WeakPolarHBondContact CD2-O 3.09Å; F726-G752 PolarHBondContact N-O 3.02Å; L749-G752 PolarHBondContact O-N 2.91Å; N750-G752 PolarHBondContact O-N 3.36Å; N750-G752 VanDerWaalsContact O-N 3.15Å
753	M	95.8	Very high	92.3	Very high	43 Å²	43	36 Å²	36	21%	0.212	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	2.5	177.7	-65	178.6	-72.1	0	0	113.4	T724 L749 N750 N931 L932	T724-M753 HydrophobicContact CG2-CG 4.14Å; T724-M753 WeakPolarHBondContact O-CG 3.32Å; L749-M753 PolarHBondContact O-N 2.78Å; N750-M753 HydrophobicContact CB-CB 4.29Å; N750-M753 VanDerWaalsContact O-CE 3.31Å; N750-M753 WeakPolarHBondContact O-CE 3.46Å; N750-M753 PolarHBondContact O-N 3.23Å; N750-M753 VanDerWaalsContact O-N 3.11Å; N750-M753 WeakPolarHBondContact OD1-CE 3.47Å; M753-N931 PolarHBondContact O-N 3.34Å; M753-L932 WeakPolarHBondContact O-CB 3.12Å; M753-L932 PolarHBondContact O-N 3.33Å
754	E	97.4	Very high	92.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	134.8	174.9	-179.1	164.3	111.4	0	0	110.6	S489 V748 L749 N750 I928 W929 S930	S489-E754 WeakPolarHBondContact CB-OE2 3.22Å; S489-E754 PolarHBondContact N-OE2 3.46Å; S489-E754 PolarHBondContact OG-OE2 3.35Å; V748-E754 CarbonylContact C-O 3.57Å; V748-E754 WeakPolarHBondContact CA-O 3.31Å; L749-E754 HydrophobicContact CB-CB 4.06Å; L749-E754 HydrophobicContact CB-CG 4.2Å; L749-E754 PolarHBondContact N-O 3.05Å; L749-E754 PolarHBondContact O-N 3.04Å; N750-E754 HydrophobicContact CB-CB 3.93Å; E754-I928 HydrophobicContact CG-CG2 4.35Å; E754-W929 CarbonylContact C-O 3.47Å; E754-W929 VanDerWaalsContact CA-O 3.28Å; E754-W929 WeakPolarHBondContact CA-O 3.5Å; E754-S930 WeakPolarHBondContact OE2-CB 3.46Å; E754-S930 PolarHBondContact OE2-OG 3.34Å
755	I	97.1	Very high	93.1	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	134	177.8	-55.1	174.4	0	0	0	107.9	F726 W746 V747 V919 W929 L932	F726-I755 HydrophobicContact CB-CD1 3.83Å; F726-I755 HydrophobicContact CB-CG1 4.42Å; F726-I755 HydrophobicContact CD1-CD1 4.39Å; F726-I755 HydrophobicContact CG-CD1 4.11Å; W746-I755 HydrophobicContact CE3-CG2 3.88Å; V747-I755 CarbonylContact O-C 3.52Å; V747-I755 WeakPolarHBondContact O-CA 3.3Å; I755-V919 HydrophobicContact CD1-CG1 4.21Å; I755-V919 HydrophobicContact CD1-CG2 3.91Å; I755-V919 HydrophobicContact CG2-CG2 4.16Å; I755-W929 HydrophobicContact CB-CE3 4.32Å; I755-W929 HydrophobicContact CG2-CE3 4.27Å; I755-W929 PolarHBondContact N-O 2.9Å; I755-W929 PolarHBondContact O-N 3.33Å; I755-L932 HydrophobicContact CD1-CD1 3.88Å; I755-L932 HydrophobicContact CG1-CD1 3.92Å
756	V	96	Very high	93.4	Very high	10 Å²	10	27.1 Å²	27.1	6%	0.061	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132.7	174.3	-176.4	0	0	0	0	109	V747 L749 T758 I927 I928	V747-V756 HydrophobicContact CB-CB 4.4Å; V747-V756 PolarHBondContact N-O 2.84Å; V747-V756 PolarHBondContact O-N 3.3Å; L749-V756 HydrophobicContact CD1-CG2 4.01Å; V756-T758 HydrophobicContact CG1-CG2 4.16Å; V756-I927 CarbonylContact C-O 3.59Å; V756-I927 VanDerWaalsContact CA-O 3.3Å; V756-I927 WeakPolarHBondContact CA-O 3.4Å; V756-I928 HydrophobicContact CG1-CG1 4.33Å; V756-I928 HydrophobicContact CG2-CG1 4.22Å; V756-I928 HydrophobicContact CG2-CG2 4.25Å
757	Q	95.1	Very high	93.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.9	172.6	-166.6	-73.8	-10.8	0	0	109.2	P744 N745 W746 M759 S761 C921 Q924 N926 I927 W929	P744-Q757 HydrophobicContact CB-CG 4.09Å; N745-Q757 VanDerWaalsContact O-CA 3.32Å; N745-Q757 WeakPolarHBondContact O-CA 3.17Å; W746-Q757 HydrophobicContact CD2-CG 4.33Å; W746-Q757 HydrophobicContact CE3-CB 3.77Å; W746-Q757 HydrophobicContact CE3-CG 3.81Å; W746-Q757 HydrophobicContact CH2-CG 4.18Å; W746-Q757 HydrophobicContact CZ3-CB 3.73Å; W746-Q757 HydrophobicContact CZ3-CG 3.73Å; Q757-M759 VanDerWaalsContact CD-O 3.25Å; Q757-M759 PolarHBondContact NE2-O 3.05Å; Q757-M759 PolarHBondContact OE1-O 2.95Å; Q757-S761 PolarHBondContact NE2-OG 2.81Å; Q757-C921 HydrophobicContact CG-CB 4.47Å; Q757-Q924 PolarHBondContact OE1-O 3.31Å; Q757-N926 CarbonylContact O-C 3.39Å; Q757-N926 WeakPolarHBondContact O-CA 3.46Å; Q757-N926 PolarHBondContact O-N 2.04Å; Q757-I927 PolarHBondContact N-O 3.2Å; Q757-I927 PolarHBondContact O-N 3.04Å; Q757-W929 HydrophobicContact CB-CH2 3.86Å; Q757-W929 HydrophobicContact CB-CZ3 3.53Å
758	T	90.6	Very high	93.8	Very high	45 Å²	45	23.9 Å²	23.9	28%	0.276	13%	0.125	S	C	.	.			trans	-109.6	-11.7	-166.3	57.2	0	0	0	0	114.9	N745 V756	N745-T758 PolarHBondContact ND2-OG1 3.08Å; N745-T758 PolarHBondContact O-N 2.83Å; V756-T758 HydrophobicContact CG1-CG2 4.16Å
759	M	90.1	Very high	93.9	Very high	76 Å²	76	27.5 Å²	27.5	37%	0.374	14%	0.135	S	C	.	.	S	Bend	trans	-109.1	145.5	-170.2	-68.3	-63.9	-69.7	0	0	112.1	I742 N745 Q757 S761	I742-M759 HydrophobicContact CG2-CB 4.27Å; I742-M759 HydrophobicContact CG2-CE 3.65Å; N745-M759 HydrophobicContact CB-CG 3.72Å; Q757-M759 VanDerWaalsContact CD-O 3.25Å; Q757-M759 PolarHBondContact NE2-O 3.05Å; Q757-M759 PolarHBondContact OE1-O 2.95Å; M759-S761 PolarHBondContact O-N 2.85Å; M759-S761 VanDerWaalsContact O-N 3.07Å
760	N	91.2	Very high	94	Very high	56 Å²	56	27.5 Å²	27.5	30%	0.299	14%	0.137	S	C	.	.			trans	-77	96.7	162.2	-171.7	-14.1	0	0	0	108.5	D788 S923 E925	N760-D788 PolarHBondContact ND2-OD2 2.83Å; N760-S923 WeakPolarHBondContact OD1-CA 3.31Å; N760-S923 PolarHBondContact OD1-O 2.75Å; N760-S923 VanDerWaalsContact OD1-O 3.11Å; N760-S923 PolarHBondContact OD1-OG 3.45Å; N760-E925 HydrophobicContact CB-CB 4.32Å
761	S	90.9	Very high	94.1	Very high	4 Å²	4	27.6 Å²	27.6	3%	0.028	14%	0.141	C	C	.	.			trans	-113.9	165.1	-166.8	67.8	0	0	0	0	114.1	I742 Q757 M759 S923	I742-S761 VanDerWaalsContact O-CA 3.3Å; I742-S761 WeakPolarHBondContact O-CA 3.47Å; I742-S761 WeakPolarHBondContact O-CB 3.28Å; Q757-S761 PolarHBondContact NE2-OG 2.81Å; M759-S761 PolarHBondContact O-N 2.85Å; M759-S761 VanDerWaalsContact O-N 3.07Å; S761-S923 WeakPolarHBondContact O-CA 3.09Å; S761-S923 PolarHBondContact O-N 2.79Å
762	D	89.6	Confident	94.3	Very high	8 Å²	8	21 Å²	21	4%	0.043	11%	0.11	C	C	.	.	S	Bend	trans	-56.3	160.1	162.1	-77.8	-45	0	0	0	111	Q741 I742 G764	Q741-D762 VanDerWaalsContact CA-OD2 3.32Å; Q741-D762 WeakPolarHBondContact CA-OD2 3.31Å; Q741-D762 PolarHBondContact N-OD2 2.81Å; I742-D762 PolarHBondContact N-OD2 3.28Å; I742-D762 PolarHBondContact O-N 3.3Å; D762-G764 PolarHBondContact O-N 2.64Å
763	P	93.1	Very high	94.3	Very high	1 Å²	1	22 Å²	22	1%	0.006	12%	0.115	C	C	.	.	S	Bend	trans	-61.9	122.7	-179.2	25.4	-33.5	0	0	0	110.2	L734 D735 R846 C921 F922	L734-P763 HydrophobicContact CB-CB 4.09Å; L734-P763 HydrophobicContact CB-CG 4.08Å; L734-P763 WeakPolarHBondContact CB-O 3.17Å; L734-P763 HydrophobicContact CD1-CB 4.43Å; L734-P763 PolarHBondContact N-O 2.62Å; D735-P763 HydrophobicContact CB-CG 3.96Å; P763-R846 HydrophobicContact CG-CG 4.25Å; P763-C921 WeakPolarHBondContact CA-O 3.49Å; P763-F922 HydrophobicContact CB-CB 4.06Å; P763-F922 HydrophobicContact CB-CD1 3.72Å; P763-F922 HydrophobicContact CB-CD2 3.92Å; P763-F922 HydrophobicContact CB-CE1 4.07Å; P763-F922 HydrophobicContact CB-CE2 4.21Å; P763-F922 HydrophobicContact CB-CG 3.66Å; P763-F922 HydrophobicContact CB-CZ 4.31Å; P763-F922 HydrophobicContact CG-CD1 4.07Å; P763-F922 HydrophobicContact CG-CE1 3.94Å; P763-F922 HydrophobicContact CG-CE2 4.42Å; P763-F922 HydrophobicContact CG-CG 4.43Å; P763-F922 HydrophobicContact CG-CZ 4.12Å
764	G	93.8	Very high	94.2	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	154	-174.2	0	0	0	0	0	112.9	V732 D762 C921	V732-G764 WeakPolarHBondContact O-CA 3.31Å; D762-G764 PolarHBondContact O-N 2.64Å; G764-C921 PolarHBondContact N-O 2.87Å; G764-C921 PolarHBondContact O-N 2.88Å
765	L	96.7	Very high	94.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	141.8	179.5	-41.8	-179.4	0	0	0	109.6	T731 V732 L734 V767 L795 Y798 F804 V919 F920	T731-L765 WeakPolarHBondContact CA-O 3.49Å; V732-L765 HydrophobicContact CB-CB 4.01Å; V732-L765 HydrophobicContact CB-CD1 4.06Å; V732-L765 HydrophobicContact CB-CG 4.14Å; V732-L765 HydrophobicContact CG1-CD1 4.24Å; V732-L765 PolarHBondContact N-O 3.09Å; V732-L765 PolarHBondContact O-N 3.18Å; L734-L765 HydrophobicContact CD1-CD1 4.26Å; L734-L765 HydrophobicContact CD1-CD2 3.61Å; L734-L765 HydrophobicContact CD1-CG 3.93Å; L734-L765 HydrophobicContact CD2-CD1 4.15Å; L734-L765 HydrophobicContact CD2-CG 4.43Å; L734-L765 HydrophobicContact CG-CD1 4.42Å; L734-L765 HydrophobicContact CG-CD2 4.39Å; L734-L765 HydrophobicContact CG-CG 4.17Å; L765-V767 HydrophobicContact CB-CG2 3.75Å; L765-V767 HydrophobicContact CD1-CG2 4.3Å; L765-L795 HydrophobicContact CB-CD2 3.86Å; L765-L795 HydrophobicContact CD1-CD2 3.73Å; L765-L795 HydrophobicContact CD2-CD2 3.6Å; L765-L795 HydrophobicContact CG-CD2 3.91Å; L765-Y798 HydrophobicContact CD1-CD2 3.93Å; L765-Y798 HydrophobicContact CD1-CE2 3.53Å; L765-F804 HydrophobicContact CD1-CE1 4.42Å; L765-F804 HydrophobicContact CD1-CZ 4.36Å; L765-V919 WeakPolarHBondContact CA-O 3.25Å; L765-F920 HydrophobicContact CD2-CB 4.33Å; L765-F920 HydrophobicContact CD2-CD2 3.49Å; L765-F920 VanDerWaalsContact CD2-CD2 3.49Å; L765-F920 HydrophobicContact CD2-CE2 4.29Å; L765-F920 HydrophobicContact CD2-CG 4.38Å
766	A	96.9	Very high	94.2	Very high	1 Å²	1	22 Å²	22	1%	0.008	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	111.6	157.4	0	0	0	0	0	107.5	Y729 Q730 W746 G918 V919	Y729-A766 HydrophobicContact CD2-CB 3.73Å; Y729-A766 HydrophobicContact CE2-CB 4.22Å; Y729-A766 HydrophobicContact CG-CB 4.36Å; Q730-A766 WeakPolarHBondContact O-CA 3.49Å; W746-A766 HydrophobicContact CD2-CB 3.74Å; W746-A766 HydrophobicContact CE3-CB 4.06Å; W746-A766 HydrophobicContact CG-CB 4.12Å; W746-A766 HydrophobicContact CH2-CB 4.35Å; W746-A766 HydrophobicContact CZ2-CB 4.05Å; W746-A766 HydrophobicContact CZ3-CB 4.35Å; A766-G918 CarbonylContact O-C 3.31Å; A766-G918 WeakPolarHBondContact O-CA 3.46Å; A766-V919 HydrophobicContact CB-CG2 3.85Å; A766-V919 PolarHBondContact N-O 3.01Å; A766-V919 VanDerWaalsContact N-O 3.15Å; A766-V919 PolarHBondContact O-N 2.72Å
767	V	97.7	Very high	94.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.9	-172.4	-171.7	0	0	0	0	108.9	Y729 Q730 V732 L765 L795 Y798 R916 L917	Y729-V767 CarbonylContact C-O 3.25Å; Y729-V767 VanDerWaalsContact CA-O 3.25Å; Y729-V767 WeakPolarHBondContact CA-O 3.16Å; Y729-V767 WeakPolarHBondContact CB-O 3.38Å; Q730-V767 PolarHBondContact N-O 2.77Å; Q730-V767 PolarHBondContact O-N 3.17Å; V732-V767 HydrophobicContact CG2-CG2 4.25Å; L765-V767 HydrophobicContact CB-CG2 3.75Å; L765-V767 HydrophobicContact CD1-CG2 4.3Å; V767-L795 HydrophobicContact CG2-CD1 4.39Å; V767-L795 HydrophobicContact CG2-CD2 4.18Å; V767-Y798 HydrophobicContact CG1-CD1 3.9Å; V767-Y798 HydrophobicContact CG1-CG 3.92Å; V767-Y798 HydrophobicContact CG2-CD2 4.09Å; V767-Y798 HydrophobicContact CG2-CE2 4.27Å; V767-Y798 HydrophobicContact CG2-CG 4.22Å; V767-R916 HydrophobicContact CG1-CB 3.67Å; V767-L917 CarbonylContact C-O 3.36Å; V767-L917 WeakPolarHBondContact CA-O 3.26Å; V767-L917 WeakPolarHBondContact CG1-O 3.44Å
768	G	96.2	Very high	94.5	Very high	5 Å²	5	23 Å²	23	5%	0.052	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	154	172.8	0	0	0	0	0	111.1	R916 L917	G768-R916 WeakPolarHBondContact O-CB 3.37Å; G768-R916 WeakPolarHBondContact O-CD 3.45Å; G768-L917 PolarHBondContact N-O 2.85Å
769	Y	93.8	Very high	94.8	Very high	117 Å²	117	20.8 Å²	20.8	46%	0.459	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	-28.5	-178.1	-71.8	-77.5	0	0	0	113.7	L616 A728 Q730 A771 R916	L616-Y769 HydrophobicContact CD1-CD1 4.12Å; L616-Y769 HydrophobicContact CD1-CE1 4.12Å; A728-Y769 HydrophobicContact CB-CD2 3.85Å; A728-Y769 HydrophobicContact CB-CE2 4.07Å; A728-Y769 WeakPolarHBondContact O-CD2 3.43Å; Q730-Y769 HydrophobicContact CB-CE1 4.23Å; Y769-A771 PolarHBondContact O-N 2.88Å; Y769-R916 VanDerWaalsContact O-CD 3.24Å; Y769-R916 WeakPolarHBondContact O-CD 3.47Å
770	T	94.6	Very high	95.2	Very high	47 Å²	47	17.2 Å²	17.2	29%	0.288	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	130.3	-180	-49.8	0	0	0	0	111.8	V721 F772	V721-T770 HydrophobicContact CB-CG2 4.36Å; V721-T770 HydrophobicContact CG1-CG2 3.95Å; V721-T770 HydrophobicContact CG2-CG2 3.38Å; T770-F772 HydrophobicContact CG2-CE1 3.97Å; T770-F772 HydrophobicContact CG2-CE2 3.88Å; T770-F772 HydrophobicContact CG2-CZ 3.5Å; T770-F772 VanDerWaalsContact O-CE2 3.31Å; T770-F772 WeakPolarHBondContact O-CE2 3.4Å
771	A	95.2	Very high	95.5	Very high	20 Å²	20	14.8 Å²	14.8	17%	0.165	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	152.7	177.2	0	0	0	0	0	111.5	S645 Y769 R916	S645-A771 WeakPolarHBondContact O-CB 3.35Å; Y769-A771 PolarHBondContact O-N 2.88Å; A771-R916 HydrophobicContact CB-CG 3.87Å
772	F	96	Very high	95.8	Very high	7 Å²	7	14.7 Å²	14.7	3%	0.031	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	139.9	-172.1	-56.3	-92	0	0	0	112.4	V721 T770 V775 G914 G915 L917 Y934	V721-F772 HydrophobicContact CG1-CE1 4.49Å; T770-F772 HydrophobicContact CG2-CE1 3.97Å; T770-F772 HydrophobicContact CG2-CE2 3.88Å; T770-F772 HydrophobicContact CG2-CZ 3.5Å; T770-F772 VanDerWaalsContact O-CE2 3.31Å; T770-F772 WeakPolarHBondContact O-CE2 3.4Å; F772-V775 HydrophobicContact CB-CB 3.92Å; F772-V775 HydrophobicContact CB-CG1 4.35Å; F772-V775 HydrophobicContact CB-CG2 4.38Å; F772-V775 HydrophobicContact CD1-CB 4.36Å; F772-V775 HydrophobicContact CD1-CG2 4.01Å; F772-V775 HydrophobicContact CD2-CG2 4.49Å; F772-V775 HydrophobicContact CE1-CG2 4.44Å; F772-V775 HydrophobicContact CG-CB 4.13Å; F772-V775 HydrophobicContact CG-CG2 4.04Å; F772-G914 WeakPolarHBondContact O-CA 3.25Å; F772-G915 PolarHBondContact N-O 3.26Å; F772-G915 PolarHBondContact O-N 3.08Å; F772-L917 HydrophobicContact CD2-CD1 4.04Å; F772-L917 HydrophobicContact CD2-CG 3.84Å; F772-L917 HydrophobicContact CE2-CB 4.48Å; F772-L917 HydrophobicContact CE2-CD1 3.69Å; F772-L917 HydrophobicContact CE2-CG 3.76Å; F772-L917 HydrophobicContact CZ-CD1 4.24Å; F772-Y934 AromaticContact CE1-CD2 3.66Å; F772-Y934 HydrophobicContact CE1-CD2 3.66Å; F772-Y934 AromaticContact CE1-CE2 3.93Å; F772-Y934 HydrophobicContact CE1-CE2 3.93Å; F772-Y934 HydrophobicContact CE1-CG 4.31Å; F772-Y934 HydrophobicContact CZ-CD1 4.23Å; F772-Y934 AromaticContact CZ-CD2 3.48Å; F772-Y934 HydrophobicContact CZ-CD2 3.48Å; F772-Y934 VanDerWaalsContact CZ-CD2 3.48Å; F772-Y934 HydrophobicContact CZ-CE1 4.25Å; F772-Y934 AromaticContact CZ-CE2 3.56Å; F772-Y934 HydrophobicContact CZ-CE2 3.56Å; F772-Y934 AromaticContact CZ-CG 3.85Å; F772-Y934 HydrophobicContact CZ-CG 3.85Å; F772-Y934 AromaticContact CZ-CZ 3.95Å
773	N	92	Very high	96.1	Very high	20 Å²	20	14.3 Å²	14.3	11%	0.107	7%	0.074	C	C	.	.	S	Bend	trans	-84.7	-33.1	172.6	-59.8	-12.7	0	0	0	112.2	N644 S645 S646 P885	N644-N773 WeakPolarHBondContact CA-OD1 3.28Å; S645-N773 PolarHBondContact N-OD1 3.31Å; S646-N773 PolarHBondContact N-OD1 2.65Å; S646-N773 PolarHBondContact OG-ND2 2.8Å; S646-N773 VanDerWaalsContact OG-ND2 3.09Å; S646-N773 PolarHBondContact OG-OD1 2.77Å; N773-P885 VanDerWaalsContact O-CB 3.3Å; N773-P885 WeakPolarHBondContact O-CB 3.48Å; N773-P885 WeakPolarHBondContact O-CD 3.47Å; N773-P885 WeakPolarHBondContact O-CG 3.4Å
774	G	94.9	Very high	96.3	Very high	2 Å²	2	16 Å²	16	2%	0.021	8%	0.083	C	C	.	.	S	Bend	trans	-155.2	129	177.2	0	0	0	0	0	109.6	N937 D938	G774-N937 CarbonylContact C-O 3.54Å; G774-N937 PolarHBondContact O-N 2.98Å; G774-D938 VanDerWaalsContact CA-OD1 3.25Å; G774-D938 WeakPolarHBondContact CA-OD1 3.49Å; G774-D938 PolarHBondContact N-OD1 3.39Å
775	V	97.3	Very high	96.3	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.018	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	139.3	-167.2	69.1	0	0	0	0	112.6	F772 H883 R884 L917 R935	F772-V775 HydrophobicContact CB-CB 3.92Å; F772-V775 HydrophobicContact CB-CG1 4.35Å; F772-V775 HydrophobicContact CB-CG2 4.38Å; F772-V775 HydrophobicContact CD1-CB 4.36Å; F772-V775 HydrophobicContact CD1-CG2 4.01Å; F772-V775 HydrophobicContact CD2-CG2 4.49Å; F772-V775 HydrophobicContact CE1-CG2 4.44Å; F772-V775 HydrophobicContact CG-CB 4.13Å; F772-V775 HydrophobicContact CG-CG2 4.04Å; V775-H883 HydrophobicContact CG1-CB 4.23Å; V775-H883 PolarHBondContact N-O 3.06Å; V775-H883 PolarHBondContact O-N 2.87Å; V775-R884 PolarHBondContact O-NH1 3.49Å; V775-R884 VanDerWaalsContact O-NH1 3.15Å; V775-L917 HydrophobicContact CG1-CD2 4.18Å; V775-L917 HydrophobicContact CG2-CD1 3.96Å; V775-R935 WeakPolarHBondContact CA-O 3.04Å
776	D	97.6	Very high	96.1	Very high	40 Å²	40	21.7 Å²	21.7	21%	0.214	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	120.9	160.8	-65.8	-22.6	0	0	0	107.5	L881 L882 R884 Y934 R935 N937	D776-L881 CarbonylContact C-O 3.56Å; D776-L881 VanDerWaalsContact CA-O 3.3Å; D776-L881 WeakPolarHBondContact CA-O 3.2Å; D776-L882 WeakPolarHBondContact OD1-CG 3.44Å; D776-R884 IonicContact OD1-CZ 3.73Å; D776-R884 VanDerWaalsContact OD1-CZ 3.23Å; D776-R884 IonicContact OD1-NH1 3.84Å; D776-R884 PolarHBondContact OD1-NH1 3.39Å; D776-R884 IonicContact OD1-NH2 3.01Å; D776-R884 PolarHBondContact OD1-NH2 3.25Å; D776-R884 IonicContact OD2-NH2 2.69Å; D776-R884 PolarHBondContact OD2-NH2 2.84Å; D776-Y934 CarbonylContact O-C 3.32Å; D776-Y934 WeakPolarHBondContact O-CA 3.31Å; D776-R935 PolarHBondContact N-O 2.84Å; D776-R935 PolarHBondContact O-N 3.23Å; D776-N937 PolarHBondContact OD2-ND2 3.35Å
777	F	98.3	Very high	95.9	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	122.6	-177.6	177.7	-136.2	0	0	0	110.5	F726 F794 W879 L881 L917 L932 Q933	F726-F777 HydrophobicContact CE2-CE2 4.25Å; F726-F777 HydrophobicContact CZ-CE2 4.16Å; F726-F777 HydrophobicContact CZ-CZ 4.23Å; F777-F794 AromaticContact CD1-CD2 3.88Å; F777-F794 HydrophobicContact CD1-CD2 3.88Å; F777-F794 HydrophobicContact CD1-CE2 4.29Å; F777-F794 HydrophobicContact CE1-CB 4.07Å; F777-F794 AromaticContact CE1-CD2 3.82Å; F777-F794 HydrophobicContact CE1-CD2 3.82Å; F777-F794 HydrophobicContact CE1-CG 4.14Å; F777-W879 HydrophobicContact CE1-CZ2 4.31Å; F777-W879 HydrophobicContact CZ-CZ2 4.1Å; F777-L881 HydrophobicContact CB-CB 4.26Å; F777-L881 HydrophobicContact CB-CD2 4.19Å; F777-L881 PolarHBondContact N-O 2.65Å; F777-L881 WeakPolarHBondContact O-CA 3.36Å; F777-L881 VanDerWaalsContact O-CB 3.3Å; F777-L881 WeakPolarHBondContact O-CB 3.32Å; F777-L881 PolarHBondContact O-N 2.99Å; F777-L917 HydrophobicContact CB-CD1 4.05Å; F777-L917 HydrophobicContact CB-CD2 4.45Å; F777-L917 HydrophobicContact CD1-CD1 4.3Å; F777-L917 HydrophobicContact CD1-CD2 4.2Å; F777-L917 HydrophobicContact CD2-CD1 3.95Å; F777-L917 HydrophobicContact CE2-CD1 4.48Å; F777-L917 HydrophobicContact CG-CD1 3.86Å; F777-L917 HydrophobicContact CG-CD2 4.41Å; F777-L932 HydrophobicContact CE2-CD2 4.09Å; F777-L932 HydrophobicContact CZ-CD2 4Å; F777-Q933 WeakPolarHBondContact CD2-O 3.33Å
778	E	97.3	Very high	95.6	Very high	29 Å²	29	27.1 Å²	27.1	14%	0.136	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	158.7	-179.7	59.4	172.3	-150.6	0	0	111.8	R878 W879 Q880 Q933	E778-R878 VanDerWaalsContact CD-NH2 3.29Å; E778-R878 IonicContact OE1-CZ 3.64Å; E778-R878 IonicContact OE1-NE 2.64Å; E778-R878 IonicContact OE1-NH2 3.1Å; E778-R878 PolarHBondContact OE1-NH2 2.82Å; E778-R878 IonicContact OE2-NE 2.96Å; E778-R878 IonicContact OE2-NH2 2.65Å; E778-W879 VanDerWaalsContact CA-O 3.3Å; E778-W879 WeakPolarHBondContact CA-O 2.97Å; E778-W879 WeakPolarHBondContact CB-O 3.37Å; E778-Q880 HydrophobicContact CB-CB 4.48Å; E778-Q880 HydrophobicContact CB-CG 4.11Å; E778-Q880 WeakPolarHBondContact OE2-CG 3.49Å; E778-Q880 PolarHBondContact OE2-NE2 3.05Å; E778-Q933 HydrophobicContact CG-CB 4.03Å; E778-Q933 PolarHBondContact N-O 2.88Å; E778-Q933 PolarHBondContact O-N 2.89Å; E778-Q933 VanDerWaalsContact O-O 3.1Å
779	G	97.6	Very high	95.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.3	167.4	-178.7	0	0	0	0	0	111.3	R878 W879	G779-R878 WeakPolarHBondContact O-CA 3.39Å; G779-W879 PolarHBondContact N-O 2.84Å; G779-W879 VanDerWaalsContact O-CD2 3.29Å; G779-W879 PolarHBondContact O-N 3.04Å
780	T	98.1	Very high	95.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	120.2	-177.8	-65.6	0	0	0	0	109.7	D460 I461 P487 Y877 R878 W929 S930	D460-T780 VanDerWaalsContact O-CG2 3.31Å; D460-T780 WeakPolarHBondContact O-CG2 3.41Å; I461-T780 HydrophobicContact CB-CG2 4.05Å; I461-T780 WeakPolarHBondContact O-CB 3.36Å; I461-T780 PolarHBondContact O-OG1 3.36Å; P487-T780 HydrophobicContact CG-CG2 4.22Å; T780-Y877 CarbonylContact C-O 3.59Å; T780-Y877 VanDerWaalsContact CA-O 3.31Å; T780-Y877 WeakPolarHBondContact CA-O 3.32Å; T780-R878 PolarHBondContact OG1-NH1 3.22Å; T780-W929 CarbonylContact O-C 3.54Å; T780-W929 VanDerWaalsContact O-CA 3.3Å; T780-W929 WeakPolarHBondContact O-CA 3.31Å; T780-S930 WeakPolarHBondContact CB-O 3.45Å; T780-S930 PolarHBondContact N-O 3.32Å; T780-S930 PolarHBondContact O-N 3.47Å
781	F	97.4	Very high	95.7	Very high	6 Å²	6	21 Å²	21	3%	0.026	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	125	176.9	173	-107.9	0	0	0	109.9	V783 A792 W809 W871 Y877 W879 I927	F781-V783 HydrophobicContact CE1-CG2 4.13Å; F781-V783 HydrophobicContact CE2-CG2 3.96Å; F781-V783 HydrophobicContact CZ-CG2 3.46Å; F781-V783 VanDerWaalsContact CZ-CG2 3.46Å; F781-A792 HydrophobicContact CE2-CB 3.46Å; F781-A792 VanDerWaalsContact CE2-CB 3.46Å; F781-A792 HydrophobicContact CZ-CB 3.91Å; F781-W809 AromaticContact CD1-CE3 3.87Å; F781-W809 HydrophobicContact CD1-CE3 3.87Å; F781-W809 AromaticContact CD1-CZ3 3.91Å; F781-W809 HydrophobicContact CD1-CZ3 3.91Å; F781-W809 AromaticContact CE1-CE3 3.74Å; F781-W809 HydrophobicContact CE1-CE3 3.74Å; F781-W809 HydrophobicContact CE1-CZ3 4.01Å; F781-W871 HydrophobicContact CE1-CB 3.81Å; F781-W871 AromaticContact CE1-CG 3.91Å; F781-W871 HydrophobicContact CE1-CG 3.91Å; F781-W871 HydrophobicContact CZ-CG 4.22Å; F781-Y877 AromaticContact CD1-CD2 3.95Å; F781-Y877 HydrophobicContact CD1-CD2 3.95Å; F781-Y877 HydrophobicContact CE1-CD2 4.49Å; F781-Y877 PolarHBondContact N-O 2.81Å; F781-Y877 PolarHBondContact O-N 2.81Å; F781-W879 HydrophobicContact CB-CE3 3.75Å; F781-W879 HydrophobicContact CB-CZ3 3.65Å; F781-I927 HydrophobicContact CD2-CG2 4.22Å; F781-I927 HydrophobicContact CE2-CG2 3.8Å
782	H	97.4	Very high	95.8	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	136.1	176.3	-175.9	108.7	0	0	0	110.5	L485 P487 N784 K874 S876 I928	L485-H782 PolarHBondContact O-CE1 3.33Å; P487-H782 WeakPolarHBondContact CD-ND1 3.08Å; P487-H782 HydrophobicContact CG-CB 3.74Å; H782-N784 PolarHBondContact CD2-N 2.9Å; H782-K874 VanDerWaalsContact CE1-C 3.43Å; H782-S876 PolarHBondContact ND1-OG 3Å; H782-I928 HydrophobicContact CB-CB 4.37Å; H782-I928 PolarHBondContact N-O 2.71Å; H782-I928 PolarHBondContact O-N 2.94Å
783	V	97.4	Very high	95.9	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	107.7	172.6	-179.3	0	0	0	0	108	F781 T785 W871 K874	F781-V783 HydrophobicContact CE1-CG2 4.13Å; F781-V783 HydrophobicContact CE2-CG2 3.96Å; F781-V783 HydrophobicContact CZ-CG2 3.46Å; F781-V783 VanDerWaalsContact CZ-CG2 3.46Å; V783-T785 HydrophobicContact CG1-CG2 3.85Å; V783-T785 PolarHBondContact O-N 3.46Å; V783-T785 VanDerWaalsContact O-N 3.07Å; V783-W871 HydrophobicContact CB-CE3 4.3Å; V783-W871 HydrophobicContact CB-CH2 4.48Å; V783-W871 HydrophobicContact CB-CZ3 4.06Å; V783-W871 HydrophobicContact CG1-CH2 4.09Å; V783-W871 HydrophobicContact CG1-CZ3 4.01Å; V783-W871 HydrophobicContact CG2-CD2 4.31Å; V783-W871 HydrophobicContact CG2-CE3 4.15Å; V783-W871 HydrophobicContact CG2-CH2 4.36Å; V783-W871 HydrophobicContact CG2-CZ2 4.47Å; V783-W871 HydrophobicContact CG2-CZ3 4.18Å; V783-K874 WeakPolarHBondContact O-CA 3.27Å; V783-K874 PolarHBondContact O-N 2.92Å
784	N	95.5	Very high	96.2	Very high	37 Å²	37	19.4 Å²	19.4	20%	0.198	11%	0.111	C	C	.	.			trans	-85.1	31.8	-172	-169.2	17.5	0	0	0	112.9	H782 N926 I928	H782-N784 PolarHBondContact CD2-N 2.9Å; N784-N926 PolarHBondContact N-O 3.43Å; N784-I928 HydrophobicContact CB-CD1 3.89Å
785	T	93.9	Very high	96.3	Very high	18 Å²	18	19.3 Å²	19.3	11%	0.11	11%	0.11	C	C	.	.			trans	-141.7	167.2	176.2	-170.8	0	0	0	0	110.8	V783 T787 E925 N926	V783-T785 HydrophobicContact CG1-CG2 3.85Å; V783-T785 PolarHBondContact O-N 3.46Å; V783-T785 VanDerWaalsContact O-N 3.07Å; T785-T787 VanDerWaalsContact CG2-O 3.29Å; T785-T787 WeakPolarHBondContact CG2-O 3.09Å; T785-T787 WeakPolarHBondContact CG2-OG1 3.28Å; T785-T787 PolarHBondContact OG1-N 2.92Å; T785-T787 VanDerWaalsContact OG1-N 3.08Å; T785-T787 PolarHBondContact OG1-OG1 2.82Å; T785-E925 HydrophobicContact CG2-CG 4.28Å; T785-N926 HydrophobicContact CG2-CB 4.04Å
786	V	93.9	Very high	96.3	Very high	101 Å²	101	19.1 Å²	19.1	61%	0.612	11%	0.109	S	C	*	.	S	Bend	trans	-108.8	4.7	169	-60.5	0	0	0	0	111	D873	V786-D873 HydrophobicContact CG1-CB 3.99Å
787	T	92.1	Very high	96.3	Very high	61 Å²	61	17.4 Å²	17.4	37%	0.374	10%	0.1	S	C	.	.	S	Bend	trans	-93.3	144.5	177.1	53.8	0	0	0	0	109.7	T785 Q924 E925	T785-T787 VanDerWaalsContact CG2-O 3.29Å; T785-T787 WeakPolarHBondContact CG2-O 3.09Å; T785-T787 WeakPolarHBondContact CG2-OG1 3.28Å; T785-T787 PolarHBondContact OG1-N 2.92Å; T785-T787 VanDerWaalsContact OG1-N 3.08Å; T785-T787 PolarHBondContact OG1-OG1 2.82Å; T787-Q924 PolarHBondContact O-NE2 3.08Å; T787-E925 WeakPolarHBondContact CB-OE1 3.34Å; T787-E925 PolarHBondContact OG1-OE1 3.22Å
788	D	91.7	Very high	96.3	Very high	53 Å²	53	17.4 Å²	17.4	28%	0.283	10%	0.1	S	C	.	.			trans	64.7	169.8	-176	-129	-41.7	0	0	0	115.3	N760	N760-D788 PolarHBondContact ND2-OD2 2.83Å
789	D	93.6	Very high	96.3	Very high	40 Å²	40	16.5 Å²	16.5	21%	0.214	10%	0.096	C	C	.	.			trans	-146.9	25.1	-177.1	68.1	21.8	0	0	0	113.9	K810 Q811 T812 Q814	D789-K810 WeakPolarHBondContact O-CG 3.42Å; D789-K810 PolarHBondContact O-NZ 3.06Å; D789-K810 IonicContact OD1-NZ 2.84Å; D789-K810 PolarHBondContact OD1-NZ 3.45Å; D789-Q811 HydrophobicContact CB-CB 3.98Å; D789-Q811 HydrophobicContact CB-CG 4.29Å; D789-Q811 PolarHBondContact O-N 2.82Å; D789-T812 HydrophobicContact CB-CG2 3.93Å; D789-T812 PolarHBondContact OD1-OG1 2.78Å; D789-T812 WeakPolarHBondContact OD2-CG2 3.24Å; D789-T812 PolarHBondContact OD2-OG1 3.08Å; D789-Q814 PolarHBondContact OD1-OE1 2.91Å
790	D	95.5	Very high	96.2	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.011	10%	0.1	C	C	.	.			trans	-93.1	-164.1	-162.7	-87.1	-23.5	0	0	0	113.8	K810 Q814 W850 W871 S923 Q924	D790-K810 IonicContact OD1-NZ 2.61Å; D790-K810 PolarHBondContact OD1-NZ 2.82Å; D790-Q814 PolarHBondContact OD1-OE1 2.59Å; D790-W850 WeakPolarHBondContact OD1-CH2 3.5Å; D790-W871 WeakPolarHBondContact O-CZ2 3.46Å; D790-W871 PolarHBondContact O-NE1 2.82Å; D790-S923 WeakPolarHBondContact CB-O 3.06Å; D790-S923 WeakPolarHBondContact OD2-CB 3.47Å; D790-S923 PolarHBondContact OD2-OG 2.82Å; D790-Q924 HydrophobicContact CB-CB 3.98Å
791	Y	96.9	Very high	96	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	136.1	-168.1	-85	-70	0	0	0	112.2	M808 K810 A826 Q831 W850 F922	Y791-M808 HydrophobicContact CD1-CB 3.9Å; Y791-M808 HydrophobicContact CD1-CG 4.08Å; Y791-M808 HydrophobicContact CD1-SD 4.07Å; Y791-M808 HydrophobicContact CE1-CB 4.28Å; Y791-M808 HydrophobicContact CE1-CG 3.95Å; Y791-M808 HydrophobicContact CE1-SD 3.8Å; Y791-K810 HydrophobicContact CD1-CB 3.71Å; Y791-K810 HydrophobicContact CD2-CB 4.46Å; Y791-K810 HydrophobicContact CD2-CD 4.2Å; Y791-K810 HydrophobicContact CE1-CB 3.59Å; Y791-K810 HydrophobicContact CE2-CB 4.37Å; Y791-K810 HydrophobicContact CE2-CD 3.95Å; Y791-K810 HydrophobicContact CG-CB 4.16Å; Y791-A826 HydrophobicContact CE2-CB 3.66Å; Y791-A826 VanDerWaalsContact OH-CB 3.25Å; Y791-A826 WeakPolarHBondContact OH-CB 3.13Å; Y791-Q831 PolarHBondContact OH-NE2 3.44Å; Y791-Q831 VanDerWaalsContact OH-NE2 3.09Å; Y791-W850 HydrophobicContact CD2-CD2 4.37Å; Y791-W850 HydrophobicContact CD2-CE3 4.08Å; Y791-W850 HydrophobicContact CD2-CZ3 4.42Å; Y791-W850 HydrophobicContact CE2-CD2 4.12Å; Y791-W850 HydrophobicContact CE2-CE3 4.3Å; Y791-W850 HydrophobicContact CE2-CG 4.29Å; Y791-W850 PolarHBondContact OH-O 3.17Å; Y791-F922 PolarHBondContact N-O 3.49Å; Y791-F922 PolarHBondContact O-N 3.39Å
792	A	97.4	Very high	95.9	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	161.4	166.1	0	0	0	0	0	110.1	F781 W809 F920 I927 W929	F781-A792 HydrophobicContact CE2-CB 3.46Å; F781-A792 VanDerWaalsContact CE2-CB 3.46Å; F781-A792 HydrophobicContact CZ-CB 3.91Å; A792-W809 PolarHBondContact N-O 3.21Å; A792-W809 PolarHBondContact O-N 3.46Å; A792-F920 CarbonylContact C-O 3.52Å; A792-F920 WeakPolarHBondContact CA-O 3.45Å; A792-I927 HydrophobicContact CB-CD1 3.58Å; A792-I927 HydrophobicContact CB-CG1 4.08Å; A792-I927 HydrophobicContact CB-CG2 4.08Å; A792-W929 HydrophobicContact CB-CZ2 4.44Å
793	G	97.4	Very high	95.9	Very high	8 Å²	8	21.4 Å²	21.4	8%	0.082	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.4	-151.2	177.7	0	0	0	0	0	112.9	V807 F920 W929	G793-V807 CarbonylContact C-O 3.52Å; G793-V807 VanDerWaalsContact CA-O 3.23Å; G793-V807 WeakPolarHBondContact CA-O 3.45Å; G793-F920 PolarHBondContact N-O 3.06Å; G793-F920 PolarHBondContact O-N 3.22Å; G793-W929 PolarHBondContact O-NE1 3.24Å
794	F	98.4	Very high	95.9	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.018	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	165.2	-177.5	66.4	-89.9	0	0	0	110.4	F777 F796 V807 W879 L881 V892 G918	F777-F794 AromaticContact CD1-CD2 3.88Å; F777-F794 HydrophobicContact CD1-CD2 3.88Å; F777-F794 HydrophobicContact CD1-CE2 4.29Å; F777-F794 HydrophobicContact CE1-CB 4.07Å; F777-F794 AromaticContact CE1-CD2 3.82Å; F777-F794 HydrophobicContact CE1-CD2 3.82Å; F777-F794 HydrophobicContact CE1-CG 4.14Å; F794-F796 HydrophobicContact CE2-CD1 4.33Å; F794-V807 HydrophobicContact CD1-CB 4.15Å; F794-V807 HydrophobicContact CD1-CG1 4.43Å; F794-V807 HydrophobicContact CD2-CB 4.44Å; F794-V807 HydrophobicContact CE1-CB 3.71Å; F794-V807 HydrophobicContact CE1-CG1 3.74Å; F794-V807 HydrophobicContact CE1-CG2 4.19Å; F794-V807 HydrophobicContact CE2-CB 4.03Å; F794-V807 HydrophobicContact CE2-CG2 3.81Å; F794-V807 HydrophobicContact CG-CB 4.49Å; F794-V807 HydrophobicContact CZ-CB 3.65Å; F794-V807 HydrophobicContact CZ-CG1 3.96Å; F794-V807 HydrophobicContact CZ-CG2 3.6Å; F794-V807 PolarHBondContact N-O 3.16Å; F794-V807 PolarHBondContact O-N 3.24Å; F794-V807 VanDerWaalsContact O-O 3.13Å; F794-W879 HydrophobicContact CB-CZ2 4.41Å; F794-W879 AromaticContact CD1-CD1 3.88Å; F794-W879 AromaticContact CD1-CD2 3.64Å; F794-W879 HydrophobicContact CD1-CD2 3.64Å; F794-W879 AromaticContact CD1-CE2 3.63Å; F794-W879 HydrophobicContact CD1-CE3 4.2Å; F794-W879 AromaticContact CD1-CG 3.83Å; F794-W879 HydrophobicContact CD1-CG 3.83Å; F794-W879 HydrophobicContact CD1-CZ2 4.22Å; F794-W879 AromaticContact CD1-NE1 3.75Å; F794-W879 HydrophobicContact CE1-CB 3.79Å; F794-W879 AromaticContact CE1-CD1 3.35Å; F794-W879 AromaticContact CE1-CD2 3.66Å; F794-W879 HydrophobicContact CE1-CD2 3.66Å; F794-W879 AromaticContact CE1-CE2 3.93Å; F794-W879 HydrophobicContact CE1-CE3 4.45Å; F794-W879 AromaticContact CE1-CG 3.3Å; F794-W879 HydrophobicContact CE1-CG 3.3Å; F794-W879 AromaticContact CE1-NE1 3.71Å; F794-W879 HydrophobicContact CG-CD2 4.5Å; F794-W879 HydrophobicContact CG-CZ2 4.38Å; F794-W879 AromaticContact CG-NE1 3.99Å; F794-W879 HydrophobicContact CZ-CB 4.34Å; F794-W879 AromaticContact CZ-CD1 3.47Å; F794-W879 VanDerWaalsContact CZ-CD1 3.47Å; F794-W879 AromaticContact CZ-CG 3.87Å; F794-W879 HydrophobicContact CZ-CG 3.87Å; F794-W879 AromaticContact CZ-NE1 3.91Å; F794-L881 HydrophobicContact CE2-CB 4.05Å; F794-L881 HydrophobicContact CE2-CD2 4.15Å; F794-L881 HydrophobicContact CZ-CB 4.31Å; F794-V892 HydrophobicContact CZ-CG1 4.42Å; F794-G918 WeakPolarHBondContact CA-O 3.43Å; F794-G918 WeakPolarHBondContact CB-O 3.35Å
795	L	97.8	Very high	96.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	159	-178.4	68.3	84.5	0	0	0	110.9	L765 V767 Y798 F804 Y805 G918	L765-L795 HydrophobicContact CB-CD2 3.86Å; L765-L795 HydrophobicContact CD1-CD2 3.73Å; L765-L795 HydrophobicContact CD2-CD2 3.6Å; L765-L795 HydrophobicContact CG-CD2 3.91Å; V767-L795 HydrophobicContact CG2-CD1 4.39Å; V767-L795 HydrophobicContact CG2-CD2 4.18Å; L795-Y798 HydrophobicContact CD1-CD2 4.34Å; L795-Y798 HydrophobicContact CD1-CG 4.38Å; L795-F804 HydrophobicContact CB-CD2 4.38Å; L795-Y805 WeakPolarHBondContact CA-O 3.12Å; L795-Y805 VanDerWaalsContact CB-O 3.27Å; L795-Y805 WeakPolarHBondContact CB-O 3.47Å; L795-G918 PolarHBondContact N-O 3.01Å; L795-G918 PolarHBondContact O-N 3.19Å
796	F	98.3	Very high	96.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	157.3	178	64	-85.2	0	0	0	110.4	F794 Y798 Y805 V807 L832 L881 H883 I890 R916 L917	F794-F796 HydrophobicContact CE2-CD1 4.33Å; F796-Y798 PolarHBondContact O-N 1.98Å; F796-Y805 AromaticContact CD2-CD2 3.78Å; F796-Y805 HydrophobicContact CD2-CD2 3.78Å; F796-Y805 HydrophobicContact CD2-CG 4.17Å; F796-Y805 VanDerWaalsContact CE1-CB 3.43Å; F796-Y805 HydrophobicContact CE1-CG 4.32Å; F796-Y805 VanDerWaalsContact CE2-CB 3.45Å; F796-Y805 AromaticContact CE2-CD2 3.33Å; F796-Y805 HydrophobicContact CE2-CD2 3.33Å; F796-Y805 HydrophobicContact CE2-CE2 4.24Å; F796-Y805 AromaticContact CE2-CG 3.54Å; F796-Y805 HydrophobicContact CE2-CG 3.54Å; F796-Y805 HydrophobicContact CZ-CD1 4.38Å; F796-Y805 AromaticContact CZ-CD2 3.95Å; F796-Y805 HydrophobicContact CZ-CD2 3.95Å; F796-Y805 AromaticContact CZ-CG 3.63Å; F796-Y805 HydrophobicContact CZ-CG 3.63Å; F796-Y805 PolarHBondContact N-O 3Å; F796-Y805 WeakPolarHBondContact O-CB 3.4Å; F796-Y805 PolarHBondContact O-N 2.95Å; F796-V807 HydrophobicContact CE1-CG2 4.09Å; F796-L832 HydrophobicContact CE1-CD1 3.78Å; F796-L832 HydrophobicContact CZ-CD1 3.88Å; F796-L881 HydrophobicContact CB-CD2 3.53Å; F796-L881 HydrophobicContact CD1-CD1 4.04Å; F796-L881 HydrophobicContact CD1-CD2 3.49Å; F796-L881 VanDerWaalsContact CD1-CD2 3.49Å; F796-L881 HydrophobicContact CD1-CG 4.42Å; F796-L881 HydrophobicContact CD2-CD2 3.88Å; F796-L881 HydrophobicContact CE1-CD1 3.76Å; F796-L881 HydrophobicContact CE1-CD2 4.09Å; F796-L881 HydrophobicContact CE2-CD1 4.28Å; F796-L881 HydrophobicContact CE2-CD2 4.43Å; F796-L881 HydrophobicContact CG-CD1 4.42Å; F796-L881 HydrophobicContact CG-CD2 3.35Å; F796-L881 HydrophobicContact CZ-CD1 3.88Å; F796-H883 HydrophobicContact CD2-CB 4.32Å; F796-H883 AromaticContact CD2-CD2 3.55Å; F796-H883 AromaticContact CD2-CG 3.88Å; F796-H883 AromaticContact CD2-NE2 3.96Å; F796-H883 HydrophobicContact CE2-CB 4.39Å; F796-H883 AromaticContact CE2-CD2 3.8Å; F796-H883 AromaticContact CE2-CG 3.82Å; F796-H883 AromaticContact CE2-ND1 3.98Å; F796-H883 AromaticContact CE2-NE2 3.91Å; F796-I890 HydrophobicContact CE2-CD1 4.19Å; F796-I890 HydrophobicContact CE2-CG1 4.19Å; F796-I890 HydrophobicContact CE2-CG2 4.36Å; F796-I890 HydrophobicContact CZ-CD1 4.21Å; F796-I890 HydrophobicContact CZ-CG1 4.34Å; F796-I890 HydrophobicContact CZ-CG2 3.81Å; F796-R916 CarbonylContact C-O 3.36Å; F796-L917 HydrophobicContact CB-CD2 3.56Å
797	S	97.3	Very high	96.5	Very high	3 Å²	3	14 Å²	14	2%	0.021	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	51.9	45.9	-173.6	-55.8	0	0	0	0	111.8	Q799 H883 G914 R916	S797-Q799 PolarHBondContact O-N 3.06Å; S797-H883 PolarHBondContact OG-CD2 2.86Å; S797-H883 PolarHBondContact OG-NE2 2.72Å; S797-G914 VanDerWaalsContact CA-O 3.31Å; S797-G914 WeakPolarHBondContact CA-O 3.44Å; S797-G914 WeakPolarHBondContact CB-O 3.34Å; S797-R916 PolarHBondContact N-O 3.4Å
798	Y	98.2	Very high	96.7	Very high	1 Å²	1	11.1 Å²	11.1	0%	0.004	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	121.6	169	-177.2	-80.6	0	0	0	109.1	S614 V732 L765 V767 L795 F796 D800 S801 F804 R916	S614-Y798 PolarHBondContact O-OH 2.82Å; V732-Y798 HydrophobicContact CG2-CE2 4.44Å; V732-Y798 WeakPolarHBondContact CG2-OH 3.38Å; L765-Y798 HydrophobicContact CD1-CD2 3.93Å; L765-Y798 HydrophobicContact CD1-CE2 3.53Å; V767-Y798 HydrophobicContact CG1-CD1 3.9Å; V767-Y798 HydrophobicContact CG1-CG 3.92Å; V767-Y798 HydrophobicContact CG2-CD2 4.09Å; V767-Y798 HydrophobicContact CG2-CE2 4.27Å; V767-Y798 HydrophobicContact CG2-CG 4.22Å; L795-Y798 HydrophobicContact CD1-CD2 4.34Å; L795-Y798 HydrophobicContact CD1-CG 4.38Å; F796-Y798 PolarHBondContact O-N 1.98Å; Y798-D800 WeakPolarHBondContact CE2-O 3.29Å; Y798-D800 VanDerWaalsContact CZ-C 3.4Å; Y798-S801 WeakPolarHBondContact OH-CA 3.2Å; Y798-S801 PolarHBondContact OH-N 3.05Å; Y798-S801 VanDerWaalsContact OH-N 3.1Å; Y798-F804 HydrophobicContact CD2-CB 3.82Å; Y798-F804 HydrophobicContact CD2-CD1 4.05Å; Y798-F804 HydrophobicContact CD2-CG 4.06Å; Y798-F804 HydrophobicContact CE2-CD1 4.18Å; Y798-F804 HydrophobicContact CG-CB 4.35Å; Y798-R916 PolarHBondContact N-O 2.84Å; Y798-R916 PolarHBondContact O-N 3.41Å
799	Q	96.2	Very high	97	Very high	11 Å²	11	9.1 Å²	9.1	5%	0.051	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-61.8	173.4	-58.8	177.8	-36.4	0	0	106.7	G629 D630 G631 S797 R803	G629-Q799 PolarHBondContact O-NE2 2.9Å; D630-Q799 PolarHBondContact O-NE2 2.89Å; G631-Q799 VanDerWaalsContact N-NE2 3.13Å; S797-Q799 PolarHBondContact O-N 3.06Å; Q799-R803 HydrophobicContact CB-CB 4.28Å; Q799-R803 PolarHBondContact N-O 2.84Å
800	D	95.6	Very high	97.1	Very high	15 Å²	15	7.2 Å²	7.2	8%	0.08	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	173.9	176.6	64.9	71.4	0	0	0	111	D613 D615 Y798 G802 R803	D613-D800 HydrophobicContact CB-CB 4.2Å; D615-D800 HydrophobicContact CB-CB 3.74Å; Y798-D800 WeakPolarHBondContact CE2-O 3.29Å; Y798-D800 VanDerWaalsContact CZ-C 3.4Å; D800-G802 PolarHBondContact O-N 3.06Å; D800-G802 WeakPolarHBondContact OD1-CA 3.31Å; D800-G802 PolarHBondContact OD1-N 2.93Å; D800-R803 CarbonylContact O-C 3.57Å; D800-R803 PolarHBondContact O-N 3.15Å; D800-R803 WeakPolarHBondContact OD1-CG 3.48Å; D800-R803 PolarHBondContact OD1-N 3.39Å; D800-R803 VanDerWaalsContact OD2-CB 3.26Å; D800-R803 WeakPolarHBondContact OD2-CB 3.26Å; D800-R803 WeakPolarHBondContact OD2-CD 3.26Å; D800-R803 WeakPolarHBondContact OD2-CG 3.45Å
801	S	95.1	Very high	97.1	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-9.1	-177.9	65.6	0	0	0	0	114.3	D613 Y798 F804 P841 L845	D613-S801 VanDerWaalsContact C-OG 3.25Å; D613-S801 WeakPolarHBondContact CA-OG 3.29Å; D613-S801 WeakPolarHBondContact O-CB 3.31Å; D613-S801 PolarHBondContact O-N 2.91Å; D613-S801 PolarHBondContact O-OG 3.09Å; Y798-S801 WeakPolarHBondContact OH-CA 3.2Å; Y798-S801 PolarHBondContact OH-N 3.05Å; Y798-S801 VanDerWaalsContact OH-N 3.1Å; S801-F804 WeakPolarHBondContact O-CE1 3.29Å; S801-P841 VanDerWaalsContact OG-CD 3.22Å; S801-P841 WeakPolarHBondContact OG-CD 3.48Å; S801-P841 WeakPolarHBondContact OG-CG 3.48Å; S801-L845 WeakPolarHBondContact O-CD2 3.35Å
802	G	95.3	Very high	97	Very high	2 Å²	2	11.5 Å²	11.5	2%	0.021	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-12.3	167.6	0	0	0	0	0	114.2	D800 V835 T836 S837	D800-G802 PolarHBondContact O-N 3.06Å; D800-G802 WeakPolarHBondContact OD1-CA 3.31Å; D800-G802 PolarHBondContact OD1-N 2.93Å; G802-V835 CarbonylContact O-C 3.59Å; G802-T836 CarbonylContact O-C 3.51Å; G802-T836 WeakPolarHBondContact O-CA 3.07Å; G802-T836 PolarHBondContact O-N 2.87Å; G802-S837 PolarHBondContact O-N 2.89Å
803	R	96.6	Very high	96.9	Very high	92 Å²	92	17.6 Å²	17.6	35%	0.347	9%	0.085	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	97.1	-173.4	-58	-179.5	73.6	119.7	-5.4	112.8	Q799 D800 V835 S911 M912	Q799-R803 HydrophobicContact CB-CB 4.28Å; Q799-R803 PolarHBondContact N-O 2.84Å; D800-R803 CarbonylContact O-C 3.57Å; D800-R803 PolarHBondContact O-N 3.15Å; D800-R803 WeakPolarHBondContact OD1-CG 3.48Å; D800-R803 PolarHBondContact OD1-N 3.39Å; D800-R803 VanDerWaalsContact OD2-CB 3.26Å; D800-R803 WeakPolarHBondContact OD2-CB 3.26Å; D800-R803 WeakPolarHBondContact OD2-CD 3.26Å; D800-R803 WeakPolarHBondContact OD2-CG 3.45Å; R803-V835 WeakPolarHBondContact CA-O 3.34Å; R803-S911 PolarHBondContact NH2-O 2.9Å; R803-M912 HydrophobicContact CB-CG 4.26Å
804	F	98.1	Very high	96.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	154.5	175.1	58.9	-88	0	0	0	112.3	L734 L765 L795 Y798 S801 V806 V835 L849 M912	L734-F804 HydrophobicContact CD1-CZ 4.21Å; L734-F804 HydrophobicContact CD2-CE1 4.41Å; L734-F804 HydrophobicContact CD2-CZ 4.45Å; L765-F804 HydrophobicContact CD1-CE1 4.42Å; L765-F804 HydrophobicContact CD1-CZ 4.36Å; L795-F804 HydrophobicContact CB-CD2 4.38Å; Y798-F804 HydrophobicContact CD2-CB 3.82Å; Y798-F804 HydrophobicContact CD2-CD1 4.05Å; Y798-F804 HydrophobicContact CD2-CG 4.06Å; Y798-F804 HydrophobicContact CE2-CD1 4.18Å; Y798-F804 HydrophobicContact CG-CB 4.35Å; S801-F804 WeakPolarHBondContact O-CE1 3.29Å; F804-V806 HydrophobicContact CD2-CB 4.05Å; F804-V806 HydrophobicContact CD2-CG1 4.49Å; F804-V806 HydrophobicContact CE2-CB 3.92Å; F804-V806 HydrophobicContact CE2-CG1 4.12Å; F804-V835 HydrophobicContact CD1-CB 4.08Å; F804-V835 HydrophobicContact CD1-CG1 4.26Å; F804-V835 HydrophobicContact CD1-CG2 4.48Å; F804-V835 HydrophobicContact CD2-CB 4.3Å; F804-V835 HydrophobicContact CD2-CG2 3.94Å; F804-V835 HydrophobicContact CE1-CB 3.97Å; F804-V835 HydrophobicContact CE1-CG1 3.8Å; F804-V835 HydrophobicContact CE1-CG2 4.14Å; F804-V835 HydrophobicContact CE2-CB 4.2Å; F804-V835 HydrophobicContact CE2-CG2 3.55Å; F804-V835 HydrophobicContact CG-CB 4.25Å; F804-V835 HydrophobicContact CG-CG2 4.4Å; F804-V835 HydrophobicContact CZ-CB 4.03Å; F804-V835 HydrophobicContact CZ-CG1 4.04Å; F804-V835 HydrophobicContact CZ-CG2 3.67Å; F804-V835 PolarHBondContact N-O 2.86Å; F804-V835 VanDerWaalsContact O-CB 3.31Å; F804-V835 WeakPolarHBondContact O-CB 2.77Å; F804-V835 PolarHBondContact O-N 2.78Å; F804-L849 HydrophobicContact CZ-CD2 4.49Å; F804-M912 VanDerWaalsContact O-CE 3.26Å; F804-M912 WeakPolarHBondContact O-CE 3.24Å
805	Y	98.6	Very high	96.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	141.6	167.8	-64.6	-72.3	0	0	0	109.6	L795 F796 K833 A834 L862 I890 D909 S911 M912	L795-Y805 WeakPolarHBondContact CA-O 3.12Å; L795-Y805 VanDerWaalsContact CB-O 3.27Å; L795-Y805 WeakPolarHBondContact CB-O 3.47Å; F796-Y805 AromaticContact CD2-CD2 3.78Å; F796-Y805 HydrophobicContact CD2-CD2 3.78Å; F796-Y805 HydrophobicContact CD2-CG 4.17Å; F796-Y805 VanDerWaalsContact CE1-CB 3.43Å; F796-Y805 HydrophobicContact CE1-CG 4.32Å; F796-Y805 VanDerWaalsContact CE2-CB 3.45Å; F796-Y805 AromaticContact CE2-CD2 3.33Å; F796-Y805 HydrophobicContact CE2-CD2 3.33Å; F796-Y805 HydrophobicContact CE2-CE2 4.24Å; F796-Y805 AromaticContact CE2-CG 3.54Å; F796-Y805 HydrophobicContact CE2-CG 3.54Å; F796-Y805 HydrophobicContact CZ-CD1 4.38Å; F796-Y805 AromaticContact CZ-CD2 3.95Å; F796-Y805 HydrophobicContact CZ-CD2 3.95Å; F796-Y805 AromaticContact CZ-CG 3.63Å; F796-Y805 HydrophobicContact CZ-CG 3.63Å; F796-Y805 PolarHBondContact N-O 3Å; F796-Y805 WeakPolarHBondContact O-CB 3.4Å; F796-Y805 PolarHBondContact O-N 2.95Å; Y805-K833 WeakPolarHBondContact CA-O 3.46Å; Y805-A834 HydrophobicContact CD1-CB 3.76Å; Y805-A834 HydrophobicContact CE1-CB 3.59Å; Y805-L862 HydrophobicContact CD1-CD1 3.95Å; Y805-L862 HydrophobicContact CE1-CD1 3.87Å; Y805-I890 HydrophobicContact CD1-CD1 4.27Å; Y805-I890 HydrophobicContact CE1-CD1 3.99Å; Y805-I890 HydrophobicContact CE2-CD1 4.29Å; Y805-D909 HydrophobicContact CE1-CB 4.22Å; Y805-D909 VanDerWaalsContact CE1-OD1 3.27Å; Y805-D909 WeakPolarHBondContact CE1-OD1 3.21Å; Y805-D909 PolarHBondContact OH-OD1 3.22Å; Y805-S911 PolarHBondContact OH-N 2.65Å; Y805-M912 HydrophobicContact CD1-CE 3.47Å; Y805-M912 VanDerWaalsContact CD1-CE 3.47Å; Y805-M912 HydrophobicContact CD2-CB 4.38Å; Y805-M912 HydrophobicContact CD2-CE 3.53Å; Y805-M912 HydrophobicContact CE1-CE 3.46Å; Y805-M912 VanDerWaalsContact CE1-CE 3.46Å; Y805-M912 HydrophobicContact CE1-SD 4.35Å; Y805-M912 HydrophobicContact CE2-CB 3.76Å; Y805-M912 HydrophobicContact CE2-CE 3.52Å; Y805-M912 HydrophobicContact CE2-CG 4.43Å; Y805-M912 HydrophobicContact CE2-SD 4.19Å; Y805-M912 HydrophobicContact CG-CE 3.48Å; Y805-M912 VanDerWaalsContact CG-CE 3.48Å; Y805-M912 VanDerWaalsContact CZ-CE 3.46Å; Y805-M912 PolarHBondContact OH-N 3.25Å
806	V	98.4	Very high	96.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.7	178.5	59.7	0	0	0	0	110.6	F804 M808 K833 V835 L849 F920	F804-V806 HydrophobicContact CD2-CB 4.05Å; F804-V806 HydrophobicContact CD2-CG1 4.49Å; F804-V806 HydrophobicContact CE2-CB 3.92Å; F804-V806 HydrophobicContact CE2-CG1 4.12Å; V806-M808 HydrophobicContact CB-CE 4.36Å; V806-M808 HydrophobicContact CG1-CE 3.59Å; V806-M808 HydrophobicContact CG2-CB 4.34Å; V806-M808 HydrophobicContact CG2-CE 3.81Å; V806-K833 HydrophobicContact CG1-CB 3.93Å; V806-K833 PolarHBondContact N-O 3.3Å; V806-K833 PolarHBondContact O-N 2.85Å; V806-V835 HydrophobicContact CG1-CG2 3.99Å; V806-L849 HydrophobicContact CG1-CD2 4.23Å; V806-F920 HydrophobicContact CG2-CB 4.28Å; V806-F920 HydrophobicContact CG2-CD1 3.94Å; V806-F920 HydrophobicContact CG2-CE1 4.44Å; V806-F920 HydrophobicContact CG2-CG 3.99Å
807	V	98.4	Very high	95.8	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	116.8	166.9	179.4	0	0	0	0	106.7	G793 F794 F796 L830 Q831 L832 V892	G793-V807 CarbonylContact C-O 3.52Å; G793-V807 VanDerWaalsContact CA-O 3.23Å; G793-V807 WeakPolarHBondContact CA-O 3.45Å; F794-V807 HydrophobicContact CD1-CB 4.15Å; F794-V807 HydrophobicContact CD1-CG1 4.43Å; F794-V807 HydrophobicContact CD2-CB 4.44Å; F794-V807 HydrophobicContact CE1-CB 3.71Å; F794-V807 HydrophobicContact CE1-CG1 3.74Å; F794-V807 HydrophobicContact CE1-CG2 4.19Å; F794-V807 HydrophobicContact CE2-CB 4.03Å; F794-V807 HydrophobicContact CE2-CG2 3.81Å; F794-V807 HydrophobicContact CG-CB 4.49Å; F794-V807 HydrophobicContact CZ-CB 3.65Å; F794-V807 HydrophobicContact CZ-CG1 3.96Å; F794-V807 HydrophobicContact CZ-CG2 3.6Å; F794-V807 PolarHBondContact N-O 3.16Å; F794-V807 PolarHBondContact O-N 3.24Å; F794-V807 VanDerWaalsContact O-O 3.13Å; F796-V807 HydrophobicContact CE1-CG2 4.09Å; V807-L830 HydrophobicContact CG1-CD1 3.5Å; V807-L830 HydrophobicContact CG1-CD2 4.38Å; V807-L830 HydrophobicContact CG1-CG 3.98Å; V807-Q831 CarbonylContact C-O 3.54Å; V807-Q831 WeakPolarHBondContact CA-O 3.27Å; V807-L832 HydrophobicContact CG2-CD1 3.66Å; V807-V892 HydrophobicContact CG1-CG1 4.34Å; V807-V892 HydrophobicContact CG2-CG1 4.48Å; V807-V892 HydrophobicContact CG2-CG2 3.87Å
808	M	97.1	Very high	95.3	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148	-176.9	59.4	175.6	63.4	0	0	110.9	Y791 V806 Q831 K833 L849 F920	Y791-M808 HydrophobicContact CD1-CB 3.9Å; Y791-M808 HydrophobicContact CD1-CG 4.08Å; Y791-M808 HydrophobicContact CD1-SD 4.07Å; Y791-M808 HydrophobicContact CE1-CB 4.28Å; Y791-M808 HydrophobicContact CE1-CG 3.95Å; Y791-M808 HydrophobicContact CE1-SD 3.8Å; V806-M808 HydrophobicContact CB-CE 4.36Å; V806-M808 HydrophobicContact CG1-CE 3.59Å; V806-M808 HydrophobicContact CG2-CB 4.34Å; V806-M808 HydrophobicContact CG2-CE 3.81Å; M808-Q831 HydrophobicContact CG-CB 4.05Å; M808-Q831 PolarHBondContact N-O 2.93Å; M808-Q831 PolarHBondContact O-N 3.47Å; M808-K833 HydrophobicContact CE-CD 4.09Å; M808-K833 HydrophobicContact SD-CD 3.9Å; M808-K833 VanDerWaalsContact SD-CE 3.57Å; M808-K833 PolarHBondContact SD-NZ 3.13Å; M808-L849 HydrophobicContact CE-CB 4.38Å; M808-L849 HydrophobicContact CE-CD2 3.81Å; M808-L849 VanDerWaalsContact SD-O 3.34Å; M808-F920 HydrophobicContact CB-CD1 4.05Å; M808-F920 HydrophobicContact CB-CE1 3.86Å; M808-F920 HydrophobicContact CE-CE1 3.86Å; M808-F920 HydrophobicContact CE-CZ 4.06Å
809	W	97.6	Very high	94.8	Very high	11 Å²	11	33.6 Å²	33.6	4%	0.042	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	125.6	-176.4	-160.2	8.7	0	0	0	111.1	F781 A792 G829 L830 V869 W871 Y877 L894	F781-W809 AromaticContact CD1-CE3 3.87Å; F781-W809 HydrophobicContact CD1-CE3 3.87Å; F781-W809 AromaticContact CD1-CZ3 3.91Å; F781-W809 HydrophobicContact CD1-CZ3 3.91Å; F781-W809 AromaticContact CE1-CE3 3.74Å; F781-W809 HydrophobicContact CE1-CE3 3.74Å; F781-W809 HydrophobicContact CE1-CZ3 4.01Å; A792-W809 PolarHBondContact N-O 3.21Å; A792-W809 PolarHBondContact O-N 3.46Å; W809-G829 VanDerWaalsContact CD1-O 3.32Å; W809-L830 HydrophobicContact CB-CD1 3.9Å; W809-L830 VanDerWaalsContact CD1-N 3.31Å; W809-L830 HydrophobicContact CD2-CD1 4.34Å; W809-L830 HydrophobicContact CG-CB 4.49Å; W809-L830 HydrophobicContact CG-CD1 4.05Å; W809-V869 PolarHBondContact NE1-O 3.35Å; W809-W871 HydrophobicContact CD2-CB 3.86Å; W809-W871 AromaticContact CD2-CD1 3.92Å; W809-W871 HydrophobicContact CD2-CG 4.32Å; W809-W871 HydrophobicContact CE3-CB 3.71Å; W809-W871 HydrophobicContact CE3-CG 4.38Å; W809-W871 AromaticContact CG-CD1 3.83Å; W809-W871 HydrophobicContact CH2-CB 3.72Å; W809-W871 HydrophobicContact CZ2-CB 3.89Å; W809-W871 HydrophobicContact CZ3-CB 3.63Å; W809-W871 PolarHBondContact O-NE1 2.84Å; W809-W871 VanDerWaalsContact O-NE1 3.13Å; W809-Y877 AromaticContact CH2-CD1 3.69Å; W809-Y877 HydrophobicContact CH2-CD1 3.69Å; W809-Y877 AromaticContact CH2-CD2 3.96Å; W809-Y877 HydrophobicContact CH2-CD2 3.96Å; W809-Y877 AromaticContact CH2-CE1 3.58Å; W809-Y877 HydrophobicContact CH2-CE1 3.58Å; W809-Y877 AromaticContact CH2-CE2 3.84Å; W809-Y877 HydrophobicContact CH2-CE2 3.84Å; W809-Y877 AromaticContact CH2-CG 3.88Å; W809-Y877 HydrophobicContact CH2-CG 3.88Å; W809-Y877 AromaticContact CH2-CZ 3.64Å; W809-Y877 AromaticContact CZ3-CD1 3.93Å; W809-Y877 HydrophobicContact CZ3-CD1 3.93Å; W809-Y877 AromaticContact CZ3-CD2 3.62Å; W809-Y877 HydrophobicContact CZ3-CD2 3.62Å; W809-Y877 HydrophobicContact CZ3-CE1 4.2Å; W809-Y877 AromaticContact CZ3-CE2 3.89Å; W809-Y877 HydrophobicContact CZ3-CE2 3.89Å; W809-Y877 AromaticContact CZ3-CG 3.63Å; W809-Y877 HydrophobicContact CZ3-CG 3.63Å; W809-L894 HydrophobicContact CE3-CD2 4.13Å; W809-L894 HydrophobicContact CH2-CD2 3.61Å; W809-L894 HydrophobicContact CZ2-CD2 4.06Å; W809-L894 HydrophobicContact CZ3-CD1 4.49Å; W809-L894 HydrophobicContact CZ3-CD2 3.64Å
810	K	95.8	Very high	94.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	148.2	175.2	-170.6	170.7	168.9	51.6	0	111.5	D789 D790 Y791 T812 Q814 A826 P828 G829 G870	D789-K810 WeakPolarHBondContact O-CG 3.42Å; D789-K810 PolarHBondContact O-NZ 3.06Å; D789-K810 IonicContact OD1-NZ 2.84Å; D789-K810 PolarHBondContact OD1-NZ 3.45Å; D790-K810 IonicContact OD1-NZ 2.61Å; D790-K810 PolarHBondContact OD1-NZ 2.82Å; Y791-K810 HydrophobicContact CD1-CB 3.71Å; Y791-K810 HydrophobicContact CD2-CB 4.46Å; Y791-K810 HydrophobicContact CD2-CD 4.2Å; Y791-K810 HydrophobicContact CE1-CB 3.59Å; Y791-K810 HydrophobicContact CE2-CB 4.37Å; Y791-K810 HydrophobicContact CE2-CD 3.95Å; Y791-K810 HydrophobicContact CG-CB 4.16Å; K810-T812 VanDerWaalsContact CD-O 3.28Å; K810-T812 WeakPolarHBondContact CD-O 3.45Å; K810-T812 WeakPolarHBondContact CE-O 3.48Å; K810-T812 WeakPolarHBondContact CG-O 3.45Å; K810-Q814 VanDerWaalsContact CE-CB 3.5Å; K810-A826 HydrophobicContact CD-CB 3.66Å; K810-P828 WeakPolarHBondContact O-CA 3.4Å; K810-G829 PolarHBondContact O-N 2.94Å; K810-G870 WeakPolarHBondContact O-CA 3.28Å
811	Q	95.9	Very high	94.3	Very high	44 Å²	44	38.5 Å²	38.5	21%	0.206	20%	0.198	C	C	.	.	S	Bend	trans	-78.3	-49.1	179	175.9	177.8	89.9	0	0	113.3	D789 P828 G870 W871 D873	D789-Q811 HydrophobicContact CB-CB 3.98Å; D789-Q811 HydrophobicContact CB-CG 4.29Å; D789-Q811 PolarHBondContact O-N 2.82Å; Q811-P828 VanDerWaalsContact O-CB 3.25Å; Q811-P828 WeakPolarHBondContact O-CB 3.48Å; Q811-G870 WeakPolarHBondContact O-CA 3.5Å; Q811-W871 HydrophobicContact CB-CD2 3.68Å; Q811-W871 VanDerWaalsContact CB-CE2 3.47Å; Q811-W871 HydrophobicContact CB-CE3 3.98Å; Q811-W871 HydrophobicContact CB-CG 4.28Å; Q811-W871 HydrophobicContact CB-CH2 3.84Å; Q811-W871 HydrophobicContact CB-CZ2 3.56Å; Q811-W871 HydrophobicContact CB-CZ3 4.05Å; Q811-W871 HydrophobicContact CG-CD2 4.45Å; Q811-W871 HydrophobicContact CG-CE3 4.34Å; Q811-W871 HydrophobicContact CG-CZ3 4.37Å; Q811-W871 WeakPolarHBondContact CG-O 3.42Å; Q811-W871 PolarHBondContact NE2-O 3.39Å; Q811-D873 PolarHBondContact NE2-OD1 3.38Å
812	T	94.6	Very high	94.3	Very high	48 Å²	48	41.2 Å²	41.2	29%	0.294	21%	0.21	S	C	.	.	S	Bend	trans	-122.3	172.8	-177.8	79.2	0	0	0	0	113.1	D789 K810	D789-T812 HydrophobicContact CB-CG2 3.93Å; D789-T812 PolarHBondContact OD1-OG1 2.78Å; D789-T812 WeakPolarHBondContact OD2-CG2 3.24Å; D789-T812 PolarHBondContact OD2-OG1 3.08Å; K810-T812 VanDerWaalsContact CD-O 3.28Å; K810-T812 WeakPolarHBondContact CD-O 3.45Å; K810-T812 WeakPolarHBondContact CE-O 3.48Å; K810-T812 WeakPolarHBondContact CG-O 3.45Å
813	E	94.9	Very high	94.2	Very high	129 Å²	129	49 Å²	49	60%	0.603	24%	0.239	S	C	*	.			trans	-85	127.2	174.7	-171.7	-175.9	173.3	0	0	110.3	A826	E813-A826 WeakPolarHBondContact CA-O 3.37Å; E813-A826 VanDerWaalsContact CG-O 3.26Å; E813-A826 WeakPolarHBondContact CG-O 3.36Å
814	Q	93.9	Very high	94.2	Very high	60 Å²	60	44.6 Å²	44.6	28%	0.28	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	139.1	-179.6	-169.2	-178.3	-0.1	0	0	112.1	D789 D790 K810 A826 W850	D789-Q814 PolarHBondContact OD1-OE1 2.91Å; D790-Q814 PolarHBondContact OD1-OE1 2.59Å; K810-Q814 VanDerWaalsContact CE-CB 3.5Å; Q814-A826 PolarHBondContact N-O 3.44Å; Q814-A826 PolarHBondContact O-N 2.96Å; Q814-W850 HydrophobicContact CB-CZ2 4.12Å; Q814-W850 HydrophobicContact CG-CZ2 4.05Å; Q814-W850 PolarHBondContact O-NE1 3.24Å; Q814-W850 VanDerWaalsContact O-NE1 3.14Å
815	T	94.1	Very high	94.1	Very high	54 Å²	54	46.4 Å²	46.4	33%	0.331	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	130.3	166	-56.1	0	0	0	0	108.3	W817 R823 A824 V825	T815-W817 PolarHBondContact O-N 2.91Å; T815-R823 HydrophobicContact CG2-CG 3.82Å; T815-A824 WeakPolarHBondContact CA-O 3.17Å; T815-A824 WeakPolarHBondContact CG2-O 3.39Å; T815-V825 HydrophobicContact CG2-CG2 4.24Å
816	Y	91.9	Very high	93.9	Very high	6 Å²	6	46.4 Å²	46.4	2%	0.024	23%	0.233	C	C	.	.			trans	-56.7	139.8	175.1	-166.8	-122.6	0	0	0	110.4	Q818 A824 R846 W850 F922	Y816-Q818 VanDerWaalsContact C-N 3.31Å; Y816-Q818 HydrophobicContact CD1-CB 3.9Å; Y816-Q818 WeakPolarHBondContact CD1-O 3.46Å; Y816-Q818 HydrophobicContact CE1-CB 3.67Å; Y816-Q818 HydrophobicContact CE1-CG 4.28Å; Y816-Q818 VanDerWaalsContact CE1-OE1 3.25Å; Y816-Q818 PolarHBondContact O-N 2.68Å; Y816-Q818 PolarHBondContact OH-OE1 3.16Å; Y816-A824 PolarHBondContact N-O 2.75Å; Y816-R846 HydrophobicContact CE1-CG 4.35Å; Y816-R846 VanDerWaalsContact CE1-NE 3.32Å; Y816-R846 WeakPolarHBondContact OH-CD 3.34Å; Y816-W850 AromaticContact CD2-CD2 3.47Å; Y816-W850 HydrophobicContact CD2-CD2 3.47Å; Y816-W850 VanDerWaalsContact CD2-CD2 3.47Å; Y816-W850 AromaticContact CD2-CE2 3.81Å; Y816-W850 AromaticContact CD2-CE3 3.45Å; Y816-W850 HydrophobicContact CD2-CE3 3.45Å; Y816-W850 VanDerWaalsContact CD2-CE3 3.45Å; Y816-W850 HydrophobicContact CD2-CG 4.02Å; Y816-W850 HydrophobicContact CD2-CH2 4.02Å; Y816-W850 HydrophobicContact CD2-CZ2 4.09Å; Y816-W850 AromaticContact CD2-CZ3 3.73Å; Y816-W850 HydrophobicContact CD2-CZ3 3.73Å; Y816-W850 HydrophobicContact CE2-CD2 4.35Å; Y816-W850 AromaticContact CE2-CE3 3.9Å; Y816-W850 HydrophobicContact CE2-CE3 3.9Å; Y816-W850 HydrophobicContact CE2-CZ3 4.03Å; Y816-W850 HydrophobicContact CG-CD2 4.02Å; Y816-W850 HydrophobicContact CG-CE3 4.39Å; Y816-W850 HydrophobicContact CG-CG 4.11Å; Y816-F922 HydrophobicContact CD2-CZ 4.47Å; Y816-F922 HydrophobicContact CE2-CE1 4.01Å; Y816-F922 AromaticContact CE2-CZ 3.82Å; Y816-F922 HydrophobicContact CE2-CZ 3.82Å
817	W	87.9	Confident	93.8	Very high	137 Å²	137	50.1 Å²	50.1	52%	0.519	25%	0.251	S	S	.	.	S	Bend	trans	-68.8	-30.3	-171.5	57.5	90.1	0	0	0	112.6	T815 W850	T815-W817 PolarHBondContact O-N 2.91Å; W817-W850 HydrophobicContact CZ3-CH2 4.1Å; W817-W850 HydrophobicContact CZ3-CZ3 4.28Å
818	Q	86.3	Confident	93.7	Very high	27 Å²	27	50.9 Å²	50.9	13%	0.126	26%	0.256	C	S	.	.			trans	-86	116.3	171.5	-69.8	162.5	-21.9	0	0	110.5	D739 Y816 T820 R846 N847	D739-Q818 PolarHBondContact OD2-NE2 3.36Å; Y816-Q818 VanDerWaalsContact C-N 3.31Å; Y816-Q818 HydrophobicContact CD1-CB 3.9Å; Y816-Q818 WeakPolarHBondContact CD1-O 3.46Å; Y816-Q818 HydrophobicContact CE1-CB 3.67Å; Y816-Q818 HydrophobicContact CE1-CG 4.28Å; Y816-Q818 VanDerWaalsContact CE1-OE1 3.25Å; Y816-Q818 PolarHBondContact O-N 2.68Å; Y816-Q818 PolarHBondContact OH-OE1 3.16Å; Q818-T820 VanDerWaalsContact C-N 3.29Å; Q818-R846 VanDerWaalsContact OE1-NH2 3.08Å; Q818-N847 PolarHBondContact O-ND2 2.96Å
819	A	88.3	Confident	93.5	Very high	67 Å²	67	50.8 Å²	50.8	55%	0.554	26%	0.255	S	S	*	.			trans	-83.4	-4.5	178.2	0	0	0	0	0	113.8	F822 R823	A819-F822 CarbonylContact O-C 3.59Å; A819-F822 WeakPolarHBondContact O-CA 3.42Å; A819-F822 PolarHBondContact O-N 3.39Å; A819-R823 PolarHBondContact O-N 3.07Å
820	T	89.3	Confident	93.5	Very high	87 Å²	87	50.7 Å²	50.7	53%	0.534	26%	0.255	S	S	.	.	S	Bend	trans	-102.9	143	174.5	48.4	0	0	0	0	109.7	Q818 R846 N847	Q818-T820 VanDerWaalsContact C-N 3.29Å; T820-R846 PolarHBondContact O-NH2 2.78Å; T820-R846 VanDerWaalsContact O-NH2 3.16Å; T820-N847 PolarHBondContact O-ND2 2.99Å
821	P	91.8	Very high	93.6	Very high	42 Å²	42	50.7 Å²	50.7	27%	0.273	26%	0.255	S	S	.	.	S	Bend	cis	-76.2	-17.2	1	27.7	-32.7	0	0	0	113.7	E843 H844	P821-E843 WeakPolarHBondContact CD-O 3.04Å; P821-E843 HydrophobicContact CG-CB 4.49Å; P821-E843 HydrophobicContact CG-CG 4.05Å; P821-H844 VanDerWaalsContact CB-CE1 3.49Å; P821-H844 WeakPolarHBondContact CB-CE1 3.02Å; P821-H844 HydrophobicContact CG-CB 4.24Å; P821-H844 WeakPolarHBondContact CG-ND1 3.31Å
822	F	94.9	Very high	93.7	Very high	57 Å²	57	48.7 Å²	48.7	25%	0.25	25%	0.246	C	C	.	.	S	Bend	trans	-149.3	162.5	170.1	65.7	-86.6	0	0	0	111.2	A819 A824 N847 A848 H851 T855	A819-F822 CarbonylContact O-C 3.59Å; A819-F822 WeakPolarHBondContact O-CA 3.42Å; A819-F822 PolarHBondContact O-N 3.39Å; F822-A824 HydrophobicContact CE2-CB 4.34Å; F822-A824 PolarHBondContact O-N 3.1Å; F822-A824 VanDerWaalsContact O-N 3.11Å; F822-N847 HydrophobicContact CD1-CB 4.31Å; F822-N847 HydrophobicContact CE1-CB 3.77Å; F822-N847 HydrophobicContact CE2-CB 4.27Å; F822-N847 HydrophobicContact CZ-CB 3.76Å; F822-N847 PolarHBondContact O-ND2 3.33Å; F822-A848 HydrophobicContact CZ-CB 4.19Å; F822-H851 HydrophobicContact CE2-CB 4.2Å; F822-T855 HydrophobicContact CE1-CG2 3.77Å; F822-T855 HydrophobicContact CE2-CG2 4.39Å; F822-T855 HydrophobicContact CZ-CG2 3.57Å
823	R	94.9	Very high	93.9	Very high	166 Å²	166	46.4 Å²	46.4	63%	0.626	23%	0.232	S	C	*	.			trans	-73.3	105.6	-179.4	-174.5	-179.8	177.8	-170.6	-2.3	111.1	T815 A819 V825	T815-R823 HydrophobicContact CG2-CG 3.82Å; A819-R823 PolarHBondContact O-N 3.07Å; R823-V825 HydrophobicContact CG-CG2 4.48Å
824	A	95.4	Very high	94	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.203	C	C	.	.			trans	-87.4	130	174.3	0	0	0	0	0	111.6	T815 Y816 F822 N847 W850 H851	T815-A824 WeakPolarHBondContact CA-O 3.17Å; T815-A824 WeakPolarHBondContact CG2-O 3.39Å; Y816-A824 PolarHBondContact N-O 2.75Å; F822-A824 HydrophobicContact CE2-CB 4.34Å; F822-A824 PolarHBondContact O-N 3.1Å; F822-A824 VanDerWaalsContact O-N 3.11Å; A824-N847 HydrophobicContact CB-CB 4.09Å; A824-N847 WeakPolarHBondContact CB-O 3.35Å; A824-W850 HydrophobicContact CB-CB 4.07Å; A824-W850 HydrophobicContact CB-CG 4.27Å; A824-H851 HydrophobicContact CB-CB 3.94Å
825	V	95.8	Very high	94.2	Very high	37 Å²	37	37.4 Å²	37.4	22%	0.224	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.3	175.4	-176.5	0	0	0	0	108.8	T815 R823 H851 T852	T815-V825 HydrophobicContact CG2-CG2 4.24Å; R823-V825 HydrophobicContact CG-CG2 4.48Å; V825-H851 PolarHBondContact N-ND1 3.5Å; V825-H851 WeakPolarHBondContact O-CA 3.48Å; V825-H851 PolarHBondContact O-ND1 3.13Å; V825-T852 PolarHBondContact O-N 2.91Å
826	A	95.6	Very high	94.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133.9	177.2	0	0	0	0	0	110.4	Y791 K810 E813 Q814 W850 T852	Y791-A826 HydrophobicContact CE2-CB 3.66Å; Y791-A826 VanDerWaalsContact OH-CB 3.25Å; Y791-A826 WeakPolarHBondContact OH-CB 3.13Å; K810-A826 HydrophobicContact CD-CB 3.66Å; E813-A826 WeakPolarHBondContact CA-O 3.37Å; E813-A826 VanDerWaalsContact CG-O 3.26Å; E813-A826 WeakPolarHBondContact CG-O 3.36Å; Q814-A826 PolarHBondContact N-O 3.44Å; Q814-A826 PolarHBondContact O-N 2.96Å; A826-W850 HydrophobicContact CB-CG 4.36Å; A826-W850 VanDerWaalsContact CB-NE1 3.31Å; A826-W850 WeakPolarHBondContact CB-O 3.35Å; A826-T852 WeakPolarHBondContact CA-OG1 3.41Å
827	Q	95.4	Very high	94.5	Very high	78 Å²	78	37.7 Å²	37.7	36%	0.364	19%	0.193	S	C	.	.			trans	-105.2	149	171.5	-57.7	-174.7	-54.4	0	0	109.9	Q831 T852	Q827-Q831 PolarHBondContact O-NE2 3.09Å; Q827-T852 HydrophobicContact CB-CG2 4.1Å; Q827-T852 HydrophobicContact CG-CG2 4.22Å; Q827-T852 PolarHBondContact N-OG1 3.1Å
828	P	95.6	Very high	94.7	Very high	17 Å²	17	37 Å²	37	11%	0.11	20%	0.204	C	C	.	.	S	Bend	trans	-72.1	151.8	176.1	31.6	-36.1	0	0	0	111	K810 Q811 N868	K810-P828 WeakPolarHBondContact O-CA 3.4Å; Q811-P828 VanDerWaalsContact O-CB 3.25Å; Q811-P828 WeakPolarHBondContact O-CB 3.48Å; P828-N868 CarbonylContact O-C 3.37Å; P828-N868 WeakPolarHBondContact O-CA 3.45Å; P828-N868 PolarHBondContact O-OD1 2.89Å
829	G	93.9	Very high	95	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	119.5	155.3	-175.6	0	0	0	0	0	113	W809 K810 Q831 V869	W809-G829 VanDerWaalsContact CD1-O 3.32Å; K810-G829 PolarHBondContact O-N 2.94Å; G829-Q831 PolarHBondContact O-N 3.29Å; G829-V869 WeakPolarHBondContact CA-O 3.5Å
830	L	96.5	Very high	95.2	Very high	8 Å²	8	36.1 Å²	36.1	4%	0.042	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	128.7	-178.7	-168.4	69.7	0	0	0	109.1	V807 W809 W863 T864 D865 V892 L894 A902	V807-L830 HydrophobicContact CG1-CD1 3.5Å; V807-L830 HydrophobicContact CG1-CD2 4.38Å; V807-L830 HydrophobicContact CG1-CG 3.98Å; W809-L830 HydrophobicContact CB-CD1 3.9Å; W809-L830 VanDerWaalsContact CD1-N 3.31Å; W809-L830 HydrophobicContact CD2-CD1 4.34Å; W809-L830 HydrophobicContact CG-CB 4.49Å; W809-L830 HydrophobicContact CG-CD1 4.05Å; L830-W863 HydrophobicContact CB-CH2 4.33Å; L830-W863 HydrophobicContact CB-CZ3 3.94Å; L830-W863 HydrophobicContact CD2-CH2 4.23Å; L830-W863 HydrophobicContact CD2-CZ3 3.85Å; L830-W863 HydrophobicContact CG-CZ3 3.96Å; L830-W863 WeakPolarHBondContact O-CZ3 3.28Å; L830-T864 CarbonylContact O-C 3.41Å; L830-T864 WeakPolarHBondContact O-CA 3.46Å; L830-D865 HydrophobicContact CB-CB 4.27Å; L830-D865 PolarHBondContact O-N 3.33Å; L830-V892 HydrophobicContact CD2-CG1 4.1Å; L830-L894 HydrophobicContact CD2-CB 4.25Å; L830-L894 HydrophobicContact CD2-CD2 4.33Å; L830-A902 HydrophobicContact CD2-CB 4.5Å
831	Q	97.9	Very high	95.4	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132.1	-178.8	-61.8	170.8	45.7	0	0	109.1	Y791 V807 M808 Q827 G829 T852 L861	Y791-Q831 PolarHBondContact OH-NE2 3.44Å; Y791-Q831 VanDerWaalsContact OH-NE2 3.09Å; V807-Q831 CarbonylContact C-O 3.54Å; V807-Q831 WeakPolarHBondContact CA-O 3.27Å; M808-Q831 HydrophobicContact CG-CB 4.05Å; M808-Q831 PolarHBondContact N-O 2.93Å; M808-Q831 PolarHBondContact O-N 3.47Å; Q827-Q831 PolarHBondContact O-NE2 3.09Å; G829-Q831 PolarHBondContact O-N 3.29Å; Q831-T852 HydrophobicContact CG-CG2 4.46Å; Q831-T852 PolarHBondContact NE2-OG1 2.85Å; Q831-T852 PolarHBondContact OE1-OG1 3.46Å; Q831-L861 HydrophobicContact CB-CD1 4.05Å; Q831-L861 HydrophobicContact CG-CD1 4.39Å
832	L	98.3	Very high	95.4	Very high	1 Å²	1	32 Å²	32	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121.1	170	172.3	66.9	0	0	0	108.3	F796 V807 L862 W863 I890 I907	F796-L832 HydrophobicContact CE1-CD1 3.78Å; F796-L832 HydrophobicContact CZ-CD1 3.88Å; V807-L832 HydrophobicContact CG2-CD1 3.66Å; L832-L862 HydrophobicContact CD2-CB 4.1Å; L832-L862 HydrophobicContact CD2-CD1 4.1Å; L832-L862 HydrophobicContact CG-CB 4.05Å; L832-L862 HydrophobicContact CG-CD1 4.04Å; L832-L862 HydrophobicContact CG-CG 4.44Å; L832-L862 WeakPolarHBondContact O-CB 3.41Å; L832-L862 PolarHBondContact O-N 3.39Å; L832-W863 HydrophobicContact CB-CB 4.24Å; L832-W863 HydrophobicContact CB-CE3 4.36Å; L832-W863 PolarHBondContact N-O 2.86Å; L832-W863 PolarHBondContact O-N 2.94Å; L832-I890 HydrophobicContact CD2-CG2 3.75Å; L832-I907 HydrophobicContact CD2-CG1 4.34Å; L832-I907 HydrophobicContact CD2-CG2 4.46Å
833	K	98.4	Very high	95.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	146.3	-178	-57.6	-177.9	-172.2	177.7	0	110.9	Y805 V806 M808 L849 H851 V859 R860 L861	Y805-K833 WeakPolarHBondContact CA-O 3.46Å; V806-K833 HydrophobicContact CG1-CB 3.93Å; V806-K833 PolarHBondContact N-O 3.3Å; V806-K833 PolarHBondContact O-N 2.85Å; M808-K833 HydrophobicContact CE-CD 4.09Å; M808-K833 HydrophobicContact SD-CD 3.9Å; M808-K833 VanDerWaalsContact SD-CE 3.57Å; M808-K833 PolarHBondContact SD-NZ 3.13Å; K833-L849 PolarHBondContact NZ-O 3.33Å; K833-H851 PolarHBondContact NZ-O 3.31Å; K833-V859 HydrophobicContact CB-CG1 3.74Å; K833-V859 HydrophobicContact CD-CG1 3.65Å; K833-V859 HydrophobicContact CG-CG1 4.14Å; K833-R860 CarbonylContact C-O 3.55Å; K833-R860 VanDerWaalsContact CA-O 3.31Å; K833-R860 WeakPolarHBondContact CA-O 3.14Å; K833-L861 HydrophobicContact CG-CD1 3.91Å
834	A	98.2	Very high	95.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	122.8	164.8	0	0	0	0	0	108.3	Y805 V859 R860 L862 M912	Y805-A834 HydrophobicContact CD1-CB 3.76Å; Y805-A834 HydrophobicContact CE1-CB 3.59Å; A834-V859 WeakPolarHBondContact O-CA 3.39Å; A834-R860 PolarHBondContact N-O 2.84Å; A834-R860 PolarHBondContact O-N 3.28Å; A834-L862 HydrophobicContact CB-CD1 4.2Å; A834-L862 HydrophobicContact CB-CD2 4.09Å; A834-L862 HydrophobicContact CB-CG 4.2Å; A834-M912 HydrophobicContact CB-CE 4.35Å
835	V	98	Very high	95.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	122.5	172.6	-173.5	0	0	0	0	107.4	G802 R803 F804 V806 L845 L849 V859	G802-V835 CarbonylContact O-C 3.59Å; R803-V835 WeakPolarHBondContact CA-O 3.34Å; F804-V835 HydrophobicContact CD1-CB 4.08Å; F804-V835 HydrophobicContact CD1-CG1 4.26Å; F804-V835 HydrophobicContact CD1-CG2 4.48Å; F804-V835 HydrophobicContact CD2-CB 4.3Å; F804-V835 HydrophobicContact CD2-CG2 3.94Å; F804-V835 HydrophobicContact CE1-CB 3.97Å; F804-V835 HydrophobicContact CE1-CG1 3.8Å; F804-V835 HydrophobicContact CE1-CG2 4.14Å; F804-V835 HydrophobicContact CE2-CB 4.2Å; F804-V835 HydrophobicContact CE2-CG2 3.55Å; F804-V835 HydrophobicContact CG-CB 4.25Å; F804-V835 HydrophobicContact CG-CG2 4.4Å; F804-V835 HydrophobicContact CZ-CB 4.03Å; F804-V835 HydrophobicContact CZ-CG1 4.04Å; F804-V835 HydrophobicContact CZ-CG2 3.67Å; F804-V835 PolarHBondContact N-O 2.86Å; F804-V835 VanDerWaalsContact O-CB 3.31Å; F804-V835 WeakPolarHBondContact O-CB 2.77Å; F804-V835 PolarHBondContact O-N 2.78Å; V806-V835 HydrophobicContact CG1-CG2 3.99Å; V835-L845 HydrophobicContact CG1-CD1 3.56Å; V835-L849 HydrophobicContact CG2-CD2 3.82Å; V835-V859 HydrophobicContact CG1-CG2 4.3Å; V835-V859 HydrophobicContact CG2-CG2 4.22Å
836	T	96.1	Very high	95.1	Very high	50 Å²	50	27.9 Å²	27.9	31%	0.307	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	71.3	174.8	57.2	0	0	0	0	106.1	G802 Q858 M912	G802-T836 CarbonylContact O-C 3.51Å; G802-T836 WeakPolarHBondContact O-CA 3.07Å; G802-T836 PolarHBondContact O-N 2.87Å; T836-Q858 CarbonylContact C-O 3.48Å; T836-Q858 PolarHBondContact N-O 2.93Å; T836-M912 HydrophobicContact CG2-SD 4.1Å
837	S	95.9	Very high	95.1	Very high	17 Å²	17	27.9 Å²	27.9	12%	0.119	16%	0.16	C	C	.	.			trans	-84.5	124.8	-170.8	-173.9	0	0	0	0	111.3	G802 S839 G840 Q858	G802-S837 PolarHBondContact O-N 2.89Å; S837-S839 VanDerWaalsContact C-N 3.33Å; S837-S839 PolarHBondContact OG-N 2.85Å; S837-S839 PolarHBondContact OG-OG 3.28Å; S837-G840 PolarHBondContact OG-N 2.81Å; S837-Q858 PolarHBondContact OG-NE2 2.94Å; S837-Q858 PolarHBondContact OG-OE1 3.23Å
838	V	93	Very high	95.1	Very high	123 Å²	123	24.1 Å²	24.1	75%	0.745	14%	0.143	S	C	*	.	S	Bend	trans	-80.6	-18.4	172.2	-178.3	0	0	0	0	111.8	D857	V838-D857 HydrophobicContact CB-CB 4.46Å; V838-D857 HydrophobicContact CG2-CB 3.98Å; V838-D857 PolarHBondContact N-O 3.3Å
839	S	92.2	Very high	95.2	Very high	62 Å²	62	23.3 Å²	23.3	43%	0.434	14%	0.138	S	C	.	.	S	Bend	trans	-94.3	-15.6	-178.8	63.1	0	0	0	0	114.1	S837 Q858	S837-S839 VanDerWaalsContact C-N 3.33Å; S837-S839 PolarHBondContact OG-N 2.85Å; S837-S839 PolarHBondContact OG-OG 3.28Å; S839-Q858 PolarHBondContact OG-NE2 3.29Å; S839-Q858 PolarHBondContact OG-OE1 3Å
840	G	91.5	Very high	95.3	Very high	13 Å²	13	23.3 Å²	23.3	13%	0.134	14%	0.138	C	C	.	.			trans	65.9	-163.2	-166	0	0	0	0	0	113.2	S837 L845	S837-G840 PolarHBondContact OG-N 2.81Å; G840-L845 WeakPolarHBondContact O-CB 3.17Å
841	P	93.3	Very high	95.4	Very high	32 Å²	32	25.3 Å²	25.3	21%	0.208	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	144.3	175.1	-28.9	37.8	0	0	0	114	S801	S801-P841 VanDerWaalsContact OG-CD 3.22Å; S801-P841 WeakPolarHBondContact OG-CD 3.48Å; S801-P841 WeakPolarHBondContact OG-CG 3.48Å
842	G	91.4	Very high	95.3	Very high	9 Å²	9	26 Å²	26	9%	0.093	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	133.6	-164.7	177.9	0	0	0	0	0	114.1	L734 H844 L845 R846	L734-G842 PolarHBondContact O-N 3.45Å; G842-H844 VanDerWaalsContact C-N 3.28Å; G842-H844 PolarHBondContact O-N 2.84Å; G842-H844 VanDerWaalsContact O-N 3.14Å; G842-L845 PolarHBondContact O-N 2.81Å; G842-R846 WeakPolarHBondContact O-CB 3.45Å; G842-R846 PolarHBondContact O-N 2.87Å
843	E	92.1	Very high	95.1	Very high	82 Å²	82	26.6 Å²	26.6	38%	0.383	16%	0.157	S	C	.	.	H	α-helix	trans	-60.9	-32	-166.9	67.2	164.4	-175.9	0	0	114.7	P821 N847	P821-E843 WeakPolarHBondContact CD-O 3.04Å; P821-E843 HydrophobicContact CG-CB 4.49Å; P821-E843 HydrophobicContact CG-CG 4.05Å; E843-N847 PolarHBondContact O-N 2.85Å; E843-N847 PolarHBondContact O-OD1 2.92Å
844	H	93.9	Very high	94.9	Very high	84 Å²	84	32 Å²	32	39%	0.389	18%	0.182	S	C	.	.	H	α-helix	trans	-70.5	-51.3	179.3	-80.5	-86.6	0	0	0	111.7	P821 G842 N847 A848	P821-H844 VanDerWaalsContact CB-CE1 3.49Å; P821-H844 WeakPolarHBondContact CB-CE1 3.02Å; P821-H844 HydrophobicContact CG-CB 4.24Å; P821-H844 WeakPolarHBondContact CG-ND1 3.31Å; G842-H844 VanDerWaalsContact C-N 3.28Å; G842-H844 PolarHBondContact O-N 2.84Å; G842-H844 VanDerWaalsContact O-N 3.14Å; H844-N847 PolarHBondContact O-N 3.05Å; H844-A848 WeakPolarHBondContact O-CB 3.45Å; H844-A848 PolarHBondContact O-N 3.06Å
845	L	95.1	Very high	94.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.3	-43.7	-179.4	177.8	55.2	0	0	0	110.6	L734 S801 V835 G840 G842 N847 A848 L849 Q858 V859	L734-L845 HydrophobicContact CD2-CD2 4.25Å; S801-L845 WeakPolarHBondContact O-CD2 3.35Å; V835-L845 HydrophobicContact CG1-CD1 3.56Å; G840-L845 WeakPolarHBondContact O-CB 3.17Å; G842-L845 PolarHBondContact O-N 2.81Å; L845-N847 PolarHBondContact O-N 2.67Å; L845-A848 CarbonylContact O-C 3.57Å; L845-A848 WeakPolarHBondContact O-CB 3.39Å; L845-A848 PolarHBondContact O-N 2.78Å; L845-A848 VanDerWaalsContact O-N 3.11Å; L845-L849 HydrophobicContact CD1-CD1 4.03Å; L845-L849 HydrophobicContact CD1-CD2 4.47Å; L845-L849 HydrophobicContact CD1-CG 3.94Å; L845-L849 HydrophobicContact CG-CD1 3.9Å; L845-L849 HydrophobicContact CG-CG 4.3Å; L845-L849 WeakPolarHBondContact O-CB 3.38Å; L845-L849 WeakPolarHBondContact O-CG 3.41Å; L845-L849 PolarHBondContact O-N 3.25Å; L845-Q858 VanDerWaalsContact CA-OE1 3.26Å; L845-Q858 VanDerWaalsContact N-OE1 3.13Å; L845-V859 HydrophobicContact CD1-CG2 3.85Å
846	R	94.8	Very high	94.7	Very high	8 Å²	8	36.6 Å²	36.6	3%	0.03	21%	0.212	C	C	.	.	H	α-helix	trans	-51.6	-54.5	174.1	177.3	-166.1	75.7	-151.6	-4.6	112.8	D735 P763 Y816 Q818 T820 G842 A848 L849 W850 F922	D735-R846 HydrophobicContact CB-CB 4.36Å; D735-R846 HydrophobicContact CB-CG 4.44Å; D735-R846 IonicContact OD1-NH1 3.55Å; D735-R846 WeakPolarHBondContact OD2-CD 3.35Å; D735-R846 IonicContact OD2-CZ 3.69Å; D735-R846 IonicContact OD2-NE 3.8Å; D735-R846 IonicContact OD2-NH1 2.78Å; D735-R846 PolarHBondContact OD2-NH1 2.73Å; P763-R846 HydrophobicContact CG-CG 4.25Å; Y816-R846 HydrophobicContact CE1-CG 4.35Å; Y816-R846 VanDerWaalsContact CE1-NE 3.32Å; Y816-R846 WeakPolarHBondContact OH-CD 3.34Å; Q818-R846 VanDerWaalsContact OE1-NH2 3.08Å; T820-R846 PolarHBondContact O-NH2 2.78Å; T820-R846 VanDerWaalsContact O-NH2 3.16Å; G842-R846 WeakPolarHBondContact O-CB 3.45Å; G842-R846 PolarHBondContact O-N 2.87Å; R846-A848 VanDerWaalsContact C-N 3.28Å; R846-A848 PolarHBondContact O-N 2.77Å; R846-L849 PolarHBondContact O-N 3Å; R846-W850 PolarHBondContact O-N 2.89Å; R846-F922 HydrophobicContact CG-CE1 4.37Å; R846-F922 HydrophobicContact CG-CE2 4.17Å; R846-F922 HydrophobicContact CG-CZ 3.53Å
847	N	94.9	Very high	94.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.3	-33	-179.7	-77.1	36.5	0	0	0	111.6	Q818 T820 F822 A824 E843 H844 L845 H851	Q818-N847 PolarHBondContact O-ND2 2.96Å; T820-N847 PolarHBondContact O-ND2 2.99Å; F822-N847 HydrophobicContact CD1-CB 4.31Å; F822-N847 HydrophobicContact CE1-CB 3.77Å; F822-N847 HydrophobicContact CE2-CB 4.27Å; F822-N847 HydrophobicContact CZ-CB 3.76Å; F822-N847 PolarHBondContact O-ND2 3.33Å; A824-N847 HydrophobicContact CB-CB 4.09Å; A824-N847 WeakPolarHBondContact CB-O 3.35Å; E843-N847 PolarHBondContact O-N 2.85Å; E843-N847 PolarHBondContact O-OD1 2.92Å; H844-N847 PolarHBondContact O-N 3.05Å; L845-N847 PolarHBondContact O-N 2.67Å; N847-H851 WeakPolarHBondContact O-CB 3.36Å; N847-H851 PolarHBondContact O-N 2.99Å
848	A	96.9	Very high	94.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67.5	-40	176	0	0	0	0	0	112.7	F822 H844 L845 R846 H851 T855 Q858 V859	F822-A848 HydrophobicContact CZ-CB 4.19Å; H844-A848 WeakPolarHBondContact O-CB 3.45Å; H844-A848 PolarHBondContact O-N 3.06Å; L845-A848 CarbonylContact O-C 3.57Å; L845-A848 WeakPolarHBondContact O-CB 3.39Å; L845-A848 PolarHBondContact O-N 2.78Å; L845-A848 VanDerWaalsContact O-N 3.11Å; R846-A848 VanDerWaalsContact C-N 3.28Å; R846-A848 PolarHBondContact O-N 2.77Å; A848-H851 PolarHBondContact O-N 2.03Å; A848-T855 HydrophobicContact CB-CG2 3.83Å; A848-Q858 HydrophobicContact CB-CB 3.69Å; A848-Q858 HydrophobicContact CB-CG 4.38Å; A848-V859 HydrophobicContact CB-CB 4.07Å; A848-V859 HydrophobicContact CB-CG2 3.59Å
849	L	96.8	Very high	94.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.6	-43.8	174.6	-73.1	168.1	0	0	0	111.1	L734 F804 V806 M808 K833 V835 L845 R846 H851 V859	L734-L849 HydrophobicContact CD1-CD1 3.72Å; F804-L849 HydrophobicContact CZ-CD2 4.49Å; V806-L849 HydrophobicContact CG1-CD2 4.23Å; M808-L849 HydrophobicContact CE-CB 4.38Å; M808-L849 HydrophobicContact CE-CD2 3.81Å; M808-L849 VanDerWaalsContact SD-O 3.34Å; K833-L849 PolarHBondContact NZ-O 3.33Å; V835-L849 HydrophobicContact CG2-CD2 3.82Å; L845-L849 HydrophobicContact CD1-CD1 4.03Å; L845-L849 HydrophobicContact CD1-CD2 4.47Å; L845-L849 HydrophobicContact CD1-CG 3.94Å; L845-L849 HydrophobicContact CG-CD1 3.9Å; L845-L849 HydrophobicContact CG-CG 4.3Å; L845-L849 WeakPolarHBondContact O-CB 3.38Å; L845-L849 WeakPolarHBondContact O-CG 3.41Å; L845-L849 PolarHBondContact O-N 3.25Å; R846-L849 PolarHBondContact O-N 3Å; L849-H851 VanDerWaalsContact C-N 3.35Å; L849-H851 PolarHBondContact O-N 3.5Å; L849-V859 HydrophobicContact CD2-CG2 4.32Å; L849-V859 HydrophobicContact CG-CG2 4.47Å
850	W	96.5	Very high	95.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.9	-41.2	176.3	-171	-79.6	0	0	0	112.4	D790 Y791 Q814 Y816 W817 A824 A826 R846 T852 F922	D790-W850 WeakPolarHBondContact OD1-CH2 3.5Å; Y791-W850 HydrophobicContact CD2-CD2 4.37Å; Y791-W850 HydrophobicContact CD2-CE3 4.08Å; Y791-W850 HydrophobicContact CD2-CZ3 4.42Å; Y791-W850 HydrophobicContact CE2-CD2 4.12Å; Y791-W850 HydrophobicContact CE2-CE3 4.3Å; Y791-W850 HydrophobicContact CE2-CG 4.29Å; Y791-W850 PolarHBondContact OH-O 3.17Å; Q814-W850 HydrophobicContact CB-CZ2 4.12Å; Q814-W850 HydrophobicContact CG-CZ2 4.05Å; Q814-W850 PolarHBondContact O-NE1 3.24Å; Q814-W850 VanDerWaalsContact O-NE1 3.14Å; Y816-W850 AromaticContact CD2-CD2 3.47Å; Y816-W850 HydrophobicContact CD2-CD2 3.47Å; Y816-W850 VanDerWaalsContact CD2-CD2 3.47Å; Y816-W850 AromaticContact CD2-CE2 3.81Å; Y816-W850 AromaticContact CD2-CE3 3.45Å; Y816-W850 HydrophobicContact CD2-CE3 3.45Å; Y816-W850 VanDerWaalsContact CD2-CE3 3.45Å; Y816-W850 HydrophobicContact CD2-CG 4.02Å; Y816-W850 HydrophobicContact CD2-CH2 4.02Å; Y816-W850 HydrophobicContact CD2-CZ2 4.09Å; Y816-W850 AromaticContact CD2-CZ3 3.73Å; Y816-W850 HydrophobicContact CD2-CZ3 3.73Å; Y816-W850 HydrophobicContact CE2-CD2 4.35Å; Y816-W850 AromaticContact CE2-CE3 3.9Å; Y816-W850 HydrophobicContact CE2-CE3 3.9Å; Y816-W850 HydrophobicContact CE2-CZ3 4.03Å; Y816-W850 HydrophobicContact CG-CD2 4.02Å; Y816-W850 HydrophobicContact CG-CE3 4.39Å; Y816-W850 HydrophobicContact CG-CG 4.11Å; W817-W850 HydrophobicContact CZ3-CH2 4.1Å; W817-W850 HydrophobicContact CZ3-CZ3 4.28Å; A824-W850 HydrophobicContact CB-CB 4.07Å; A824-W850 HydrophobicContact CB-CG 4.27Å; A826-W850 HydrophobicContact CB-CG 4.36Å; A826-W850 VanDerWaalsContact CB-NE1 3.31Å; A826-W850 WeakPolarHBondContact CB-O 3.35Å; R846-W850 PolarHBondContact O-N 2.89Å; W850-T852 PolarHBondContact O-N 3.42Å; W850-F922 HydrophobicContact CB-CE2 4Å; W850-F922 HydrophobicContact CD2-CE2 4.49Å; W850-F922 HydrophobicContact CE3-CD1 4.43Å; W850-F922 AromaticContact CE3-CD2 3.99Å; W850-F922 HydrophobicContact CE3-CD2 3.99Å; W850-F922 HydrophobicContact CE3-CE1 4.07Å; W850-F922 AromaticContact CE3-CE2 3.65Å; W850-F922 HydrophobicContact CE3-CE2 3.65Å; W850-F922 HydrophobicContact CE3-CG 4.38Å; W850-F922 AromaticContact CE3-CZ 3.67Å; W850-F922 HydrophobicContact CE3-CZ 3.67Å; W850-F922 HydrophobicContact CZ3-CD1 4.44Å; W850-F922 HydrophobicContact CZ3-CE1 4.26Å; W850-F922 HydrophobicContact CZ3-CZ 4.3Å
851	H	97.6	Very high	95.5	Very high	50 Å²	50	36.1 Å²	36.1	23%	0.231	19%	0.188	C	C	.	.	S	Bend	trans	-68.3	127.9	-173.3	-173.3	36.7	0	0	0	112.7	F822 A824 V825 K833 N847 A848 L849 G853	F822-H851 HydrophobicContact CE2-CB 4.2Å; A824-H851 HydrophobicContact CB-CB 3.94Å; V825-H851 PolarHBondContact N-ND1 3.5Å; V825-H851 WeakPolarHBondContact O-CA 3.48Å; V825-H851 PolarHBondContact O-ND1 3.13Å; K833-H851 PolarHBondContact NZ-O 3.31Å; N847-H851 WeakPolarHBondContact O-CB 3.36Å; N847-H851 PolarHBondContact O-N 2.99Å; A848-H851 PolarHBondContact O-N 2.03Å; L849-H851 VanDerWaalsContact C-N 3.35Å; L849-H851 PolarHBondContact O-N 3.5Å; H851-G853 PolarHBondContact O-N 2.94Å; H851-G853 VanDerWaalsContact O-N 3.12Å
852	T	96.4	Very high	95.6	Very high	16 Å²	16	36 Å²	36	10%	0.098	19%	0.185	C	C	.	.	S	Bend	trans	-78.7	92.7	168.1	-53.4	0	0	0	0	109.7	V825 A826 Q827 Q831 W850 L861	V825-T852 PolarHBondContact O-N 2.91Å; A826-T852 WeakPolarHBondContact CA-OG1 3.41Å; Q827-T852 HydrophobicContact CB-CG2 4.1Å; Q827-T852 HydrophobicContact CG-CG2 4.22Å; Q827-T852 PolarHBondContact N-OG1 3.1Å; Q831-T852 HydrophobicContact CG-CG2 4.46Å; Q831-T852 PolarHBondContact NE2-OG1 2.85Å; Q831-T852 PolarHBondContact OE1-OG1 3.46Å; W850-T852 PolarHBondContact O-N 3.42Å; T852-L861 HydrophobicContact CG2-CD2 4.42Å
853	G	94.4	Very high	95.9	Very high	13 Å²	13	37.3 Å²	37.3	13%	0.134	19%	0.188	C	C	.	.	S	Bend	trans	163.1	-174.4	179.1	0	0	0	0	0	112.5	H851	H851-G853 PolarHBondContact O-N 2.94Å; H851-G853 VanDerWaalsContact O-N 3.12Å
854	H	94.6	Very high	96.1	Very high	113 Å²	113	35.7 Å²	35.7	52%	0.523	18%	0.183	S	C	.	.			trans	-87.4	127.5	170.6	177.4	57.9	0	0	0	109.9	V859	H854-V859 PolarHBondContact ND1-O 2.93Å; H854-V859 VanDerWaalsContact ND1-O 3.14Å
855	T	96.6	Very high	96.2	Very high	13 Å²	13	31.9 Å²	31.9	8%	0.08	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-111.6	112.6	169.4	-53.1	0	0	0	0	107.4	F822 A848 Q858 V859	F822-T855 HydrophobicContact CE1-CG2 3.77Å; F822-T855 HydrophobicContact CE2-CG2 4.39Å; F822-T855 HydrophobicContact CZ-CG2 3.57Å; A848-T855 HydrophobicContact CB-CG2 3.83Å; T855-Q858 HydrophobicContact CG2-CB 3.91Å; T855-Q858 HydrophobicContact CG2-CG 4.09Å; T855-Q858 PolarHBondContact O-N 3.14Å; T855-V859 PolarHBondContact N-O 3.13Å; T855-V859 PolarHBondContact O-N 2.85Å; T855-V859 VanDerWaalsContact O-O 3.05Å
856	P	95.1	Very high	96.2	Very high	84 Å²	84	37.4 Å²	37.4	55%	0.545	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	142.2	-179.2	-26.4	34.6	0	0	0	112.1	Q858	P856-Q858 PolarHBondContact O-N 3.4Å
857	D	94.8	Very high	96.1	Very high	118 Å²	118	42.1 Å²	42.1	63%	0.631	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	16.2	176.6	-46.6	-40.5	0	0	0	114.8	V838	V838-D857 HydrophobicContact CB-CB 4.46Å; V838-D857 HydrophobicContact CG2-CB 3.98Å; V838-D857 PolarHBondContact N-O 3.3Å
858	Q	96.5	Very high	96	Very high	13 Å²	13	45.1 Å²	45.1	6%	0.061	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.8	-71.7	-175.9	-64.5	-68.5	-61.9	0	0	111.7	T836 S837 S839 L845 A848 T855 P856	T836-Q858 CarbonylContact C-O 3.48Å; T836-Q858 PolarHBondContact N-O 2.93Å; S837-Q858 PolarHBondContact OG-NE2 2.94Å; S837-Q858 PolarHBondContact OG-OE1 3.23Å; S839-Q858 PolarHBondContact OG-NE2 3.29Å; S839-Q858 PolarHBondContact OG-OE1 3Å; L845-Q858 VanDerWaalsContact CA-OE1 3.26Å; L845-Q858 VanDerWaalsContact N-OE1 3.13Å; A848-Q858 HydrophobicContact CB-CB 3.69Å; A848-Q858 HydrophobicContact CB-CG 4.38Å; T855-Q858 HydrophobicContact CG2-CB 3.91Å; T855-Q858 HydrophobicContact CG2-CG 4.09Å; T855-Q858 PolarHBondContact O-N 3.14Å; P856-Q858 PolarHBondContact O-N 3.4Å
859	V	97.9	Very high	95.9	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	134.3	-169.5	-177.3	0	0	0	0	110.9	K833 A834 V835 L845 A848 L849 H854 T855	K833-V859 HydrophobicContact CB-CG1 3.74Å; K833-V859 HydrophobicContact CD-CG1 3.65Å; K833-V859 HydrophobicContact CG-CG1 4.14Å; A834-V859 WeakPolarHBondContact O-CA 3.39Å; V835-V859 HydrophobicContact CG1-CG2 4.3Å; V835-V859 HydrophobicContact CG2-CG2 4.22Å; L845-V859 HydrophobicContact CD1-CG2 3.85Å; A848-V859 HydrophobicContact CB-CB 4.07Å; A848-V859 HydrophobicContact CB-CG2 3.59Å; L849-V859 HydrophobicContact CD2-CG2 4.32Å; L849-V859 HydrophobicContact CG-CG2 4.47Å; H854-V859 PolarHBondContact ND1-O 2.93Å; H854-V859 VanDerWaalsContact ND1-O 3.14Å; T855-V859 PolarHBondContact N-O 3.13Å; T855-V859 PolarHBondContact O-N 2.85Å; T855-V859 VanDerWaalsContact O-O 3.05Å
860	R	97.8	Very high	95.9	Very high	76 Å²	76	48.7 Å²	48.7	29%	0.287	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	119.5	176.6	-177.5	169	52.1	93.6	6	110.8	K833 A834 L862 D909 S911	K833-R860 CarbonylContact C-O 3.55Å; K833-R860 VanDerWaalsContact CA-O 3.31Å; K833-R860 WeakPolarHBondContact CA-O 3.14Å; A834-R860 PolarHBondContact N-O 2.84Å; A834-R860 PolarHBondContact O-N 3.28Å; R860-L862 HydrophobicContact CG-CD2 4.31Å; R860-L862 VanDerWaalsContact CZ-CD2 3.43Å; R860-L862 PolarHBondContact O-N 3.46Å; R860-D909 IonicContact CZ-OD2 3.75Å; R860-D909 IonicContact NH1-OD2 3.93Å; R860-D909 PolarHBondContact NH1-OD2 3.16Å; R860-D909 IonicContact NH2-OD1 2.76Å; R860-D909 PolarHBondContact NH2-OD1 3.36Å; R860-D909 IonicContact NH2-OD2 3.48Å; R860-D909 PolarHBondContact NH2-OD2 3.04Å; R860-S911 PolarHBondContact NH2-OG 3.14Å
861	L	97.3	Very high	95.9	Very high	46 Å²	46	48.9 Å²	48.9	24%	0.241	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	114.1	170.7	-176	67.5	0	0	0	109.7	Q831 K833 T852 W863 T864	Q831-L861 HydrophobicContact CB-CD1 4.05Å; Q831-L861 HydrophobicContact CG-CD1 4.39Å; K833-L861 HydrophobicContact CG-CD1 3.91Å; T852-L861 HydrophobicContact CG2-CD2 4.42Å; L861-W863 WeakPolarHBondContact CD1-O 3.42Å; L861-T864 HydrophobicContact CD2-CG2 4.44Å
862	L	97.3	Very high	95.8	Very high	31 Å²	31	52.8 Å²	52.8	16%	0.162	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	-42.9	177.5	-56.6	-173.3	0	0	0	111.1	Y805 L832 A834 R860 I890 I907 D909	Y805-L862 HydrophobicContact CD1-CD1 3.95Å; Y805-L862 HydrophobicContact CE1-CD1 3.87Å; L832-L862 HydrophobicContact CD2-CB 4.1Å; L832-L862 HydrophobicContact CD2-CD1 4.1Å; L832-L862 HydrophobicContact CG-CB 4.05Å; L832-L862 HydrophobicContact CG-CD1 4.04Å; L832-L862 HydrophobicContact CG-CG 4.44Å; L832-L862 WeakPolarHBondContact O-CB 3.41Å; L832-L862 PolarHBondContact O-N 3.39Å; A834-L862 HydrophobicContact CB-CD1 4.2Å; A834-L862 HydrophobicContact CB-CD2 4.09Å; A834-L862 HydrophobicContact CB-CG 4.2Å; R860-L862 HydrophobicContact CG-CD2 4.31Å; R860-L862 VanDerWaalsContact CZ-CD2 3.43Å; R860-L862 PolarHBondContact O-N 3.46Å; L862-I890 HydrophobicContact CD1-CD1 4.23Å; L862-I907 HydrophobicContact CB-CG2 4.24Å; L862-I907 HydrophobicContact CD1-CG2 4.31Å; L862-D909 HydrophobicContact CD1-CB 4.11Å
863	W	97.5	Very high	95.8	Very high	36 Å²	36	54.8 Å²	54.8	14%	0.136	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	150.5	-177.1	175.9	91.4	0	0	0	110.8	L830 L832 L861 D865 A902 I907	L830-W863 HydrophobicContact CB-CH2 4.33Å; L830-W863 HydrophobicContact CB-CZ3 3.94Å; L830-W863 HydrophobicContact CD2-CH2 4.23Å; L830-W863 HydrophobicContact CD2-CZ3 3.85Å; L830-W863 HydrophobicContact CG-CZ3 3.96Å; L830-W863 WeakPolarHBondContact O-CZ3 3.28Å; L832-W863 HydrophobicContact CB-CB 4.24Å; L832-W863 HydrophobicContact CB-CE3 4.36Å; L832-W863 PolarHBondContact N-O 2.86Å; L832-W863 PolarHBondContact O-N 2.94Å; L861-W863 WeakPolarHBondContact CD1-O 3.42Å; W863-D865 HydrophobicContact CH2-CB 3.75Å; W863-D865 HydrophobicContact CZ2-CB 4.24Å; W863-D865 HydrophobicContact CZ3-CB 4.38Å; W863-A902 HydrophobicContact CH2-CB 4.18Å; W863-I907 HydrophobicContact CB-CD1 4.09Å; W863-I907 HydrophobicContact CB-CG1 4.38Å; W863-I907 HydrophobicContact CG-CD1 4.5Å
864	T	96.4	Very high	95.8	Very high	48 Å²	48	59.9 Å²	59.9	29%	0.294	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	144.3	172	-175	0	0	0	0	109.3	L830 L861 P866	L830-T864 CarbonylContact O-C 3.41Å; L830-T864 WeakPolarHBondContact O-CA 3.46Å; L861-T864 HydrophobicContact CD2-CG2 4.44Å; T864-P866 VanDerWaalsContact O-CD 3.32Å; T864-P866 WeakPolarHBondContact O-CD 3.06Å
865	D	95.8	Very high	95.9	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.021	29%	0.286	C	S	.	.			trans	-61.3	115.9	177	-178.7	0.3	0	0	0	110.4	L830 W863 R867 N868	L830-D865 HydrophobicContact CB-CB 4.27Å; L830-D865 PolarHBondContact O-N 3.33Å; W863-D865 HydrophobicContact CH2-CB 3.75Å; W863-D865 HydrophobicContact CZ2-CB 4.24Å; W863-D865 HydrophobicContact CZ3-CB 4.38Å; D865-R867 PolarHBondContact O-N 2.89Å; D865-R867 WeakPolarHBondContact OD1-CB 3.03Å; D865-R867 VanDerWaalsContact OD1-CG 3.32Å; D865-R867 WeakPolarHBondContact OD1-CG 3.27Å; D865-R867 IonicContact OD1-CZ 4Å; D865-R867 PolarHBondContact OD1-N 2.83Å; D865-R867 IonicContact OD1-NE 3.05Å; D865-R867 PolarHBondContact OD1-NE 3.08Å; D865-R867 IonicContact OD2-CZ 3.25Å; D865-R867 VanDerWaalsContact OD2-CZ 3.25Å; D865-R867 IonicContact OD2-NE 2.99Å; D865-R867 PolarHBondContact OD2-NE 3.34Å; D865-R867 IonicContact OD2-NH2 2.7Å; D865-R867 PolarHBondContact OD2-NH2 3.18Å; D865-N868 PolarHBondContact O-N 3.01Å
866	P	93.6	Very high	95.9	Very high	115 Å²	115	56 Å²	56	75%	0.747	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-15.4	-178.5	27.4	-36.5	0	0	0	113.5	T864 N868	T864-P866 VanDerWaalsContact O-CD 3.32Å; T864-P866 WeakPolarHBondContact O-CD 3.06Å; P866-N868 VanDerWaalsContact C-N 3.33Å
867	R	93.3	Very high	96	Very high	107 Å²	107	52.2 Å²	52.2	40%	0.404	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-23.7	175.7	-54.4	173.4	-58.7	151.4	10	111.8	D865 V869 V901	D865-R867 PolarHBondContact O-N 2.89Å; D865-R867 WeakPolarHBondContact OD1-CB 3.03Å; D865-R867 VanDerWaalsContact OD1-CG 3.32Å; D865-R867 WeakPolarHBondContact OD1-CG 3.27Å; D865-R867 IonicContact OD1-CZ 4Å; D865-R867 PolarHBondContact OD1-N 2.83Å; D865-R867 IonicContact OD1-NE 3.05Å; D865-R867 PolarHBondContact OD1-NE 3.08Å; D865-R867 IonicContact OD2-CZ 3.25Å; D865-R867 VanDerWaalsContact OD2-CZ 3.25Å; D865-R867 IonicContact OD2-NE 2.99Å; D865-R867 PolarHBondContact OD2-NE 3.34Å; D865-R867 IonicContact OD2-NH2 2.7Å; D865-R867 PolarHBondContact OD2-NH2 3.18Å; R867-V869 VanDerWaalsContact C-N 3.28Å; R867-V869 HydrophobicContact CB-CG2 3.88Å; R867-V869 PolarHBondContact O-N 3.45Å; R867-V901 VanDerWaalsContact CZ-C 3.48Å; R867-V901 PolarHBondContact NE-O 3.18Å; R867-V901 PolarHBondContact NH1-O 2.79Å; R867-V901 PolarHBondContact NH2-O 3.05Å
868	N	93.9	Very high	96.1	Very high	63 Å²	63	47.2 Å²	47.2	34%	0.337	23%	0.233	S	C	.	.			trans	53.7	45.1	179.1	-160.5	80.2	0	0	0	112	P828 D865 P866	P828-N868 CarbonylContact O-C 3.37Å; P828-N868 WeakPolarHBondContact O-CA 3.45Å; P828-N868 PolarHBondContact O-OD1 2.89Å; D865-N868 PolarHBondContact O-N 3.01Å; P866-N868 VanDerWaalsContact C-N 3.33Å
869	V	95.1	Very high	96.2	Very high	65 Å²	65	46.8 Å²	46.8	39%	0.394	23%	0.231	S	C	.	.			trans	-106.1	122.1	-178	178.2	0	0	0	0	108.9	W809 G829 R867	W809-V869 PolarHBondContact NE1-O 3.35Å; G829-V869 WeakPolarHBondContact CA-O 3.5Å; R867-V869 VanDerWaalsContact C-N 3.28Å; R867-V869 HydrophobicContact CB-CG2 3.88Å; R867-V869 PolarHBondContact O-N 3.45Å
870	G	95.3	Very high	96.2	Very high	10 Å²	10	48.7 Å²	48.7	10%	0.103	24%	0.239	C	C	.	.			trans	-74.2	166	174	0	0	0	0	0	113.2	K810 Q811	K810-G870 WeakPolarHBondContact O-CA 3.28Å; Q811-G870 WeakPolarHBondContact O-CA 3.5Å
871	W	96.1	Very high	96.2	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.015	23%	0.226	C	C	.	.			trans	-65	158.3	172.3	50.1	-101.4	0	0	0	111.3	F781 V783 D790 W809 Q811 Y877 Q924	F781-W871 HydrophobicContact CE1-CB 3.81Å; F781-W871 AromaticContact CE1-CG 3.91Å; F781-W871 HydrophobicContact CE1-CG 3.91Å; F781-W871 HydrophobicContact CZ-CG 4.22Å; V783-W871 HydrophobicContact CB-CE3 4.3Å; V783-W871 HydrophobicContact CB-CH2 4.48Å; V783-W871 HydrophobicContact CB-CZ3 4.06Å; V783-W871 HydrophobicContact CG1-CH2 4.09Å; V783-W871 HydrophobicContact CG1-CZ3 4.01Å; V783-W871 HydrophobicContact CG2-CD2 4.31Å; V783-W871 HydrophobicContact CG2-CE3 4.15Å; V783-W871 HydrophobicContact CG2-CH2 4.36Å; V783-W871 HydrophobicContact CG2-CZ2 4.47Å; V783-W871 HydrophobicContact CG2-CZ3 4.18Å; D790-W871 WeakPolarHBondContact O-CZ2 3.46Å; D790-W871 PolarHBondContact O-NE1 2.82Å; W809-W871 HydrophobicContact CD2-CB 3.86Å; W809-W871 AromaticContact CD2-CD1 3.92Å; W809-W871 HydrophobicContact CD2-CG 4.32Å; W809-W871 HydrophobicContact CE3-CB 3.71Å; W809-W871 HydrophobicContact CE3-CG 4.38Å; W809-W871 AromaticContact CG-CD1 3.83Å; W809-W871 HydrophobicContact CH2-CB 3.72Å; W809-W871 HydrophobicContact CZ2-CB 3.89Å; W809-W871 HydrophobicContact CZ3-CB 3.63Å; W809-W871 PolarHBondContact O-NE1 2.84Å; W809-W871 VanDerWaalsContact O-NE1 3.13Å; Q811-W871 HydrophobicContact CB-CD2 3.68Å; Q811-W871 VanDerWaalsContact CB-CE2 3.47Å; Q811-W871 HydrophobicContact CB-CE3 3.98Å; Q811-W871 HydrophobicContact CB-CG 4.28Å; Q811-W871 HydrophobicContact CB-CH2 3.84Å; Q811-W871 HydrophobicContact CB-CZ2 3.56Å; Q811-W871 HydrophobicContact CB-CZ3 4.05Å; Q811-W871 HydrophobicContact CG-CD2 4.45Å; Q811-W871 HydrophobicContact CG-CE3 4.34Å; Q811-W871 HydrophobicContact CG-CZ3 4.37Å; Q811-W871 WeakPolarHBondContact CG-O 3.42Å; Q811-W871 PolarHBondContact NE2-O 3.39Å; W871-Y877 HydrophobicContact CB-CE2 4.15Å; W871-Q924 VanDerWaalsContact CZ2-OE1 3.32Å
872	R	95.9	Very high	96.3	Very high	132 Å²	132	44.4 Å²	44.4	50%	0.498	22%	0.223	S	C	.	.			trans	-108.4	145.6	177.2	-62.9	-178.3	-167.2	145.1	16.7	110.4	T875 Y877 E896	R872-T875 WeakPolarHBondContact CB-OG1 3.41Å; R872-T875 WeakPolarHBondContact O-CB 3.13Å; R872-T875 PolarHBondContact O-N 3.5Å; R872-Y877 PolarHBondContact N-OH 2.72Å; R872-E896 IonicContact CZ-OE1 3.39Å; R872-E896 IonicContact NH1-OE1 2.72Å; R872-E896 PolarHBondContact NH1-OE1 2.91Å; R872-E896 IonicContact NH2-OE1 3.66Å; R872-E896 IonicContact NH2-OE2 3.79Å
873	D	96.1	Very high	96.3	Very high	59 Å²	59	43 Å²	43	32%	0.316	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	139.7	175.9	-49.8	-22.3	0	0	0	111	V786 Q811 T875	V786-D873 HydrophobicContact CG1-CB 3.99Å; Q811-D873 PolarHBondContact NE2-OD1 3.38Å; D873-T875 PolarHBondContact O-N 2.72Å; D873-T875 PolarHBondContact O-OG1 2.97Å
874	K	95	Very high	96.2	Very high	119 Å²	119	41.4 Å²	41.4	52%	0.517	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	39.1	174.1	-57.7	-167.3	170.1	-148.9	0	113.4	H782 V783	H782-K874 VanDerWaalsContact CE1-C 3.43Å; V783-K874 WeakPolarHBondContact O-CA 3.27Å; V783-K874 PolarHBondContact O-N 2.92Å
875	T	96.1	Very high	96.2	Very high	35 Å²	35	39.3 Å²	39.3	22%	0.215	20%	0.196	C	C	.	.			trans	-124.2	128	-179.8	-55.8	0	0	0	0	108.6	R872 D873 Y877 E896	R872-T875 WeakPolarHBondContact CB-OG1 3.41Å; R872-T875 WeakPolarHBondContact O-CB 3.13Å; R872-T875 PolarHBondContact O-N 3.5Å; D873-T875 PolarHBondContact O-N 2.72Å; D873-T875 PolarHBondContact O-OG1 2.97Å; T875-Y877 HydrophobicContact CG2-CD2 4.47Å; T875-Y877 HydrophobicContact CG2-CE1 4.24Å; T875-Y877 HydrophobicContact CG2-CE2 3.73Å; T875-Y877 VanDerWaalsContact O-CD2 3.28Å; T875-Y877 WeakPolarHBondContact O-CD2 3.39Å; T875-Y877 VanDerWaalsContact O-CE2 3.32Å; T875-Y877 WeakPolarHBondContact O-CE2 3.11Å; T875-E896 HydrophobicContact CG2-CG 4.42Å
876	S	96.8	Very high	95.9	Very high	10 Å²	10	43.4 Å²	43.4	7%	0.07	22%	0.215	C	C	.	.			trans	-86.4	138.2	178.1	-59.4	0	0	0	0	112.2	D460 P487 H782	D460-S876 WeakPolarHBondContact CA-OG 3.48Å; D460-S876 WeakPolarHBondContact O-CB 3.45Å; D460-S876 PolarHBondContact O-OG 2.77Å; P487-S876 WeakPolarHBondContact CG-OG 3.4Å; H782-S876 PolarHBondContact ND1-OG 3Å
877	Y	97.6	Very high	95.9	Very high	4 Å²	4	40 Å²	40	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	141.3	175.4	-59.1	-88.5	0	0	0	109.3	T780 F781 W809 W871 R872 T875 Y895 E896	T780-Y877 CarbonylContact C-O 3.59Å; T780-Y877 VanDerWaalsContact CA-O 3.31Å; T780-Y877 WeakPolarHBondContact CA-O 3.32Å; F781-Y877 AromaticContact CD1-CD2 3.95Å; F781-Y877 HydrophobicContact CD1-CD2 3.95Å; F781-Y877 HydrophobicContact CE1-CD2 4.49Å; F781-Y877 PolarHBondContact N-O 2.81Å; F781-Y877 PolarHBondContact O-N 2.81Å; W809-Y877 AromaticContact CH2-CD1 3.69Å; W809-Y877 HydrophobicContact CH2-CD1 3.69Å; W809-Y877 AromaticContact CH2-CD2 3.96Å; W809-Y877 HydrophobicContact CH2-CD2 3.96Å; W809-Y877 AromaticContact CH2-CE1 3.58Å; W809-Y877 HydrophobicContact CH2-CE1 3.58Å; W809-Y877 AromaticContact CH2-CE2 3.84Å; W809-Y877 HydrophobicContact CH2-CE2 3.84Å; W809-Y877 AromaticContact CH2-CG 3.88Å; W809-Y877 HydrophobicContact CH2-CG 3.88Å; W809-Y877 AromaticContact CH2-CZ 3.64Å; W809-Y877 AromaticContact CZ3-CD1 3.93Å; W809-Y877 HydrophobicContact CZ3-CD1 3.93Å; W809-Y877 AromaticContact CZ3-CD2 3.62Å; W809-Y877 HydrophobicContact CZ3-CD2 3.62Å; W809-Y877 HydrophobicContact CZ3-CE1 4.2Å; W809-Y877 AromaticContact CZ3-CE2 3.89Å; W809-Y877 HydrophobicContact CZ3-CE2 3.89Å; W809-Y877 AromaticContact CZ3-CG 3.63Å; W809-Y877 HydrophobicContact CZ3-CG 3.63Å; W871-Y877 HydrophobicContact CB-CE2 4.15Å; R872-Y877 PolarHBondContact N-OH 2.72Å; T875-Y877 HydrophobicContact CG2-CD2 4.47Å; T875-Y877 HydrophobicContact CG2-CE1 4.24Å; T875-Y877 HydrophobicContact CG2-CE2 3.73Å; T875-Y877 VanDerWaalsContact O-CD2 3.28Å; T875-Y877 WeakPolarHBondContact O-CD2 3.39Å; T875-Y877 VanDerWaalsContact O-CE2 3.32Å; T875-Y877 WeakPolarHBondContact O-CE2 3.11Å; Y877-Y895 CarbonylContact C-O 3.04Å; Y877-Y895 WeakPolarHBondContact CA-O 3.43Å; Y877-Y895 WeakPolarHBondContact CB-O 3.33Å; Y877-E896 HydrophobicContact CD1-CB 3.83Å; Y877-E896 HydrophobicContact CD1-CG 4.13Å; Y877-E896 HydrophobicContact CE1-CB 3.73Å; Y877-E896 HydrophobicContact CE1-CG 3.62Å
878	R	98	Very high	95.9	Very high	13 Å²	13	35 Å²	35	5%	0.049	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.7	172.1	-171.7	158.8	-175.6	101.3	-7.3	110	V446 I461 E778 G779 T780 L894 Y895 N931	V446-R878 HydrophobicContact CG1-CB 3.7Å; V446-R878 HydrophobicContact CG1-CG 4.25Å; I461-R878 HydrophobicContact CD1-CB 4.34Å; I461-R878 HydrophobicContact CG2-CB 4Å; I461-R878 HydrophobicContact CG2-CG 4.44Å; E778-R878 VanDerWaalsContact CD-NH2 3.29Å; E778-R878 IonicContact OE1-CZ 3.64Å; E778-R878 IonicContact OE1-NE 2.64Å; E778-R878 IonicContact OE1-NH2 3.1Å; E778-R878 PolarHBondContact OE1-NH2 2.82Å; E778-R878 IonicContact OE2-NE 2.96Å; E778-R878 IonicContact OE2-NH2 2.65Å; G779-R878 WeakPolarHBondContact O-CA 3.39Å; T780-R878 PolarHBondContact OG1-NH1 3.22Å; R878-L894 CarbonylContact O-C 3.51Å; R878-L894 WeakPolarHBondContact O-CA 3.35Å; R878-Y895 PolarHBondContact N-O 3.44Å; R878-Y895 WeakPolarHBondContact O-CD2 3.45Å; R878-Y895 PolarHBondContact O-N 2.92Å; R878-N931 PolarHBondContact NH1-ND2 3.19Å; R878-N931 VanDerWaalsContact NH1-ND2 3.12Å; R878-N931 PolarHBondContact NH1-O 3.14Å
879	W	97.9	Very high	96.1	Very high	5 Å²	5	32 Å²	32	2%	0.019	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	153	170.8	73.6	79.9	0	0	0	110.3	F777 E778 G779 F781 F794 K893 L894 W929 L932	F777-W879 HydrophobicContact CE1-CZ2 4.31Å; F777-W879 HydrophobicContact CZ-CZ2 4.1Å; E778-W879 VanDerWaalsContact CA-O 3.3Å; E778-W879 WeakPolarHBondContact CA-O 2.97Å; E778-W879 WeakPolarHBondContact CB-O 3.37Å; G779-W879 PolarHBondContact N-O 2.84Å; G779-W879 VanDerWaalsContact O-CD2 3.29Å; G779-W879 PolarHBondContact O-N 3.04Å; F781-W879 HydrophobicContact CB-CE3 3.75Å; F781-W879 HydrophobicContact CB-CZ3 3.65Å; F794-W879 HydrophobicContact CB-CZ2 4.41Å; F794-W879 AromaticContact CD1-CD1 3.88Å; F794-W879 AromaticContact CD1-CD2 3.64Å; F794-W879 HydrophobicContact CD1-CD2 3.64Å; F794-W879 AromaticContact CD1-CE2 3.63Å; F794-W879 HydrophobicContact CD1-CE3 4.2Å; F794-W879 AromaticContact CD1-CG 3.83Å; F794-W879 HydrophobicContact CD1-CG 3.83Å; F794-W879 HydrophobicContact CD1-CZ2 4.22Å; F794-W879 AromaticContact CD1-NE1 3.75Å; F794-W879 HydrophobicContact CE1-CB 3.79Å; F794-W879 AromaticContact CE1-CD1 3.35Å; F794-W879 AromaticContact CE1-CD2 3.66Å; F794-W879 HydrophobicContact CE1-CD2 3.66Å; F794-W879 AromaticContact CE1-CE2 3.93Å; F794-W879 HydrophobicContact CE1-CE3 4.45Å; F794-W879 AromaticContact CE1-CG 3.3Å; F794-W879 HydrophobicContact CE1-CG 3.3Å; F794-W879 AromaticContact CE1-NE1 3.71Å; F794-W879 HydrophobicContact CG-CD2 4.5Å; F794-W879 HydrophobicContact CG-CZ2 4.38Å; F794-W879 AromaticContact CG-NE1 3.99Å; F794-W879 HydrophobicContact CZ-CB 4.34Å; F794-W879 AromaticContact CZ-CD1 3.47Å; F794-W879 VanDerWaalsContact CZ-CD1 3.47Å; F794-W879 AromaticContact CZ-CG 3.87Å; F794-W879 HydrophobicContact CZ-CG 3.87Å; F794-W879 AromaticContact CZ-NE1 3.91Å; W879-K893 CarbonylContact C-O 3.59Å; W879-K893 VanDerWaalsContact CA-O 3.29Å; W879-K893 WeakPolarHBondContact CA-O 3.06Å; W879-L894 HydrophobicContact CB-CD1 4.07Å; W879-W929 HydrophobicContact CH2-CB 4.07Å; W879-W929 AromaticContact CH2-CD1 3.45Å; W879-W929 VanDerWaalsContact CH2-CD1 3.45Å; W879-W929 HydrophobicContact CH2-CG 4.14Å; W879-W929 AromaticContact CZ3-CD1 3.75Å; W879-L932 HydrophobicContact CH2-CD2 3.65Å; W879-L932 HydrophobicContact CZ2-CD2 3.54Å
880	Q	97.6	Very high	96.2	Very high	40 Å²	40	28.9 Å²	28.9	19%	0.187	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	116.5	168.1	-57.7	-174.3	-50.6	0	0	108.3	E778 V892 K893 Y895	E778-Q880 HydrophobicContact CB-CB 4.48Å; E778-Q880 HydrophobicContact CB-CG 4.11Å; E778-Q880 WeakPolarHBondContact OE2-CG 3.49Å; E778-Q880 PolarHBondContact OE2-NE2 3.05Å; Q880-V892 CarbonylContact O-C 3.56Å; Q880-V892 WeakPolarHBondContact O-CA 3.32Å; Q880-K893 HydrophobicContact CB-CB 4.32Å; Q880-K893 PolarHBondContact N-O 2.8Å; Q880-K893 PolarHBondContact O-N 2.83Å; Q880-Y895 HydrophobicContact CG-CE2 3.97Å; Q880-Y895 PolarHBondContact OE1-OH 3.02Å
881	L	98.3	Very high	96.3	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	132.3	171.6	173.9	72.3	0	0	0	108.6	D776 F777 F794 F796 H883 I890 R891 V892	D776-L881 CarbonylContact C-O 3.56Å; D776-L881 VanDerWaalsContact CA-O 3.3Å; D776-L881 WeakPolarHBondContact CA-O 3.2Å; F777-L881 HydrophobicContact CB-CB 4.26Å; F777-L881 HydrophobicContact CB-CD2 4.19Å; F777-L881 PolarHBondContact N-O 2.65Å; F777-L881 WeakPolarHBondContact O-CA 3.36Å; F777-L881 VanDerWaalsContact O-CB 3.3Å; F777-L881 WeakPolarHBondContact O-CB 3.32Å; F777-L881 PolarHBondContact O-N 2.99Å; F794-L881 HydrophobicContact CE2-CB 4.05Å; F794-L881 HydrophobicContact CE2-CD2 4.15Å; F794-L881 HydrophobicContact CZ-CB 4.31Å; F796-L881 HydrophobicContact CB-CD2 3.53Å; F796-L881 HydrophobicContact CD1-CD1 4.04Å; F796-L881 HydrophobicContact CD1-CD2 3.49Å; F796-L881 VanDerWaalsContact CD1-CD2 3.49Å; F796-L881 HydrophobicContact CD1-CG 4.42Å; F796-L881 HydrophobicContact CD2-CD2 3.88Å; F796-L881 HydrophobicContact CE1-CD1 3.76Å; F796-L881 HydrophobicContact CE1-CD2 4.09Å; F796-L881 HydrophobicContact CE2-CD1 4.28Å; F796-L881 HydrophobicContact CE2-CD2 4.43Å; F796-L881 HydrophobicContact CG-CD1 4.42Å; F796-L881 HydrophobicContact CG-CD2 3.35Å; F796-L881 HydrophobicContact CZ-CD1 3.88Å; L881-H883 HydrophobicContact CD2-CB 4.41Å; L881-H883 HydrophobicContact CG-CB 4.39Å; L881-I890 HydrophobicContact CD1-CG2 4.18Å; L881-R891 CarbonylContact C-O 3.51Å; L881-R891 WeakPolarHBondContact CA-O 3.37Å; L881-V892 HydrophobicContact CD1-CG2 3.75Å
882	L	97.9	Very high	96.4	Very high	31 Å²	31	30.2 Å²	30.2	16%	0.162	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.6	164.6	-66.8	81.1	0	0	0	107.4	D776 Y889 I890 R891 P941	D776-L882 WeakPolarHBondContact OD1-CG 3.44Å; L882-Y889 HydrophobicContact CB-CE1 3.95Å; L882-I890 CarbonylContact O-C 3.31Å; L882-I890 WeakPolarHBondContact O-CA 3.49Å; L882-R891 HydrophobicContact CB-CB 4.49Å; L882-R891 PolarHBondContact N-O 2.78Å; L882-R891 PolarHBondContact O-N 2.72Å; L882-P941 HydrophobicContact CD2-CG 4.22Å
883	H	97.7	Very high	96.5	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.2	-180	-170.2	36	0	0	0	111.8	V775 F796 S797 L881 P885 Y889 I890	V775-H883 HydrophobicContact CG1-CB 4.23Å; V775-H883 PolarHBondContact N-O 3.06Å; V775-H883 PolarHBondContact O-N 2.87Å; F796-H883 HydrophobicContact CD2-CB 4.32Å; F796-H883 AromaticContact CD2-CD2 3.55Å; F796-H883 AromaticContact CD2-CG 3.88Å; F796-H883 AromaticContact CD2-NE2 3.96Å; F796-H883 HydrophobicContact CE2-CB 4.39Å; F796-H883 AromaticContact CE2-CD2 3.8Å; F796-H883 AromaticContact CE2-CG 3.82Å; F796-H883 AromaticContact CE2-ND1 3.98Å; F796-H883 AromaticContact CE2-NE2 3.91Å; S797-H883 PolarHBondContact OG-CD2 2.86Å; S797-H883 PolarHBondContact OG-NE2 2.72Å; L881-H883 HydrophobicContact CD2-CB 4.41Å; L881-H883 HydrophobicContact CG-CB 4.39Å; H883-P885 WeakPolarHBondContact NE2-CG 3.41Å; H883-Y889 CarbonylContact C-O 3.3Å; H883-Y889 WeakPolarHBondContact CA-O 3.38Å; H883-Y889 PolarHBondContact ND1-O 2.91Å; H883-I890 VanDerWaalsContact ND1-CG1 3.32Å; H883-I890 WeakPolarHBondContact ND1-CG1 3.44Å
884	R	97	Very high	96.5	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.008	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	81.2	174.6	-49.4	-69.9	179	-88.4	1.8	110.2	V775 D776 Q886 V887 G888 Y889 N937 T939	V775-R884 PolarHBondContact O-NH1 3.49Å; V775-R884 VanDerWaalsContact O-NH1 3.15Å; D776-R884 IonicContact OD1-CZ 3.73Å; D776-R884 VanDerWaalsContact OD1-CZ 3.23Å; D776-R884 IonicContact OD1-NH1 3.84Å; D776-R884 PolarHBondContact OD1-NH1 3.39Å; D776-R884 IonicContact OD1-NH2 3.01Å; D776-R884 PolarHBondContact OD1-NH2 3.25Å; D776-R884 IonicContact OD2-NH2 2.69Å; D776-R884 PolarHBondContact OD2-NH2 2.84Å; R884-Q886 VanDerWaalsContact C-N 3.29Å; R884-Q886 VanDerWaalsContact CB-OE1 3.22Å; R884-Q886 PolarHBondContact O-N 3.23Å; R884-Q886 PolarHBondContact O-OE1 3.44Å; R884-V887 HydrophobicContact CB-CG2 4.06Å; R884-V887 PolarHBondContact O-N 3.15Å; R884-G888 PolarHBondContact O-N 2.91Å; R884-Y889 HydrophobicContact CG-CD1 4.3Å; R884-Y889 PolarHBondContact N-O 3.19Å; R884-Y889 PolarHBondContact O-N 3.42Å; R884-N937 WeakPolarHBondContact CD-O 3.35Å; R884-N937 PolarHBondContact NE-O 3.02Å; R884-N937 PolarHBondContact NH1-O 2.78Å; R884-N937 PolarHBondContact NH2-ND2 3.33Å; R884-T939 PolarHBondContact NE-O 3.47Å
885	P	94.4	Very high	96.6	Very high	4 Å²	4	19.3 Å²	19.3	3%	0.026	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-39.8	-44.5	173.1	-40.2	41.6	0	0	0	117.5	N773 H883 V887 G888 R913	N773-P885 VanDerWaalsContact O-CB 3.3Å; N773-P885 WeakPolarHBondContact O-CB 3.48Å; N773-P885 WeakPolarHBondContact O-CD 3.47Å; N773-P885 WeakPolarHBondContact O-CG 3.4Å; H883-P885 WeakPolarHBondContact NE2-CG 3.41Å; P885-V887 PolarHBondContact O-N 3.38Å; P885-G888 PolarHBondContact O-N 3.19Å; P885-R913 VanDerWaalsContact CB-C 3.42Å; P885-R913 HydrophobicContact CB-CB 4.38Å; P885-R913 WeakPolarHBondContact CB-O 3.29Å
886	Q	90.6	Very high	96.6	Very high	91 Å²	91	20.3 Å²	20.3	43%	0.425	10%	0.096	S	C	.	.	G	3₁₀ helix	trans	-53.7	-28.1	-178.8	66.2	-81.3	44.3	0	0	113.5	R884 D938 V940	R884-Q886 VanDerWaalsContact C-N 3.29Å; R884-Q886 VanDerWaalsContact CB-OE1 3.22Å; R884-Q886 PolarHBondContact O-N 3.23Å; R884-Q886 PolarHBondContact O-OE1 3.44Å; Q886-D938 PolarHBondContact NE2-O 3.39Å; Q886-V940 HydrophobicContact CG-CG2 4.45Å
887	V	92.7	Very high	96.2	Very high	44 Å²	44	20.7 Å²	20.7	27%	0.267	10%	0.101	S	C	.	.	G	3₁₀ helix	trans	-123	4.3	175.2	-65.7	0	0	0	0	113.2	R884 P885 Y889 V940 F944	R884-V887 HydrophobicContact CB-CG2 4.06Å; R884-V887 PolarHBondContact O-N 3.15Å; P885-V887 PolarHBondContact O-N 3.38Å; V887-Y889 VanDerWaalsContact C-N 3.27Å; V887-Y889 PolarHBondContact O-N 3.36Å; V887-V940 HydrophobicContact CG1-CG2 4.4Å; V887-V940 HydrophobicContact CG2-CG1 4.03Å; V887-V940 HydrophobicContact CG2-CG2 3.97Å; V887-F944 HydrophobicContact CB-CE1 4.03Å; V887-F944 HydrophobicContact CB-CE2 4.13Å; V887-F944 HydrophobicContact CB-CZ 3.62Å; V887-F944 HydrophobicContact CG1-CE1 4.08Å; V887-F944 HydrophobicContact CG1-CZ 4.11Å; V887-F944 HydrophobicContact CG2-CE1 4.25Å; V887-F944 HydrophobicContact CG2-CE2 4.15Å; V887-F944 HydrophobicContact CG2-CZ 4Å
888	G	93.9	Very high	96	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	20.4	-175.3	0	0	0	0	0	115.1	R884 P885 I890 I908 D909	R884-G888 PolarHBondContact O-N 2.91Å; P885-G888 PolarHBondContact O-N 3.19Å; G888-I890 PolarHBondContact O-N 3.24Å; G888-I908 CarbonylContact O-C 3.49Å; G888-I908 VanDerWaalsContact O-CA 3.25Å; G888-I908 WeakPolarHBondContact O-CA 3.31Å; G888-D909 CarbonylContact C-O 3.53Å; G888-D909 WeakPolarHBondContact CA-O 3.16Å; G888-D909 PolarHBondContact O-N 2.91Å
889	Y	97.3	Very high	95.8	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	130.2	-178	175.9	-79.4	0	0	0	110.1	L882 H883 R884 V887 R891 V906 P941 D943 F944	L882-Y889 HydrophobicContact CB-CE1 3.95Å; H883-Y889 CarbonylContact C-O 3.3Å; H883-Y889 WeakPolarHBondContact CA-O 3.38Å; H883-Y889 PolarHBondContact ND1-O 2.91Å; R884-Y889 HydrophobicContact CG-CD1 4.3Å; R884-Y889 PolarHBondContact N-O 3.19Å; R884-Y889 PolarHBondContact O-N 3.42Å; V887-Y889 VanDerWaalsContact C-N 3.27Å; V887-Y889 PolarHBondContact O-N 3.36Å; Y889-R891 HydrophobicContact CE1-CB 3.74Å; Y889-R891 VanDerWaalsContact OH-CD 3.26Å; Y889-R891 WeakPolarHBondContact OH-CD 3.45Å; Y889-V906 HydrophobicContact CD2-CG1 3.64Å; Y889-V906 HydrophobicContact CE2-CB 4.2Å; Y889-V906 HydrophobicContact CE2-CG1 3.66Å; Y889-V906 HydrophobicContact CE2-CG2 3.69Å; Y889-P941 HydrophobicContact CD1-CG 4.23Å; Y889-P941 HydrophobicContact CE1-CB 4.39Å; Y889-P941 HydrophobicContact CE1-CG 3.7Å; Y889-P941 HydrophobicContact CE2-CB 4.16Å; Y889-P941 HydrophobicContact CE2-CG 4.25Å; Y889-D943 PolarHBondContact OH-OD1 2.82Å; Y889-F944 HydrophobicContact CD2-CB 4.05Å; Y889-F944 AromaticContact CD2-CD2 3.91Å; Y889-F944 HydrophobicContact CD2-CD2 3.91Å; Y889-F944 HydrophobicContact CD2-CG 4.37Å; Y889-F944 HydrophobicContact CE2-CB 4.35Å
890	I	98.3	Very high	95.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	133.2	172.6	-59.9	164.3	0	0	0	108.2	F796 Y805 L832 L862 L881 L882 H883 G888 I907 D909	F796-I890 HydrophobicContact CE2-CD1 4.19Å; F796-I890 HydrophobicContact CE2-CG1 4.19Å; F796-I890 HydrophobicContact CE2-CG2 4.36Å; F796-I890 HydrophobicContact CZ-CD1 4.21Å; F796-I890 HydrophobicContact CZ-CG1 4.34Å; F796-I890 HydrophobicContact CZ-CG2 3.81Å; Y805-I890 HydrophobicContact CD1-CD1 4.27Å; Y805-I890 HydrophobicContact CE1-CD1 3.99Å; Y805-I890 HydrophobicContact CE2-CD1 4.29Å; L832-I890 HydrophobicContact CD2-CG2 3.75Å; L862-I890 HydrophobicContact CD1-CD1 4.23Å; L881-I890 HydrophobicContact CD1-CG2 4.18Å; L882-I890 CarbonylContact O-C 3.31Å; L882-I890 WeakPolarHBondContact O-CA 3.49Å; H883-I890 VanDerWaalsContact ND1-CG1 3.32Å; H883-I890 WeakPolarHBondContact ND1-CG1 3.44Å; G888-I890 PolarHBondContact O-N 3.24Å; I890-I907 HydrophobicContact CB-CB 4.18Å; I890-I907 PolarHBondContact N-O 2.93Å; I890-I907 PolarHBondContact O-N 2.87Å; I890-D909 HydrophobicContact CD1-CB 3.8Å
891	R	97.9	Very high	95.6	Very high	40 Å²	40	33.8 Å²	33.8	15%	0.151	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	131	168.3	-177.4	171.3	-174.3	-179.6	7.1	111.1	L881 L882 Y889 K893 D903 S904 G905 D943	L881-R891 CarbonylContact C-O 3.51Å; L881-R891 WeakPolarHBondContact CA-O 3.37Å; L882-R891 HydrophobicContact CB-CB 4.49Å; L882-R891 PolarHBondContact N-O 2.78Å; L882-R891 PolarHBondContact O-N 2.72Å; Y889-R891 HydrophobicContact CE1-CB 3.74Å; Y889-R891 VanDerWaalsContact OH-CD 3.26Å; Y889-R891 WeakPolarHBondContact OH-CD 3.45Å; R891-K893 VanDerWaalsContact NE-CE 3.28Å; R891-D903 IonicContact CZ-OD1 2.73Å; R891-D903 IonicContact CZ-OD2 2.86Å; R891-D903 IonicContact NE-OD1 3.73Å; R891-D903 PolarHBondContact NE-OD1 3.41Å; R891-D903 IonicContact NE-OD2 2.6Å; R891-D903 IonicContact NH2-OD1 3.51Å; R891-D903 IonicContact NH2-OD2 2.9Å; R891-D903 PolarHBondContact NH2-OD2 2.03Å; R891-S904 WeakPolarHBondContact CA-OG 3.35Å; R891-G905 WeakPolarHBondContact CG-O 3.25Å; R891-D943 IonicContact CZ-OD2 3.54Å; R891-D943 IonicContact NH1-OD2 3.68Å; R891-D943 PolarHBondContact NH1-OD2 2.72Å
892	V	98.1	Very high	95.5	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.2	176.6	-177.4	0	0	0	0	108.8	F794 V807 L830 Q880 L881 D903 S904	F794-V892 HydrophobicContact CZ-CG1 4.42Å; V807-V892 HydrophobicContact CG1-CG1 4.34Å; V807-V892 HydrophobicContact CG2-CG1 4.48Å; V807-V892 HydrophobicContact CG2-CG2 3.87Å; L830-V892 HydrophobicContact CD2-CG1 4.1Å; Q880-V892 CarbonylContact O-C 3.56Å; Q880-V892 WeakPolarHBondContact O-CA 3.32Å; L881-V892 HydrophobicContact CD1-CG2 3.75Å; V892-D903 WeakPolarHBondContact O-CA 3.32Å; V892-S904 PolarHBondContact N-OG 3.42Å; V892-S904 PolarHBondContact O-N 3.44Å; V892-S904 PolarHBondContact O-OG 2.66Å
893	K	97.3	Very high	95.5	Very high	39 Å²	39	35 Å²	35	17%	0.17	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	146.2	171.3	-65.6	176	-173.8	167.8	0	109.3	W879 Q880 R891 Y895 L900 A902	W879-K893 CarbonylContact C-O 3.59Å; W879-K893 VanDerWaalsContact CA-O 3.29Å; W879-K893 WeakPolarHBondContact CA-O 3.06Å; Q880-K893 HydrophobicContact CB-CB 4.32Å; Q880-K893 PolarHBondContact N-O 2.8Å; Q880-K893 PolarHBondContact O-N 2.83Å; R891-K893 VanDerWaalsContact NE-CE 3.28Å; K893-Y895 HydrophobicContact CB-CE2 3.89Å; K893-L900 HydrophobicContact CB-CD1 3.77Å; K893-L900 HydrophobicContact CD-CD1 4.4Å; K893-L900 HydrophobicContact CG-CD1 4.16Å; K893-A902 CarbonylContact C-O 3.58Å; K893-A902 WeakPolarHBondContact CA-O 3.49Å
894	L	97.3	Very high	95.4	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	132.9	177.2	-169.8	75.8	0	0	0	109.6	W809 L830 R878 W879 V901 A902	W809-L894 HydrophobicContact CE3-CD2 4.13Å; W809-L894 HydrophobicContact CH2-CD2 3.61Å; W809-L894 HydrophobicContact CZ2-CD2 4.06Å; W809-L894 HydrophobicContact CZ3-CD1 4.49Å; W809-L894 HydrophobicContact CZ3-CD2 3.64Å; L830-L894 HydrophobicContact CD2-CB 4.25Å; L830-L894 HydrophobicContact CD2-CD2 4.33Å; R878-L894 CarbonylContact O-C 3.51Å; R878-L894 WeakPolarHBondContact O-CA 3.35Å; W879-L894 HydrophobicContact CB-CD1 4.07Å; L894-V901 HydrophobicContact CB-CG2 4.17Å; L894-V901 HydrophobicContact CD2-CG2 3.99Å; L894-V901 HydrophobicContact CG-CG2 4.02Å; L894-V901 WeakPolarHBondContact O-CG2 2.99Å; L894-V901 PolarHBondContact O-N 2.91Å; L894-A902 HydrophobicContact CB-CB 3.99Å; L894-A902 PolarHBondContact N-O 2.86Å; L894-A902 PolarHBondContact O-N 3.1Å; L894-A902 VanDerWaalsContact O-N 3.16Å
895	Y	96.9	Very high	95.3	Very high	37 Å²	37	36.6 Å²	36.6	15%	0.145	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	139.6	-179.9	-60	-100.7	0	0	0	110.5	V446 Y877 R878 Q880 K893 Q899 L900	V446-Y895 HydrophobicContact CB-CD1 4.35Å; V446-Y895 HydrophobicContact CB-CG 4.3Å; V446-Y895 HydrophobicContact CG1-CD1 4.46Å; V446-Y895 HydrophobicContact CG1-CD2 4.49Å; V446-Y895 HydrophobicContact CG1-CG 4.01Å; V446-Y895 HydrophobicContact CG2-CD2 4.31Å; V446-Y895 HydrophobicContact CG2-CE2 4.43Å; V446-Y895 HydrophobicContact CG2-CG 4.36Å; Y877-Y895 CarbonylContact C-O 3.04Å; Y877-Y895 WeakPolarHBondContact CA-O 3.43Å; Y877-Y895 WeakPolarHBondContact CB-O 3.33Å; R878-Y895 PolarHBondContact N-O 3.44Å; R878-Y895 WeakPolarHBondContact O-CD2 3.45Å; R878-Y895 PolarHBondContact O-N 2.92Å; Q880-Y895 HydrophobicContact CG-CE2 3.97Å; Q880-Y895 PolarHBondContact OE1-OH 3.02Å; K893-Y895 HydrophobicContact CB-CE2 3.89Å; Y895-Q899 CarbonylContact C-O 3.43Å; Y895-Q899 VanDerWaalsContact CA-O 3.23Å; Y895-Q899 WeakPolarHBondContact CA-O 3.2Å; Y895-L900 HydrophobicContact CD1-CB 3.94Å; Y895-L900 HydrophobicContact CD1-CD1 4.13Å; Y895-L900 HydrophobicContact CD2-CD1 4.28Å; Y895-L900 HydrophobicContact CE1-CB 3.78Å; Y895-L900 HydrophobicContact CE1-CD1 3.75Å; Y895-L900 HydrophobicContact CE1-CG 4.35Å; Y895-L900 HydrophobicContact CE2-CD1 3.91Å; Y895-L900 HydrophobicContact CG-CD1 4.38Å
896	E	94.9	Very high	95.4	Very high	56 Å²	56	37.2 Å²	37.2	26%	0.262	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	107.9	167.7	-176.7	-178	164.6	0	0	106.7	R872 T875 Y877 Q899 V901	R872-E896 IonicContact CZ-OE1 3.39Å; R872-E896 IonicContact NH1-OE1 2.72Å; R872-E896 PolarHBondContact NH1-OE1 2.91Å; R872-E896 IonicContact NH2-OE1 3.66Å; R872-E896 IonicContact NH2-OE2 3.79Å; T875-E896 HydrophobicContact CG2-CG 4.42Å; Y877-E896 HydrophobicContact CD1-CB 3.83Å; Y877-E896 HydrophobicContact CD1-CG 4.13Å; Y877-E896 HydrophobicContact CE1-CB 3.73Å; Y877-E896 HydrophobicContact CE1-CG 3.62Å; E896-Q899 PolarHBondContact N-O 2.81Å; E896-Q899 PolarHBondContact O-N 3.1Å; E896-Q899 VanDerWaalsContact O-N 3.13Å; E896-V901 HydrophobicContact CB-CG1 3.55Å; E896-V901 HydrophobicContact CB-CG2 4.2Å
897	G	89.8	Confident	95.6	Very high	18 Å²	18	34.3 Å²	34.3	19%	0.186	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	-131.2	-162.3	0	0	0	0	0	110.8	V446 Q899	V446-G897 WeakPolarHBondContact CG1-O 3.4Å; G897-Q899 VanDerWaalsContact C-N 3.31Å; G897-Q899 PolarHBondContact O-N 2.95Å
898	P	92.3	Very high	95.7	Very high	83 Å²	83	35.1 Å²	35.1	54%	0.539	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-2.4	179.3	33.7	-36.4	0	0	0	114.6	V446	V446-P898 WeakPolarHBondContact O-CA 3.49Å; V446-P898 WeakPolarHBondContact O-CB 3.38Å
899	Q	94.6	Very high	95.8	Very high	142 Å²	142	35.7 Å²	35.7	66%	0.664	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	124.4	-174.2	-63.2	-170.9	6.9	0	0	111.3	Y895 E896 G897 V901	Y895-Q899 CarbonylContact C-O 3.43Å; Y895-Q899 VanDerWaalsContact CA-O 3.23Å; Y895-Q899 WeakPolarHBondContact CA-O 3.2Å; E896-Q899 PolarHBondContact N-O 2.81Å; E896-Q899 PolarHBondContact O-N 3.1Å; E896-Q899 VanDerWaalsContact O-N 3.13Å; G897-Q899 VanDerWaalsContact C-N 3.31Å; G897-Q899 PolarHBondContact O-N 2.95Å; Q899-V901 PolarHBondContact O-N 2.85Å; Q899-V901 VanDerWaalsContact O-N 3.16Å
900	L	95.6	Very high	95.7	Very high	85 Å²	85	39.3 Å²	39.3	45%	0.445	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	112.5	168.3	-178.2	71.1	0	0	0	109.2	K893 Y895 A902 D903	K893-L900 HydrophobicContact CB-CD1 3.77Å; K893-L900 HydrophobicContact CD-CD1 4.4Å; K893-L900 HydrophobicContact CG-CD1 4.16Å; Y895-L900 HydrophobicContact CD1-CB 3.94Å; Y895-L900 HydrophobicContact CD1-CD1 4.13Å; Y895-L900 HydrophobicContact CD2-CD1 4.28Å; Y895-L900 HydrophobicContact CE1-CB 3.78Å; Y895-L900 HydrophobicContact CE1-CD1 3.75Å; Y895-L900 HydrophobicContact CE1-CG 4.35Å; Y895-L900 HydrophobicContact CE2-CD1 3.91Å; Y895-L900 HydrophobicContact CG-CD1 4.38Å; L900-A902 WeakPolarHBondContact CD1-O 3.39Å; L900-D903 HydrophobicContact CD2-CB 4.32Å
901	V	95.6	Very high	95.5	Very high	27 Å²	27	40.9 Å²	40.9	16%	0.164	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	-40.8	-177.9	-72.5	0	0	0	0	111.7	R867 L894 E896 Q899	R867-V901 VanDerWaalsContact CZ-C 3.48Å; R867-V901 PolarHBondContact NE-O 3.18Å; R867-V901 PolarHBondContact NH1-O 2.79Å; R867-V901 PolarHBondContact NH2-O 3.05Å; L894-V901 HydrophobicContact CB-CG2 4.17Å; L894-V901 HydrophobicContact CD2-CG2 3.99Å; L894-V901 HydrophobicContact CG-CG2 4.02Å; L894-V901 WeakPolarHBondContact O-CG2 2.99Å; L894-V901 PolarHBondContact O-N 2.91Å; E896-V901 HydrophobicContact CB-CG1 3.55Å; E896-V901 HydrophobicContact CB-CG2 4.2Å; Q899-V901 PolarHBondContact O-N 2.85Å; Q899-V901 VanDerWaalsContact O-N 3.16Å
902	A	95.8	Very high	95.3	Very high	5 Å²	5	39 Å²	39	4%	0.041	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	144.6	177.2	0	0	0	0	0	111.4	L830 W863 K893 L894 L900	L830-A902 HydrophobicContact CD2-CB 4.5Å; W863-A902 HydrophobicContact CH2-CB 4.18Å; K893-A902 CarbonylContact C-O 3.58Å; K893-A902 WeakPolarHBondContact CA-O 3.49Å; L894-A902 HydrophobicContact CB-CB 3.99Å; L894-A902 PolarHBondContact N-O 2.86Å; L894-A902 PolarHBondContact O-N 3.1Å; L894-A902 VanDerWaalsContact O-N 3.16Å; L900-A902 WeakPolarHBondContact CD1-O 3.39Å
903	D	96.9	Very high	95.2	Very high	53 Å²	53	43.2 Å²	43.2	28%	0.283	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	122.1	172.4	-173.5	-12.7	0	0	0	107	R891 V892 L900 G905	R891-D903 IonicContact CZ-OD1 2.73Å; R891-D903 IonicContact CZ-OD2 2.86Å; R891-D903 IonicContact NE-OD1 3.73Å; R891-D903 PolarHBondContact NE-OD1 3.41Å; R891-D903 IonicContact NE-OD2 2.6Å; R891-D903 IonicContact NH2-OD1 3.51Å; R891-D903 IonicContact NH2-OD2 2.9Å; R891-D903 PolarHBondContact NH2-OD2 2.03Å; V892-D903 WeakPolarHBondContact O-CA 3.32Å; L900-D903 HydrophobicContact CD2-CB 4.32Å; D903-G905 PolarHBondContact O-N 2.86Å; D903-G905 PolarHBondContact OD1-N 2.88Å
904	S	96.6	Very high	95.1	Very high	12 Å²	12	41.3 Å²	41.3	8%	0.084	23%	0.228	C	C	.	.			trans	-66.1	-19.6	177.5	64.9	0	0	0	0	112.7	R891 V892	R891-S904 WeakPolarHBondContact CA-OG 3.35Å; V892-S904 PolarHBondContact N-OG 3.42Å; V892-S904 PolarHBondContact O-N 3.44Å; V892-S904 PolarHBondContact O-OG 2.66Å
905	G	95.1	Very high	95	Very high	26 Å²	26	41.4 Å²	41.4	27%	0.268	23%	0.229	S	C	.	.			trans	65.3	-164.5	-159.5	0	0	0	0	0	110.8	R891 D903 I907	R891-G905 WeakPolarHBondContact CG-O 3.25Å; D903-G905 PolarHBondContact O-N 2.86Å; D903-G905 PolarHBondContact OD1-N 2.88Å; G905-I907 PolarHBondContact O-N 3.17Å
906	V	95.8	Very high	95.1	Very high	16 Å²	16	40.5 Å²	40.5	10%	0.097	23%	0.226	C	C	.	.			trans	-79.2	118.9	177.9	-177.7	0	0	0	0	109.4	Y889 I908 F947	Y889-V906 HydrophobicContact CD2-CG1 3.64Å; Y889-V906 HydrophobicContact CE2-CB 4.2Å; Y889-V906 HydrophobicContact CE2-CG1 3.66Å; Y889-V906 HydrophobicContact CE2-CG2 3.69Å; V906-I908 HydrophobicContact CG1-CG1 4.25Å; V906-F947 HydrophobicContact CB-CB 4.28Å; V906-F947 HydrophobicContact CB-CD1 3.77Å; V906-F947 HydrophobicContact CB-CD2 4.1Å; V906-F947 HydrophobicContact CB-CE1 4.05Å; V906-F947 HydrophobicContact CB-CE2 4.36Å; V906-F947 HydrophobicContact CB-CG 3.78Å; V906-F947 HydrophobicContact CB-CZ 4.34Å; V906-F947 HydrophobicContact CG1-CB 4.37Å; V906-F947 HydrophobicContact CG1-CD1 3.5Å; V906-F947 HydrophobicContact CG1-CE1 3.89Å; V906-F947 HydrophobicContact CG1-CG 3.96Å; V906-F947 HydrophobicContact CG2-CB 4.3Å; V906-F947 HydrophobicContact CG2-CG 4.29Å; V906-F947 VanDerWaalsContact O-CZ 3.24Å; V906-F947 WeakPolarHBondContact O-CZ 3.36Å
907	I	95.7	Very high	95.3	Very high	30 Å²	30	38 Å²	38	15%	0.154	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	139.7	168	-58.2	-60.2	0	0	0	107.4	L832 L862 W863 I890 G905	L832-I907 HydrophobicContact CD2-CG1 4.34Å; L832-I907 HydrophobicContact CD2-CG2 4.46Å; L862-I907 HydrophobicContact CB-CG2 4.24Å; L862-I907 HydrophobicContact CD1-CG2 4.31Å; W863-I907 HydrophobicContact CB-CD1 4.09Å; W863-I907 HydrophobicContact CB-CG1 4.38Å; W863-I907 HydrophobicContact CG-CD1 4.5Å; I890-I907 HydrophobicContact CB-CB 4.18Å; I890-I907 PolarHBondContact N-O 2.93Å; I890-I907 PolarHBondContact O-N 2.87Å; G905-I907 PolarHBondContact O-N 3.17Å
908	I	95.2	Very high	95.6	Very high	61 Å²	61	37.1 Å²	37.1	31%	0.313	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	115.7	175.7	-59.9	176.3	0	0	0	108.1	G888 V906 F944 F947	G888-I908 CarbonylContact O-C 3.49Å; G888-I908 VanDerWaalsContact O-CA 3.25Å; G888-I908 WeakPolarHBondContact O-CA 3.31Å; V906-I908 HydrophobicContact CG1-CG1 4.25Å; I908-F944 HydrophobicContact CD1-CD2 4.5Å; I908-F944 HydrophobicContact CD1-CE2 3.88Å; I908-F944 HydrophobicContact CG1-CE2 4.28Å; I908-F947 HydrophobicContact CD1-CD1 3.92Å; I908-F947 HydrophobicContact CD1-CE1 3.92Å; I908-F947 HydrophobicContact CG1-CD1 4.41Å; I908-F947 HydrophobicContact CG1-CE1 4.15Å
909	D	95.8	Very high	95.9	Very high	13 Å²	13	33.1 Å²	33.1	7%	0.07	18%	0.179	C	C	.	.			trans	-147.9	136.6	178.7	-154.4	-98.9	0	0	0	111.1	Y805 R860 L862 G888 I890 S911	Y805-D909 HydrophobicContact CE1-CB 4.22Å; Y805-D909 VanDerWaalsContact CE1-OD1 3.27Å; Y805-D909 WeakPolarHBondContact CE1-OD1 3.21Å; Y805-D909 PolarHBondContact OH-OD1 3.22Å; R860-D909 IonicContact CZ-OD2 3.75Å; R860-D909 IonicContact NH1-OD2 3.93Å; R860-D909 PolarHBondContact NH1-OD2 3.16Å; R860-D909 IonicContact NH2-OD1 2.76Å; R860-D909 PolarHBondContact NH2-OD1 3.36Å; R860-D909 IonicContact NH2-OD2 3.48Å; R860-D909 PolarHBondContact NH2-OD2 3.04Å; L862-D909 HydrophobicContact CD1-CB 4.11Å; G888-D909 CarbonylContact C-O 3.53Å; G888-D909 WeakPolarHBondContact CA-O 3.16Å; G888-D909 PolarHBondContact O-N 2.91Å; I890-D909 HydrophobicContact CD1-CB 3.8Å; D909-S911 WeakPolarHBondContact OD1-CB 3.26Å; D909-S911 PolarHBondContact OD1-N 3.05Å; D909-S911 PolarHBondContact OD1-OG 3.25Å
910	T	94.2	Very high	96	Very high	76 Å²	76	26.4 Å²	26.4	47%	0.466	15%	0.148	S	C	.	.			trans	-128.1	26.1	-176.1	65.9	0	0	0	0	111.7	M912	T910-M912 VanDerWaalsContact C-N 3.3Å
911	S	94	Very high	96.1	Very high	34 Å²	34	22.3 Å²	22.3	24%	0.238	13%	0.127	C	C	.	.	S	Bend	trans	-66.2	-35.2	179	-73.7	0	0	0	0	111.9	R803 Y805 R860 D909	R803-S911 PolarHBondContact NH2-O 2.9Å; Y805-S911 PolarHBondContact OH-N 2.65Å; R860-S911 PolarHBondContact NH2-OG 3.14Å; D909-S911 WeakPolarHBondContact OD1-CB 3.26Å; D909-S911 PolarHBondContact OD1-N 3.05Å; D909-S911 PolarHBondContact OD1-OG 3.25Å
912	M	94.9	Very high	96.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-130	134	175.9	-60.5	72.4	84.7	0	0	107.4	R803 F804 Y805 A834 T836 T910	R803-M912 HydrophobicContact CB-CG 4.26Å; F804-M912 VanDerWaalsContact O-CE 3.26Å; F804-M912 WeakPolarHBondContact O-CE 3.24Å; Y805-M912 HydrophobicContact CD1-CE 3.47Å; Y805-M912 VanDerWaalsContact CD1-CE 3.47Å; Y805-M912 HydrophobicContact CD2-CB 4.38Å; Y805-M912 HydrophobicContact CD2-CE 3.53Å; Y805-M912 HydrophobicContact CE1-CE 3.46Å; Y805-M912 VanDerWaalsContact CE1-CE 3.46Å; Y805-M912 HydrophobicContact CE1-SD 4.35Å; Y805-M912 HydrophobicContact CE2-CB 3.76Å; Y805-M912 HydrophobicContact CE2-CE 3.52Å; Y805-M912 HydrophobicContact CE2-CG 4.43Å; Y805-M912 HydrophobicContact CE2-SD 4.19Å; Y805-M912 HydrophobicContact CG-CE 3.48Å; Y805-M912 VanDerWaalsContact CG-CE 3.48Å; Y805-M912 VanDerWaalsContact CZ-CE 3.46Å; Y805-M912 PolarHBondContact OH-N 3.25Å; A834-M912 HydrophobicContact CB-CE 4.35Å; T836-M912 HydrophobicContact CG2-SD 4.1Å; T910-M912 VanDerWaalsContact C-N 3.3Å
913	R	95.3	Very high	96	Very high	90 Å²	90	21.3 Å²	21.3	34%	0.34	12%	0.12	S	C	.	.			trans	-110.2	46.6	-173.6	-64.8	-160.4	178.6	157	1.5	114	D628 G629 P643 S645 P885	D628-R913 WeakPolarHBondContact O-CD 3.09Å; D628-R913 PolarHBondContact O-NH1 2.94Å; G629-R913 WeakPolarHBondContact O-CB 3.23Å; G629-R913 PolarHBondContact O-N 3.28Å; P643-R913 HydrophobicContact CB-CB 3.91Å; P643-R913 HydrophobicContact CG-CB 4.23Å; P643-R913 VanDerWaalsContact CG-CD 3.5Å; S645-R913 PolarHBondContact OG-O 2.73Å; P885-R913 VanDerWaalsContact CB-C 3.42Å; P885-R913 HydrophobicContact CB-CB 4.38Å; P885-R913 WeakPolarHBondContact CB-O 3.29Å
914	G	94.8	Very high	95.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	119.2	-174	-177.6	0	0	0	0	0	109.7	S645 F772 S797	S645-G914 WeakPolarHBondContact OG-CA 3.18Å; F772-G914 WeakPolarHBondContact O-CA 3.25Å; S797-G914 VanDerWaalsContact CA-O 3.31Å; S797-G914 WeakPolarHBondContact CA-O 3.44Å; S797-G914 WeakPolarHBondContact CB-O 3.34Å
915	G	96.4	Very high	95.8	Very high	6 Å²	6	20.7 Å²	20.7	6%	0.062	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	130.6	-159.4	179.8	0	0	0	0	0	112.2	S645 F772	S645-G915 VanDerWaalsContact CB-N 3.31Å; S645-G915 PolarHBondContact OG-N 3.16Å; F772-G915 PolarHBondContact N-O 3.26Å; F772-G915 PolarHBondContact O-N 3.08Å
916	R	98	Very high	95.8	Very high	18 Å²	18	22.1 Å²	22.1	7%	0.068	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	161.5	-167.2	-59.1	-177.9	-71.9	154	-11.1	113.3	Q730 V767 G768 Y769 A771 F796 S797 Y798	Q730-R916 VanDerWaalsContact OE1-CZ 3.27Å; V767-R916 HydrophobicContact CG1-CB 3.67Å; G768-R916 WeakPolarHBondContact O-CB 3.37Å; G768-R916 WeakPolarHBondContact O-CD 3.45Å; Y769-R916 VanDerWaalsContact O-CD 3.24Å; Y769-R916 WeakPolarHBondContact O-CD 3.47Å; A771-R916 HydrophobicContact CB-CG 3.87Å; F796-R916 CarbonylContact C-O 3.36Å; S797-R916 PolarHBondContact N-O 3.4Å; Y798-R916 PolarHBondContact N-O 2.84Å; Y798-R916 PolarHBondContact O-N 3.41Å
917	L	98.3	Very high	95.9	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.01	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	157.5	177.9	-63.2	-178.2	0	0	0	111.3	F726 V767 G768 F772 V775 F777 F796 Y934	F726-L917 HydrophobicContact CE1-CB 4.26Å; F726-L917 HydrophobicContact CZ-CB 4.07Å; V767-L917 CarbonylContact C-O 3.36Å; V767-L917 WeakPolarHBondContact CA-O 3.26Å; V767-L917 WeakPolarHBondContact CG1-O 3.44Å; G768-L917 PolarHBondContact N-O 2.85Å; F772-L917 HydrophobicContact CD2-CD1 4.04Å; F772-L917 HydrophobicContact CD2-CG 3.84Å; F772-L917 HydrophobicContact CE2-CB 4.48Å; F772-L917 HydrophobicContact CE2-CD1 3.69Å; F772-L917 HydrophobicContact CE2-CG 3.76Å; F772-L917 HydrophobicContact CZ-CD1 4.24Å; V775-L917 HydrophobicContact CG1-CD2 4.18Å; V775-L917 HydrophobicContact CG2-CD1 3.96Å; F777-L917 HydrophobicContact CB-CD1 4.05Å; F777-L917 HydrophobicContact CB-CD2 4.45Å; F777-L917 HydrophobicContact CD1-CD1 4.3Å; F777-L917 HydrophobicContact CD1-CD2 4.2Å; F777-L917 HydrophobicContact CD2-CD1 3.95Å; F777-L917 HydrophobicContact CE2-CD1 4.48Å; F777-L917 HydrophobicContact CG-CD1 3.86Å; F777-L917 HydrophobicContact CG-CD2 4.41Å; F796-L917 HydrophobicContact CB-CD2 3.56Å; L917-Y934 HydrophobicContact CD1-CD1 3.89Å; L917-Y934 HydrophobicContact CD1-CG 3.96Å
918	G	97.6	Very high	96	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.8	-179.3	176.6	0	0	0	0	0	114.6	A766 F794 L795	A766-G918 CarbonylContact O-C 3.31Å; A766-G918 WeakPolarHBondContact O-CA 3.46Å; F794-G918 WeakPolarHBondContact CA-O 3.43Å; F794-G918 WeakPolarHBondContact CB-O 3.35Å; L795-G918 PolarHBondContact N-O 3.01Å; L795-G918 PolarHBondContact O-N 3.19Å
919	V	98.3	Very high	96.1	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	153.8	175.1	-63.5	0	0	0	0	111.2	W746 I755 L765 A766 W929	W746-V919 HydrophobicContact CE3-CG2 4.16Å; W746-V919 HydrophobicContact CH2-CG2 4.13Å; W746-V919 HydrophobicContact CZ3-CG2 3.62Å; I755-V919 HydrophobicContact CD1-CG1 4.21Å; I755-V919 HydrophobicContact CD1-CG2 3.91Å; I755-V919 HydrophobicContact CG2-CG2 4.16Å; L765-V919 WeakPolarHBondContact CA-O 3.25Å; A766-V919 HydrophobicContact CB-CG2 3.85Å; A766-V919 PolarHBondContact N-O 3.01Å; A766-V919 VanDerWaalsContact N-O 3.15Å; A766-V919 PolarHBondContact O-N 2.72Å; V919-W929 HydrophobicContact CB-CD2 3.86Å; V919-W929 HydrophobicContact CB-CE3 4.32Å; V919-W929 HydrophobicContact CB-CG 4.13Å; V919-W929 HydrophobicContact CB-CZ2 4.15Å; V919-W929 HydrophobicContact CG1-CB 3.96Å; V919-W929 HydrophobicContact CG1-CD2 3.81Å; V919-W929 HydrophobicContact CG1-CE3 4.47Å; V919-W929 HydrophobicContact CG1-CG 3.54Å; V919-W929 HydrophobicContact CG2-CD2 4.33Å; V919-W929 HydrophobicContact CG2-CE3 4.3Å; V919-W929 HydrophobicContact CG2-CZ3 4.48Å
920	F	97.4	Very high	96.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	130.3	-173.1	168.1	-107.6	0	0	0	110.9	L734 L765 A792 G793 V806 M808 F922 W929	L734-F920 HydrophobicContact CD1-CE2 4.27Å; L765-F920 HydrophobicContact CD2-CB 4.33Å; L765-F920 HydrophobicContact CD2-CD2 3.49Å; L765-F920 VanDerWaalsContact CD2-CD2 3.49Å; L765-F920 HydrophobicContact CD2-CE2 4.29Å; L765-F920 HydrophobicContact CD2-CG 4.38Å; A792-F920 CarbonylContact C-O 3.52Å; A792-F920 WeakPolarHBondContact CA-O 3.45Å; G793-F920 PolarHBondContact N-O 3.06Å; G793-F920 PolarHBondContact O-N 3.22Å; V806-F920 HydrophobicContact CG2-CB 4.28Å; V806-F920 HydrophobicContact CG2-CD1 3.94Å; V806-F920 HydrophobicContact CG2-CE1 4.44Å; V806-F920 HydrophobicContact CG2-CG 3.99Å; M808-F920 HydrophobicContact CB-CD1 4.05Å; M808-F920 HydrophobicContact CB-CE1 3.86Å; M808-F920 HydrophobicContact CE-CE1 3.86Å; M808-F920 HydrophobicContact CE-CZ 4.06Å; F920-F922 HydrophobicContact CE1-CB 4.2Å; F920-F922 HydrophobicContact CE2-CB 4.19Å; F920-F922 HydrophobicContact CZ-CB 3.61Å; F920-F922 HydrophobicContact CZ-CD2 4.21Å; F920-F922 HydrophobicContact CZ-CG 4.41Å; F920-W929 WeakPolarHBondContact O-CZ2 3.43Å
921	C	95.9	Very high	96.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	150.3	169.2	70.4	0	0	0	0	110.8	W746 Q757 P763 G764 I927 W929	W746-C921 HydrophobicContact CH2-CB 4.17Å; W746-C921 VanDerWaalsContact CH2-SG 3.52Å; Q757-C921 HydrophobicContact CG-CB 4.47Å; P763-C921 WeakPolarHBondContact CA-O 3.49Å; G764-C921 PolarHBondContact N-O 2.87Å; G764-C921 PolarHBondContact O-N 2.88Å; C921-I927 HydrophobicContact CB-CD1 3.68Å; C921-W929 HydrophobicContact CB-CH2 4.16Å
922	F	95.6	Very high	96.5	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.009	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	105.6	170.8	-176	6.5	0	0	0	109.5	P763 Y791 Y816 R846 W850 F920 Q924	P763-F922 HydrophobicContact CB-CB 4.06Å; P763-F922 HydrophobicContact CB-CD1 3.72Å; P763-F922 HydrophobicContact CB-CD2 3.92Å; P763-F922 HydrophobicContact CB-CE1 4.07Å; P763-F922 HydrophobicContact CB-CE2 4.21Å; P763-F922 HydrophobicContact CB-CG 3.66Å; P763-F922 HydrophobicContact CB-CZ 4.31Å; P763-F922 HydrophobicContact CG-CD1 4.07Å; P763-F922 HydrophobicContact CG-CE1 3.94Å; P763-F922 HydrophobicContact CG-CE2 4.42Å; P763-F922 HydrophobicContact CG-CG 4.43Å; P763-F922 HydrophobicContact CG-CZ 4.12Å; Y791-F922 PolarHBondContact N-O 3.49Å; Y791-F922 PolarHBondContact O-N 3.39Å; Y816-F922 HydrophobicContact CD2-CZ 4.47Å; Y816-F922 HydrophobicContact CE2-CE1 4.01Å; Y816-F922 AromaticContact CE2-CZ 3.82Å; Y816-F922 HydrophobicContact CE2-CZ 3.82Å; R846-F922 HydrophobicContact CG-CE1 4.37Å; R846-F922 HydrophobicContact CG-CE2 4.17Å; R846-F922 HydrophobicContact CG-CZ 3.53Å; W850-F922 HydrophobicContact CB-CE2 4Å; W850-F922 HydrophobicContact CD2-CE2 4.49Å; W850-F922 HydrophobicContact CE3-CD1 4.43Å; W850-F922 AromaticContact CE3-CD2 3.99Å; W850-F922 HydrophobicContact CE3-CD2 3.99Å; W850-F922 HydrophobicContact CE3-CE1 4.07Å; W850-F922 AromaticContact CE3-CE2 3.65Å; W850-F922 HydrophobicContact CE3-CE2 3.65Å; W850-F922 HydrophobicContact CE3-CG 4.38Å; W850-F922 AromaticContact CE3-CZ 3.67Å; W850-F922 HydrophobicContact CE3-CZ 3.67Å; W850-F922 HydrophobicContact CZ3-CD1 4.44Å; W850-F922 HydrophobicContact CZ3-CE1 4.26Å; W850-F922 HydrophobicContact CZ3-CZ 4.3Å; F920-F922 HydrophobicContact CE1-CB 4.2Å; F920-F922 HydrophobicContact CE2-CB 4.19Å; F920-F922 HydrophobicContact CZ-CB 3.61Å; F920-F922 HydrophobicContact CZ-CD2 4.21Å; F920-F922 HydrophobicContact CZ-CG 4.41Å; F922-Q924 VanDerWaalsContact C-N 3.31Å; F922-Q924 PolarHBondContact O-N 2.83Å
923	S	93.4	Very high	96.6	Very high	8 Å²	8	14.8 Å²	14.8	6%	0.056	7%	0.069	C	C	.	.	S	Bend	trans	65.1	25.1	176.5	-167.4	0	0	0	0	114.7	N760 S761 D790	N760-S923 WeakPolarHBondContact OD1-CA 3.31Å; N760-S923 PolarHBondContact OD1-O 2.75Å; N760-S923 VanDerWaalsContact OD1-O 3.11Å; N760-S923 PolarHBondContact OD1-OG 3.45Å; S761-S923 WeakPolarHBondContact O-CA 3.09Å; S761-S923 PolarHBondContact O-N 2.79Å; D790-S923 WeakPolarHBondContact CB-O 3.06Å; D790-S923 WeakPolarHBondContact OD2-CB 3.47Å; D790-S923 PolarHBondContact OD2-OG 2.82Å
924	Q	95.4	Very high	96.6	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.055	C	C	.	.			trans	-128.9	131.4	179.5	176.9	65.2	61.7	0	0	110.6	Q757 T787 D790 W871 F922 I927	Q757-Q924 PolarHBondContact OE1-O 3.31Å; T787-Q924 PolarHBondContact O-NE2 3.08Å; D790-Q924 HydrophobicContact CB-CB 3.98Å; W871-Q924 VanDerWaalsContact CZ2-OE1 3.32Å; F922-Q924 VanDerWaalsContact C-N 3.31Å; F922-Q924 PolarHBondContact O-N 2.83Å; Q924-I927 HydrophobicContact CB-CD1 3.97Å; Q924-I927 HydrophobicContact CB-CG1 4.37Å; Q924-I927 HydrophobicContact CG-CD1 3.85Å; Q924-I927 HydrophobicContact CG-CG1 3.7Å; Q924-I927 WeakPolarHBondContact O-CD1 3.22Å
925	E	94.3	Very high	96.7	Very high	52 Å²	52	15.8 Å²	15.8	24%	0.243	7%	0.073	C	C	.	.			trans	-100.8	162.9	179.2	68.5	-174.3	168.9	0	0	112.9	N760 T785 T787 I927	N760-E925 HydrophobicContact CB-CB 4.32Å; T785-E925 HydrophobicContact CG2-CG 4.28Å; T787-E925 WeakPolarHBondContact CB-OE1 3.34Å; T787-E925 PolarHBondContact OG1-OE1 3.22Å; E925-I927 PolarHBondContact O-N 3.43Å
926	N	94.9	Very high	96.6	Very high	56 Å²	56	17.3 Å²	17.3	30%	0.299	8%	0.082	S	C	.	.	S	Bend	trans	56	44.7	174.9	-64.9	-58.7	0	0	0	113.8	Q757 N784 T785	Q757-N926 CarbonylContact O-C 3.39Å; Q757-N926 WeakPolarHBondContact O-CA 3.46Å; Q757-N926 PolarHBondContact O-N 2.04Å; N784-N926 PolarHBondContact N-O 3.43Å; T785-N926 HydrophobicContact CG2-CB 4.04Å
927	I	97.6	Very high	96.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	136.2	175.3	-50	157.2	0	0	0	108.8	V756 Q757 F781 A792 C921 Q924 E925 W929	V756-I927 CarbonylContact C-O 3.59Å; V756-I927 VanDerWaalsContact CA-O 3.3Å; V756-I927 WeakPolarHBondContact CA-O 3.4Å; Q757-I927 PolarHBondContact N-O 3.2Å; Q757-I927 PolarHBondContact O-N 3.04Å; F781-I927 HydrophobicContact CD2-CG2 4.22Å; F781-I927 HydrophobicContact CE2-CG2 3.8Å; A792-I927 HydrophobicContact CB-CD1 3.58Å; A792-I927 HydrophobicContact CB-CG1 4.08Å; A792-I927 HydrophobicContact CB-CG2 4.08Å; C921-I927 HydrophobicContact CB-CD1 3.68Å; Q924-I927 HydrophobicContact CB-CD1 3.97Å; Q924-I927 HydrophobicContact CB-CG1 4.37Å; Q924-I927 HydrophobicContact CG-CD1 3.85Å; Q924-I927 HydrophobicContact CG-CG1 3.7Å; Q924-I927 WeakPolarHBondContact O-CD1 3.22Å; E925-I927 PolarHBondContact O-N 3.43Å; I927-W929 HydrophobicContact CB-CE3 4.33Å; I927-W929 HydrophobicContact CB-CH2 3.53Å; I927-W929 HydrophobicContact CB-CZ2 4.03Å; I927-W929 HydrophobicContact CB-CZ3 3.7Å; I927-W929 HydrophobicContact CD1-CH2 3.61Å; I927-W929 HydrophobicContact CD1-CZ2 4Å; I927-W929 HydrophobicContact CG1-CH2 4.21Å; I927-W929 HydrophobicContact CG2-CD2 3.89Å; I927-W929 HydrophobicContact CG2-CE3 3.93Å; I927-W929 HydrophobicContact CG2-CH2 3.44Å; I927-W929 VanDerWaalsContact CG2-CH2 3.44Å; I927-W929 HydrophobicContact CG2-CZ2 3.4Å; I927-W929 HydrophobicContact CG2-CZ3 3.7Å
928	I	97.9	Very high	96	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122	174.8	-52.6	175.2	0	0	0	107.7	T486 P487 E754 V756 H782 N784	T486-I928 HydrophobicContact CG2-CD1 4.03Å; P487-I928 HydrophobicContact CB-CG2 4.37Å; E754-I928 HydrophobicContact CG-CG2 4.35Å; V756-I928 HydrophobicContact CG1-CG1 4.33Å; V756-I928 HydrophobicContact CG2-CG1 4.22Å; V756-I928 HydrophobicContact CG2-CG2 4.25Å; H782-I928 HydrophobicContact CB-CB 4.37Å; H782-I928 PolarHBondContact N-O 2.71Å; H782-I928 PolarHBondContact O-N 2.94Å; N784-I928 HydrophobicContact CB-CD1 3.89Å
929	W	98.4	Very high	95.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	95.2	164.1	-60.6	-97.2	0	0	0	107.2	W746 E754 I755 Q757 T780 A792 G793 W879 V919 F920 C921 I927 L932	W746-W929 HydrophobicContact CE3-CZ3 4.33Å; W746-W929 HydrophobicContact CH2-CH2 4.38Å; W746-W929 AromaticContact CZ3-CH2 3.71Å; W746-W929 HydrophobicContact CZ3-CH2 3.71Å; W746-W929 AromaticContact CZ3-CZ3 3.7Å; W746-W929 HydrophobicContact CZ3-CZ3 3.7Å; E754-W929 CarbonylContact C-O 3.47Å; E754-W929 VanDerWaalsContact CA-O 3.28Å; E754-W929 WeakPolarHBondContact CA-O 3.5Å; I755-W929 HydrophobicContact CB-CE3 4.32Å; I755-W929 HydrophobicContact CG2-CE3 4.27Å; I755-W929 PolarHBondContact N-O 2.9Å; I755-W929 PolarHBondContact O-N 3.33Å; Q757-W929 HydrophobicContact CB-CH2 3.86Å; Q757-W929 HydrophobicContact CB-CZ3 3.53Å; T780-W929 CarbonylContact O-C 3.54Å; T780-W929 VanDerWaalsContact O-CA 3.3Å; T780-W929 WeakPolarHBondContact O-CA 3.31Å; A792-W929 HydrophobicContact CB-CZ2 4.44Å; G793-W929 PolarHBondContact O-NE1 3.24Å; W879-W929 HydrophobicContact CH2-CB 4.07Å; W879-W929 AromaticContact CH2-CD1 3.45Å; W879-W929 VanDerWaalsContact CH2-CD1 3.45Å; W879-W929 HydrophobicContact CH2-CG 4.14Å; W879-W929 AromaticContact CZ3-CD1 3.75Å; V919-W929 HydrophobicContact CB-CD2 3.86Å; V919-W929 HydrophobicContact CB-CE3 4.32Å; V919-W929 HydrophobicContact CB-CG 4.13Å; V919-W929 HydrophobicContact CB-CZ2 4.15Å; V919-W929 HydrophobicContact CG1-CB 3.96Å; V919-W929 HydrophobicContact CG1-CD2 3.81Å; V919-W929 HydrophobicContact CG1-CE3 4.47Å; V919-W929 HydrophobicContact CG1-CG 3.54Å; V919-W929 HydrophobicContact CG2-CD2 4.33Å; V919-W929 HydrophobicContact CG2-CE3 4.3Å; V919-W929 HydrophobicContact CG2-CZ3 4.48Å; F920-W929 WeakPolarHBondContact O-CZ2 3.43Å; C921-W929 HydrophobicContact CB-CH2 4.16Å; I927-W929 HydrophobicContact CB-CE3 4.33Å; I927-W929 HydrophobicContact CB-CH2 3.53Å; I927-W929 HydrophobicContact CB-CZ2 4.03Å; I927-W929 HydrophobicContact CB-CZ3 3.7Å; I927-W929 HydrophobicContact CD1-CH2 3.61Å; I927-W929 HydrophobicContact CD1-CZ2 4Å; I927-W929 HydrophobicContact CG1-CH2 4.21Å; I927-W929 HydrophobicContact CG2-CD2 3.89Å; I927-W929 HydrophobicContact CG2-CE3 3.93Å; I927-W929 HydrophobicContact CG2-CH2 3.44Å; I927-W929 VanDerWaalsContact CG2-CH2 3.44Å; I927-W929 HydrophobicContact CG2-CZ2 3.4Å; I927-W929 HydrophobicContact CG2-CZ3 3.7Å; W929-L932 HydrophobicContact CB-CD1 4.43Å; W929-L932 HydrophobicContact CB-CD2 4.08Å; W929-L932 HydrophobicContact CB-CG 4.45Å
930	S	97.7	Very high	95.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	156.4	-173.1	-176.5	0	0	0	0	111.7	P487 S489 E754 T780 L932	P487-S930 VanDerWaalsContact CB-CB 3.46Å; S489-S930 WeakPolarHBondContact CB-OG 3.46Å; S489-S930 PolarHBondContact OG-OG 3.47Å; E754-S930 WeakPolarHBondContact OE2-CB 3.46Å; E754-S930 PolarHBondContact OE2-OG 3.34Å; T780-S930 WeakPolarHBondContact CB-O 3.45Å; T780-S930 PolarHBondContact N-O 3.32Å; T780-S930 PolarHBondContact O-N 3.47Å; S930-L932 PolarHBondContact O-N 2.9Å; S930-L932 VanDerWaalsContact O-N 3.15Å
931	N	96.7	Very high	95.2	Very high	14 Å²	14	30.3 Å²	30.3	8%	0.075	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	48.3	46	174.8	-168.4	17	0	0	0	112.5	D462 S489 M753 R878 Q933	D462-N931 WeakPolarHBondContact O-CB 3.46Å; D462-N931 VanDerWaalsContact O-CG 3.29Å; D462-N931 PolarHBondContact O-ND2 3.37Å; S489-N931 PolarHBondContact OG-N 2.02Å; S489-N931 VanDerWaalsContact OG-N 3.12Å; M753-N931 PolarHBondContact O-N 3.34Å; R878-N931 PolarHBondContact NH1-ND2 3.19Å; R878-N931 VanDerWaalsContact NH1-ND2 3.12Å; R878-N931 PolarHBondContact NH1-O 3.14Å; N931-Q933 PolarHBondContact OD1-NE2 3.1Å
932	L	97.8	Very high	94.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	131.8	175.2	-66.7	175.7	0	0	0	109.1	T724 F726 M753 I755 F777 W879 W929 S930	T724-L932 HydrophobicContact CG2-CB 4.33Å; T724-L932 WeakPolarHBondContact CG2-O 3.3Å; F726-L932 HydrophobicContact CD2-CD1 3.91Å; F726-L932 HydrophobicContact CE2-CB 4.38Å; F726-L932 HydrophobicContact CE2-CD1 4.13Å; M753-L932 WeakPolarHBondContact O-CB 3.12Å; M753-L932 PolarHBondContact O-N 3.33Å; I755-L932 HydrophobicContact CD1-CD1 3.88Å; I755-L932 HydrophobicContact CG1-CD1 3.92Å; F777-L932 HydrophobicContact CE2-CD2 4.09Å; F777-L932 HydrophobicContact CZ-CD2 4Å; W879-L932 HydrophobicContact CH2-CD2 3.65Å; W879-L932 HydrophobicContact CZ2-CD2 3.54Å; W929-L932 HydrophobicContact CB-CD1 4.43Å; W929-L932 HydrophobicContact CB-CD2 4.08Å; W929-L932 HydrophobicContact CB-CG 4.45Å; S930-L932 PolarHBondContact O-N 2.9Å; S930-L932 VanDerWaalsContact O-N 3.15Å
933	Q	95.9	Very high	94.7	Very high	61 Å²	61	41.8 Å²	41.8	29%	0.285	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	124.3	177	-61.5	177.3	25.8	0	0	108.5	F777 E778 N931	F777-Q933 WeakPolarHBondContact CD2-O 3.33Å; E778-Q933 HydrophobicContact CG-CB 4.03Å; E778-Q933 PolarHBondContact N-O 2.88Å; E778-Q933 PolarHBondContact O-N 2.89Å; E778-Q933 VanDerWaalsContact O-O 3.1Å; N931-Q933 PolarHBondContact OD1-NE2 3.1Å
934	Y	96.9	Very high	94.6	Very high	11 Å²	11	42 Å²	42	4%	0.043	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	161.6	162.2	52.3	-108	0	0	0	110.1	V714 V721 L723 T724 D725 F726 F772 D776 L917	V714-Y934 HydrophobicContact CG1-CD2 3.37Å; V714-Y934 HydrophobicContact CG1-CE2 3.54Å; V714-Y934 WeakPolarHBondContact CG1-O 2.99Å; V721-Y934 HydrophobicContact CG1-CE2 3.87Å; L723-Y934 PolarHBondContact O-OH 3.38Å; T724-Y934 VanDerWaalsContact CA-CZ 3.5Å; T724-Y934 WeakPolarHBondContact CA-OH 3.38Å; T724-Y934 HydrophobicContact CG2-CD1 3.73Å; T724-Y934 HydrophobicContact CG2-CE1 3.61Å; T724-Y934 HydrophobicContact CG2-CG 4.44Å; T724-Y934 PolarHBondContact OG1-N 2.71Å; D725-Y934 PolarHBondContact N-OH 3.3Å; F726-Y934 HydrophobicContact CD2-CE1 4.35Å; F726-Y934 AromaticContact CE2-CD1 3.75Å; F726-Y934 HydrophobicContact CE2-CD1 3.75Å; F726-Y934 AromaticContact CE2-CE1 3.66Å; F726-Y934 HydrophobicContact CE2-CE1 3.66Å; F726-Y934 AromaticContact CZ-CD1 3.94Å; F726-Y934 HydrophobicContact CZ-CD1 3.94Å; F726-Y934 AromaticContact CZ-CE1 3.96Å; F726-Y934 HydrophobicContact CZ-CE1 3.96Å; F772-Y934 AromaticContact CE1-CD2 3.66Å; F772-Y934 HydrophobicContact CE1-CD2 3.66Å; F772-Y934 AromaticContact CE1-CE2 3.93Å; F772-Y934 HydrophobicContact CE1-CE2 3.93Å; F772-Y934 HydrophobicContact CE1-CG 4.31Å; F772-Y934 HydrophobicContact CZ-CD1 4.23Å; F772-Y934 AromaticContact CZ-CD2 3.48Å; F772-Y934 HydrophobicContact CZ-CD2 3.48Å; F772-Y934 VanDerWaalsContact CZ-CD2 3.48Å; F772-Y934 HydrophobicContact CZ-CE1 4.25Å; F772-Y934 AromaticContact CZ-CE2 3.56Å; F772-Y934 HydrophobicContact CZ-CE2 3.56Å; F772-Y934 AromaticContact CZ-CG 3.85Å; F772-Y934 HydrophobicContact CZ-CG 3.85Å; F772-Y934 AromaticContact CZ-CZ 3.95Å; D776-Y934 CarbonylContact O-C 3.32Å; D776-Y934 WeakPolarHBondContact O-CA 3.31Å; L917-Y934 HydrophobicContact CD1-CD1 3.89Å; L917-Y934 HydrophobicContact CD1-CG 3.96Å
935	R	95.3	Very high	94.3	Very high	101 Å²	101	45.8 Å²	45.8	38%	0.381	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	131.3	172.6	-163.9	-175.3	179.5	163.1	4	110.3	V714 V775 D776 N937	V714-R935 WeakPolarHBondContact O-CA 3.02Å; V714-R935 WeakPolarHBondContact O-CG 3.43Å; V775-R935 WeakPolarHBondContact CA-O 3.04Å; D776-R935 PolarHBondContact N-O 2.84Å; D776-R935 PolarHBondContact O-N 3.23Å; R935-N937 PolarHBondContact O-N 3.1Å
936	C	95	Very high	94.1	Very high	38 Å²	38	46 Å²	46	26%	0.257	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	125.5	170.6	-67.1	0	0	0	0	109.3	V714 C715	V714-C936 PolarHBondContact O-N 3.05Å; V714-C936 VanDerWaalsContact O-N 3.08Å; C715-C936 HydrophobicContact CB-CB 3.63Å; C715-C936 WeakPolarHBondContact CB-SG 3.22Å; C715-C936 WeakPolarHBondContact SG-CB 3.36Å; C715-C936 PolarHBondContact SG-N 3.44Å; C715-C936 VanDerWaalsContact SG-N 3.43Å; C715-C936 CovalentContact SG-SG 2.03Å; C715-C936 PolarHBondContact SG-SG 3.13Å
937	N	93.3	Very high	93.8	Very high	42 Å²	42	45.3 Å²	45.3	23%	0.225	23%	0.234	C	C	.	.			trans	-156.3	105.6	-179.2	-168.8	-6.2	0	0	0	111.1	G774 D776 R884 R935 T939	G774-N937 CarbonylContact C-O 3.54Å; G774-N937 PolarHBondContact O-N 2.98Å; D776-N937 PolarHBondContact OD2-ND2 3.35Å; R884-N937 WeakPolarHBondContact CD-O 3.35Å; R884-N937 PolarHBondContact NE-O 3.02Å; R884-N937 PolarHBondContact NH1-O 2.78Å; R884-N937 PolarHBondContact NH2-ND2 3.33Å; R935-N937 PolarHBondContact O-N 3.1Å; N937-T939 WeakPolarHBondContact OD1-CB 3.25Å; N937-T939 PolarHBondContact OD1-N 3.28Å
938	D	90.3	Very high	93.3	Very high	69 Å²	69	50.9 Å²	50.9	37%	0.369	25%	0.254	S	S	.	.			trans	-95.3	-2.1	176.9	-59	-60.7	0	0	0	113.4	G774 Q886 V940	G774-D938 VanDerWaalsContact CA-OD1 3.25Å; G774-D938 WeakPolarHBondContact CA-OD1 3.49Å; G774-D938 PolarHBondContact N-OD1 3.39Å; Q886-D938 PolarHBondContact NE2-O 3.39Å; D938-V940 PolarHBondContact O-N 2.93Å; D938-V940 VanDerWaalsContact O-N 3.14Å
939	T	90.9	Very high	92.8	Very high	106 Å²	106	57.4 Å²	57.4	65%	0.65	28%	0.279	S	S	*	.			trans	-70.7	115.7	178.6	-59.8	0	0	0	0	109.7	R884 N937 P941	R884-T939 PolarHBondContact NE-O 3.47Å; N937-T939 WeakPolarHBondContact OD1-CB 3.25Å; N937-T939 PolarHBondContact OD1-N 3.28Å; T939-P941 WeakPolarHBondContact O-CD 3.24Å
940	V	92.3	Very high	92.2	Very high	52 Å²	52	61.7 Å²	61.7	32%	0.315	30%	0.299	S	S	.	.			trans	-68.1	126.4	179.4	-179.2	0	0	0	0	110.6	Q886 V887 D938 F944	Q886-V940 HydrophobicContact CG-CG2 4.45Å; V887-V940 HydrophobicContact CG1-CG2 4.4Å; V887-V940 HydrophobicContact CG2-CG1 4.03Å; V887-V940 HydrophobicContact CG2-CG2 3.97Å; D938-V940 PolarHBondContact O-N 2.93Å; D938-V940 VanDerWaalsContact O-N 3.14Å; V940-F944 HydrophobicContact CG1-CB 3.72Å; V940-F944 HydrophobicContact CG1-CD1 3.6Å; V940-F944 HydrophobicContact CG1-CE1 4.4Å; V940-F944 HydrophobicContact CG1-CG 3.76Å
941	P	92.9	Very high	91.6	Very high	24 Å²	24	65.8 Å²	65.8	16%	0.156	32%	0.321	C	S	.	.			trans	-58.2	144.9	179.9	-30.5	38.8	0	0	0	114.8	L882 Y889 T939 D943 F944	L882-P941 HydrophobicContact CD2-CG 4.22Å; Y889-P941 HydrophobicContact CD1-CG 4.23Å; Y889-P941 HydrophobicContact CE1-CB 4.39Å; Y889-P941 HydrophobicContact CE1-CG 3.7Å; Y889-P941 HydrophobicContact CE2-CB 4.16Å; Y889-P941 HydrophobicContact CE2-CG 4.25Å; T939-P941 WeakPolarHBondContact O-CD 3.24Å; P941-D943 WeakPolarHBondContact CB-OD1 3.1Å; P941-D943 PolarHBondContact O-N 3.01Å; P941-D943 VanDerWaalsContact O-N 3.13Å; P941-F944 VanDerWaalsContact O-CB 3.25Å; P941-F944 WeakPolarHBondContact O-CB 3.2Å; P941-F944 PolarHBondContact O-N 3.3Å; P941-F944 VanDerWaalsContact O-N 3.09Å
942	E	90.4	Very high	90.9	Very high	189 Å²	189	71.6 Å²	71.6	88%	0.883	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.9	-174.1	-64.7	-171.1	165.5	0	0	114.6	F944 P946	E942-F944 VanDerWaalsContact C-N 3.29Å; E942-F944 PolarHBondContact O-N 2.78Å; E942-P946 WeakPolarHBondContact O-CD 3.15Å
943	D	91.3	Very high	90.1	Very high	54 Å²	54	77 Å²	77	29%	0.289	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-8.9	-179.7	57.8	-6.4	0	0	0	113.9	Y889 R891 P941 P946 F947	Y889-D943 PolarHBondContact OH-OD1 2.82Å; R891-D943 IonicContact CZ-OD2 3.54Å; R891-D943 IonicContact NH1-OD2 3.68Å; R891-D943 PolarHBondContact NH1-OD2 2.72Å; P941-D943 WeakPolarHBondContact CB-OD1 3.1Å; P941-D943 PolarHBondContact O-N 3.01Å; P941-D943 VanDerWaalsContact O-N 3.13Å; D943-P946 WeakPolarHBondContact O-CD 3.45Å; D943-F947 WeakPolarHBondContact O-CB 3.14Å; D943-F947 PolarHBondContact O-N 2.03Å
944	F	91.1	Very high	88.7	Confident	11 Å²	11	77.2 Å²	77.2	5%	0.048	40%	0.395	C	S	.	.	H	α-helix	trans	-62.4	-55.5	175.2	175.4	-111.4	0	0	0	112.9	V887 Y889 I908 V940 P941 E942 F947 R948	V887-F944 HydrophobicContact CB-CE1 4.03Å; V887-F944 HydrophobicContact CB-CE2 4.13Å; V887-F944 HydrophobicContact CB-CZ 3.62Å; V887-F944 HydrophobicContact CG1-CE1 4.08Å; V887-F944 HydrophobicContact CG1-CZ 4.11Å; V887-F944 HydrophobicContact CG2-CE1 4.25Å; V887-F944 HydrophobicContact CG2-CE2 4.15Å; V887-F944 HydrophobicContact CG2-CZ 4Å; Y889-F944 HydrophobicContact CD2-CB 4.05Å; Y889-F944 AromaticContact CD2-CD2 3.91Å; Y889-F944 HydrophobicContact CD2-CD2 3.91Å; Y889-F944 HydrophobicContact CD2-CG 4.37Å; Y889-F944 HydrophobicContact CE2-CB 4.35Å; I908-F944 HydrophobicContact CD1-CD2 4.5Å; I908-F944 HydrophobicContact CD1-CE2 3.88Å; I908-F944 HydrophobicContact CG1-CE2 4.28Å; V940-F944 HydrophobicContact CG1-CB 3.72Å; V940-F944 HydrophobicContact CG1-CD1 3.6Å; V940-F944 HydrophobicContact CG1-CE1 4.4Å; V940-F944 HydrophobicContact CG1-CG 3.76Å; P941-F944 VanDerWaalsContact O-CB 3.25Å; P941-F944 WeakPolarHBondContact O-CB 3.2Å; P941-F944 PolarHBondContact O-N 3.3Å; P941-F944 VanDerWaalsContact O-N 3.09Å; E942-F944 VanDerWaalsContact C-N 3.29Å; E942-F944 PolarHBondContact O-N 2.78Å; F944-F947 PolarHBondContact O-N 2.51Å; F944-F947 VanDerWaalsContact O-N 3.08Å; F944-R948 HydrophobicContact CZ-CB 4.47Å; F944-R948 WeakPolarHBondContact O-CB 3.49Å; F944-R948 PolarHBondContact O-N 2.02Å
945	E	90.3	Very high	86.8	Confident	81 Å²	81	85.7 Å²	85.7	38%	0.379	43%	0.427	S	S	.	.	H	α-helix	trans	-62.9	-39.4	-175.2	-83.3	-60.8	141.9	0	0	114	R948 R949	E945-R948 IonicContact OE1-NH1 3.68Å; E945-R948 PolarHBondContact OE1-NH1 2.95Å; E945-R949 WeakPolarHBondContact O-CB 3.36Å; E945-R949 WeakPolarHBondContact O-CG 3.35Å; E945-R949 PolarHBondContact O-N 2.94Å; E945-R949 VanDerWaalsContact O-N 3.17Å; E945-R949 PolarHBondContact O-NE 2.73Å; E945-R949 VanDerWaalsContact O-NE 3.09Å
946	P	89	Confident	84.8	Confident	55 Å²	55	86.7 Å²	86.7	36%	0.357	44%	0.444	S	S	.	.	H	α-helix	trans	-59.2	-46.4	167.8	-25.1	34.4	0	0	0	113.2	E942 D943 R949 Q950	E942-P946 WeakPolarHBondContact O-CD 3.15Å; D943-P946 WeakPolarHBondContact O-CD 3.45Å; P946-R949 PolarHBondContact O-N 3.24Å; P946-Q950 WeakPolarHBondContact O-CG 3.34Å; P946-Q950 PolarHBondContact O-N 3.21Å; P946-Q950 VanDerWaalsContact O-N 3.16Å
947	F	89.4	Confident	84.3	Confident	43 Å²	43	89.1 Å²	89.1	19%	0.189	45%	0.453	C	S	.	.	H	α-helix	trans	-65.9	-48.3	-178.5	-178.9	-98.1	0	0	0	111.9	V906 I908 D943 F944 R949 Q950 L951 V956	V906-F947 HydrophobicContact CB-CB 4.28Å; V906-F947 HydrophobicContact CB-CD1 3.77Å; V906-F947 HydrophobicContact CB-CD2 4.1Å; V906-F947 HydrophobicContact CB-CE1 4.05Å; V906-F947 HydrophobicContact CB-CE2 4.36Å; V906-F947 HydrophobicContact CB-CG 3.78Å; V906-F947 HydrophobicContact CB-CZ 4.34Å; V906-F947 HydrophobicContact CG1-CB 4.37Å; V906-F947 HydrophobicContact CG1-CD1 3.5Å; V906-F947 HydrophobicContact CG1-CE1 3.89Å; V906-F947 HydrophobicContact CG1-CG 3.96Å; V906-F947 HydrophobicContact CG2-CB 4.3Å; V906-F947 HydrophobicContact CG2-CG 4.29Å; V906-F947 VanDerWaalsContact O-CZ 3.24Å; V906-F947 WeakPolarHBondContact O-CZ 3.36Å; I908-F947 HydrophobicContact CD1-CD1 3.92Å; I908-F947 HydrophobicContact CD1-CE1 3.92Å; I908-F947 HydrophobicContact CG1-CD1 4.41Å; I908-F947 HydrophobicContact CG1-CE1 4.15Å; D943-F947 WeakPolarHBondContact O-CB 3.14Å; D943-F947 PolarHBondContact O-N 2.03Å; F944-F947 PolarHBondContact O-N 2.51Å; F944-F947 VanDerWaalsContact O-N 3.08Å; F947-R949 VanDerWaalsContact C-N 3.26Å; F947-R949 PolarHBondContact O-N 2.94Å; F947-Q950 WeakPolarHBondContact O-CA 2.98Å; F947-Q950 WeakPolarHBondContact O-CB 3.32Å; F947-Q950 PolarHBondContact O-N 2.05Å; F947-L951 HydrophobicContact CE1-CD1 3.99Å; F947-L951 HydrophobicContact CZ-CD1 4.21Å; F947-L951 PolarHBondContact O-N 3.31Å; F947-V956 HydrophobicContact CE2-CG1 3.99Å; F947-V956 HydrophobicContact CE2-CG2 4.5Å; F947-V956 HydrophobicContact CZ-CG1 4.2Å
948	R	87.1	Confident	83.8	Confident	116 Å²	116	91.6 Å²	91.6	44%	0.438	47%	0.465	S	S	.	.	H	α-helix	trans	-52.8	-43.7	174.1	-176.5	-175.7	179	-170.8	7	111.7	F944 E945 Q950 L951 L952	F944-R948 HydrophobicContact CZ-CB 4.47Å; F944-R948 WeakPolarHBondContact O-CB 3.49Å; F944-R948 PolarHBondContact O-N 2.02Å; E945-R948 IonicContact OE1-NH1 3.68Å; E945-R948 PolarHBondContact OE1-NH1 2.95Å; R948-Q950 VanDerWaalsContact C-N 3.34Å; R948-Q950 PolarHBondContact O-N 3.05Å; R948-L951 PolarHBondContact O-N 2.86Å; R948-L952 HydrophobicContact CG-CD1 4.29Å; R948-L952 WeakPolarHBondContact O-CG 3.45Å; R948-L952 PolarHBondContact O-N 3.36Å
949	R	87.5	Confident	83.5	Confident	138 Å²	138	92.8 Å²	92.8	52%	0.521	47%	0.471	S	S	.	.	H	α-helix	trans	-63.6	-35.8	175.3	-81	-177.6	-82.5	176.6	-9.9	113.1	E945 P946 F947 Q953	E945-R949 WeakPolarHBondContact O-CB 3.36Å; E945-R949 WeakPolarHBondContact O-CG 3.35Å; E945-R949 PolarHBondContact O-N 2.94Å; E945-R949 VanDerWaalsContact O-N 3.17Å; E945-R949 PolarHBondContact O-NE 2.73Å; E945-R949 VanDerWaalsContact O-NE 3.09Å; P946-R949 PolarHBondContact O-N 3.24Å; F947-R949 VanDerWaalsContact C-N 3.26Å; F947-R949 PolarHBondContact O-N 2.94Å; R949-Q953 WeakPolarHBondContact O-CB 3.3Å; R949-Q953 WeakPolarHBondContact O-CG 3.48Å; R949-Q953 PolarHBondContact O-N 3.37Å
950	Q	86.1	Confident	83	Confident	91 Å²	91	92.1 Å²	92.1	43%	0.425	46%	0.46	S	S	.	.	H	α-helix	trans	-70.6	-39.6	176.2	-66.3	177	14.8	0	0	111.9	P946 F947 R948 Q953 G954 R955 V956	P946-Q950 WeakPolarHBondContact O-CG 3.34Å; P946-Q950 PolarHBondContact O-N 3.21Å; P946-Q950 VanDerWaalsContact O-N 3.16Å; F947-Q950 WeakPolarHBondContact O-CA 2.98Å; F947-Q950 WeakPolarHBondContact O-CB 3.32Å; F947-Q950 PolarHBondContact O-N 2.05Å; R948-Q950 VanDerWaalsContact C-N 3.34Å; R948-Q950 PolarHBondContact O-N 3.05Å; Q950-Q953 CarbonylContact O-C 3.53Å; Q950-Q953 PolarHBondContact O-N 3.22Å; Q950-Q953 VanDerWaalsContact O-N 3.16Å; Q950-G954 PolarHBondContact O-N 3.31Å; Q950-R955 PolarHBondContact O-N 3.36Å; Q950-R955 VanDerWaalsContact O-N 3.1Å; Q950-V956 HydrophobicContact CB-CG2 3.84Å
951	L	84.4	Confident	82.5	Confident	86 Å²	86	94.6 Å²	94.6	45%	0.45	47%	0.469	S	S	.	.	H	α-helix	trans	-62.6	-47.9	176.3	-159.3	116.2	0	0	0	111.2	F947 R948 Q953 G954	F947-L951 HydrophobicContact CE1-CD1 3.99Å; F947-L951 HydrophobicContact CZ-CD1 4.21Å; F947-L951 PolarHBondContact O-N 3.31Å; R948-L951 PolarHBondContact O-N 2.86Å; L951-Q953 PolarHBondContact O-N 2.75Å; L951-G954 PolarHBondContact O-N 3.15Å
952	L	81.9	Confident	81.8	Confident	135 Å²	135	99.3 Å²	99.3	71%	0.707	49%	0.49	S	S	*	.	H	α-helix	trans	-62.3	-23.4	174.5	-69.5	173.9	0	0	0	113.3	R948	R948-L952 HydrophobicContact CG-CD1 4.29Å; R948-L952 WeakPolarHBondContact O-CG 3.45Å; R948-L952 PolarHBondContact O-N 3.36Å
953	Q	80.9	Confident	81.1	Confident	113 Å²	113	92.9 Å²	92.9	53%	0.528	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	1.5	175.5	-71.9	173.1	25.8	0	0	113.4	R949 Q950 L951 R955	R949-Q953 WeakPolarHBondContact O-CB 3.3Å; R949-Q953 WeakPolarHBondContact O-CG 3.48Å; R949-Q953 PolarHBondContact O-N 3.37Å; Q950-Q953 CarbonylContact O-C 3.53Å; Q950-Q953 PolarHBondContact O-N 3.22Å; Q950-Q953 VanDerWaalsContact O-N 3.16Å; L951-Q953 PolarHBondContact O-N 2.75Å; Q953-R955 VanDerWaalsContact C-N 3.31Å; Q953-R955 HydrophobicContact CB-CG 4.22Å; Q953-R955 PolarHBondContact O-N 2.86Å
954	G	66.3	Low	80.4	Confident	67 Å²	67	95.8 Å²	95.8	69%	0.691	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	31.7	179.9	0	0	0	0	0	113.8	Q950 L951	Q950-G954 PolarHBondContact O-N 3.31Å; L951-G954 PolarHBondContact O-N 3.15Å
955	R	57.2	Low	79.5	Confident	188 Å²	188	102.9 Å²	102.9	71%	0.709	51%	0.511	S	S	*	.			trans	-100.5	-6.5	-177	-70.5	-175.4	178.4	179.7	3	114.4	Q950 Q953	Q950-R955 PolarHBondContact O-N 3.36Å; Q950-R955 VanDerWaalsContact O-N 3.1Å; Q953-R955 VanDerWaalsContact C-N 3.31Å; Q953-R955 HydrophobicContact CB-CG 4.22Å; Q953-R955 PolarHBondContact O-N 2.86Å
956	V	53.4	Low	78.5	Confident	122 Å²	122	104.9 Å²	104.9	74%	0.739	52%	0.523	S	S	*	.			trans	-127.4	0	-178.9	-176	0	0	0	0	108.5	F947 Q950	F947-V956 HydrophobicContact CE2-CG1 3.99Å; F947-V956 HydrophobicContact CE2-CG2 4.5Å; F947-V956 HydrophobicContact CZ-CG1 4.2Å; Q950-V956 HydrophobicContact CB-CG2 3.84Å

Retrieved 956 of 956 residues in 419.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).