X2JKM9_DROME Loading...

Katanin p80 WD40 repeat-containing subunit B1

Participates in a complex which severs microtubules in an ATP-dependent manner. May act to target the enzymatic subunit of this complex to sites of action such as the centrosome. Microtubule severing may promote rapid reorganization of cellular microtubule arrays and the release of microtubules from the centrosome following nucleation.

AlphaFold DB , UniProt , Accession X2JKM9, Species DROME (Drosophila melanogaster, Fruit fly), Gene kat80, Length 818 aa.

						>X2JKM9_DROME|X2JKM9|kat80
MALPRKLISKIYDIKAHDSRVTSLDLGETGRVLVTGGEDRNVNLWAIGQNECFMSLTGHNRSIDCVRFAYKDNFVYSADDIGIIRRWDLNSQKIYSTLNGHMKSVRTLDFNPSGEYVVSGSNDTTVRLWDVQNENNCIKVCRGHMSHVNSVKFSPDGLWIASAGLEGSILIWDIRKSKQIMEFIADPPVTAITCVQFHPFEFLLAAGRVDGTVSIYDLEHQQLVSQTTHFYGQAIRCITFSDNGECLFVGSSSGISVIGWEPDRELDHIKSTWSSLADMKVVNNKLICGCHEIDTVSINTISLDRVIPFYQPPNSLPNFKHNSTNRKSFTRGNQKFRLSVGGAKPAQVQEEHEGDKSGLSSPNYSLEVVNEAVLESAETSPMSSLPPVHLASMAGSSADLAPHHVVYGGAIDSALRQGKYSRVPDNMASYGSSYGAIDTRLMSLNEPSSLHKPDIYNLYPLDKNEEADVQQLEFNLNDSNPPILNNYDNYEMAEDFPVNQNLNYITNNYKPVPATSTINASSKSIKKTTTTTLHKRTTNNMAGAKQTSTGIFGGSKLSQVSSVSSMELHKLDDNMVLKKSSSSNVVNKNKRPMGSAQSQFSKENNQQKNINVEIITKPPMRSRTTLDMRTSHQAKTQEKQIHQQPMNNRIIMDDHDFDMLSRSHEAVLQELSNRQSSLDLLRHATRSHDVLGALRQARSCGKSIFIDLLGAILEKPSSWNLDFCMFVLPEIYELLQSQHKFHFTRACDTLRIILSNFLPTIQENLDSWAANGLGVDVTREDRQRKCAECQRWLLQIKNLPESTHFGSTLSQLQNIIIF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.8	Very low	57.5	Low	247 Å²	247	113.9 Å²	113.9	100%	1.217	60%	0.599	S	S	*	*				0	131.5	0	-70.5	169.1	170.9	0	0	108.1
2	A	35.5	Very low	59.4	Low	97 Å²	97	105 Å²	105	80%	0.802	55%	0.551	S	S	*	*			trans	-78.2	142.8	165.7	0	0	0	0	0	109
3	L	33.5	Very low	61.5	Low	154 Å²	154	103 Å²	103	81%	0.806	54%	0.541	S	S	*	.			trans	-63	143.5	169.9	-75.3	162.1	0	0	0	109.5	R5	L3-R5 PolarHBondContact O-N 3.19Å
4	P	45.4	Very low	63.4	Low	120 Å²	120	96.5 Å²	96.5	78%	0.779	51%	0.507	S	S	*	.			trans	-62.2	107.2	175.4	25.9	-33.3	0	0	0	109.1	K6	P4-K6 PolarHBondContact O-N 3.18Å
5	R	57.9	Low	65.1	Low	127 Å²	127	96.9 Å²	96.9	48%	0.479	50%	0.503	S	S	.	.			trans	-66.3	108.5	179.7	-59.9	-174.4	-170.9	158.4	6.8	108.4	L3 L7 D267 I307	L3-R5 PolarHBondContact O-N 3.19Å; R5-L7 HydrophobicContact CB-CD1 4.15Å; R5-L7 HydrophobicContact CB-CD2 3.96Å; R5-L7 HydrophobicContact CB-CG 3.67Å; R5-L7 PolarHBondContact O-N 2.64Å; R5-D267 IonicContact CZ-OD2 2.87Å; R5-D267 IonicContact NH1-OD1 3.68Å; R5-D267 PolarHBondContact NH1-OD1 3.19Å; R5-D267 IonicContact NH1-OD2 3.9Å; R5-D267 PolarHBondContact NH1-OD2 3.17Å; R5-I307 VanDerWaalsContact NH2-CD1 3.29Å
6	K	57	Low	66.4	Low	186 Å²	186	91 Å²	91	81%	0.809	47%	0.473	S	S	*	.			trans	-74.6	71.5	171.9	-163.6	173.6	-176.9	178.3	0	109.7	P4	P4-K6 PolarHBondContact O-N 3.18Å
7	L	64.4	Low	67.8	Low	19 Å²	19	86 Å²	86	10%	0.099	45%	0.447	C	S	.	.			trans	-79	-39.5	179.4	-61.8	179.6	0	0	0	111.7	R5 I269 I301 R305	R5-L7 HydrophobicContact CB-CD1 4.15Å; R5-L7 HydrophobicContact CB-CD2 3.96Å; R5-L7 HydrophobicContact CB-CG 3.67Å; R5-L7 PolarHBondContact O-N 2.64Å; L7-I269 HydrophobicContact CB-CG2 4.46Å; L7-I269 HydrophobicContact CD1-CD1 4.11Å; L7-I269 HydrophobicContact CD1-CG1 3.97Å; L7-I269 HydrophobicContact CD1-CG2 4.19Å; L7-I301 HydrophobicContact CB-CG2 4.48Å; L7-R305 HydrophobicContact CD2-CB 3.42Å; L7-R305 VanDerWaalsContact CD2-CB 3.42Å; L7-R305 VanDerWaalsContact CD2-O 3.3Å; L7-R305 WeakPolarHBondContact CD2-O 3.31Å
8	I	73.3	Confident	68.9	Low	39 Å²	39	89.1 Å²	89.1	20%	0.2	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	120.9	-177.8	-52.7	176.6	0	0	0	109.1	I269 S271 W273 N299 I301	I8-I269 HydrophobicContact CD1-CG2 4.14Å; I8-I269 HydrophobicContact CG1-CG2 4.02Å; I8-S271 WeakPolarHBondContact CD1-OG 3.34Å; I8-W273 HydrophobicContact CD1-CZ2 4.03Å; I8-W273 HydrophobicContact CG2-CZ2 4.11Å; I8-N299 HydrophobicContact CG2-CB 3.94Å; I8-I301 HydrophobicContact CG1-CD1 4.21Å; I8-I301 HydrophobicContact CG1-CG1 4.11Å
9	S	73.1	Confident	69.9	Low	67 Å²	67	86.8 Å²	86.8	47%	0.469	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	110.4	167.5	-168.2	0	0	0	0	109.2	I11 T300	S9-I11 PolarHBondContact O-N 3.01Å; S9-T300 PolarHBondContact N-O 2.91Å; S9-T300 PolarHBondContact O-N 3.09Å; S9-T300 PolarHBondContact O-OG1 3.11Å
10	K	80	Confident	70.9	Confident	105 Å²	105	88.8 Å²	88.8	46%	0.457	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	118.2	165.6	-158.2	175.5	-160.5	-173.1	0	107.2	D13 N299	K10-D13 HydrophobicContact CD-CB 4.37Å; K10-D13 WeakPolarHBondContact CE-OD1 3.41Å; K10-D13 WeakPolarHBondContact CE-OD2 3.44Å; K10-D13 IonicContact NZ-OD1 3.53Å; K10-D13 PolarHBondContact NZ-OD1 2.89Å; K10-D13 IonicContact NZ-OD2 3.45Å; K10-D13 PolarHBondContact NZ-OD2 3.43Å; K10-N299 WeakPolarHBondContact CA-OD1 3.31Å
11	I	80.3	Confident	71.9	Confident	92 Å²	92	84.6 Å²	84.6	47%	0.472	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-35.2	178.1	-71.6	-165.1	0	0	0	110.5	S9 I47 I298 T300	S9-I11 PolarHBondContact O-N 3.01Å; I11-I47 HydrophobicContact CG2-CG2 4.23Å; I11-I298 PolarHBondContact N-O 2.82Å; I11-T300 HydrophobicContact CD1-CG2 3.56Å; I11-T300 VanDerWaalsContact CD1-OG1 3.23Å; I11-T300 WeakPolarHBondContact CD1-OG1 3.33Å; I11-T300 HydrophobicContact CG1-CG2 4.04Å; I11-T300 WeakPolarHBondContact CG1-OG1 3.44Å
12	Y	80.9	Confident	74.6	Confident	7 Å²	7	74.5 Å²	74.5	3%	0.027	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	142.6	-168.8	-166.7	-121.4	0	0	0	110	I14 L33 W45 I47 Q49 S297 I298	Y12-I14 HydrophobicContact CD1-CG1 4.4Å; Y12-I14 HydrophobicContact CE1-CD1 3.66Å; Y12-I14 HydrophobicContact CE1-CG1 3.91Å; Y12-I14 HydrophobicContact CE1-CG2 3.92Å; Y12-I14 HydrophobicContact CE2-CG2 3.99Å; Y12-L33 HydrophobicContact CE1-CD2 4.27Å; Y12-W45 HydrophobicContact CE1-CB 4.14Å; Y12-I47 HydrophobicContact CG-CG2 4.47Å; Y12-Q49 VanDerWaalsContact CE2-O 3.24Å; Y12-Q49 WeakPolarHBondContact CE2-O 3.33Å; Y12-Q49 PolarHBondContact OH-O 2.92Å; Y12-S297 VanDerWaalsContact O-CA 3.31Å; Y12-S297 WeakPolarHBondContact O-CA 3.47Å; Y12-I298 HydrophobicContact CD1-CD1 3.67Å; Y12-I298 HydrophobicContact CD1-CG1 4.05Å; Y12-I298 HydrophobicContact CG-CD1 4.3Å; Y12-I298 PolarHBondContact N-O 2.81Å; Y12-I298 PolarHBondContact O-N 3.24Å
13	D	86.3	Confident	77.2	Confident	79 Å²	79	70.6 Å²	70.6	42%	0.422	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	117.7	-172.1	-160	31.1	0	0	0	108.9	K10	K10-D13 HydrophobicContact CD-CB 4.37Å; K10-D13 WeakPolarHBondContact CE-OD1 3.41Å; K10-D13 WeakPolarHBondContact CE-OD2 3.44Å; K10-D13 IonicContact NZ-OD1 3.53Å; K10-D13 PolarHBondContact NZ-OD1 2.89Å; K10-D13 IonicContact NZ-OD2 3.45Å; K10-D13 PolarHBondContact NZ-OD2 3.43Å
14	I	88.9	Confident	80	Confident	12 Å²	12	63.6 Å²	63.6	6%	0.062	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	150.6	-173.2	49.2	163.7	0	0	0	111.1	Y12 A16 L33 W45 T295 V296	Y12-I14 HydrophobicContact CD1-CG1 4.4Å; Y12-I14 HydrophobicContact CE1-CD1 3.66Å; Y12-I14 HydrophobicContact CE1-CG1 3.91Å; Y12-I14 HydrophobicContact CE1-CG2 3.92Å; Y12-I14 HydrophobicContact CE2-CG2 3.99Å; I14-A16 HydrophobicContact CD1-CB 3.91Å; I14-A16 HydrophobicContact CG1-CB 4.35Å; I14-L33 HydrophobicContact CD1-CD2 4.27Å; I14-W45 HydrophobicContact CB-CZ3 4.45Å; I14-W45 HydrophobicContact CD1-CB 4.35Å; I14-W45 HydrophobicContact CD1-CD2 3.29Å; I14-W45 HydrophobicContact CD1-CE3 3.47Å; I14-W45 VanDerWaalsContact CD1-CE3 3.47Å; I14-W45 HydrophobicContact CD1-CG 3.67Å; I14-W45 HydrophobicContact CD1-CH2 4.24Å; I14-W45 HydrophobicContact CD1-CZ2 4.15Å; I14-W45 HydrophobicContact CD1-CZ3 3.91Å; I14-W45 HydrophobicContact CG2-CE3 4.36Å; I14-W45 HydrophobicContact CG2-CZ3 4.38Å; I14-T295 CarbonylContact O-C 3.6Å; I14-T295 WeakPolarHBondContact O-CA 3.22Å; I14-T295 WeakPolarHBondContact O-CB 3.48Å; I14-V296 HydrophobicContact CG1-CB 4.25Å; I14-V296 WeakPolarHBondContact CG1-O 3.08Å; I14-V296 PolarHBondContact N-O 3.38Å; I14-V296 PolarHBondContact O-N 3.2Å
15	K	88.6	Confident	82.1	Confident	102 Å²	102	58.6 Å²	58.6	44%	0.443	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	111.3	154	173.9	177.5	167.9	62.1	0	106.6	H17 D18 D294	K15-H17 WeakPolarHBondContact CE-O 3.48Å; K15-H17 PolarHBondContact NZ-O 3.48Å; K15-D18 WeakPolarHBondContact CE-OD1 3.32Å; K15-D18 IonicContact NZ-OD1 3.53Å; K15-D294 WeakPolarHBondContact CD-OD2 3.48Å; K15-D294 HydrophobicContact CG-CB 4.4Å; K15-D294 IonicContact NZ-OD2 2.86Å; K15-D294 PolarHBondContact NZ-OD2 3.15Å
16	A	86.1	Confident	83.5	Confident	3 Å²	3	53 Å²	53	3%	0.025	26%	0.264	C	S	.	.			trans	-95	-24.3	-170.5	0	0	0	0	0	113.3	I14 V21 T35 N43 W45 D294 V296	I14-A16 HydrophobicContact CD1-CB 3.91Å; I14-A16 HydrophobicContact CG1-CB 4.35Å; A16-V21 HydrophobicContact CB-CG2 4.24Å; A16-T35 HydrophobicContact CB-CG2 4.2Å; A16-N43 PolarHBondContact O-ND2 3.2Å; A16-W45 VanDerWaalsContact CA-CZ2 3.49Å; A16-W45 HydrophobicContact CB-CZ2 4.03Å; A16-W45 VanDerWaalsContact O-CZ2 3.28Å; A16-W45 WeakPolarHBondContact O-CZ2 3.23Å; A16-D294 PolarHBondContact N-O 3.23Å; A16-V296 HydrophobicContact CB-CB 4.16Å; A16-V296 HydrophobicContact CB-CG2 3.65Å
17	H	89.9	Confident	84.8	Confident	6 Å²	6	44.1 Å²	44.1	3%	0.028	23%	0.226	C	C	.	.			trans	-143.8	169	-178.8	-72.3	-89.8	0	0	0	110.6	K15 S19 V21 T35 D39 N41 N43 D294	K15-H17 WeakPolarHBondContact CE-O 3.48Å; K15-H17 PolarHBondContact NZ-O 3.48Å; H17-S19 WeakPolarHBondContact CB-O 3.47Å; H17-V21 HydrophobicContact CB-CG2 4.26Å; H17-T35 PolarHBondContact CD2-OG1 2.85Å; H17-T35 WeakPolarHBondContact NE2-CB 3.29Å; H17-T35 PolarHBondContact NE2-O 2.88Å; H17-T35 PolarHBondContact NE2-OG1 3.01Å; H17-D39 IonicContact CE1-OD1 3.95Å; H17-D39 IonicContact CG-OD1 3.46Å; H17-D39 IonicContact CG-OD2 2.82Å; H17-D39 IonicContact ND1-OD1 3.69Å; H17-D39 PolarHBondContact ND1-OD1 3.38Å; H17-D39 IonicContact ND1-OD2 3.49Å; H17-D39 PolarHBondContact ND1-OD2 3.35Å; H17-N41 PolarHBondContact CE1-O 3.3Å; H17-N43 PolarHBondContact CE1-ND2 2.84Å; H17-N43 VanDerWaalsContact CE1-ND2 3.33Å; H17-N43 PolarHBondContact ND1-ND2 3.19Å; H17-D294 PolarHBondContact N-O 2.56Å; H17-D294 WeakPolarHBondContact O-CB 3.44Å
18	D	86.6	Confident	85.5	Confident	141 Å²	141	48.8 Å²	48.8	75%	0.754	25%	0.247	S	C	*	.	S	Bend	trans	-87.9	-20	171.4	-78.9	-36.3	0	0	0	113.4	K15	K15-D18 WeakPolarHBondContact CE-OD1 3.32Å; K15-D18 IonicContact NZ-OD1 3.53Å
19	S	89.2	Confident	85.7	Confident	46 Å²	46	50.8 Å²	50.8	32%	0.322	26%	0.261	S	S	.	.	S	Bend	trans	-114.3	-172.6	167.6	-160.1	0	0	0	0	110.3	H17 E38	H17-S19 WeakPolarHBondContact CB-O 3.47Å; S19-E38 PolarHBondContact OG-OE2 2.66Å
20	R	89.6	Confident	85.9	Confident	127 Å²	127	48.6 Å²	48.6	48%	0.479	25%	0.25	S	C	.	.			trans	-60.1	138.9	179.4	-178.9	-177.7	178.6	-169.2	2.9	112.6	G37 E38 I293	R20-G37 WeakPolarHBondContact O-CA 3.47Å; R20-E38 HydrophobicContact CB-CG 4.25Å; R20-E38 WeakPolarHBondContact CD-OE1 3.34Å; R20-E38 PolarHBondContact O-N 3.44Å; R20-I293 CarbonylContact C-O 3.43Å; R20-I293 VanDerWaalsContact CA-O 3.27Å; R20-I293 WeakPolarHBondContact CA-O 3.18Å
21	V	91.6	Very high	86	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	128.1	168.8	-168.8	0	0	0	0	109.6	A16 H17 G36 H291 I293 V296	A16-V21 HydrophobicContact CB-CG2 4.24Å; H17-V21 HydrophobicContact CB-CG2 4.26Å; V21-G36 WeakPolarHBondContact CG1-O 3.5Å; V21-H291 HydrophobicContact CB-CB 4.07Å; V21-H291 HydrophobicContact CG1-CB 4.32Å; V21-I293 PolarHBondContact N-O 2.94Å; V21-V296 HydrophobicContact CB-CG2 4.2Å; V21-V296 HydrophobicContact CG1-CG2 3.82Å; V21-V296 HydrophobicContact CG2-CG2 3.86Å
22	T	89.4	Confident	86.4	Confident	36 Å²	36	49.9 Å²	49.9	22%	0.221	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-37.1	-176.4	59.6	0	0	0	0	111.9	G36 E38 I63	T22-G36 PolarHBondContact N-O 3.42Å; T22-G36 PolarHBondContact OG1-O 2.88Å; T22-G36 VanDerWaalsContact OG1-O 3.12Å; T22-E38 HydrophobicContact CG2-CG 3.87Å; T22-I63 VanDerWaalsContact CB-O 3.26Å; T22-I63 WeakPolarHBondContact CB-O 3.46Å; T22-I63 VanDerWaalsContact CG2-O 3.31Å; T22-I63 WeakPolarHBondContact CG2-O 3.25Å; T22-I63 PolarHBondContact OG1-O 3.03Å
23	S	89.1	Confident	86.8	Confident	14 Å²	14	49.5 Å²	49.5	10%	0.098	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	150.9	-166.7	52.4	0	0	0	0	110.5	G36	S23-G36 PolarHBondContact O-N 2.97Å
24	L	91.8	Very high	87.1	Confident	8 Å²	8	45.8 Å²	45.8	4%	0.042	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	155.6	176.9	59.9	82.7	0	0	0	109.8	L33 V34 T35 A277 D278 V296	L24-L33 HydrophobicContact CB-CD1 4.29Å; L24-V34 CarbonylContact C-O 3.57Å; L24-V34 VanDerWaalsContact CA-O 3.26Å; L24-V34 WeakPolarHBondContact CA-O 3.37Å; L24-T35 HydrophobicContact CB-CG2 4.3Å; L24-A277 HydrophobicContact CD1-CB 4.22Å; L24-A277 HydrophobicContact CD2-CB 3.83Å; L24-A277 HydrophobicContact CG-CB 3.84Å; L24-D278 HydrophobicContact CD1-CB 4.34Å; L24-V296 HydrophobicContact CD2-CG1 3.82Å
25	D	90.5	Very high	87.2	Confident	14 Å²	14	45.2 Å²	45.2	8%	0.075	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	157.8	172.3	-169.1	32.8	0	0	0	111.5	V34 R67 F68	D25-V34 HydrophobicContact CB-CG1 3.87Å; D25-V34 PolarHBondContact N-O 3.49Å; D25-V34 PolarHBondContact O-N 3.31Å; D25-R67 VanDerWaalsContact CG-CD 3.42Å; D25-R67 IonicContact OD1-CZ 3.38Å; D25-R67 IonicContact OD1-NH1 3.9Å; D25-R67 PolarHBondContact OD1-NH1 3.46Å; D25-R67 VanDerWaalsContact OD2-CA 3.28Å; D25-R67 WeakPolarHBondContact OD2-CA 3.43Å; D25-R67 WeakPolarHBondContact OD2-CD 3.1Å; D25-F68 HydrophobicContact CB-CD2 4.28Å; D25-F68 PolarHBondContact OD2-N 3.36Å
26	L	87.2	Confident	87.5	Confident	9 Å²	9	40.3 Å²	40.3	5%	0.047	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.5	-179	-71.9	165.3	0	0	0	109.6	L33 I47 K280 I287 I298	L26-L33 HydrophobicContact CD2-CB 4.01Å; L26-L33 HydrophobicContact CD2-CD1 3.73Å; L26-L33 HydrophobicContact CG-CD1 4.21Å; L26-I47 HydrophobicContact CD2-CD1 3.86Å; L26-K280 HydrophobicContact CB-CD 4.22Å; L26-K280 PolarHBondContact O-NZ 2.7Å; L26-I287 HydrophobicContact CD1-CB 4.1Å; L26-I287 HydrophobicContact CD1-CG2 3.49Å; L26-I287 VanDerWaalsContact CD1-CG2 3.49Å; L26-I298 HydrophobicContact CD2-CD1 4.04Å
27	G	83.9	Confident	87.7	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.202	C	C	.	.			trans	-56.3	160.4	176.1	0	0	0	0	0	112.4	T29 G30 V32 F68 D72 K280	G27-T29 PolarHBondContact O-N 3.19Å; G27-G30 PolarHBondContact O-N 3.21Å; G27-V32 PolarHBondContact N-O 3.39Å; G27-F68 VanDerWaalsContact N-CD2 3.33Å; G27-D72 VanDerWaalsContact CA-OD1 3.31Å; G27-D72 WeakPolarHBondContact CA-OD1 3.46Å; G27-K280 PolarHBondContact O-NZ 2.95Å; G27-K280 VanDerWaalsContact O-NZ 3.16Å
28	E	79.1	Confident	87.9	Confident	118 Å²	118	43.8 Å²	43.8	55%	0.551	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-36.9	177.6	-166.6	178.1	142	0	0	111.3	G30 D72	E28-G30 PolarHBondContact O-N 3.35Å; E28-D72 PolarHBondContact N-OD1 3.47Å; E28-D72 PolarHBondContact N-OD2 3.23Å
29	T	77.9	Confident	88.1	Confident	80 Å²	80	38 Å²	38	49%	0.491	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.1	175.2	56	0	0	0	0	114.7	G27 R31 D72	G27-T29 PolarHBondContact O-N 3.19Å; T29-R31 PolarHBondContact O-N 3.17Å; T29-D72 WeakPolarHBondContact CB-OD2 3.41Å; T29-D72 VanDerWaalsContact CG2-OD2 3.28Å; T29-D72 WeakPolarHBondContact CG2-OD2 3.49Å; T29-D72 PolarHBondContact N-OD2 3.43Å; T29-D72 VanDerWaalsContact N-OD2 3.09Å; T29-D72 PolarHBondContact OG1-OD2 3.38Å
30	G	77.8	Confident	88.3	Confident	22 Å²	22	42.1 Å²	42.1	23%	0.227	20%	0.197	C	C	.	.	S	Bend	trans	63	18.7	-177.3	0	0	0	0	0	114.6	G27 E28	G27-G30 PolarHBondContact O-N 3.21Å; E28-G30 PolarHBondContact O-N 3.35Å
31	R	81.1	Confident	88.4	Confident	190 Å²	190	38 Å²	38	72%	0.717	19%	0.185	S	C	*	.	S	Bend	trans	-106.3	-24.3	-179.2	-66.3	178.6	-175.9	-170.6	0.8	113.9	T29 I47	T29-R31 PolarHBondContact O-N 3.17Å; R31-I47 WeakPolarHBondContact O-CG1 3.24Å; R31-I47 PolarHBondContact O-N 3.21Å
32	V	88.2	Confident	88.6	Confident	33 Å²	33	38 Å²	38	20%	0.2	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.2	-176.5	-168.7	0	0	0	0	108.8	G27 L44 W45 F53 F68	G27-V32 PolarHBondContact N-O 3.39Å; V32-L44 HydrophobicContact CG1-CB 4.48Å; V32-L44 HydrophobicContact CG1-CD2 4.24Å; V32-W45 WeakPolarHBondContact CA-O 3.36Å; V32-F53 HydrophobicContact CG1-CE1 3.99Å; V32-F53 HydrophobicContact CG1-CZ 3.95Å; V32-F68 HydrophobicContact CB-CZ 4.12Å; V32-F68 HydrophobicContact CG1-CE1 4.4Å; V32-F68 HydrophobicContact CG1-CZ 3.82Å
33	L	89.6	Confident	88.8	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	141.7	167.4	170.2	84.8	0	0	0	107.8	Y12 I14 L24 L26 T35 L44 W45 I47 V296 I298	Y12-L33 HydrophobicContact CE1-CD2 4.27Å; I14-L33 HydrophobicContact CD1-CD2 4.27Å; L24-L33 HydrophobicContact CB-CD1 4.29Å; L26-L33 HydrophobicContact CD2-CB 4.01Å; L26-L33 HydrophobicContact CD2-CD1 3.73Å; L26-L33 HydrophobicContact CG-CD1 4.21Å; L33-T35 HydrophobicContact CD2-CG2 3.75Å; L33-T35 HydrophobicContact CG-CG2 4.01Å; L33-L44 WeakPolarHBondContact O-CA 3.41Å; L33-W45 HydrophobicContact CB-CB 4.19Å; L33-W45 HydrophobicContact CD2-CB 4.26Å; L33-W45 HydrophobicContact CD2-CG 4.32Å; L33-W45 PolarHBondContact N-O 2.94Å; L33-W45 PolarHBondContact O-N 3.28Å; L33-I47 HydrophobicContact CB-CG1 4.42Å; L33-V296 HydrophobicContact CD2-CG1 3.98Å; L33-I298 HydrophobicContact CB-CD1 4.18Å; L33-I298 HydrophobicContact CD1-CD1 4.21Å; L33-I298 HydrophobicContact CD1-CG1 4.48Å; L33-I298 HydrophobicContact CD2-CD1 4.18Å; L33-I298 HydrophobicContact CD2-CG1 4.49Å; L33-I298 HydrophobicContact CG-CD1 4.42Å
34	V	92.1	Very high	88.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	142.8	165.2	71.3	0	0	0	0	109.8	L24 D25 V42 N43 L44 V66 F68 V75	L24-V34 CarbonylContact C-O 3.57Å; L24-V34 VanDerWaalsContact CA-O 3.26Å; L24-V34 WeakPolarHBondContact CA-O 3.37Å; D25-V34 HydrophobicContact CB-CG1 3.87Å; D25-V34 PolarHBondContact N-O 3.49Å; D25-V34 PolarHBondContact O-N 3.31Å; V34-V42 HydrophobicContact CG2-CG1 3.35Å; V34-N43 CarbonylContact C-O 3.57Å; V34-N43 WeakPolarHBondContact CA-O 3.47Å; V34-L44 HydrophobicContact CB-CG 4.3Å; V34-L44 HydrophobicContact CG2-CD1 3.91Å; V34-L44 HydrophobicContact CG2-CG 3.92Å; V34-V66 HydrophobicContact CB-CG1 4.31Å; V34-V66 HydrophobicContact CG1-CB 4.41Å; V34-V66 HydrophobicContact CG1-CG1 3.6Å; V34-V66 HydrophobicContact CG2-CG1 3.7Å; V34-F68 HydrophobicContact CB-CD2 4.49Å; V34-F68 HydrophobicContact CB-CE2 3.65Å; V34-F68 HydrophobicContact CB-CZ 3.76Å; V34-F68 HydrophobicContact CG1-CD2 3.8Å; V34-F68 HydrophobicContact CG1-CE2 3.39Å; V34-F68 HydrophobicContact CG1-CZ 3.98Å; V34-V75 HydrophobicContact CG2-CG1 4.11Å; V34-V75 HydrophobicContact CG2-CG2 4.43Å
35	T	92.8	Very high	88.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.7	179.6	59.8	0	0	0	0	110.4	A16 H17 L24 L33 V42 N43 W45 V296	A16-T35 HydrophobicContact CB-CG2 4.2Å; H17-T35 PolarHBondContact CD2-OG1 2.85Å; H17-T35 WeakPolarHBondContact NE2-CB 3.29Å; H17-T35 PolarHBondContact NE2-O 2.88Å; H17-T35 PolarHBondContact NE2-OG1 3.01Å; L24-T35 HydrophobicContact CB-CG2 4.3Å; L33-T35 HydrophobicContact CD2-CG2 3.75Å; L33-T35 HydrophobicContact CG-CG2 4.01Å; T35-V42 CarbonylContact O-C 3.51Å; T35-V42 WeakPolarHBondContact O-CA 3.23Å; T35-N43 PolarHBondContact N-O 3.48Å; T35-N43 PolarHBondContact O-N 3.5Å; T35-N43 PolarHBondContact OG1-O 3.08Å; T35-W45 PolarHBondContact OG1-NE1 3.48Å; T35-V296 HydrophobicContact CG2-CG1 4.46Å; T35-V296 HydrophobicContact CG2-CG2 3.96Å
36	G	93.2	Very high	88.8	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	140.2	170.9	0	0	0	0	0	110.7	V21 T22 S23	V21-G36 WeakPolarHBondContact CG1-O 3.5Å; T22-G36 PolarHBondContact N-O 3.42Å; T22-G36 PolarHBondContact OG1-O 2.88Å; T22-G36 VanDerWaalsContact OG1-O 3.12Å; S23-G36 PolarHBondContact O-N 2.97Å
37	G	92.1	Very high	88.6	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	162.9	-177.8	0	0	0	0	0	114.7	R20 D39 R40 N41 I63	R20-G37 WeakPolarHBondContact O-CA 3.47Å; G37-D39 PolarHBondContact O-N 2.98Å; G37-R40 PolarHBondContact O-N 2.86Å; G37-R40 VanDerWaalsContact O-N 3.12Å; G37-N41 PolarHBondContact N-O 3.46Å; G37-I63 PolarHBondContact O-N 2.97Å
38	E	92.6	Very high	88.3	Confident	81 Å²	81	41.9 Å²	41.9	38%	0.379	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-14.4	169.5	-68.4	176.3	-175.6	0	0	112.4	S19 R20 T22 R40	S19-E38 PolarHBondContact OG-OE2 2.66Å; R20-E38 HydrophobicContact CB-CG 4.25Å; R20-E38 WeakPolarHBondContact CD-OE1 3.34Å; R20-E38 PolarHBondContact O-N 3.44Å; T22-E38 HydrophobicContact CG2-CG 3.87Å; E38-R40 PolarHBondContact O-N 3.17Å
39	D	91.5	Very high	88.5	Confident	20 Å²	20	41.7 Å²	41.7	11%	0.107	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-10.3	172.1	70.9	-12.1	0	0	0	113.6	H17 G37 N41	H17-D39 IonicContact CE1-OD1 3.95Å; H17-D39 IonicContact CG-OD1 3.46Å; H17-D39 IonicContact CG-OD2 2.82Å; H17-D39 IonicContact ND1-OD1 3.69Å; H17-D39 PolarHBondContact ND1-OD1 3.38Å; H17-D39 IonicContact ND1-OD2 3.49Å; H17-D39 PolarHBondContact ND1-OD2 3.35Å; G37-D39 PolarHBondContact O-N 2.98Å; D39-N41 PolarHBondContact OD1-N 3.39Å; D39-N41 PolarHBondContact OD2-ND2 3.02Å
40	R	93.1	Very high	88.6	Confident	133 Å²	133	43.4 Å²	43.4	50%	0.502	22%	0.224	S	C	.	.	S	Bend	trans	76.4	17.1	-179.6	-38.1	152.4	-69.5	-174.9	0.2	114.1	G37 E38 H59 R61	G37-R40 PolarHBondContact O-N 2.86Å; G37-R40 VanDerWaalsContact O-N 3.12Å; E38-R40 PolarHBondContact O-N 3.17Å; R40-H59 HydrophobicContact CB-CB 4.32Å; R40-H59 WeakPolarHBondContact CB-O 3.47Å; R40-R61 WeakPolarHBondContact CB-O 3.43Å; R40-R61 VanDerWaalsContact CG-O 3.3Å; R40-R61 WeakPolarHBondContact CG-O 3.42Å
41	N	92.8	Very high	88.9	Confident	41 Å²	41	49.5 Å²	49.5	22%	0.219	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	149.3	176.2	-56.8	-46	0	0	0	110.9	H17 G37 D39 T57 I63	H17-N41 PolarHBondContact CE1-O 3.3Å; G37-N41 PolarHBondContact N-O 3.46Å; D39-N41 PolarHBondContact OD1-N 3.39Å; D39-N41 PolarHBondContact OD2-ND2 3.02Å; N41-T57 WeakPolarHBondContact OD1-CG2 3.43Å; N41-I63 WeakPolarHBondContact O-CD1 3.42Å
42	V	94.3	Very high	89.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	111.9	165.4	179.9	0	0	0	0	108.1	V34 T35 L44 L56 I63 V66 V75	V34-V42 HydrophobicContact CG2-CG1 3.35Å; T35-V42 CarbonylContact O-C 3.51Å; T35-V42 WeakPolarHBondContact O-CA 3.23Å; V42-L44 HydrophobicContact CG1-CD1 4.48Å; V42-L56 HydrophobicContact CB-CB 4.15Å; V42-L56 HydrophobicContact CG1-CD1 4.42Å; V42-L56 PolarHBondContact N-O 3.12Å; V42-L56 VanDerWaalsContact N-O 3.15Å; V42-L56 WeakPolarHBondContact O-CB 3.49Å; V42-L56 PolarHBondContact O-N 3.32Å; V42-I63 HydrophobicContact CG2-CD1 3.55Å; V42-I63 HydrophobicContact CG2-CG1 4.35Å; V42-V66 HydrophobicContact CG1-CG1 3.84Å; V42-V66 HydrophobicContact CG1-CG2 4.35Å; V42-V66 HydrophobicContact CG2-CG2 4.23Å; V42-V75 HydrophobicContact CG1-CG1 4.12Å
43	N	93.4	Very high	89.2	Confident	13 Å²	13	45.7 Å²	45.7	7%	0.07	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.9	-173.4	-69.6	-19.6	0	0	0	111.1	A16 H17 V34 T35 W45 S55	A16-N43 PolarHBondContact O-ND2 3.2Å; H17-N43 PolarHBondContact CE1-ND2 2.84Å; H17-N43 VanDerWaalsContact CE1-ND2 3.33Å; H17-N43 PolarHBondContact ND1-ND2 3.19Å; V34-N43 CarbonylContact C-O 3.57Å; V34-N43 WeakPolarHBondContact CA-O 3.47Å; T35-N43 PolarHBondContact N-O 3.48Å; T35-N43 PolarHBondContact O-N 3.5Å; T35-N43 PolarHBondContact OG1-O 3.08Å; N43-W45 HydrophobicContact CB-CZ2 3.84Å; N43-W45 PolarHBondContact O-NE1 3.49Å; N43-S55 VanDerWaalsContact OD1-CB 3.28Å; N43-S55 WeakPolarHBondContact OD1-CB 3.48Å; N43-S55 PolarHBondContact OD1-OG 3Å
44	L	92.4	Very high	89.2	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	138.1	178.4	-74.2	83.5	0	0	0	111.7	V32 L33 V34 V42 F53 M54 L56 V75 L89	V32-L44 HydrophobicContact CG1-CB 4.48Å; V32-L44 HydrophobicContact CG1-CD2 4.24Å; L33-L44 WeakPolarHBondContact O-CA 3.41Å; V34-L44 HydrophobicContact CB-CG 4.3Å; V34-L44 HydrophobicContact CG2-CD1 3.91Å; V34-L44 HydrophobicContact CG2-CG 3.92Å; V42-L44 HydrophobicContact CG1-CD1 4.48Å; L44-F53 HydrophobicContact CB-CD1 4.47Å; L44-F53 HydrophobicContact CB-CE1 3.77Å; L44-F53 HydrophobicContact CB-CE2 4.39Å; L44-F53 HydrophobicContact CB-CZ 3.73Å; L44-F53 HydrophobicContact CD2-CZ 4.22Å; L44-F53 VanDerWaalsContact O-CD1 3.22Å; L44-F53 WeakPolarHBondContact O-CD1 3.42Å; L44-F53 PolarHBondContact O-N 3.13Å; L44-M54 HydrophobicContact CB-CB 4.27Å; L44-M54 PolarHBondContact N-O 3.49Å; L44-L56 HydrophobicContact CD1-CD1 3.53Å; L44-L56 HydrophobicContact CD1-CG 4Å; L44-V75 HydrophobicContact CD2-CG2 4.42Å; L44-L89 HydrophobicContact CD1-CD2 4.45Å; L44-L89 HydrophobicContact CD2-CD1 3.57Å; L44-L89 HydrophobicContact CD2-CD2 3.65Å; L44-L89 HydrophobicContact CD2-CG 4.26Å
45	W	91	Very high	89.1	Confident	12 Å²	12	49.3 Å²	49.3	5%	0.045	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	126.1	-165.7	-56.9	93	0	0	0	110.5	Y12 I14 A16 V32 L33 T35 N43 C52	Y12-W45 HydrophobicContact CE1-CB 4.14Å; I14-W45 HydrophobicContact CB-CZ3 4.45Å; I14-W45 HydrophobicContact CD1-CB 4.35Å; I14-W45 HydrophobicContact CD1-CD2 3.29Å; I14-W45 HydrophobicContact CD1-CE3 3.47Å; I14-W45 VanDerWaalsContact CD1-CE3 3.47Å; I14-W45 HydrophobicContact CD1-CG 3.67Å; I14-W45 HydrophobicContact CD1-CH2 4.24Å; I14-W45 HydrophobicContact CD1-CZ2 4.15Å; I14-W45 HydrophobicContact CD1-CZ3 3.91Å; I14-W45 HydrophobicContact CG2-CE3 4.36Å; I14-W45 HydrophobicContact CG2-CZ3 4.38Å; A16-W45 VanDerWaalsContact CA-CZ2 3.49Å; A16-W45 HydrophobicContact CB-CZ2 4.03Å; A16-W45 VanDerWaalsContact O-CZ2 3.28Å; A16-W45 WeakPolarHBondContact O-CZ2 3.23Å; V32-W45 WeakPolarHBondContact CA-O 3.36Å; L33-W45 HydrophobicContact CB-CB 4.19Å; L33-W45 HydrophobicContact CD2-CB 4.26Å; L33-W45 HydrophobicContact CD2-CG 4.32Å; L33-W45 PolarHBondContact N-O 2.94Å; L33-W45 PolarHBondContact O-N 3.28Å; T35-W45 PolarHBondContact OG1-NE1 3.48Å; N43-W45 HydrophobicContact CB-CZ2 3.84Å; N43-W45 PolarHBondContact O-NE1 3.49Å; W45-C52 HydrophobicContact CE3-CB 4.2Å; W45-C52 HydrophobicContact CH2-CB 3.55Å; W45-C52 HydrophobicContact CZ2-CB 3.83Å; W45-C52 HydrophobicContact CZ3-CB 3.75Å; W45-C52 VanDerWaalsContact CZ3-N 3.3Å
46	A	88.4	Confident	89.1	Confident	23 Å²	23	49.5 Å²	49.5	19%	0.19	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	118	173.6	0	0	0	0	0	108.4	G48 Q49 F53	A46-G48 PolarHBondContact O-N 3.25Å; A46-Q49 HydrophobicContact CB-CB 4.33Å; A46-Q49 HydrophobicContact CB-CG 4.22Å; A46-Q49 PolarHBondContact O-N 3.07Å; A46-F53 HydrophobicContact CB-CD1 4.06Å; A46-F53 HydrophobicContact CB-CE1 4.26Å
47	I	83.3	Confident	88.9	Confident	53 Å²	53	53.8 Å²	53.8	27%	0.272	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	115.4	-172	-64.1	172.4	0	0	0	109.6	I11 Y12 L26 R31 L33 I298	I11-I47 HydrophobicContact CG2-CG2 4.23Å; Y12-I47 HydrophobicContact CG-CG2 4.47Å; L26-I47 HydrophobicContact CD2-CD1 3.86Å; R31-I47 WeakPolarHBondContact O-CG1 3.24Å; R31-I47 PolarHBondContact O-N 3.21Å; L33-I47 HydrophobicContact CB-CG1 4.42Å; I47-I298 HydrophobicContact CD1-CD1 3.63Å; I47-I298 HydrophobicContact CG1-CD1 3.75Å
48	G	78.1	Confident	88.7	Confident	61 Å²	61	55.4 Å²	55.4	63%	0.629	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.1	-0.2	-172	0	0	0	0	0	115.5	A46	A46-G48 PolarHBondContact O-N 3.25Å
49	Q	83.2	Confident	88.6	Confident	113 Å²	113	51.9 Å²	51.9	53%	0.528	29%	0.289	S	S	.	.			trans	-117.2	127.5	169.1	-59.8	-178.6	1.4	0	0	109.3	Y12 A46 E51	Y12-Q49 VanDerWaalsContact CE2-O 3.24Å; Y12-Q49 WeakPolarHBondContact CE2-O 3.33Å; Y12-Q49 PolarHBondContact OH-O 2.92Å; A46-Q49 HydrophobicContact CB-CB 4.33Å; A46-Q49 HydrophobicContact CB-CG 4.22Å; A46-Q49 PolarHBondContact O-N 3.07Å; Q49-E51 VanDerWaalsContact C-N 3.25Å; Q49-E51 PolarHBondContact O-N 3.08Å
50	N	80.1	Confident	88.6	Confident	117 Å²	117	55.8 Å²	55.8	63%	0.626	31%	0.31	S	S	*	.			trans	-79.1	-6.6	-176	-68.6	17	0	0	0	114
51	E	83.8	Confident	88.6	Confident	150 Å²	150	55.3 Å²	55.3	70%	0.701	31%	0.308	S	S	*	.	S	Bend	trans	-93.4	143	-178.8	-61.4	-60.7	151.2	0	0	111.6	Q49 F53	Q49-E51 VanDerWaalsContact C-N 3.25Å; Q49-E51 PolarHBondContact O-N 3.08Å; E51-F53 PolarHBondContact O-N 2.77Å
52	C	87.5	Confident	88.6	Confident	47 Å²	47	54.4 Å²	54.4	32%	0.318	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	116.7	169	-175.9	0	0	0	0	108.9	W45 M54	W45-C52 HydrophobicContact CE3-CB 4.2Å; W45-C52 HydrophobicContact CH2-CB 3.55Å; W45-C52 HydrophobicContact CZ2-CB 3.83Å; W45-C52 HydrophobicContact CZ3-CB 3.75Å; W45-C52 VanDerWaalsContact CZ3-N 3.3Å; C52-M54 PolarHBondContact SG-O 2.76Å; C52-M54 VanDerWaalsContact SG-O 3.38Å
53	F	88.5	Confident	88.7	Confident	96 Å²	96	54.4 Å²	54.4	42%	0.421	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-17.2	-179.3	77.7	-93	0	0	0	113	V32 L44 A46 E51	V32-F53 HydrophobicContact CG1-CE1 3.99Å; V32-F53 HydrophobicContact CG1-CZ 3.95Å; L44-F53 HydrophobicContact CB-CD1 4.47Å; L44-F53 HydrophobicContact CB-CE1 3.77Å; L44-F53 HydrophobicContact CB-CE2 4.39Å; L44-F53 HydrophobicContact CB-CZ 3.73Å; L44-F53 HydrophobicContact CD2-CZ 4.22Å; L44-F53 VanDerWaalsContact O-CD1 3.22Å; L44-F53 WeakPolarHBondContact O-CD1 3.42Å; L44-F53 PolarHBondContact O-N 3.13Å; A46-F53 HydrophobicContact CB-CD1 4.06Å; A46-F53 HydrophobicContact CB-CE1 4.26Å; E51-F53 PolarHBondContact O-N 2.77Å
54	M	88.3	Confident	88.7	Confident	18 Å²	18	55.8 Å²	55.8	9%	0.089	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	121.1	177.7	-175.3	-174.4	-53	0	0	110.9	L44 C52 L56 L89 Q92	L44-M54 HydrophobicContact CB-CB 4.27Å; L44-M54 PolarHBondContact N-O 3.49Å; C52-M54 PolarHBondContact SG-O 2.76Å; C52-M54 VanDerWaalsContact SG-O 3.38Å; M54-L56 HydrophobicContact CG-CD2 4.06Å; M54-L56 HydrophobicContact CG-CG 4.29Å; M54-L56 HydrophobicContact SD-CD2 3.8Å; M54-L56 HydrophobicContact SD-CG 4.27Å; M54-L89 HydrophobicContact SD-CD2 4.05Å; M54-Q92 HydrophobicContact CE-CG 3.75Å; M54-Q92 HydrophobicContact SD-CB 4.45Å; M54-Q92 HydrophobicContact SD-CG 4.09Å
55	S	91.9	Very high	88.7	Confident	57 Å²	57	56.1 Å²	56.1	40%	0.399	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	115.8	171.6	164.2	0	0	0	0	109.3	N43 T57	N43-S55 VanDerWaalsContact OD1-CB 3.28Å; N43-S55 WeakPolarHBondContact OD1-CB 3.48Å; N43-S55 PolarHBondContact OD1-OG 3Å; S55-T57 PolarHBondContact O-N 3.1Å; S55-T57 WeakPolarHBondContact OG-CG2 3.35Å
56	L	91.4	Very high	88.9	Confident	5 Å²	5	55.6 Å²	55.6	3%	0.026	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	94.8	179.5	-61	169.9	0	0	0	109	V42 L44 M54 W87 L89	V42-L56 HydrophobicContact CB-CB 4.15Å; V42-L56 HydrophobicContact CG1-CD1 4.42Å; V42-L56 PolarHBondContact N-O 3.12Å; V42-L56 VanDerWaalsContact N-O 3.15Å; V42-L56 WeakPolarHBondContact O-CB 3.49Å; V42-L56 PolarHBondContact O-N 3.32Å; L44-L56 HydrophobicContact CD1-CD1 3.53Å; L44-L56 HydrophobicContact CD1-CG 4Å; M54-L56 HydrophobicContact CG-CD2 4.06Å; M54-L56 HydrophobicContact CG-CG 4.29Å; M54-L56 HydrophobicContact SD-CD2 3.8Å; M54-L56 HydrophobicContact SD-CG 4.27Å; L56-W87 HydrophobicContact CB-CD2 3.92Å; L56-W87 HydrophobicContact CB-CE3 3.81Å; L56-W87 HydrophobicContact CB-CH2 4.2Å; L56-W87 HydrophobicContact CB-CZ2 4.3Å; L56-W87 HydrophobicContact CB-CZ3 3.94Å; L56-W87 HydrophobicContact CD1-CB 3.75Å; L56-W87 HydrophobicContact CD1-CD2 4.03Å; L56-W87 HydrophobicContact CD1-CE3 4.38Å; L56-W87 HydrophobicContact CD1-CG 3.75Å; L56-W87 HydrophobicContact CD2-CD2 4.37Å; L56-W87 HydrophobicContact CD2-CE3 3.89Å; L56-W87 HydrophobicContact CD2-CZ3 4.48Å; L56-W87 HydrophobicContact CG-CD2 4.34Å; L56-W87 HydrophobicContact CG-CE3 4.25Å; L56-L89 HydrophobicContact CD1-CD2 4.04Å
57	T	90.1	Very high	89.1	Confident	89 Å²	89	57.1 Å²	57.1	55%	0.546	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	142.6	-177	66	0	0	0	0	111.4	N41 S55 W87	N41-T57 WeakPolarHBondContact OD1-CG2 3.43Å; S55-T57 PolarHBondContact O-N 3.1Å; S55-T57 WeakPolarHBondContact OG-CG2 3.35Å; T57-W87 WeakPolarHBondContact O-CH2 3.37Å
58	G	86.4	Confident	89.5	Confident	34 Å²	34	55.3 Å²	55.3	35%	0.351	30%	0.304	S	S	.	.			trans	150.4	-8.8	168.4	0	0	0	0	0	116.6	R85	G58-R85 PolarHBondContact O-NH1 3.46Å; G58-R85 PolarHBondContact O-NH2 3Å
59	H	91.3	Very high	89.9	Confident	8 Å²	8	53.1 Å²	53.1	4%	0.037	28%	0.28	C	S	.	.			trans	-65.7	145.1	169.4	-82.8	-62.4	0	0	0	110.8	R40 R61 I63 S77 D79 R85	R40-H59 HydrophobicContact CB-CB 4.32Å; R40-H59 WeakPolarHBondContact CB-O 3.47Å; H59-R61 VanDerWaalsContact C-N 3.34Å; H59-I63 HydrophobicContact CB-CG1 4.28Å; H59-S77 PolarHBondContact NE2-OG 3.49Å; H59-D79 IonicContact ND1-OD2 3.73Å; H59-R85 VanDerWaalsContact CE1-CD 3.45Å; H59-R85 WeakPolarHBondContact CE1-CD 3.46Å; H59-R85 PolarHBondContact CE1-NE 3.08Å; H59-R85 PolarHBondContact ND1-NE 3.16Å; H59-R85 VanDerWaalsContact ND1-NE 3.11Å
60	N	91.2	Very high	89.4	Confident	102 Å²	102	52.9 Å²	52.9	55%	0.545	28%	0.275	S	S	.	.	S	Bend	trans	-93.5	0.3	-177.6	-68.9	-23.5	0	0	0	112.4
61	R	93.3	Very high	89.1	Confident	123 Å²	123	54.3 Å²	54.3	46%	0.464	28%	0.276	S	S	.	.	S	Bend	trans	-156.1	161.5	-157.8	-81.3	-52.2	-178	-89	3.3	111.2	R40 H59 I63 D79 D80 I81	R40-R61 WeakPolarHBondContact CB-O 3.43Å; R40-R61 VanDerWaalsContact CG-O 3.3Å; R40-R61 WeakPolarHBondContact CG-O 3.42Å; H59-R61 VanDerWaalsContact C-N 3.34Å; R61-I63 PolarHBondContact O-N 2.94Å; R61-D79 HydrophobicContact CB-CB 3.95Å; R61-D80 WeakPolarHBondContact CB-OD1 3.44Å; R61-D80 WeakPolarHBondContact CB-OD2 3.43Å; R61-D80 WeakPolarHBondContact CD-OD1 3.42Å; R61-D80 WeakPolarHBondContact CD-OD2 3.37Å; R61-D80 VanDerWaalsContact CG-OD1 3.23Å; R61-D80 WeakPolarHBondContact CG-OD1 3.46Å; R61-D80 IonicContact NE-OD1 3.81Å; R61-I81 HydrophobicContact CG-CD1 4.01Å; R61-I81 HydrophobicContact CG-CG1 4.08Å; R61-I81 HydrophobicContact CG-CG2 4.23Å
62	S	93.4	Very high	88.6	Confident	22 Å²	22	48.5 Å²	48.5	15%	0.154	25%	0.249	C	C	.	.			trans	-55	136.4	178.5	-179.6	0	0	0	0	108.9	D79 D80	S62-D79 CarbonylContact O-C 3.55Å; S62-D79 WeakPolarHBondContact O-CA 3.39Å; S62-D79 WeakPolarHBondContact O-CB 3.49Å; S62-D80 WeakPolarHBondContact CB-OD2 3.42Å; S62-D80 PolarHBondContact N-OD2 3.35Å; S62-D80 PolarHBondContact O-N 3.47Å
63	I	95	Very high	88.5	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	125.7	172.3	-66.8	147.2	0	0	0	106.7	T22 G37 N41 V42 H59 R61 V66 A78	T22-I63 VanDerWaalsContact CB-O 3.26Å; T22-I63 WeakPolarHBondContact CB-O 3.46Å; T22-I63 VanDerWaalsContact CG2-O 3.31Å; T22-I63 WeakPolarHBondContact CG2-O 3.25Å; T22-I63 PolarHBondContact OG1-O 3.03Å; G37-I63 PolarHBondContact O-N 2.97Å; N41-I63 WeakPolarHBondContact O-CD1 3.42Å; V42-I63 HydrophobicContact CG2-CD1 3.55Å; V42-I63 HydrophobicContact CG2-CG1 4.35Å; H59-I63 HydrophobicContact CB-CG1 4.28Å; R61-I63 PolarHBondContact O-N 2.94Å; I63-V66 HydrophobicContact CG2-CG2 3.42Å; I63-V66 VanDerWaalsContact CG2-CG2 3.42Å; I63-A78 CarbonylContact C-O 3.44Å; I63-A78 WeakPolarHBondContact CA-O 3.28Å
64	D	93.4	Very high	88.5	Confident	41 Å²	41	47.5 Å²	47.5	22%	0.219	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-19.1	-178.6	-71.9	-20.3	0	0	0	112.7	A78 S104	D64-A78 PolarHBondContact N-O 3.26Å; D64-S104 VanDerWaalsContact OD2-CB 3.25Å; D64-S104 WeakPolarHBondContact OD2-CB 3.5Å; D64-S104 PolarHBondContact OD2-OG 2.91Å
65	C	93.4	Very high	88.8	Confident	8 Å²	8	46.6 Å²	46.6	5%	0.054	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	139	178.5	-171.3	0	0	0	0	111.3	S77 A78 V105	C65-S77 CarbonylContact O-C 3.59Å; C65-S77 VanDerWaalsContact O-CA 3.3Å; C65-S77 WeakPolarHBondContact O-CA 3.31Å; C65-A78 HydrophobicContact CB-CB 4.41Å; C65-A78 PolarHBondContact N-O 2.93Å; C65-A78 PolarHBondContact O-N 3.25Å; C65-V105 WeakPolarHBondContact CB-O 3.5Å
66	V	94.8	Very high	88.9	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	139.5	169.9	-170.8	0	0	0	0	109.3	V34 V42 I63 V75 Y76	V34-V66 HydrophobicContact CB-CG1 4.31Å; V34-V66 HydrophobicContact CG1-CB 4.41Å; V34-V66 HydrophobicContact CG1-CG1 3.6Å; V34-V66 HydrophobicContact CG2-CG1 3.7Å; V42-V66 HydrophobicContact CG1-CG1 3.84Å; V42-V66 HydrophobicContact CG1-CG2 4.35Å; V42-V66 HydrophobicContact CG2-CG2 4.23Å; I63-V66 HydrophobicContact CG2-CG2 3.42Å; I63-V66 VanDerWaalsContact CG2-CG2 3.42Å; V66-V75 HydrophobicContact CG1-CG1 3.65Å; V66-Y76 CarbonylContact C-O 3.51Å; V66-Y76 VanDerWaalsContact CA-O 3.31Å; V66-Y76 WeakPolarHBondContact CA-O 3.45Å; V66-Y76 WeakPolarHBondContact CG1-O 3.38Å
67	R	93.3	Very high	89.1	Confident	55 Å²	55	43.9 Å²	43.9	21%	0.208	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	149.6	174.9	-68.9	-63.4	-178.7	179.8	-5.6	113.3	D25 Y76 L108 F110 D278	D25-R67 VanDerWaalsContact CG-CD 3.42Å; D25-R67 IonicContact OD1-CZ 3.38Å; D25-R67 IonicContact OD1-NH1 3.9Å; D25-R67 PolarHBondContact OD1-NH1 3.46Å; D25-R67 VanDerWaalsContact OD2-CA 3.28Å; D25-R67 WeakPolarHBondContact OD2-CA 3.43Å; D25-R67 WeakPolarHBondContact OD2-CD 3.1Å; R67-Y76 PolarHBondContact N-O 2.96Å; R67-Y76 PolarHBondContact O-N 3.39Å; R67-L108 HydrophobicContact CG-CB 4.17Å; R67-F110 HydrophobicContact CB-CE2 3.78Å; R67-F110 HydrophobicContact CB-CZ 4.5Å; R67-D278 IonicContact CZ-OD2 3.93Å; R67-D278 IonicContact NH1-OD2 3.16Å; R67-D278 PolarHBondContact NH1-OD2 2.96Å; R67-D278 IonicContact NH2-OD2 3.81Å; R67-D278 PolarHBondContact NH2-OD2 3.45Å
68	F	91.1	Very high	89.4	Confident	14 Å²	14	39.6 Å²	39.6	6%	0.061	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	147	164.7	-73.5	-84.5	0	0	0	111.4	D25 G27 V32 V34 V75 L89 F110	D25-F68 HydrophobicContact CB-CD2 4.28Å; D25-F68 PolarHBondContact OD2-N 3.36Å; G27-F68 VanDerWaalsContact N-CD2 3.33Å; V32-F68 HydrophobicContact CB-CZ 4.12Å; V32-F68 HydrophobicContact CG1-CE1 4.4Å; V32-F68 HydrophobicContact CG1-CZ 3.82Å; V34-F68 HydrophobicContact CB-CD2 4.49Å; V34-F68 HydrophobicContact CB-CE2 3.65Å; V34-F68 HydrophobicContact CB-CZ 3.76Å; V34-F68 HydrophobicContact CG1-CD2 3.8Å; V34-F68 HydrophobicContact CG1-CE2 3.39Å; V34-F68 HydrophobicContact CG1-CZ 3.98Å; F68-V75 HydrophobicContact CD1-CG2 3.64Å; F68-V75 HydrophobicContact CE1-CG2 3.58Å; F68-V75 HydrophobicContact CG-CG2 4.34Å; F68-V75 HydrophobicContact CZ-CG2 4.24Å; F68-L89 HydrophobicContact CE1-CD1 4.18Å; F68-F110 WeakPolarHBondContact O-CD2 3.22Å; F68-F110 WeakPolarHBondContact O-CE2 3.33Å
69	A	86.3	Confident	89.8	Confident	16 Å²	16	38 Å²	38	13%	0.132	18%	0.177	C	C	.	.			trans	-85.2	157.7	163.8	0	0	0	0	0	111.4	K71 D72 F74 Y76 F110	A69-K71 PolarHBondContact O-N 3.04Å; A69-D72 PolarHBondContact O-N 3.49Å; A69-D72 VanDerWaalsContact O-N 3.08Å; A69-F74 HydrophobicContact CB-CB 4.29Å; A69-F74 PolarHBondContact N-O 3.31Å; A69-Y76 HydrophobicContact CB-CE2 4.2Å; A69-F110 HydrophobicContact CB-CD1 4.13Å; A69-F110 HydrophobicContact CB-CE1 3.84Å; A69-F110 HydrophobicContact CB-CZ 4.11Å
70	Y	73.3	Confident	89.9	Confident	107 Å²	107	40.2 Å²	40.2	42%	0.42	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	16.9	-179.5	-71.2	-68.9	0	0	0	118.4	F110 N111	Y70-F110 HydrophobicContact CD2-CB 3.7Å; Y70-F110 HydrophobicContact CE2-CB 3.49Å; Y70-F110 VanDerWaalsContact CE2-CB 3.49Å; Y70-F110 WeakPolarHBondContact CE2-O 3.36Å; Y70-N111 WeakPolarHBondContact CD2-O 3.47Å; Y70-N111 VanDerWaalsContact CE2-O 3.31Å; Y70-N111 WeakPolarHBondContact CE2-O 3.31Å
71	K	72.6	Confident	90	Very high	148 Å²	148	38.8 Å²	38.8	64%	0.643	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-137	10	177.6	-63.9	-179.6	180	158.7	0	112.3	A69 N73	A69-K71 PolarHBondContact O-N 3.04Å; K71-N73 PolarHBondContact O-N 3.1Å; K71-N73 PolarHBondContact O-ND2 2.89Å
72	D	73.9	Confident	89.9	Confident	27 Å²	27	33 Å²	33	14%	0.144	16%	0.159	C	C	.	.	S	Bend	trans	50.6	-7.5	-172.6	-77.8	-2.3	0	0	0	116.4	G27 E28 T29 A69 L89	G27-D72 VanDerWaalsContact CA-OD1 3.31Å; G27-D72 WeakPolarHBondContact CA-OD1 3.46Å; E28-D72 PolarHBondContact N-OD1 3.47Å; E28-D72 PolarHBondContact N-OD2 3.23Å; T29-D72 WeakPolarHBondContact CB-OD2 3.41Å; T29-D72 VanDerWaalsContact CG2-OD2 3.28Å; T29-D72 WeakPolarHBondContact CG2-OD2 3.49Å; T29-D72 PolarHBondContact N-OD2 3.43Å; T29-D72 VanDerWaalsContact N-OD2 3.09Å; T29-D72 PolarHBondContact OG1-OD2 3.38Å; A69-D72 PolarHBondContact O-N 3.49Å; A69-D72 VanDerWaalsContact O-N 3.08Å; D72-L89 WeakPolarHBondContact O-CD1 3.28Å
73	N	85.2	Confident	90	Very high	76 Å²	76	33.6 Å²	33.6	41%	0.406	16%	0.16	S	C	.	.	S	Bend	trans	-75.6	-23.8	-177.1	-69.8	-39.4	0	0	0	114.9	K71 L89	K71-N73 PolarHBondContact O-N 3.1Å; K71-N73 PolarHBondContact O-ND2 2.89Å; N73-L89 PolarHBondContact O-N 3.36Å
74	F	89.6	Confident	90.1	Very high	46 Å²	46	33.6 Å²	33.6	20%	0.202	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	135.1	-177	-67.2	-82.4	0	0	0	110.8	A69 Y76 R86 W87 D88 Y95	A69-F74 HydrophobicContact CB-CB 4.29Å; A69-F74 PolarHBondContact N-O 3.31Å; F74-Y76 HydrophobicContact CB-CE2 4.11Å; F74-R86 HydrophobicContact CD1-CG 3.81Å; F74-R86 VanDerWaalsContact CD1-NE 3.28Å; F74-R86 HydrophobicContact CE1-CG 4.44Å; F74-R86 VanDerWaalsContact CE1-NE 3.33Å; F74-R86 HydrophobicContact CG-CG 4.48Å; F74-R86 VanDerWaalsContact CZ-NH2 3.3Å; F74-W87 VanDerWaalsContact CA-O 3.28Å; F74-W87 WeakPolarHBondContact CA-O 3.37Å; F74-W87 WeakPolarHBondContact CD1-O 3.19Å; F74-D88 HydrophobicContact CD1-CB 4.11Å; F74-D88 HydrophobicContact CE1-CB 3.83Å; F74-Y95 HydrophobicContact CE1-CD1 4.37Å; F74-Y95 HydrophobicContact CE1-CD2 4.04Å; F74-Y95 AromaticContact CE1-CG 3.95Å; F74-Y95 HydrophobicContact CE1-CG 3.95Å
75	V	93.1	Very high	90.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	136.9	168.8	164.6	0	0	0	0	108.5	V34 V42 L44 V66 F68 W87 L89	V34-V75 HydrophobicContact CG2-CG1 4.11Å; V34-V75 HydrophobicContact CG2-CG2 4.43Å; V42-V75 HydrophobicContact CG1-CG1 4.12Å; L44-V75 HydrophobicContact CD2-CG2 4.42Å; V66-V75 HydrophobicContact CG1-CG1 3.65Å; F68-V75 HydrophobicContact CD1-CG2 3.64Å; F68-V75 HydrophobicContact CE1-CG2 3.58Å; F68-V75 HydrophobicContact CG-CG2 4.34Å; F68-V75 HydrophobicContact CZ-CG2 4.24Å; V75-W87 PolarHBondContact N-O 3.02Å; V75-W87 VanDerWaalsContact N-O 3.07Å; V75-W87 PolarHBondContact O-N 2.97Å; V75-L89 HydrophobicContact CB-CD2 4.27Å; V75-L89 HydrophobicContact CG2-CD1 4.14Å; V75-L89 HydrophobicContact CG2-CD2 3.94Å; V75-L89 HydrophobicContact CG2-CG 4.37Å
76	Y	94.4	Very high	90.1	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.016	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	142.1	170.4	-71.6	-111.2	0	0	0	109.1	V66 R67 A69 F74 I84 R85 R86 L98 F110 V117 V131	V66-Y76 CarbonylContact C-O 3.51Å; V66-Y76 VanDerWaalsContact CA-O 3.31Å; V66-Y76 WeakPolarHBondContact CA-O 3.45Å; V66-Y76 WeakPolarHBondContact CG1-O 3.38Å; R67-Y76 PolarHBondContact N-O 2.96Å; R67-Y76 PolarHBondContact O-N 3.39Å; A69-Y76 HydrophobicContact CB-CE2 4.2Å; F74-Y76 HydrophobicContact CB-CE2 4.11Å; Y76-I84 HydrophobicContact CD1-CG2 4.23Å; Y76-R85 WeakPolarHBondContact CA-O 3.39Å; Y76-R86 HydrophobicContact CD1-CB 4.03Å; Y76-R86 HydrophobicContact CD1-CG 4.45Å; Y76-R86 HydrophobicContact CD2-CG 4.42Å; Y76-R86 HydrophobicContact CE1-CB 3.72Å; Y76-R86 HydrophobicContact CE1-CG 3.89Å; Y76-R86 HydrophobicContact CE2-CB 4.47Å; Y76-R86 HydrophobicContact CE2-CG 3.87Å; Y76-R86 VanDerWaalsContact OH-CD 3.28Å; Y76-R86 WeakPolarHBondContact OH-CD 3.47Å; Y76-R86 PolarHBondContact OH-NE 3.31Å; Y76-L98 HydrophobicContact CE1-CD1 4.38Å; Y76-F110 AromaticContact CD2-CE1 3.53Å; Y76-F110 HydrophobicContact CD2-CE1 3.53Å; Y76-F110 AromaticContact CD2-CZ 3.39Å; Y76-F110 HydrophobicContact CD2-CZ 3.39Å; Y76-F110 AromaticContact CE2-CE1 3.5Å; Y76-F110 HydrophobicContact CE2-CE1 3.5Å; Y76-F110 AromaticContact CE2-CZ 3.9Å; Y76-F110 HydrophobicContact CE2-CZ 3.9Å; Y76-F110 HydrophobicContact CG-CE1 4.05Å; Y76-F110 AromaticContact CG-CZ 3.78Å; Y76-F110 HydrophobicContact CG-CZ 3.78Å; Y76-V117 HydrophobicContact CE1-CG2 3.93Å; Y76-V131 HydrophobicContact CE1-CG1 4.16Å; Y76-V131 WeakPolarHBondContact OH-CB 3.27Å
77	S	95.7	Very high	90	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	141.9	-178.9	58.3	0	0	0	0	109.9	H59 C65 I84 R85 W87	H59-S77 PolarHBondContact NE2-OG 3.49Å; C65-S77 CarbonylContact O-C 3.59Å; C65-S77 VanDerWaalsContact O-CA 3.3Å; C65-S77 WeakPolarHBondContact O-CA 3.31Å; S77-I84 CarbonylContact O-C 3.59Å; S77-I84 WeakPolarHBondContact O-CA 3.42Å; S77-R85 PolarHBondContact N-O 3.27Å; S77-R85 PolarHBondContact O-N 2.75Å; S77-R85 PolarHBondContact OG-O 3.22Å; S77-W87 PolarHBondContact OG-NE1 3.48Å
78	A	95.9	Very high	89.9	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	141.5	-174.4	0	0	0	0	0	111.9	I63 D64 C65 I83 I84 V105 L108	I63-A78 CarbonylContact C-O 3.44Å; I63-A78 WeakPolarHBondContact CA-O 3.28Å; D64-A78 PolarHBondContact N-O 3.26Å; C65-A78 HydrophobicContact CB-CB 4.41Å; C65-A78 PolarHBondContact N-O 2.93Å; C65-A78 PolarHBondContact O-N 3.25Å; A78-I83 WeakPolarHBondContact CA-O 3.49Å; A78-I84 HydrophobicContact CB-CB 4.42Å; A78-I84 HydrophobicContact CB-CG1 3.88Å; A78-I84 HydrophobicContact CB-CG2 4.41Å; A78-V105 HydrophobicContact CB-CB 3.68Å; A78-V105 HydrophobicContact CB-CG1 3.6Å; A78-L108 HydrophobicContact CB-CD1 4.25Å
79	D	94.8	Very high	89.7	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	171.2	-174.5	75.4	5.8	0	0	0	114.8	H59 R61 S62 I81 G82 I83 S104	H59-D79 IonicContact ND1-OD2 3.73Å; R61-D79 HydrophobicContact CB-CB 3.95Å; S62-D79 CarbonylContact O-C 3.55Å; S62-D79 WeakPolarHBondContact O-CA 3.39Å; S62-D79 WeakPolarHBondContact O-CB 3.49Å; D79-I81 PolarHBondContact O-N 2.82Å; D79-I81 VanDerWaalsContact O-N 3.14Å; D79-I81 WeakPolarHBondContact OD1-CG1 3.28Å; D79-I81 PolarHBondContact OD1-N 3.39Å; D79-I81 WeakPolarHBondContact OD2-CG1 3.31Å; D79-G82 PolarHBondContact O-N 3.4Å; D79-G82 PolarHBondContact OD1-N 3.15Å; D79-I83 PolarHBondContact N-O 3.46Å; D79-I83 VanDerWaalsContact N-O 3.11Å; D79-I83 WeakPolarHBondContact OD1-CB 3.4Å; D79-I83 PolarHBondContact OD1-N 2.97Å; D79-S104 WeakPolarHBondContact O-CA 3.29Å
80	D	93.5	Very high	89.8	Confident	55 Å²	55	37.7 Å²	37.7	29%	0.294	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-12.1	-176.8	68.3	47.2	0	0	0	115.3	R61 S62 S104	R61-D80 WeakPolarHBondContact CB-OD1 3.44Å; R61-D80 WeakPolarHBondContact CB-OD2 3.43Å; R61-D80 WeakPolarHBondContact CD-OD1 3.42Å; R61-D80 WeakPolarHBondContact CD-OD2 3.37Å; R61-D80 VanDerWaalsContact CG-OD1 3.23Å; R61-D80 WeakPolarHBondContact CG-OD1 3.46Å; R61-D80 IonicContact NE-OD1 3.81Å; S62-D80 WeakPolarHBondContact CB-OD2 3.42Å; S62-D80 PolarHBondContact N-OD2 3.35Å; S62-D80 PolarHBondContact O-N 3.47Å; D80-S104 WeakPolarHBondContact O-CA 3.45Å; D80-S104 PolarHBondContact O-N 2.89Å
81	I	93.7	Very high	90.3	Very high	71 Å²	71	35.4 Å²	35.4	36%	0.364	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-8.4	173.4	53.4	176.7	0	0	0	113.4	R61 D79 I83 M102 K103	R61-I81 HydrophobicContact CG-CD1 4.01Å; R61-I81 HydrophobicContact CG-CG1 4.08Å; R61-I81 HydrophobicContact CG-CG2 4.23Å; D79-I81 PolarHBondContact O-N 2.82Å; D79-I81 VanDerWaalsContact O-N 3.14Å; D79-I81 WeakPolarHBondContact OD1-CG1 3.28Å; D79-I81 PolarHBondContact OD1-N 3.39Å; D79-I81 WeakPolarHBondContact OD2-CG1 3.31Å; I81-I83 HydrophobicContact CD1-CD1 3.71Å; I81-I83 HydrophobicContact CD1-CG1 4.21Å; I81-I83 HydrophobicContact CG1-CD1 4.2Å; I81-I83 HydrophobicContact CG1-CG1 4.17Å; I81-M102 CarbonylContact O-C 3.52Å; I81-K103 PolarHBondContact O-N 3.05Å
82	G	92.5	Very high	90.8	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.01	18%	0.176	C	C	.	.	S	Bend	trans	97.3	17.3	174.8	0	0	0	0	0	115.2	D79 K103	D79-G82 PolarHBondContact O-N 3.4Å; D79-G82 PolarHBondContact OD1-N 3.15Å; G82-K103 WeakPolarHBondContact CA-O 3.49Å
83	I	94.9	Very high	91.4	Very high	36 Å²	36	39.7 Å²	39.7	19%	0.185	20%	0.199	C	C	.	.			trans	-82.7	122.2	170.7	-59.8	177.4	0	0	0	108.6	A78 D79 I81 R85 T97	A78-I83 WeakPolarHBondContact CA-O 3.49Å; D79-I83 PolarHBondContact N-O 3.46Å; D79-I83 VanDerWaalsContact N-O 3.11Å; D79-I83 WeakPolarHBondContact OD1-CB 3.4Å; D79-I83 PolarHBondContact OD1-N 2.97Å; I81-I83 HydrophobicContact CD1-CD1 3.71Å; I81-I83 HydrophobicContact CD1-CG1 4.21Å; I81-I83 HydrophobicContact CG1-CD1 4.2Å; I81-I83 HydrophobicContact CG1-CG1 4.17Å; I83-R85 HydrophobicContact CG2-CG 4.24Å; I83-T97 HydrophobicContact CG2-CG2 3.32Å
84	I	95.9	Very high	91.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	124.9	174.1	-49.7	157.2	0	0	0	108.3	Y76 S77 A78 T97 L98 V105 L108 W129	Y76-I84 HydrophobicContact CD1-CG2 4.23Å; S77-I84 CarbonylContact O-C 3.59Å; S77-I84 WeakPolarHBondContact O-CA 3.42Å; A78-I84 HydrophobicContact CB-CB 4.42Å; A78-I84 HydrophobicContact CB-CG1 3.88Å; A78-I84 HydrophobicContact CB-CG2 4.41Å; I84-T97 CarbonylContact O-C 2.95Å; I84-T97 WeakPolarHBondContact O-CA 3.26Å; I84-L98 HydrophobicContact CB-CB 4.1Å; I84-L98 HydrophobicContact CB-CD1 4.19Å; I84-L98 HydrophobicContact CB-CG 4.36Å; I84-L98 HydrophobicContact CD1-CB 4.49Å; I84-L98 HydrophobicContact CD1-CD1 4.31Å; I84-L98 HydrophobicContact CG2-CD1 4.15Å; I84-L98 PolarHBondContact N-O 3.49Å; I84-L98 PolarHBondContact O-N 3.41Å; I84-V105 HydrophobicContact CD1-CG1 4.26Å; I84-V105 HydrophobicContact CD1-CG2 4.41Å; I84-V105 HydrophobicContact CG1-CB 4.48Å; I84-V105 HydrophobicContact CG1-CG1 4.18Å; I84-V105 HydrophobicContact CG1-CG2 4.33Å; I84-L108 HydrophobicContact CD1-CD2 3.98Å; I84-L108 HydrophobicContact CG1-CD2 4.4Å; I84-L108 HydrophobicContact CG2-CD1 4.1Å; I84-L108 HydrophobicContact CG2-CD2 4.22Å; I84-W129 HydrophobicContact CD1-CZ2 4.09Å
85	R	94.4	Very high	91.4	Very high	25 Å²	25	43.6 Å²	43.6	9%	0.094	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.5	175.8	-65.8	-177	-162.9	-156	8.1	111.2	G58 H59 Y76 S77 I83 W87 I94 T97	G58-R85 PolarHBondContact O-NH1 3.46Å; G58-R85 PolarHBondContact O-NH2 3Å; H59-R85 VanDerWaalsContact CE1-CD 3.45Å; H59-R85 WeakPolarHBondContact CE1-CD 3.46Å; H59-R85 PolarHBondContact CE1-NE 3.08Å; H59-R85 PolarHBondContact ND1-NE 3.16Å; H59-R85 VanDerWaalsContact ND1-NE 3.11Å; Y76-R85 WeakPolarHBondContact CA-O 3.39Å; S77-R85 PolarHBondContact N-O 3.27Å; S77-R85 PolarHBondContact O-N 2.75Å; S77-R85 PolarHBondContact OG-O 3.22Å; I83-R85 HydrophobicContact CG2-CG 4.24Å; R85-W87 HydrophobicContact CB-CZ2 4.39Å; R85-I94 VanDerWaalsContact NH1-CD1 3.3Å; R85-T97 HydrophobicContact CG-CG2 4.17Å
86	R	93.4	Very high	91.3	Very high	23 Å²	23	44.3 Å²	44.3	9%	0.087	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	121.3	169.3	178.4	-175.5	178.9	172.1	3	108.8	F74 Y76 Y95 S96 V131 N135	F74-R86 HydrophobicContact CD1-CG 3.81Å; F74-R86 VanDerWaalsContact CD1-NE 3.28Å; F74-R86 HydrophobicContact CE1-CG 4.44Å; F74-R86 VanDerWaalsContact CE1-NE 3.33Å; F74-R86 HydrophobicContact CG-CG 4.48Å; F74-R86 VanDerWaalsContact CZ-NH2 3.3Å; Y76-R86 HydrophobicContact CD1-CB 4.03Å; Y76-R86 HydrophobicContact CD1-CG 4.45Å; Y76-R86 HydrophobicContact CD2-CG 4.42Å; Y76-R86 HydrophobicContact CE1-CB 3.72Å; Y76-R86 HydrophobicContact CE1-CG 3.89Å; Y76-R86 HydrophobicContact CE2-CB 4.47Å; Y76-R86 HydrophobicContact CE2-CG 3.87Å; Y76-R86 VanDerWaalsContact OH-CD 3.28Å; Y76-R86 WeakPolarHBondContact OH-CD 3.47Å; Y76-R86 PolarHBondContact OH-NE 3.31Å; R86-Y95 PolarHBondContact O-N 2.98Å; R86-S96 WeakPolarHBondContact CD-OG 3.31Å; R86-S96 PolarHBondContact N-O 2.74Å; R86-S96 PolarHBondContact O-N 3.14Å; R86-V131 PolarHBondContact NH1-O 2.83Å; R86-N135 PolarHBondContact NH1-OD1 3.28Å
87	W	92.6	Very high	91.2	Very high	6 Å²	6	46.7 Å²	46.7	2%	0.023	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134	176.5	-52.1	88.9	0	0	0	109.5	L56 T57 F74 V75 S77 R85 K93 I94	L56-W87 HydrophobicContact CB-CD2 3.92Å; L56-W87 HydrophobicContact CB-CE3 3.81Å; L56-W87 HydrophobicContact CB-CH2 4.2Å; L56-W87 HydrophobicContact CB-CZ2 4.3Å; L56-W87 HydrophobicContact CB-CZ3 3.94Å; L56-W87 HydrophobicContact CD1-CB 3.75Å; L56-W87 HydrophobicContact CD1-CD2 4.03Å; L56-W87 HydrophobicContact CD1-CE3 4.38Å; L56-W87 HydrophobicContact CD1-CG 3.75Å; L56-W87 HydrophobicContact CD2-CD2 4.37Å; L56-W87 HydrophobicContact CD2-CE3 3.89Å; L56-W87 HydrophobicContact CD2-CZ3 4.48Å; L56-W87 HydrophobicContact CG-CD2 4.34Å; L56-W87 HydrophobicContact CG-CE3 4.25Å; T57-W87 WeakPolarHBondContact O-CH2 3.37Å; F74-W87 VanDerWaalsContact CA-O 3.28Å; F74-W87 WeakPolarHBondContact CA-O 3.37Å; F74-W87 WeakPolarHBondContact CD1-O 3.19Å; V75-W87 PolarHBondContact N-O 3.02Å; V75-W87 VanDerWaalsContact N-O 3.07Å; V75-W87 PolarHBondContact O-N 2.97Å; S77-W87 PolarHBondContact OG-NE1 3.48Å; R85-W87 HydrophobicContact CB-CZ2 4.39Å; W87-K93 WeakPolarHBondContact CA-O 3.43Å; W87-I94 HydrophobicContact CD2-CG1 4.3Å; W87-I94 HydrophobicContact CE3-CB 4.44Å; W87-I94 HydrophobicContact CE3-CG1 3.66Å; W87-I94 HydrophobicContact CH2-CD1 4.14Å; W87-I94 HydrophobicContact CH2-CG1 3.65Å; W87-I94 HydrophobicContact CZ2-CG1 4.26Å; W87-I94 HydrophobicContact CZ3-CB 4.49Å; W87-I94 HydrophobicContact CZ3-CD1 4.19Å; W87-I94 HydrophobicContact CZ3-CG1 3.31Å
88	D	90.4	Very high	91.1	Very high	21 Å²	21	46.8 Å²	46.8	11%	0.112	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	122.3	166.7	165.3	39.1	0	0	0	109.1	F74 N90 S91 Q92 K93	F74-D88 HydrophobicContact CD1-CB 4.11Å; F74-D88 HydrophobicContact CE1-CB 3.83Å; D88-N90 VanDerWaalsContact C-N 3.25Å; D88-N90 PolarHBondContact O-N 3.31Å; D88-N90 WeakPolarHBondContact OD1-CB 3.21Å; D88-N90 PolarHBondContact OD1-N 3.44Å; D88-N90 PolarHBondContact OD1-ND2 2.9Å; D88-S91 WeakPolarHBondContact OD2-CB 3.32Å; D88-S91 PolarHBondContact OD2-N 2.89Å; D88-S91 PolarHBondContact OD2-OG 3.24Å; D88-Q92 WeakPolarHBondContact O-CA 3.41Å; D88-Q92 PolarHBondContact O-N 3.44Å; D88-K93 PolarHBondContact N-O 2.91Å; D88-K93 PolarHBondContact O-N 2.9Å
89	L	87.8	Confident	90.9	Very high	30 Å²	30	51.7 Å²	51.7	16%	0.157	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-17.9	-178.8	-56	-169.7	0	0	0	112.7	L44 M54 L56 F68 D72 N73 V75	L44-L89 HydrophobicContact CD1-CD2 4.45Å; L44-L89 HydrophobicContact CD2-CD1 3.57Å; L44-L89 HydrophobicContact CD2-CD2 3.65Å; L44-L89 HydrophobicContact CD2-CG 4.26Å; M54-L89 HydrophobicContact SD-CD2 4.05Å; L56-L89 HydrophobicContact CD1-CD2 4.04Å; F68-L89 HydrophobicContact CE1-CD1 4.18Å; D72-L89 WeakPolarHBondContact O-CD1 3.28Å; N73-L89 PolarHBondContact O-N 3.36Å; V75-L89 HydrophobicContact CB-CD2 4.27Å; V75-L89 HydrophobicContact CG2-CD1 4.14Å; V75-L89 HydrophobicContact CG2-CD2 3.94Å; V75-L89 HydrophobicContact CG2-CG 4.37Å
90	N	87.4	Confident	90.7	Very high	116 Å²	116	53.2 Å²	53.2	62%	0.62	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-45.9	178.7	-58	-86.6	0	0	0	111.3	D88	D88-N90 VanDerWaalsContact C-N 3.25Å; D88-N90 PolarHBondContact O-N 3.31Å; D88-N90 WeakPolarHBondContact OD1-CB 3.21Å; D88-N90 PolarHBondContact OD1-N 3.44Å; D88-N90 PolarHBondContact OD1-ND2 2.9Å
91	S	84.1	Confident	90.8	Very high	59 Å²	59	51.2 Å²	51.2	41%	0.413	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-6.3	176.5	64.6	0	0	0	0	114.7	D88 K93	D88-S91 WeakPolarHBondContact OD2-CB 3.32Å; D88-S91 PolarHBondContact OD2-N 2.89Å; D88-S91 PolarHBondContact OD2-OG 3.24Å; S91-K93 VanDerWaalsContact C-N 3.28Å; S91-K93 WeakPolarHBondContact O-CG 3.43Å; S91-K93 PolarHBondContact O-N 2.87Å
92	Q	83.3	Confident	90.9	Very high	122 Å²	122	55.4 Å²	55.4	57%	0.57	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	36.6	178.8	-52	-174.3	-3.6	0	0	113.3	M54 D88	M54-Q92 HydrophobicContact CE-CG 3.75Å; M54-Q92 HydrophobicContact SD-CB 4.45Å; M54-Q92 HydrophobicContact SD-CG 4.09Å; D88-Q92 WeakPolarHBondContact O-CA 3.41Å; D88-Q92 PolarHBondContact O-N 3.44Å
93	K	86.4	Confident	91	Very high	142 Å²	142	60.5 Å²	60.5	62%	0.617	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139	160.6	-170.1	-77.1	170.8	-174.2	176.1	0	112.2	W87 D88 S91 Y95	W87-K93 WeakPolarHBondContact CA-O 3.43Å; D88-K93 PolarHBondContact N-O 2.91Å; D88-K93 PolarHBondContact O-N 2.9Å; S91-K93 VanDerWaalsContact C-N 3.28Å; S91-K93 WeakPolarHBondContact O-CG 3.43Å; S91-K93 PolarHBondContact O-N 2.87Å; K93-Y95 PolarHBondContact O-N 3.31Å
94	I	88	Confident	91	Very high	69 Å²	69	59.1 Å²	59.1	35%	0.354	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	117.2	165	-52	166.3	0	0	0	106.9	R85 W87	R85-I94 VanDerWaalsContact NH1-CD1 3.3Å; W87-I94 HydrophobicContact CD2-CG1 4.3Å; W87-I94 HydrophobicContact CE3-CB 4.44Å; W87-I94 HydrophobicContact CE3-CG1 3.66Å; W87-I94 HydrophobicContact CH2-CD1 4.14Å; W87-I94 HydrophobicContact CH2-CG1 3.65Å; W87-I94 HydrophobicContact CZ2-CG1 4.26Å; W87-I94 HydrophobicContact CZ3-CB 4.49Å; W87-I94 HydrophobicContact CZ3-CD1 4.19Å; W87-I94 HydrophobicContact CZ3-CG1 3.31Å
95	Y	88.1	Confident	91.1	Very high	135 Å²	135	59.1 Å²	59.1	53%	0.529	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-44.4	173.8	179.7	-85.7	0	0	0	110.3	F74 R86 K93	F74-Y95 HydrophobicContact CE1-CD1 4.37Å; F74-Y95 HydrophobicContact CE1-CD2 4.04Å; F74-Y95 AromaticContact CE1-CG 3.95Å; F74-Y95 HydrophobicContact CE1-CG 3.95Å; R86-Y95 PolarHBondContact O-N 2.98Å; K93-Y95 PolarHBondContact O-N 3.31Å
96	S	90.2	Very high	91	Very high	16 Å²	16	62.7 Å²	62.7	11%	0.112	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	164.6	176	63	0	0	0	0	112	R86 N135	R86-S96 WeakPolarHBondContact CD-OG 3.31Å; R86-S96 PolarHBondContact N-O 2.74Å; R86-S96 PolarHBondContact O-N 3.14Å; S96-N135 VanDerWaalsContact CB-OD1 3.29Å; S96-N135 WeakPolarHBondContact CB-OD1 3.5Å; S96-N135 PolarHBondContact OG-OD1 2.65Å
97	T	92.4	Very high	91.1	Very high	54 Å²	54	62.4 Å²	62.4	33%	0.331	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	122.8	178.7	-56.7	0	0	0	0	108.8	I83 I84 R85 N99	I83-T97 HydrophobicContact CG2-CG2 3.32Å; I84-T97 CarbonylContact O-C 2.95Å; I84-T97 WeakPolarHBondContact O-CA 3.26Å; R85-T97 HydrophobicContact CG-CG2 4.17Å; T97-N99 WeakPolarHBondContact CG2-OD1 3.41Å
98	L	93.3	Very high	91.2	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	115.1	174.4	-40.9	175.2	0	0	0	107.9	Y76 I84 W129 V131 N135	Y76-L98 HydrophobicContact CE1-CD1 4.38Å; I84-L98 HydrophobicContact CB-CB 4.1Å; I84-L98 HydrophobicContact CB-CD1 4.19Å; I84-L98 HydrophobicContact CB-CG 4.36Å; I84-L98 HydrophobicContact CD1-CB 4.49Å; I84-L98 HydrophobicContact CD1-CD1 4.31Å; I84-L98 HydrophobicContact CG2-CD1 4.15Å; I84-L98 PolarHBondContact N-O 3.49Å; I84-L98 PolarHBondContact O-N 3.41Å; L98-W129 HydrophobicContact CB-CD2 4.03Å; L98-W129 HydrophobicContact CB-CE3 3.7Å; L98-W129 HydrophobicContact CB-CH2 4.05Å; L98-W129 HydrophobicContact CB-CZ2 4.36Å; L98-W129 HydrophobicContact CB-CZ3 3.71Å; L98-W129 HydrophobicContact CD1-CB 4.11Å; L98-W129 HydrophobicContact CD1-CD2 3.94Å; L98-W129 HydrophobicContact CD1-CE3 4.32Å; L98-W129 HydrophobicContact CD1-CG 3.84Å; L98-W129 HydrophobicContact CD2-CE3 4.24Å; L98-W129 HydrophobicContact CG-CD2 4.42Å; L98-W129 HydrophobicContact CG-CE3 4.31Å; L98-V131 HydrophobicContact CD1-CG1 4.44Å; L98-V131 HydrophobicContact CD2-CG1 4.4Å; L98-N135 HydrophobicContact CD2-CB 3.72Å; L98-N135 VanDerWaalsContact CD2-O 3.31Å; L98-N135 WeakPolarHBondContact CD2-O 3.17Å
99	N	92.2	Very high	91.4	Very high	104 Å²	104	62 Å²	62	56%	0.556	31%	0.311	S	S	*	.			trans	-110.7	139.5	178.7	-66.7	-45.1	0	0	0	109.7	T97 W129	T97-N99 WeakPolarHBondContact CG2-OD1 3.41Å; N99-W129 WeakPolarHBondContact O-CH2 3.33Å; N99-W129 WeakPolarHBondContact O-CZ3 3.18Å
100	G	90.3	Very high	91.7	Very high	32 Å²	32	61.2 Å²	61.2	33%	0.33	31%	0.307	S	S	.	.			trans	155.8	-25.5	168.4	0	0	0	0	0	115.7	R127	G100-R127 VanDerWaalsContact C-CZ 3.42Å; G100-R127 PolarHBondContact O-NH1 3.21Å; G100-R127 PolarHBondContact O-NH2 2.86Å
101	H	95.3	Very high	91.8	Very high	13 Å²	13	56.3 Å²	56.3	6%	0.06	28%	0.28	C	S	.	.			trans	-65.2	151.6	166.5	-82	-66.5	0	0	0	110.4	V105 S119 S121 D123 T125	H101-V105 HydrophobicContact CB-CG2 3.84Å; H101-V105 WeakPolarHBondContact CD2-CG2 3.33Å; H101-S119 PolarHBondContact CD2-OG 3.38Å; H101-S119 PolarHBondContact NE2-OG 3.21Å; H101-S121 VanDerWaalsContact CE1-CB 3.41Å; H101-S121 WeakPolarHBondContact CE1-CB 3.32Å; H101-S121 WeakPolarHBondContact ND1-CB 3.48Å; H101-D123 VanDerWaalsContact CA-OD2 3.24Å; H101-D123 WeakPolarHBondContact CA-OD2 3.35Å; H101-D123 WeakPolarHBondContact CB-OD2 3.34Å; H101-D123 IonicContact CE1-OD1 3.98Å; H101-D123 IonicContact CG-OD2 3.54Å; H101-D123 VanDerWaalsContact ND1-CG 3.33Å; H101-D123 IonicContact ND1-OD1 3.14Å; H101-D123 PolarHBondContact ND1-OD1 3.22Å; H101-D123 VanDerWaalsContact ND1-OD1 3.14Å; H101-D123 IonicContact ND1-OD2 2.87Å; H101-D123 PolarHBondContact ND1-OD2 3.45Å; H101-T125 PolarHBondContact CE1-O 3.03Å; H101-T125 PolarHBondContact CE1-OG1 2.98Å; H101-T125 VanDerWaalsContact CE1-OG1 3.24Å; H101-T125 PolarHBondContact ND1-OG1 3.02Å
102	M	95.3	Very high	92	Very high	159 Å²	159	56.1 Å²	56.1	78%	0.783	28%	0.278	S	S	*	.	S	Bend	trans	-107.7	-1.9	-175.6	-59.8	-176.7	72	0	0	113.3	I81 D123	I81-M102 CarbonylContact O-C 3.52Å; M102-D123 HydrophobicContact CB-CB 4.28Å; M102-D123 PolarHBondContact N-OD2 3.27Å
103	K	95.9	Very high	92	Very high	108 Å²	108	52.7 Å²	52.7	47%	0.47	27%	0.267	S	S	.	.	S	Bend	trans	-153.7	162.8	177.9	-59.2	-177.5	-174.1	170.8	0	109.8	I81 G82 V105 S121 N122 D123	I81-K103 PolarHBondContact O-N 3.05Å; G82-K103 WeakPolarHBondContact CA-O 3.49Å; K103-V105 PolarHBondContact O-N 3.13Å; K103-S121 PolarHBondContact O-OG 3Å; K103-N122 HydrophobicContact CB-CB 4.01Å; K103-N122 HydrophobicContact CD-CB 4.22Å; K103-N122 WeakPolarHBondContact CD-O 3.38Å; K103-D123 HydrophobicContact CB-CB 4.17Å; K103-D123 HydrophobicContact CD-CB 4.45Å; K103-D123 HydrophobicContact CG-CB 4.19Å
104	S	95.1	Very high	91.8	Very high	7 Å²	7	47.6 Å²	47.6	5%	0.049	26%	0.255	C	S	.	.			trans	-14.5	116.6	162.7	170.3	0	0	0	0	114.7	D64 D79 D80 R106 S121 N122	D64-S104 VanDerWaalsContact OD2-CB 3.25Å; D64-S104 WeakPolarHBondContact OD2-CB 3.5Å; D64-S104 PolarHBondContact OD2-OG 2.91Å; D79-S104 WeakPolarHBondContact O-CA 3.29Å; D80-S104 WeakPolarHBondContact O-CA 3.45Å; D80-S104 PolarHBondContact O-N 2.89Å; S104-R106 WeakPolarHBondContact OG-CD 3.46Å; S104-S121 VanDerWaalsContact O-CA 3.29Å; S104-S121 WeakPolarHBondContact O-CA 3.43Å; S104-S121 PolarHBondContact O-OG 3.14Å; S104-N122 WeakPolarHBondContact CB-ND2 3.17Å; S104-N122 PolarHBondContact O-N 2.59Å; S104-N122 PolarHBondContact OG-ND2 3.27Å
105	V	96.6	Very high	91.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	109.1	172.5	163.8	0	0	0	0	108.2	C65 A78 I84 H101 K103 L108 G120	C65-V105 WeakPolarHBondContact CB-O 3.5Å; A78-V105 HydrophobicContact CB-CB 3.68Å; A78-V105 HydrophobicContact CB-CG1 3.6Å; I84-V105 HydrophobicContact CD1-CG1 4.26Å; I84-V105 HydrophobicContact CD1-CG2 4.41Å; I84-V105 HydrophobicContact CG1-CB 4.48Å; I84-V105 HydrophobicContact CG1-CG1 4.18Å; I84-V105 HydrophobicContact CG1-CG2 4.33Å; H101-V105 HydrophobicContact CB-CG2 3.84Å; H101-V105 WeakPolarHBondContact CD2-CG2 3.33Å; K103-V105 PolarHBondContact O-N 3.13Å; V105-L108 HydrophobicContact CG1-CD2 4.02Å; V105-L108 HydrophobicContact CG1-CG 4.25Å; V105-G120 CarbonylContact C-O 3.55Å; V105-G120 WeakPolarHBondContact CA-O 3.36Å
106	R	93.4	Very high	91.9	Very high	100 Å²	100	44.5 Å²	44.5	38%	0.377	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-20.5	-168.2	-61.5	-70.6	-56.1	-55.4	-8.5	113.1	S104 G120 N122 N149	S104-R106 WeakPolarHBondContact OG-CD 3.46Å; R106-G120 PolarHBondContact N-O 3.49Å; R106-N122 WeakPolarHBondContact CG-OD1 3.48Å; R106-N122 PolarHBondContact NH1-OD1 3.25Å; R106-N149 PolarHBondContact NH1-OD1 3.47Å; R106-N149 VanDerWaalsContact NH1-OD1 3.16Å
107	T	94.7	Very high	92.1	Very high	16 Å²	16	43.7 Å²	43.7	10%	0.098	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	136.5	-166.3	178.1	0	0	0	0	110.1	S119 G120 V151	T107-S119 WeakPolarHBondContact O-CA 3.35Å; T107-G120 PolarHBondContact O-N 2.98Å; T107-V151 HydrophobicContact CG2-CB 4.39Å; T107-V151 HydrophobicContact CG2-CG1 4.09Å; T107-V151 HydrophobicContact CG2-CG2 3.87Å; T107-V151 PolarHBondContact OG1-N 2.91Å; T107-V151 VanDerWaalsContact OG1-N 3.09Å
108	L	95.9	Very high	92.3	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	143.5	177.7	-70.8	172.5	0	0	0	108.6	R67 A78 I84 V105 V117 V118	R67-L108 HydrophobicContact CG-CB 4.17Å; A78-L108 HydrophobicContact CB-CD1 4.25Å; I84-L108 HydrophobicContact CD1-CD2 3.98Å; I84-L108 HydrophobicContact CG1-CD2 4.4Å; I84-L108 HydrophobicContact CG2-CD1 4.1Å; I84-L108 HydrophobicContact CG2-CD2 4.22Å; V105-L108 HydrophobicContact CG1-CD2 4.02Å; V105-L108 HydrophobicContact CG1-CG 4.25Å; L108-V117 HydrophobicContact CD2-CG1 4.27Å; L108-V118 WeakPolarHBondContact CA-O 3.28Å
109	D	94.8	Very high	92.4	Very high	18 Å²	18	41.1 Å²	41.1	10%	0.096	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	164.3	171.9	-153.2	59.1	0	0	0	110.8	V118 V151 K152 F153	D109-V118 HydrophobicContact CB-CG1 3.81Å; D109-V118 PolarHBondContact N-O 3.16Å; D109-V118 PolarHBondContact O-N 3.44Å; D109-V151 HydrophobicContact CB-CG2 4.44Å; D109-K152 HydrophobicContact CB-CD 4.25Å; D109-K152 VanDerWaalsContact OD1-CD 3.27Å; D109-K152 WeakPolarHBondContact OD1-CD 3.09Å; D109-K152 IonicContact OD1-NZ 2.68Å; D109-K152 PolarHBondContact OD1-NZ 2.7Å; D109-K152 WeakPolarHBondContact OD2-CA 3.3Å; D109-K152 WeakPolarHBondContact OD2-CD 3.33Å; D109-F153 HydrophobicContact CB-CD2 4.28Å; D109-F153 PolarHBondContact OD2-N 3.45Å
110	F	92.6	Very high	92.7	Very high	13 Å²	13	36.1 Å²	36.1	6%	0.057	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143	-172.3	-65.4	-87.2	0	0	0	111.6	R67 F68 A69 Y70 Y76 V117 F153	R67-F110 HydrophobicContact CB-CE2 3.78Å; R67-F110 HydrophobicContact CB-CZ 4.5Å; F68-F110 WeakPolarHBondContact O-CD2 3.22Å; F68-F110 WeakPolarHBondContact O-CE2 3.33Å; A69-F110 HydrophobicContact CB-CD1 4.13Å; A69-F110 HydrophobicContact CB-CE1 3.84Å; A69-F110 HydrophobicContact CB-CZ 4.11Å; Y70-F110 HydrophobicContact CD2-CB 3.7Å; Y70-F110 HydrophobicContact CE2-CB 3.49Å; Y70-F110 VanDerWaalsContact CE2-CB 3.49Å; Y70-F110 WeakPolarHBondContact CE2-O 3.36Å; Y76-F110 AromaticContact CD2-CE1 3.53Å; Y76-F110 HydrophobicContact CD2-CE1 3.53Å; Y76-F110 AromaticContact CD2-CZ 3.39Å; Y76-F110 HydrophobicContact CD2-CZ 3.39Å; Y76-F110 AromaticContact CE2-CE1 3.5Å; Y76-F110 HydrophobicContact CE2-CE1 3.5Å; Y76-F110 AromaticContact CE2-CZ 3.9Å; Y76-F110 HydrophobicContact CE2-CZ 3.9Å; Y76-F110 HydrophobicContact CG-CE1 4.05Å; Y76-F110 AromaticContact CG-CZ 3.78Å; Y76-F110 HydrophobicContact CG-CZ 3.78Å; F110-V117 HydrophobicContact CD1-CG2 3.69Å; F110-V117 HydrophobicContact CE1-CG1 4.22Å; F110-V117 HydrophobicContact CE1-CG2 3.58Å; F110-F153 WeakPolarHBondContact O-CD2 3.32Å
111	N	90.6	Very high	93	Very high	12 Å²	12	34.6 Å²	34.6	6%	0.064	18%	0.178	C	C	.	.			trans	-66.1	133.2	168.2	174.9	-3.5	0	0	0	108.8	Y70 S113 G114 Y116 F153	Y70-N111 WeakPolarHBondContact CD2-O 3.47Å; Y70-N111 VanDerWaalsContact CE2-O 3.31Å; Y70-N111 WeakPolarHBondContact CE2-O 3.31Å; N111-S113 VanDerWaalsContact CG-OG 3.31Å; N111-S113 PolarHBondContact ND2-OG 3.36Å; N111-S113 PolarHBondContact O-N 3.28Å; N111-S113 PolarHBondContact OD1-N 3.47Å; N111-S113 PolarHBondContact OD1-OG 3.1Å; N111-G114 WeakPolarHBondContact O-CA 3.39Å; N111-G114 PolarHBondContact O-N 2.93Å; N111-Y116 WeakPolarHBondContact CB-O 3.26Å; N111-Y116 PolarHBondContact N-O 3.4Å; N111-Y116 VanDerWaalsContact ND2-CD2 3.29Å; N111-Y116 WeakPolarHBondContact ND2-CD2 3.33Å; N111-F153 HydrophobicContact CB-CD1 4.11Å; N111-F153 HydrophobicContact CB-CE1 3.83Å; N111-F153 HydrophobicContact CB-CE2 4.25Å; N111-F153 HydrophobicContact CB-CG 4.45Å; N111-F153 HydrophobicContact CB-CZ 3.89Å; N111-F153 VanDerWaalsContact N-CD2 3.32Å
112	P	87.2	Confident	93.1	Very high	55 Å²	55	35.4 Å²	35.4	36%	0.357	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-24	171.7	-32.6	36.9	0	0	0	116.8	G114	P112-G114 VanDerWaalsContact C-N 3.34Å
113	S	83.7	Confident	93.1	Very high	51 Å²	51	28.9 Å²	28.9	36%	0.357	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-22.8	171.8	73.1	0	0	0	0	114.1	N111 E115	N111-S113 VanDerWaalsContact CG-OG 3.31Å; N111-S113 PolarHBondContact ND2-OG 3.36Å; N111-S113 PolarHBondContact O-N 3.28Å; N111-S113 PolarHBondContact OD1-N 3.47Å; N111-S113 PolarHBondContact OD1-OG 3.1Å; S113-E115 WeakPolarHBondContact CB-OE2 3.12Å; S113-E115 WeakPolarHBondContact OG-CB 3.19Å; S113-E115 VanDerWaalsContact OG-CD 3.24Å; S113-E115 WeakPolarHBondContact OG-CG 3.36Å; S113-E115 PolarHBondContact OG-N 3.1Å; S113-E115 PolarHBondContact OG-OE2 3.13Å
114	G	82.7	Confident	93.1	Very high	34 Å²	34	26 Å²	26	35%	0.351	14%	0.142	S	C	.	.	S	Bend	trans	83.3	6.4	-173.5	0	0	0	0	0	115	N111 P112	N111-G114 WeakPolarHBondContact O-CA 3.39Å; N111-G114 PolarHBondContact O-N 2.93Å; P112-G114 VanDerWaalsContact C-N 3.34Å
115	E	85.8	Confident	93.1	Very high	74 Å²	74	26.2 Å²	26.2	35%	0.346	14%	0.143	S	C	.	.	S	Bend	trans	-88.7	-30.5	-174.2	-61.4	159.1	150.1	0	0	112.9	S113 V131	S113-E115 WeakPolarHBondContact CB-OE2 3.12Å; S113-E115 WeakPolarHBondContact OG-CB 3.19Å; S113-E115 VanDerWaalsContact OG-CD 3.24Å; S113-E115 WeakPolarHBondContact OG-CG 3.36Å; S113-E115 PolarHBondContact OG-N 3.1Å; S113-E115 PolarHBondContact OG-OE2 3.13Å; E115-V131 WeakPolarHBondContact O-CG2 3.42Å; E115-V131 PolarHBondContact O-N 3.21Å; E115-V131 VanDerWaalsContact O-N 3.15Å
116	Y	91.6	Very high	93.2	Very high	65 Å²	65	26.3 Å²	26.3	26%	0.255	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	147.7	-178.5	-52.3	-47.9	0	0	0	113.2	N111 L128 W129 D130 I138	N111-Y116 WeakPolarHBondContact CB-O 3.26Å; N111-Y116 PolarHBondContact N-O 3.4Å; N111-Y116 VanDerWaalsContact ND2-CD2 3.29Å; N111-Y116 WeakPolarHBondContact ND2-CD2 3.33Å; Y116-L128 HydrophobicContact CG-CD1 4.41Å; Y116-W129 VanDerWaalsContact CA-O 3.3Å; Y116-W129 WeakPolarHBondContact CA-O 3.16Å; Y116-D130 HydrophobicContact CD1-CB 4.32Å; Y116-D130 HydrophobicContact CE1-CB 4.25Å; Y116-I138 HydrophobicContact CD1-CD1 3.85Å; Y116-I138 HydrophobicContact CE1-CD1 3.73Å
117	V	94.4	Very high	93.3	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.6	170.4	-175.8	0	0	0	0	108.5	Y76 L108 F110 W129 V131	Y76-V117 HydrophobicContact CE1-CG2 3.93Å; L108-V117 HydrophobicContact CD2-CG1 4.27Å; F110-V117 HydrophobicContact CD1-CG2 3.69Å; F110-V117 HydrophobicContact CE1-CG1 4.22Å; F110-V117 HydrophobicContact CE1-CG2 3.58Å; V117-W129 HydrophobicContact CB-CB 4.48Å; V117-W129 PolarHBondContact N-O 3.35Å; V117-W129 PolarHBondContact O-N 2.99Å; V117-V131 HydrophobicContact CB-CG1 4.29Å; V117-V131 HydrophobicContact CG2-CB 4.31Å; V117-V131 HydrophobicContact CG2-CG1 3.6Å; V117-V131 HydrophobicContact CG2-CG2 3.76Å
118	V	96.1	Very high	93.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	140.1	170.7	68.9	0	0	0	0	110.6	L108 D109 V126 R127 L128 V151 F153 I160	L108-V118 WeakPolarHBondContact CA-O 3.28Å; D109-V118 HydrophobicContact CB-CG1 3.81Å; D109-V118 PolarHBondContact N-O 3.16Å; D109-V118 PolarHBondContact O-N 3.44Å; V118-V126 HydrophobicContact CG2-CG1 3.48Å; V118-V126 VanDerWaalsContact CG2-CG1 3.48Å; V118-R127 CarbonylContact C-O 3.52Å; V118-R127 VanDerWaalsContact CA-O 3.29Å; V118-R127 WeakPolarHBondContact CA-O 3.38Å; V118-R127 WeakPolarHBondContact CG2-O 3.36Å; V118-L128 HydrophobicContact CB-CD1 4.44Å; V118-V151 HydrophobicContact CG1-CB 4.13Å; V118-V151 HydrophobicContact CG1-CG2 3.76Å; V118-V151 HydrophobicContact CG2-CB 4.36Å; V118-V151 HydrophobicContact CG2-CG2 4.36Å; V118-F153 HydrophobicContact CB-CD2 4.36Å; V118-F153 HydrophobicContact CB-CE2 3.61Å; V118-F153 HydrophobicContact CB-CZ 3.85Å; V118-F153 HydrophobicContact CG1-CD2 3.61Å; V118-F153 HydrophobicContact CG1-CE2 3.31Å; V118-F153 HydrophobicContact CG1-CZ 4.03Å; V118-I160 HydrophobicContact CB-CD1 4.36Å; V118-I160 HydrophobicContact CG2-CD1 3.98Å; V118-I160 HydrophobicContact CG2-CG2 3.93Å
119	S	96.9	Very high	93.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141.2	176.3	58.3	0	0	0	0	111.9	H101 T107 V126 R127 W129	H101-S119 PolarHBondContact CD2-OG 3.38Å; H101-S119 PolarHBondContact NE2-OG 3.21Å; T107-S119 WeakPolarHBondContact O-CA 3.35Å; S119-V126 CarbonylContact O-C 3.5Å; S119-V126 VanDerWaalsContact O-CA 3.31Å; S119-V126 WeakPolarHBondContact O-CA 3.33Å; S119-R127 PolarHBondContact N-O 3.36Å; S119-R127 PolarHBondContact O-N 2.85Å; S119-W129 PolarHBondContact OG-NE1 3.13Å
120	G	96.9	Very high	93.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	139.5	170.5	0	0	0	0	0	111.2	V105 R106 T107	V105-G120 CarbonylContact C-O 3.55Å; V105-G120 WeakPolarHBondContact CA-O 3.36Å; R106-G120 PolarHBondContact N-O 3.49Å; T107-G120 PolarHBondContact O-N 2.98Å
121	S	97.3	Very high	92.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	158.4	-171.4	172.8	0	0	0	0	113.7	H101 K103 S104 D123 T124 T125 V148	H101-S121 VanDerWaalsContact CE1-CB 3.41Å; H101-S121 WeakPolarHBondContact CE1-CB 3.32Å; H101-S121 WeakPolarHBondContact ND1-CB 3.48Å; K103-S121 PolarHBondContact O-OG 3Å; S104-S121 VanDerWaalsContact O-CA 3.29Å; S104-S121 WeakPolarHBondContact O-CA 3.43Å; S104-S121 PolarHBondContact O-OG 3.14Å; S121-D123 WeakPolarHBondContact CB-OD1 3.49Å; S121-D123 PolarHBondContact O-N 3.4Å; S121-D123 VanDerWaalsContact OG-CG 3.26Å; S121-D123 PolarHBondContact OG-N 3.4Å; S121-D123 PolarHBondContact OG-OD1 3.47Å; S121-T124 PolarHBondContact O-N 3.11Å; S121-T125 PolarHBondContact N-O 3.38Å; S121-V148 PolarHBondContact O-N 2.71Å
122	N	96.8	Very high	92.4	Very high	30 Å²	30	27.5 Å²	27.5	16%	0.16	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-9.3	164	-69.6	-9.6	0	0	0	112.9	K103 S104 R106 T124 H147	K103-N122 HydrophobicContact CB-CB 4.01Å; K103-N122 HydrophobicContact CD-CB 4.22Å; K103-N122 WeakPolarHBondContact CD-O 3.38Å; S104-N122 WeakPolarHBondContact CB-ND2 3.17Å; S104-N122 PolarHBondContact O-N 2.59Å; S104-N122 PolarHBondContact OG-ND2 3.27Å; R106-N122 WeakPolarHBondContact CG-OD1 3.48Å; R106-N122 PolarHBondContact NH1-OD1 3.25Å; N122-T124 PolarHBondContact O-N 3.01Å; N122-H147 HydrophobicContact CB-CB 4.42Å; N122-H147 PolarHBondContact O-CE1 3.16Å; N122-H147 PolarHBondContact O-ND1 3.46Å; N122-H147 WeakPolarHBondContact OD1-CB 3.29Å
123	D	95.8	Very high	91.6	Very high	22 Å²	22	30.2 Å²	30.2	12%	0.118	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	7.6	171.7	79.8	9.3	0	0	0	114.8	H101 M102 K103 S121 T125	H101-D123 VanDerWaalsContact CA-OD2 3.24Å; H101-D123 WeakPolarHBondContact CA-OD2 3.35Å; H101-D123 WeakPolarHBondContact CB-OD2 3.34Å; H101-D123 IonicContact CE1-OD1 3.98Å; H101-D123 IonicContact CG-OD2 3.54Å; H101-D123 VanDerWaalsContact ND1-CG 3.33Å; H101-D123 IonicContact ND1-OD1 3.14Å; H101-D123 PolarHBondContact ND1-OD1 3.22Å; H101-D123 VanDerWaalsContact ND1-OD1 3.14Å; H101-D123 IonicContact ND1-OD2 2.87Å; H101-D123 PolarHBondContact ND1-OD2 3.45Å; M102-D123 HydrophobicContact CB-CB 4.28Å; M102-D123 PolarHBondContact N-OD2 3.27Å; K103-D123 HydrophobicContact CB-CB 4.17Å; K103-D123 HydrophobicContact CD-CB 4.45Å; K103-D123 HydrophobicContact CG-CB 4.19Å; S121-D123 WeakPolarHBondContact CB-OD1 3.49Å; S121-D123 PolarHBondContact O-N 3.4Å; S121-D123 VanDerWaalsContact OG-CG 3.26Å; S121-D123 PolarHBondContact OG-N 3.4Å; S121-D123 PolarHBondContact OG-OD1 3.47Å; D123-T125 PolarHBondContact O-N 2.97Å; D123-T125 WeakPolarHBondContact OD1-CB 3.41Å; D123-T125 PolarHBondContact OD1-N 2.78Å; D123-T125 PolarHBondContact OD1-OG1 3.09Å
124	T	95.9	Very high	90.7	Very high	48 Å²	48	34.3 Å²	34.3	29%	0.294	18%	0.176	S	C	.	.	S	Bend	trans	63.9	5.3	-178.8	93.8	0	0	0	0	115.4	S121 N122 H144 S146	S121-T124 PolarHBondContact O-N 3.11Å; N122-T124 PolarHBondContact O-N 3.01Å; T124-H144 WeakPolarHBondContact CB-O 3.45Å; T124-H144 PolarHBondContact OG1-O 2.82Å; T124-S146 WeakPolarHBondContact CA-O 3.47Å; T124-S146 VanDerWaalsContact CB-O 3.22Å; T124-S146 WeakPolarHBondContact CB-O 3.48Å; T124-S146 VanDerWaalsContact CG2-O 3.31Å; T124-S146 WeakPolarHBondContact CG2-O 3.42Å
125	T	96.4	Very high	90.6	Very high	11 Å²	11	34.5 Å²	34.5	7%	0.067	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	151	173.5	75.1	0	0	0	0	112.4	H101 S121 D123 R127 V140 R142	H101-T125 PolarHBondContact CE1-O 3.03Å; H101-T125 PolarHBondContact CE1-OG1 2.98Å; H101-T125 VanDerWaalsContact CE1-OG1 3.24Å; H101-T125 PolarHBondContact ND1-OG1 3.02Å; S121-T125 PolarHBondContact N-O 3.38Å; D123-T125 PolarHBondContact O-N 2.97Å; D123-T125 WeakPolarHBondContact OD1-CB 3.41Å; D123-T125 PolarHBondContact OD1-N 2.78Å; D123-T125 PolarHBondContact OD1-OG1 3.09Å; T125-R127 PolarHBondContact OG1-NE 3.33Å; T125-V140 HydrophobicContact CG2-CG1 4.02Å; T125-R142 HydrophobicContact CG2-CG 4.17Å
126	V	97.1	Very high	90.6	Very high	2 Å²	2	35 Å²	35	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.6	163	174.8	0	0	0	0	107.4	V118 S119 C141 V148 V151 I160	V118-V126 HydrophobicContact CG2-CG1 3.48Å; V118-V126 VanDerWaalsContact CG2-CG1 3.48Å; S119-V126 CarbonylContact O-C 3.5Å; S119-V126 VanDerWaalsContact O-CA 3.31Å; S119-V126 WeakPolarHBondContact O-CA 3.33Å; V126-C141 HydrophobicContact CB-CB 4.06Å; V126-C141 PolarHBondContact N-O 3.42Å; V126-C141 PolarHBondContact O-N 2.86Å; V126-V148 HydrophobicContact CG2-CG1 3.96Å; V126-V148 HydrophobicContact CG2-CG2 3.97Å; V126-V151 HydrophobicContact CG1-CG1 4.17Å; V126-V151 HydrophobicContact CG2-CG1 4.04Å; V126-I160 HydrophobicContact CG1-CG2 4.48Å
127	R	96.2	Very high	90.5	Very high	30 Å²	30	33.9 Å²	33.9	11%	0.113	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.8	-179.7	-66.1	-176.6	-177	-128.9	5.3	111.9	G100 V118 S119 T125 W129 K139 V140	G100-R127 VanDerWaalsContact C-CZ 3.42Å; G100-R127 PolarHBondContact O-NH1 3.21Å; G100-R127 PolarHBondContact O-NH2 2.86Å; V118-R127 CarbonylContact C-O 3.52Å; V118-R127 VanDerWaalsContact CA-O 3.29Å; V118-R127 WeakPolarHBondContact CA-O 3.38Å; V118-R127 WeakPolarHBondContact CG2-O 3.36Å; S119-R127 PolarHBondContact N-O 3.36Å; S119-R127 PolarHBondContact O-N 2.85Å; T125-R127 PolarHBondContact OG1-NE 3.33Å; R127-W129 HydrophobicContact CB-CZ2 3.86Å; R127-W129 HydrophobicContact CG-CZ2 4.4Å; R127-K139 WeakPolarHBondContact CA-O 3.42Å; R127-V140 HydrophobicContact CG-CG1 4.31Å; R127-V140 HydrophobicContact CG-CG2 4.24Å
128	L	95.3	Very high	90.4	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.031	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	130	173.8	-172.5	64.6	0	0	0	108.6	Y116 V118 C137 I138 K139 F153 I160 I174	Y116-L128 HydrophobicContact CG-CD1 4.41Å; V118-L128 HydrophobicContact CB-CD1 4.44Å; L128-C137 CarbonylContact O-C 3.59Å; L128-I138 HydrophobicContact CB-CG1 4.2Å; L128-I138 HydrophobicContact CD2-CD1 3.8Å; L128-I138 HydrophobicContact CD2-CG1 4.09Å; L128-I138 HydrophobicContact CG-CD1 3.92Å; L128-I138 HydrophobicContact CG-CG1 3.91Å; L128-I138 WeakPolarHBondContact O-CG1 3.46Å; L128-I138 PolarHBondContact O-N 2.93Å; L128-K139 HydrophobicContact CB-CB 4.01Å; L128-K139 PolarHBondContact N-O 3.38Å; L128-K139 PolarHBondContact O-N 2.83Å; L128-F153 HydrophobicContact CD1-CE1 3.97Å; L128-F153 HydrophobicContact CD1-CZ 3.6Å; L128-I160 HydrophobicContact CD1-CD1 3.98Å; L128-I174 HydrophobicContact CD2-CG1 4.33Å; L128-I174 HydrophobicContact CD2-CG2 3.78Å
129	W	94.1	Very high	90.2	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.008	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.6	-174.7	-48.7	86.1	0	0	0	110.3	I84 L98 N99 Y116 V117 S119 R127 V131 N136 C137	I84-W129 HydrophobicContact CD1-CZ2 4.09Å; L98-W129 HydrophobicContact CB-CD2 4.03Å; L98-W129 HydrophobicContact CB-CE3 3.7Å; L98-W129 HydrophobicContact CB-CH2 4.05Å; L98-W129 HydrophobicContact CB-CZ2 4.36Å; L98-W129 HydrophobicContact CB-CZ3 3.71Å; L98-W129 HydrophobicContact CD1-CB 4.11Å; L98-W129 HydrophobicContact CD1-CD2 3.94Å; L98-W129 HydrophobicContact CD1-CE3 4.32Å; L98-W129 HydrophobicContact CD1-CG 3.84Å; L98-W129 HydrophobicContact CD2-CE3 4.24Å; L98-W129 HydrophobicContact CG-CD2 4.42Å; L98-W129 HydrophobicContact CG-CE3 4.31Å; N99-W129 WeakPolarHBondContact O-CH2 3.33Å; N99-W129 WeakPolarHBondContact O-CZ3 3.18Å; Y116-W129 VanDerWaalsContact CA-O 3.3Å; Y116-W129 WeakPolarHBondContact CA-O 3.16Å; V117-W129 HydrophobicContact CB-CB 4.48Å; V117-W129 PolarHBondContact N-O 3.35Å; V117-W129 PolarHBondContact O-N 2.99Å; S119-W129 PolarHBondContact OG-NE1 3.13Å; R127-W129 HydrophobicContact CB-CZ2 3.86Å; R127-W129 HydrophobicContact CG-CZ2 4.4Å; W129-V131 HydrophobicContact CB-CG1 4.32Å; W129-N136 WeakPolarHBondContact CA-O 3.45Å; W129-C137 HydrophobicContact CD2-CB 4.37Å; W129-C137 HydrophobicContact CE3-CB 3.64Å; W129-C137 HydrophobicContact CH2-CB 4.16Å; W129-C137 HydrophobicContact CZ3-CB 3.54Å
130	D	90.9	Very high	90	Very high	18 Å²	18	43 Å²	43	10%	0.096	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	113.3	165.9	-178.5	-34	0	0	0	108.6	Y116 Q132 N133 N135 N136 I138	Y116-D130 HydrophobicContact CD1-CB 4.32Å; Y116-D130 HydrophobicContact CE1-CB 4.25Å; D130-Q132 PolarHBondContact OD1-N 2.95Å; D130-N133 PolarHBondContact OD1-N 3.05Å; D130-N133 PolarHBondContact OD1-ND2 3.39Å; D130-N133 PolarHBondContact OD2-ND2 2.97Å; D130-N135 CarbonylContact O-C 3.39Å; D130-N135 WeakPolarHBondContact O-CA 3.37Å; D130-N135 PolarHBondContact O-N 3.37Å; D130-N136 PolarHBondContact N-O 3.47Å; D130-N136 PolarHBondContact O-N 2.87Å; D130-I138 HydrophobicContact CB-CD1 4.44Å; D130-I138 HydrophobicContact CB-CG2 3.69Å
131	V	86.6	Confident	89.9	Confident	7 Å²	7	43.4 Å²	43.4	4%	0.042	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	8.9	-179.5	-62.5	0	0	0	0	112.9	Y76 R86 L98 E115 V117 W129	Y76-V131 HydrophobicContact CE1-CG1 4.16Å; Y76-V131 WeakPolarHBondContact OH-CB 3.27Å; R86-V131 PolarHBondContact NH1-O 2.83Å; L98-V131 HydrophobicContact CD1-CG1 4.44Å; L98-V131 HydrophobicContact CD2-CG1 4.4Å; E115-V131 WeakPolarHBondContact O-CG2 3.42Å; E115-V131 PolarHBondContact O-N 3.21Å; E115-V131 VanDerWaalsContact O-N 3.15Å; V117-V131 HydrophobicContact CB-CG1 4.29Å; V117-V131 HydrophobicContact CG2-CB 4.31Å; V117-V131 HydrophobicContact CG2-CG1 3.6Å; V117-V131 HydrophobicContact CG2-CG2 3.76Å; W129-V131 HydrophobicContact CB-CG1 4.32Å
132	Q	81.6	Confident	89.7	Confident	123 Å²	123	52 Å²	52	58%	0.575	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-48.2	175.6	-176.9	177.9	25.2	0	0	111.3	D130	D130-Q132 PolarHBondContact OD1-N 2.95Å
133	N	70.5	Confident	89.3	Confident	112 Å²	112	52.3 Å²	52.3	60%	0.599	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-52	-167.9	-60.9	-59.8	0	0	0	112	D130	D130-N133 PolarHBondContact OD1-N 3.05Å; D130-N133 PolarHBondContact OD1-ND2 3.39Å; D130-N133 PolarHBondContact OD2-ND2 2.97Å
134	E	66	Low	89.2	Confident	136 Å²	136	51.7 Å²	51.7	64%	0.636	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138	-9.1	-169.5	-61.2	-172.8	151.5	0	0	115.9	N136	E134-N136 HydrophobicContact CB-CB 4.09Å; E134-N136 WeakPolarHBondContact CB-ND2 3.39Å; E134-N136 PolarHBondContact OE2-ND2 3.46Å
135	N	79.8	Confident	89	Confident	38 Å²	38	57.5 Å²	57.5	20%	0.203	29%	0.29	C	S	.	.			trans	65.3	25.2	-168.7	-51.8	-90.5	0	0	0	113.3	R86 S96 L98 D130	R86-N135 PolarHBondContact NH1-OD1 3.28Å; S96-N135 VanDerWaalsContact CB-OD1 3.29Å; S96-N135 WeakPolarHBondContact CB-OD1 3.5Å; S96-N135 PolarHBondContact OG-OD1 2.65Å; L98-N135 HydrophobicContact CD2-CB 3.72Å; L98-N135 VanDerWaalsContact CD2-O 3.31Å; L98-N135 WeakPolarHBondContact CD2-O 3.17Å; D130-N135 CarbonylContact O-C 3.39Å; D130-N135 WeakPolarHBondContact O-CA 3.37Å; D130-N135 PolarHBondContact O-N 3.37Å
136	N	85.5	Confident	88.8	Confident	84 Å²	84	58.5 Å²	58.5	45%	0.449	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	149.9	-172.4	-88.4	-28.4	0	0	0	113.6	W129 D130 E134 I138	W129-N136 WeakPolarHBondContact CA-O 3.45Å; D130-N136 PolarHBondContact N-O 3.47Å; D130-N136 PolarHBondContact O-N 2.87Å; E134-N136 HydrophobicContact CB-CB 4.09Å; E134-N136 WeakPolarHBondContact CB-ND2 3.39Å; E134-N136 PolarHBondContact OE2-ND2 3.46Å; N136-I138 PolarHBondContact O-N 3.04Å; N136-I138 VanDerWaalsContact O-N 3.08Å
137	C	90.9	Very high	88.7	Confident	42 Å²	42	61.3 Å²	61.3	28%	0.284	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	85.5	176.9	-178.2	0	0	0	0	110.9	L128 W129 K139	L128-C137 CarbonylContact O-C 3.59Å; W129-C137 HydrophobicContact CD2-CB 4.37Å; W129-C137 HydrophobicContact CE3-CB 3.64Å; W129-C137 HydrophobicContact CH2-CB 4.16Å; W129-C137 HydrophobicContact CZ3-CB 3.54Å; C137-K139 VanDerWaalsContact C-N 3.3Å; C137-K139 PolarHBondContact O-N 3.24Å
138	I	91.3	Very high	88.8	Confident	84 Å²	84	59.9 Å²	59.9	43%	0.431	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	-23.8	-176.8	60.1	169	0	0	0	114	Y116 L128 D130 N136	Y116-I138 HydrophobicContact CD1-CD1 3.85Å; Y116-I138 HydrophobicContact CE1-CD1 3.73Å; L128-I138 HydrophobicContact CB-CG1 4.2Å; L128-I138 HydrophobicContact CD2-CD1 3.8Å; L128-I138 HydrophobicContact CD2-CG1 4.09Å; L128-I138 HydrophobicContact CG-CD1 3.92Å; L128-I138 HydrophobicContact CG-CG1 3.91Å; L128-I138 WeakPolarHBondContact O-CG1 3.46Å; L128-I138 PolarHBondContact O-N 2.93Å; D130-I138 HydrophobicContact CB-CD1 4.44Å; D130-I138 HydrophobicContact CB-CG2 3.69Å; N136-I138 PolarHBondContact O-N 3.04Å; N136-I138 VanDerWaalsContact O-N 3.08Å
139	K	91.7	Very high	88.7	Confident	70 Å²	70	60.7 Å²	60.7	30%	0.304	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	137	174.3	-169.3	66.9	173.2	-170.5	0	112.6	R127 L128 C137 S177	R127-K139 WeakPolarHBondContact CA-O 3.42Å; L128-K139 HydrophobicContact CB-CB 4.01Å; L128-K139 PolarHBondContact N-O 3.38Å; L128-K139 PolarHBondContact O-N 2.83Å; C137-K139 VanDerWaalsContact C-N 3.3Å; C137-K139 PolarHBondContact O-N 3.24Å; K139-S177 WeakPolarHBondContact CE-O 3.47Å; K139-S177 PolarHBondContact NZ-O 3.11Å
140	V	94.6	Very high	88.8	Confident	38 Å²	38	61 Å²	61	23%	0.23	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115	161.4	-172.2	0	0	0	0	108.1	T125 R127 R142	T125-V140 HydrophobicContact CG2-CG1 4.02Å; R127-V140 HydrophobicContact CG-CG1 4.31Å; R127-V140 HydrophobicContact CG-CG2 4.24Å; V140-R142 HydrophobicContact CG1-CG 4.2Å
141	C	93.6	Very high	89.1	Confident	9 Å²	9	60.1 Å²	60.1	6%	0.061	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	128.8	172.2	-68.8	0	0	0	0	109	V126 W172	V126-C141 HydrophobicContact CB-CB 4.06Å; V126-C141 PolarHBondContact N-O 3.42Å; V126-C141 PolarHBondContact O-N 2.86Å; C141-W172 HydrophobicContact CB-CD2 3.73Å; C141-W172 HydrophobicContact CB-CE3 3.59Å; C141-W172 HydrophobicContact CB-CH2 3.87Å; C141-W172 HydrophobicContact CB-CZ2 3.94Å; C141-W172 HydrophobicContact CB-CZ3 3.66Å
142	R	93.3	Very high	89.5	Confident	179 Å²	179	61.6 Å²	61.6	68%	0.675	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.3	178.9	-64.5	-173.6	175.6	95.6	-5.9	108.3	T125 V140 W172	T125-R142 HydrophobicContact CG2-CG 4.17Å; V140-R142 HydrophobicContact CG1-CG 4.2Å; R142-W172 WeakPolarHBondContact O-CH2 3.23Å
143	G	88.1	Confident	90.2	Very high	38 Å²	38	56.1 Å²	56.1	39%	0.392	29%	0.287	S	S	.	.			trans	175.4	-36.7	-176.9	0	0	0	0	0	111.5	M145	G143-M145 PolarHBondContact O-N 2.96Å
144	H	93.4	Very high	91.3	Very high	9 Å²	9	50.8 Å²	50.8	4%	0.042	26%	0.259	C	S	.	.			trans	-62.1	135.5	172.5	-78	-60.3	0	0	0	112.4	T124 V148 S162 G164 E166 S168	T124-H144 WeakPolarHBondContact CB-O 3.45Å; T124-H144 PolarHBondContact OG1-O 2.82Å; H144-V148 HydrophobicContact CB-CG2 4.23Å; H144-S162 PolarHBondContact CD2-OG 3.5Å; H144-S162 WeakPolarHBondContact NE2-CB 3.4Å; H144-S162 PolarHBondContact NE2-O 3.5Å; H144-S162 PolarHBondContact NE2-OG 3.47Å; H144-G164 PolarHBondContact CE1-N 3.33Å; H144-G164 VanDerWaalsContact CE1-N 3.3Å; H144-E166 WeakPolarHBondContact CA-OE1 3.1Å; H144-E166 WeakPolarHBondContact CB-OE1 3.4Å; H144-E166 IonicContact CG-OE1 3.85Å; H144-E166 IonicContact ND1-OE1 2.72Å; H144-E166 PolarHBondContact ND1-OE1 3.45Å; H144-S168 PolarHBondContact ND1-OG 2.95Å
145	M	91.8	Very high	92.5	Very high	170 Å²	170	46.6 Å²	46.6	84%	0.837	24%	0.243	S	C	*	.	S	Bend	trans	-88.7	-15.7	178.3	-63.5	-174.2	71.1	0	0	112.4	G143 E166	G143-M145 PolarHBondContact O-N 2.96Å; M145-E166 HydrophobicContact CB-CG 4.33Å; M145-E166 PolarHBondContact N-OE1 2.91Å
146	S	93.6	Very high	92.9	Very high	32 Å²	32	46.5 Å²	46.5	22%	0.224	24%	0.242	C	C	.	.	S	Bend	trans	-140.8	-167.4	179.8	-160	0	0	0	0	111.9	T124 V148 E166	T124-S146 WeakPolarHBondContact CA-O 3.47Å; T124-S146 VanDerWaalsContact CB-O 3.22Å; T124-S146 WeakPolarHBondContact CB-O 3.48Å; T124-S146 VanDerWaalsContact CG2-O 3.31Å; T124-S146 WeakPolarHBondContact CG2-O 3.42Å; S146-V148 PolarHBondContact O-N 3.37Å; S146-E166 WeakPolarHBondContact CA-OE2 3.47Å; S146-E166 WeakPolarHBondContact CB-OE2 3.44Å; S146-E166 PolarHBondContact N-OE2 3.25Å; S146-E166 VanDerWaalsContact N-OE2 3.12Å
147	H	95.1	Very high	93.1	Very high	61 Å²	61	42.8 Å²	42.8	28%	0.282	22%	0.224	S	C	.	.			trans	-62.5	133.2	-174.8	-58.2	-17.4	0	0	0	112.1	N122 N149 G164 L165	N122-H147 HydrophobicContact CB-CB 4.42Å; N122-H147 PolarHBondContact O-CE1 3.16Å; N122-H147 PolarHBondContact O-ND1 3.46Å; N122-H147 WeakPolarHBondContact OD1-CB 3.29Å; H147-N149 PolarHBondContact O-N 3.05Å; H147-G164 CarbonylContact O-C 3.59Å; H147-L165 HydrophobicContact CB-CB 4.2Å; H147-L165 HydrophobicContact CB-CD2 4.37Å; H147-L165 WeakPolarHBondContact O-CB 3.39Å; H147-L165 PolarHBondContact O-N 2.77Å
148	V	96.8	Very high	93.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	110.2	175.1	-169.4	0	0	0	0	108.9	S121 V126 H144 S146 V151	S121-V148 PolarHBondContact O-N 2.71Å; V126-V148 HydrophobicContact CG2-CG1 3.96Å; V126-V148 HydrophobicContact CG2-CG2 3.97Å; H144-V148 HydrophobicContact CB-CG2 4.23Å; S146-V148 PolarHBondContact O-N 3.37Å; V148-V151 HydrophobicContact CG1-CG1 3.76Å
149	N	94.3	Very high	93.3	Very high	22 Å²	22	41 Å²	41	12%	0.118	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-31.3	-178.1	-74.5	-39.4	0	0	0	112.6	R106 H147 A163 L165 I192	R106-N149 PolarHBondContact NH1-OD1 3.47Å; R106-N149 VanDerWaalsContact NH1-OD1 3.16Å; H147-N149 PolarHBondContact O-N 3.05Å; N149-A163 PolarHBondContact N-O 3.12Å; N149-L165 WeakPolarHBondContact ND2-CD1 3.33Å; N149-I192 WeakPolarHBondContact CB-O 3.38Å; N149-I192 PolarHBondContact ND2-O 3.01Å
150	S	95.4	Very high	93.5	Very high	9 Å²	9	37.8 Å²	37.8	6%	0.063	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	136.5	-174.5	-173.1	0	0	0	0	111.6	S162 A163 V195	S150-S162 CarbonylContact O-C 3.58Å; S150-S162 WeakPolarHBondContact O-CA 3.49Å; S150-A163 PolarHBondContact O-N 2.97Å; S150-V195 PolarHBondContact OG-N 3.4Å; S150-V195 VanDerWaalsContact OG-N 3.09Å
151	V	97.1	Very high	93.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.1	168.4	-61.9	0	0	0	0	109.9	T107 D109 V118 V126 V148 A161	T107-V151 HydrophobicContact CG2-CB 4.39Å; T107-V151 HydrophobicContact CG2-CG1 4.09Å; T107-V151 HydrophobicContact CG2-CG2 3.87Å; T107-V151 PolarHBondContact OG1-N 2.91Å; T107-V151 VanDerWaalsContact OG1-N 3.09Å; D109-V151 HydrophobicContact CB-CG2 4.44Å; V118-V151 HydrophobicContact CG1-CB 4.13Å; V118-V151 HydrophobicContact CG1-CG2 3.76Å; V118-V151 HydrophobicContact CG2-CB 4.36Å; V118-V151 HydrophobicContact CG2-CG2 4.36Å; V126-V151 HydrophobicContact CG1-CG1 4.17Å; V126-V151 HydrophobicContact CG2-CG1 4.04Å; V148-V151 HydrophobicContact CG1-CG1 3.76Å; V151-A161 CarbonylContact C-O 3.6Å; V151-A161 VanDerWaalsContact CA-O 3.31Å; V151-A161 WeakPolarHBondContact CA-O 3.39Å
152	K	96	Very high	93.8	Very high	37 Å²	37	35.5 Å²	35.5	16%	0.161	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	146	173	-74.4	-58.9	-177.9	177	0	112	D109 I160 A161 V195 Q196 F197	D109-K152 HydrophobicContact CB-CD 4.25Å; D109-K152 VanDerWaalsContact OD1-CD 3.27Å; D109-K152 WeakPolarHBondContact OD1-CD 3.09Å; D109-K152 IonicContact OD1-NZ 2.68Å; D109-K152 PolarHBondContact OD1-NZ 2.7Å; D109-K152 WeakPolarHBondContact OD2-CA 3.3Å; D109-K152 WeakPolarHBondContact OD2-CD 3.33Å; K152-I160 CarbonylContact O-C 3.57Å; K152-I160 VanDerWaalsContact O-CA 3.3Å; K152-I160 WeakPolarHBondContact O-CA 3.42Å; K152-A161 PolarHBondContact N-O 2.86Å; K152-A161 PolarHBondContact O-N 3.44Å; K152-V195 VanDerWaalsContact CG-O 3.25Å; K152-V195 WeakPolarHBondContact CG-O 3.44Å; K152-Q196 VanDerWaalsContact CE-OE1 3.27Å; K152-F197 HydrophobicContact CB-CD2 4Å; K152-F197 HydrophobicContact CB-CE2 4.2Å
153	F	95.3	Very high	93.9	Very high	9 Å²	9	27 Å²	27	4%	0.039	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	151.7	161.5	-75.7	-90	0	0	0	111.3	D109 F110 N111 V118 L128 W159 I160 I174 F197	D109-F153 HydrophobicContact CB-CD2 4.28Å; D109-F153 PolarHBondContact OD2-N 3.45Å; F110-F153 WeakPolarHBondContact O-CD2 3.32Å; N111-F153 HydrophobicContact CB-CD1 4.11Å; N111-F153 HydrophobicContact CB-CE1 3.83Å; N111-F153 HydrophobicContact CB-CE2 4.25Å; N111-F153 HydrophobicContact CB-CG 4.45Å; N111-F153 HydrophobicContact CB-CZ 3.89Å; N111-F153 VanDerWaalsContact N-CD2 3.32Å; V118-F153 HydrophobicContact CB-CD2 4.36Å; V118-F153 HydrophobicContact CB-CE2 3.61Å; V118-F153 HydrophobicContact CB-CZ 3.85Å; V118-F153 HydrophobicContact CG1-CD2 3.61Å; V118-F153 HydrophobicContact CG1-CE2 3.31Å; V118-F153 HydrophobicContact CG1-CZ 4.03Å; L128-F153 HydrophobicContact CD1-CE1 3.97Å; L128-F153 HydrophobicContact CD1-CZ 3.6Å; F153-W159 WeakPolarHBondContact CA-O 3.29Å; F153-I160 HydrophobicContact CD1-CG1 3.94Å; F153-I160 HydrophobicContact CE1-CD1 4.19Å; F153-I160 HydrophobicContact CE1-CG1 3.92Å; F153-I174 HydrophobicContact CD1-CD1 3.91Å; F153-I174 HydrophobicContact CE1-CD1 3.63Å; F153-F197 WeakPolarHBondContact O-CD2 3.48Å
154	S	94	Very high	94.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.131	C	C	.	.			trans	-70.3	156.1	165.9	53.6	0	0	0	0	111.6	D156 G157 L158 W159	S154-D156 VanDerWaalsContact CB-OD1 3.3Å; S154-D156 WeakPolarHBondContact CB-OD1 3.5Å; S154-D156 PolarHBondContact O-N 3.01Å; S154-D156 VanDerWaalsContact O-N 3.11Å; S154-D156 PolarHBondContact OG-OD1 2.8Å; S154-G157 PolarHBondContact O-N 3.23Å; S154-L158 PolarHBondContact OG-N 2.88Å; S154-W159 PolarHBondContact N-O 3.09Å; S154-W159 PolarHBondContact OG-N 3.33Å; S154-W159 PolarHBondContact OG-O 3.07Å
155	P	90.4	Very high	94	Very high	48 Å²	48	28.2 Å²	28.2	31%	0.312	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-18	179.8	-23.8	33.7	0	0	0	115.3	F197 H198 F329	P155-F197 HydrophobicContact CG-CB 4.39Å; P155-H198 WeakPolarHBondContact CG-O 3.1Å; P155-F329 HydrophobicContact CB-CB 4.16Å; P155-F329 HydrophobicContact CB-CD2 4.36Å; P155-F329 HydrophobicContact CB-CG 4.37Å; P155-F329 HydrophobicContact CG-CB 4.45Å; P155-F329 HydrophobicContact CG-CD2 3.72Å; P155-F329 HydrophobicContact CG-CE2 4.18Å; P155-F329 HydrophobicContact CG-CG 4.17Å
156	D	88.9	Confident	94	Very high	35 Å²	35	22.5 Å²	22.5	19%	0.187	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-5.8	173.2	65.5	0.5	0	0	0	113.8	S154 L158 F329	S154-D156 VanDerWaalsContact CB-OD1 3.3Å; S154-D156 WeakPolarHBondContact CB-OD1 3.5Å; S154-D156 PolarHBondContact O-N 3.01Å; S154-D156 VanDerWaalsContact O-N 3.11Å; S154-D156 PolarHBondContact OG-OD1 2.8Å; D156-L158 VanDerWaalsContact C-N 3.25Å; D156-L158 HydrophobicContact CB-CD1 4.42Å; D156-L158 HydrophobicContact CB-CG 4.19Å; D156-L158 PolarHBondContact O-N 3.24Å; D156-L158 PolarHBondContact OD1-N 3.38Å; D156-L158 WeakPolarHBondContact OD2-CD1 3.4Å; D156-F329 HydrophobicContact CB-CB 4.32Å; D156-F329 HydrophobicContact CB-CD1 4.44Å
157	G	90.7	Very high	93.8	Very high	6 Å²	6	21.2 Å²	21.2	6%	0.062	11%	0.11	C	C	.	.	S	Bend	trans	70.9	11.3	-178.3	0	0	0	0	0	115.2	S154 I174	S154-G157 PolarHBondContact O-N 3.23Å; G157-I174 VanDerWaalsContact O-CD1 3.28Å; G157-I174 WeakPolarHBondContact O-CD1 3.4Å
158	L	91.3	Very high	93.7	Very high	58 Å²	58	18.6 Å²	18.6	30%	0.304	10%	0.099	S	C	.	.	S	Bend	trans	-95	-26.2	-174.2	-57.6	-176	0	0	0	114.1	S154 D156 I174	S154-L158 PolarHBondContact OG-N 2.88Å; D156-L158 VanDerWaalsContact C-N 3.25Å; D156-L158 HydrophobicContact CB-CD1 4.42Å; D156-L158 HydrophobicContact CB-CG 4.19Å; D156-L158 PolarHBondContact O-N 3.24Å; D156-L158 PolarHBondContact OD1-N 3.38Å; D156-L158 WeakPolarHBondContact OD2-CD1 3.4Å; L158-I174 WeakPolarHBondContact O-CG1 3.05Å; L158-I174 PolarHBondContact O-N 3.06Å
159	W	94.4	Very high	93.6	Very high	30 Å²	30	18.6 Å²	18.6	11%	0.114	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	157	-176.9	-66.8	-13.1	0	0	0	112	F153 S154 I171 W172 D173 I180 M181 F202 L218 F329	F153-W159 WeakPolarHBondContact CA-O 3.29Å; S154-W159 PolarHBondContact N-O 3.09Å; S154-W159 PolarHBondContact OG-N 3.33Å; S154-W159 PolarHBondContact OG-O 3.07Å; W159-I171 HydrophobicContact CB-CG2 4.15Å; W159-I171 HydrophobicContact CD2-CG2 4.34Å; W159-I171 HydrophobicContact CE3-CG2 4.31Å; W159-I171 HydrophobicContact CG-CG2 4.32Å; W159-W172 CarbonylContact C-O 3.52Å; W159-W172 VanDerWaalsContact CA-O 3.27Å; W159-W172 WeakPolarHBondContact CA-O 3.42Å; W159-D173 PolarHBondContact NE1-OD2 3.33Å; W159-I180 HydrophobicContact CD2-CD1 4.05Å; W159-I180 VanDerWaalsContact CE2-CD1 3.46Å; W159-I180 HydrophobicContact CG-CD1 4.4Å; W159-I180 HydrophobicContact CH2-CD1 4.39Å; W159-I180 HydrophobicContact CZ2-CD1 3.65Å; W159-M181 HydrophobicContact CE3-CE 4.05Å; W159-M181 HydrophobicContact CH2-CE 3.64Å; W159-M181 HydrophobicContact CZ2-CE 4.19Å; W159-M181 HydrophobicContact CZ3-CE 3.58Å; W159-F202 HydrophobicContact CH2-CD1 4.08Å; W159-F202 AromaticContact CH2-CE1 3.56Å; W159-F202 HydrophobicContact CH2-CE1 3.56Å; W159-F202 HydrophobicContact CZ2-CE1 4.46Å; W159-F202 AromaticContact CZ3-CD1 4Å; W159-F202 HydrophobicContact CZ3-CD1 4Å; W159-F202 AromaticContact CZ3-CE1 3.74Å; W159-F202 HydrophobicContact CZ3-CE1 3.74Å; W159-L218 HydrophobicContact CE3-CD1 4.5Å; W159-L218 HydrophobicContact CZ3-CB 4.05Å; W159-L218 HydrophobicContact CZ3-CD1 4.24Å; W159-F329 HydrophobicContact CE3-CE1 4.25Å; W159-F329 HydrophobicContact CZ3-CE1 4.48Å
160	I	96.3	Very high	93.7	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.015	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129.4	170.9	-63	164	0	0	0	107.4	V118 V126 L128 K152 F153 I171 W172 I174	V118-I160 HydrophobicContact CB-CD1 4.36Å; V118-I160 HydrophobicContact CG2-CD1 3.98Å; V118-I160 HydrophobicContact CG2-CG2 3.93Å; V126-I160 HydrophobicContact CG1-CG2 4.48Å; L128-I160 HydrophobicContact CD1-CD1 3.98Å; K152-I160 CarbonylContact O-C 3.57Å; K152-I160 VanDerWaalsContact O-CA 3.3Å; K152-I160 WeakPolarHBondContact O-CA 3.42Å; F153-I160 HydrophobicContact CD1-CG1 3.94Å; F153-I160 HydrophobicContact CE1-CD1 4.19Å; F153-I160 HydrophobicContact CE1-CG1 3.92Å; I160-I171 CarbonylContact O-C 3.57Å; I160-I171 WeakPolarHBondContact O-CA 3.08Å; I160-W172 HydrophobicContact CB-CB 4.31Å; I160-W172 PolarHBondContact N-O 3.36Å; I160-W172 PolarHBondContact O-N 3.34Å; I160-I174 HydrophobicContact CD1-CD1 4.19Å; I160-I174 HydrophobicContact CD1-CG1 3.89Å; I160-I174 HydrophobicContact CG1-CD1 4.04Å; I160-I174 HydrophobicContact CG1-CG1 4.07Å
161	A	96.8	Very high	93.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	136.8	161.4	0	0	0	0	0	109.2	V151 K152 I171 V195 F197 L204	V151-A161 CarbonylContact C-O 3.6Å; V151-A161 VanDerWaalsContact CA-O 3.31Å; V151-A161 WeakPolarHBondContact CA-O 3.39Å; K152-A161 PolarHBondContact N-O 2.86Å; K152-A161 PolarHBondContact O-N 3.44Å; A161-I171 HydrophobicContact CB-CD1 3.66Å; A161-V195 HydrophobicContact CB-CG2 4.32Å; A161-F197 HydrophobicContact CB-CD2 4.41Å; A161-F197 HydrophobicContact CB-CE1 4.49Å; A161-F197 HydrophobicContact CB-CE2 3.47Å; A161-F197 VanDerWaalsContact CB-CE2 3.47Å; A161-F197 HydrophobicContact CB-CZ 3.54Å; A161-L204 HydrophobicContact CB-CD1 3.96Å; A161-L204 HydrophobicContact CB-CD2 4.12Å
162	S	96.8	Very high	93.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	143.5	169.7	62.4	0	0	0	0	110.8	H144 S150 I169 L170 W172	H144-S162 PolarHBondContact CD2-OG 3.5Å; H144-S162 WeakPolarHBondContact NE2-CB 3.4Å; H144-S162 PolarHBondContact NE2-O 3.5Å; H144-S162 PolarHBondContact NE2-OG 3.47Å; S150-S162 CarbonylContact O-C 3.58Å; S150-S162 WeakPolarHBondContact O-CA 3.49Å; S162-I169 CarbonylContact O-C 3.59Å; S162-I169 VanDerWaalsContact O-CA 3.31Å; S162-I169 WeakPolarHBondContact O-CA 3.25Å; S162-I169 WeakPolarHBondContact O-CG2 3.47Å; S162-L170 PolarHBondContact N-O 3.08Å; S162-L170 PolarHBondContact O-N 3.37Å; S162-L170 PolarHBondContact OG-O 3.43Å; S162-W172 PolarHBondContact OG-NE1 3.26Å
163	A	95.1	Very high	93.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.2	-176.1	0	0	0	0	0	112.4	N149 S150 S168 I192 V195	N149-A163 PolarHBondContact N-O 3.12Å; S150-A163 PolarHBondContact O-N 2.97Å; A163-S168 WeakPolarHBondContact CA-O 3.36Å; A163-I192 HydrophobicContact CB-CB 4.02Å; A163-I192 HydrophobicContact CB-CG2 3.56Å; A163-V195 HydrophobicContact CB-CG1 3.67Å; A163-V195 HydrophobicContact CB-CG2 4.18Å
164	G	92.7	Very high	93.2	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	155.4	-173.5	0	0	0	0	0	114.2	H144 H147 E166 G167 S168 I192	H144-G164 PolarHBondContact CE1-N 3.33Å; H144-G164 VanDerWaalsContact CE1-N 3.3Å; H147-G164 CarbonylContact O-C 3.59Å; G164-E166 VanDerWaalsContact CA-OE2 3.26Å; G164-E166 WeakPolarHBondContact CA-OE2 3.45Å; G164-E166 PolarHBondContact O-N 2.79Å; G164-G167 PolarHBondContact O-N 3.16Å; G164-G167 VanDerWaalsContact O-N 3.08Å; G164-S168 PolarHBondContact N-O 3.28Å; G164-I192 PolarHBondContact O-N 3.39Å
165	L	91.8	Very high	92.9	Very high	72 Å²	72	24.5 Å²	24.5	38%	0.377	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.6	169.5	-169.6	76.7	0	0	0	111.8	H147 N149 G167 A191	H147-L165 HydrophobicContact CB-CB 4.2Å; H147-L165 HydrophobicContact CB-CD2 4.37Å; H147-L165 WeakPolarHBondContact O-CB 3.39Å; H147-L165 PolarHBondContact O-N 2.77Å; N149-L165 WeakPolarHBondContact ND2-CD1 3.33Å; L165-G167 PolarHBondContact O-N 3.39Å; L165-A191 HydrophobicContact CD1-CB 3.75Å; L165-A191 HydrophobicContact CG-CB 4.25Å; L165-A191 WeakPolarHBondContact O-CA 3.31Å; L165-A191 WeakPolarHBondContact O-CB 3.18Å
166	E	91	Very high	92.7	Very high	50 Å²	50	29.3 Å²	29.3	23%	0.234	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-7.6	171.7	70.2	-88.5	-151.7	0	0	114.4	H144 M145 S146 G164 S168	H144-E166 WeakPolarHBondContact CA-OE1 3.1Å; H144-E166 WeakPolarHBondContact CB-OE1 3.4Å; H144-E166 IonicContact CG-OE1 3.85Å; H144-E166 IonicContact ND1-OE1 2.72Å; H144-E166 PolarHBondContact ND1-OE1 3.45Å; M145-E166 HydrophobicContact CB-CG 4.33Å; M145-E166 PolarHBondContact N-OE1 2.91Å; S146-E166 WeakPolarHBondContact CA-OE2 3.47Å; S146-E166 WeakPolarHBondContact CB-OE2 3.44Å; S146-E166 PolarHBondContact N-OE2 3.25Å; S146-E166 VanDerWaalsContact N-OE2 3.12Å; G164-E166 VanDerWaalsContact CA-OE2 3.26Å; G164-E166 WeakPolarHBondContact CA-OE2 3.45Å; G164-E166 PolarHBondContact O-N 2.79Å; E166-S168 WeakPolarHBondContact CG-OG 3.15Å; E166-S168 PolarHBondContact OE1-OG 2.92Å
167	G	89.8	Confident	92.5	Very high	5 Å²	5	30.1 Å²	30.1	5%	0.052	14%	0.143	C	C	.	.	S	Bend	trans	90.3	8.1	179.2	0	0	0	0	0	115.4	G164 L165 T190 I192	G164-G167 PolarHBondContact O-N 3.16Å; G164-G167 VanDerWaalsContact O-N 3.08Å; L165-G167 PolarHBondContact O-N 3.39Å; G167-T190 WeakPolarHBondContact CA-O 3.36Å; G167-I192 WeakPolarHBondContact O-CD1 3.38Å
168	S	92.5	Very high	92.4	Very high	6 Å²	6	36.9 Å²	36.9	4%	0.042	17%	0.171	C	C	.	.			trans	-90.1	150.6	174.5	64.7	0	0	0	0	112.7	H144 A163 G164 E166 F183	H144-S168 PolarHBondContact ND1-OG 2.95Å; A163-S168 WeakPolarHBondContact CA-O 3.36Å; G164-S168 PolarHBondContact N-O 3.28Å; E166-S168 WeakPolarHBondContact CG-OG 3.15Å; E166-S168 PolarHBondContact OE1-OG 2.92Å; S168-F183 WeakPolarHBondContact CA-O 3.19Å
169	I	95.3	Very high	92.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.9	164.7	-47.3	174.1	0	0	0	108.7	S162 I171 E182 F183 I192 V195 L204 A206 Y216	S162-I169 CarbonylContact O-C 3.59Å; S162-I169 VanDerWaalsContact O-CA 3.31Å; S162-I169 WeakPolarHBondContact O-CA 3.25Å; S162-I169 WeakPolarHBondContact O-CG2 3.47Å; I169-I171 HydrophobicContact CG2-CD1 4.02Å; I169-E182 CarbonylContact O-C 3.42Å; I169-E182 WeakPolarHBondContact O-CA 3.47Å; I169-F183 HydrophobicContact CB-CB 4.19Å; I169-F183 HydrophobicContact CB-CD2 4.35Å; I169-F183 PolarHBondContact N-O 3.22Å; I169-F183 PolarHBondContact O-N 3.21Å; I169-I192 HydrophobicContact CD1-CD1 3.93Å; I169-I192 HydrophobicContact CG1-CD1 3.34Å; I169-V195 HydrophobicContact CD1-CG1 4.17Å; I169-V195 HydrophobicContact CG1-CG1 4.41Å; I169-V195 HydrophobicContact CG2-CG1 4.46Å; I169-L204 HydrophobicContact CD1-CD2 4.22Å; I169-L204 HydrophobicContact CG2-CD2 3.77Å; I169-A206 HydrophobicContact CD1-CB 3.62Å; I169-Y216 HydrophobicContact CD1-CD2 3.95Å; I169-Y216 HydrophobicContact CD1-CE2 3.57Å
170	L	95.4	Very high	92.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	131.2	177.1	-54.4	-178.8	0	0	0	109.6	S162 W172 E182	S162-L170 PolarHBondContact N-O 3.08Å; S162-L170 PolarHBondContact O-N 3.37Å; S162-L170 PolarHBondContact OG-O 3.43Å; L170-W172 HydrophobicContact CB-CZ2 3.81Å; L170-W172 HydrophobicContact CD1-CH2 4.21Å; L170-W172 HydrophobicContact CD1-CZ2 3.64Å; L170-W172 HydrophobicContact CG-CZ2 4.38Å; L170-E182 HydrophobicContact CD2-CB 3.86Å; L170-E182 VanDerWaalsContact CD2-CD 3.41Å; L170-E182 HydrophobicContact CD2-CG 3.54Å; L170-E182 WeakPolarHBondContact CD2-OE1 3.2Å
171	I	96.4	Very high	92.1	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	127.5	174.2	-42.2	-61.7	0	0	0	109.7	W159 I160 A161 I169 Q179 I180 M181 F183 L204 L218	W159-I171 HydrophobicContact CB-CG2 4.15Å; W159-I171 HydrophobicContact CD2-CG2 4.34Å; W159-I171 HydrophobicContact CE3-CG2 4.31Å; W159-I171 HydrophobicContact CG-CG2 4.32Å; I160-I171 CarbonylContact O-C 3.57Å; I160-I171 WeakPolarHBondContact O-CA 3.08Å; A161-I171 HydrophobicContact CB-CD1 3.66Å; I169-I171 HydrophobicContact CG2-CD1 4.02Å; I171-Q179 CarbonylContact O-C 3.6Å; I171-Q179 WeakPolarHBondContact O-CA 3.45Å; I171-I180 HydrophobicContact CB-CG1 4.26Å; I171-I180 HydrophobicContact CG2-CD1 4.25Å; I171-I180 HydrophobicContact CG2-CG1 4.22Å; I171-I180 WeakPolarHBondContact O-CG1 3.4Å; I171-I180 PolarHBondContact O-N 2.86Å; I171-M181 HydrophobicContact CB-CB 3.98Å; I171-M181 HydrophobicContact CB-CE 4Å; I171-M181 HydrophobicContact CG1-CB 3.85Å; I171-M181 HydrophobicContact CG1-CE 4.07Å; I171-M181 HydrophobicContact CG1-SD 4.48Å; I171-M181 HydrophobicContact CG2-CE 3.82Å; I171-M181 PolarHBondContact N-O 3.43Å; I171-M181 PolarHBondContact O-N 3.35Å; I171-F183 HydrophobicContact CD1-CE2 4.34Å; I171-F183 HydrophobicContact CG1-CD2 4.39Å; I171-F183 HydrophobicContact CG1-CE2 3.9Å; I171-L204 HydrophobicContact CD1-CD2 3.9Å; I171-L218 HydrophobicContact CD1-CD2 4.27Å; I171-L218 HydrophobicContact CG1-CD2 4.28Å
172	W	95.1	Very high	91.9	Very high	13 Å²	13	42.6 Å²	42.6	5%	0.049	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.6	-178.2	-45.1	82.7	0	0	0	109.8	C141 R142 W159 I160 S162 L170 K178 Q179	C141-W172 HydrophobicContact CB-CD2 3.73Å; C141-W172 HydrophobicContact CB-CE3 3.59Å; C141-W172 HydrophobicContact CB-CH2 3.87Å; C141-W172 HydrophobicContact CB-CZ2 3.94Å; C141-W172 HydrophobicContact CB-CZ3 3.66Å; R142-W172 WeakPolarHBondContact O-CH2 3.23Å; W159-W172 CarbonylContact C-O 3.52Å; W159-W172 VanDerWaalsContact CA-O 3.27Å; W159-W172 WeakPolarHBondContact CA-O 3.42Å; I160-W172 HydrophobicContact CB-CB 4.31Å; I160-W172 PolarHBondContact N-O 3.36Å; I160-W172 PolarHBondContact O-N 3.34Å; S162-W172 PolarHBondContact OG-NE1 3.26Å; L170-W172 HydrophobicContact CB-CZ2 3.81Å; L170-W172 HydrophobicContact CD1-CH2 4.21Å; L170-W172 HydrophobicContact CD1-CZ2 3.64Å; L170-W172 HydrophobicContact CG-CZ2 4.38Å; W172-K178 WeakPolarHBondContact CA-O 3.21Å; W172-Q179 HydrophobicContact CD2-CB 4.46Å; W172-Q179 HydrophobicContact CE3-CB 3.83Å; W172-Q179 HydrophobicContact CH2-CB 4.22Å; W172-Q179 HydrophobicContact CZ3-CB 3.7Å
173	D	92.9	Very high	91.6	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	120.9	169	-172.1	-56.7	0	0	0	108.9	W159 R175 K176 S177 K178 I180	W159-D173 PolarHBondContact NE1-OD2 3.33Å; D173-R175 WeakPolarHBondContact OD1-CB 3.41Å; D173-R175 IonicContact OD1-CZ 3.95Å; D173-R175 PolarHBondContact OD1-N 2.91Å; D173-R175 IonicContact OD1-NE 3.39Å; D173-R175 PolarHBondContact OD1-NE 3.41Å; D173-R175 VanDerWaalsContact OD1-NE 3.16Å; D173-R175 IonicContact OD1-NH2 2.69Å; D173-R175 IonicContact OD2-CZ 2.94Å; D173-R175 IonicContact OD2-NE 3.76Å; D173-R175 IonicContact OD2-NH2 2.93Å; D173-R175 PolarHBondContact OD2-NH2 3.24Å; D173-K176 HydrophobicContact CB-CB 4.11Å; D173-K176 HydrophobicContact CB-CD 4.4Å; D173-K176 HydrophobicContact CB-CG 4.35Å; D173-K176 PolarHBondContact OD1-N 2.87Å; D173-K176 VanDerWaalsContact OD1-N 3.07Å; D173-S177 WeakPolarHBondContact O-CA 3.45Å; D173-S177 PolarHBondContact O-N 3.14Å; D173-K178 PolarHBondContact N-O 3.3Å; D173-K178 PolarHBondContact O-N 3.47Å; D173-I180 HydrophobicContact CB-CD1 4.12Å; D173-I180 HydrophobicContact CB-CG1 4.31Å; D173-I180 HydrophobicContact CB-CG2 3.68Å
174	I	90	Very high	91.2	Very high	28 Å²	28	47.3 Å²	47.3	14%	0.144	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-42.5	-174.3	-64.1	162.1	0	0	0	110.5	L128 F153 G157 L158 I160 S177	L128-I174 HydrophobicContact CD2-CG1 4.33Å; L128-I174 HydrophobicContact CD2-CG2 3.78Å; F153-I174 HydrophobicContact CD1-CD1 3.91Å; F153-I174 HydrophobicContact CE1-CD1 3.63Å; G157-I174 VanDerWaalsContact O-CD1 3.28Å; G157-I174 WeakPolarHBondContact O-CD1 3.4Å; L158-I174 WeakPolarHBondContact O-CG1 3.05Å; L158-I174 PolarHBondContact O-N 3.06Å; I160-I174 HydrophobicContact CD1-CD1 4.19Å; I160-I174 HydrophobicContact CD1-CG1 3.89Å; I160-I174 HydrophobicContact CG1-CD1 4.04Å; I160-I174 HydrophobicContact CG1-CG1 4.07Å; I174-S177 PolarHBondContact O-N 2.91Å; I174-S177 VanDerWaalsContact O-N 3.09Å; I174-S177 PolarHBondContact O-OG 3.28Å
175	R	88	Confident	90.2	Very high	158 Å²	158	48.1 Å²	48.1	60%	0.596	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-41	-177.6	-49.7	163.9	-68.1	-170.1	-3.9	111.3	D173 S177	D173-R175 WeakPolarHBondContact OD1-CB 3.41Å; D173-R175 IonicContact OD1-CZ 3.95Å; D173-R175 PolarHBondContact OD1-N 2.91Å; D173-R175 IonicContact OD1-NE 3.39Å; D173-R175 PolarHBondContact OD1-NE 3.41Å; D173-R175 VanDerWaalsContact OD1-NE 3.16Å; D173-R175 IonicContact OD1-NH2 2.69Å; D173-R175 IonicContact OD2-CZ 2.94Å; D173-R175 IonicContact OD2-NE 3.76Å; D173-R175 IonicContact OD2-NH2 2.93Å; D173-R175 PolarHBondContact OD2-NH2 3.24Å; R175-S177 VanDerWaalsContact C-N 3.31Å
176	K	86	Confident	88.8	Confident	149 Å²	149	51.7 Å²	51.7	65%	0.648	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-12.6	174.5	-59	-178.7	-179.6	179.8	0	112.6	D173 K178 I180	D173-K176 HydrophobicContact CB-CB 4.11Å; D173-K176 HydrophobicContact CB-CD 4.4Å; D173-K176 HydrophobicContact CB-CG 4.35Å; D173-K176 PolarHBondContact OD1-N 2.87Å; D173-K176 VanDerWaalsContact OD1-N 3.07Å; K176-K178 PolarHBondContact O-N 3.37Å; K176-I180 HydrophobicContact CD-CG2 4.5Å
177	S	83.9	Confident	87.4	Confident	51 Å²	51	54 Å²	54	36%	0.357	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	40.9	-178.6	-88.6	0	0	0	0	113.6	K139 D173 I174 R175	K139-S177 WeakPolarHBondContact CE-O 3.47Å; K139-S177 PolarHBondContact NZ-O 3.11Å; D173-S177 WeakPolarHBondContact O-CA 3.45Å; D173-S177 PolarHBondContact O-N 3.14Å; I174-S177 PolarHBondContact O-N 2.91Å; I174-S177 VanDerWaalsContact O-N 3.09Å; I174-S177 PolarHBondContact O-OG 3.28Å; R175-S177 VanDerWaalsContact C-N 3.31Å
178	K	89.3	Confident	86.1	Confident	148 Å²	148	57.8 Å²	57.8	64%	0.643	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.5	152.3	-176.5	-161.4	-167	172.1	-175.4	0	111	W172 D173 K176	W172-K178 WeakPolarHBondContact CA-O 3.21Å; D173-K178 PolarHBondContact N-O 3.3Å; D173-K178 PolarHBondContact O-N 3.47Å; K176-K178 PolarHBondContact O-N 3.37Å
179	Q	91.8	Very high	84.9	Confident	52 Å²	52	62.3 Å²	62.3	24%	0.243	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	134.9	159.9	-172.9	178	-36.3	0	0	110	I171 W172 E182	I171-Q179 CarbonylContact O-C 3.6Å; I171-Q179 WeakPolarHBondContact O-CA 3.45Å; W172-Q179 HydrophobicContact CD2-CB 4.46Å; W172-Q179 HydrophobicContact CE3-CB 3.83Å; W172-Q179 HydrophobicContact CH2-CB 4.22Å; W172-Q179 HydrophobicContact CZ3-CB 3.7Å; Q179-E182 PolarHBondContact NE2-OE2 3.21Å
180	I	92.7	Very high	84.3	Confident	53 Å²	53	63.9 Å²	63.9	27%	0.272	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	-22.7	179.8	56.4	156.6	0	0	0	113.7	W159 I171 D173 K176	W159-I180 HydrophobicContact CD2-CD1 4.05Å; W159-I180 VanDerWaalsContact CE2-CD1 3.46Å; W159-I180 HydrophobicContact CG-CD1 4.4Å; W159-I180 HydrophobicContact CH2-CD1 4.39Å; W159-I180 HydrophobicContact CZ2-CD1 3.65Å; I171-I180 HydrophobicContact CB-CG1 4.26Å; I171-I180 HydrophobicContact CG2-CD1 4.25Å; I171-I180 HydrophobicContact CG2-CG1 4.22Å; I171-I180 WeakPolarHBondContact O-CG1 3.4Å; I171-I180 PolarHBondContact O-N 2.86Å; D173-I180 HydrophobicContact CB-CD1 4.12Å; D173-I180 HydrophobicContact CB-CG1 4.31Å; D173-I180 HydrophobicContact CB-CG2 3.68Å; K176-I180 HydrophobicContact CD-CG2 4.5Å
181	M	91.6	Very high	84	Confident	10 Å²	10	64.7 Å²	64.7	5%	0.049	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	153.7	177	-61.5	176.8	-96.5	0	0	109.5	W159 I171 F183 L218 Q221	W159-M181 HydrophobicContact CE3-CE 4.05Å; W159-M181 HydrophobicContact CH2-CE 3.64Å; W159-M181 HydrophobicContact CZ2-CE 4.19Å; W159-M181 HydrophobicContact CZ3-CE 3.58Å; I171-M181 HydrophobicContact CB-CB 3.98Å; I171-M181 HydrophobicContact CB-CE 4Å; I171-M181 HydrophobicContact CG1-CB 3.85Å; I171-M181 HydrophobicContact CG1-CE 4.07Å; I171-M181 HydrophobicContact CG1-SD 4.48Å; I171-M181 HydrophobicContact CG2-CE 3.82Å; I171-M181 PolarHBondContact N-O 3.43Å; I171-M181 PolarHBondContact O-N 3.35Å; M181-F183 HydrophobicContact CB-CE2 4.13Å; M181-F183 HydrophobicContact CB-CZ 4.43Å; M181-F183 HydrophobicContact SD-CE2 4.32Å; M181-F183 HydrophobicContact SD-CZ 4.1Å; M181-L218 HydrophobicContact CE-CB 4.25Å; M181-L218 HydrophobicContact CE-CD2 4.24Å; M181-L218 HydrophobicContact SD-CB 4.38Å; M181-L218 HydrophobicContact SD-CD2 4.29Å; M181-Q221 HydrophobicContact CG-CG 4.11Å; M181-Q221 HydrophobicContact SD-CG 3.86Å
182	E	93	Very high	83.8	Confident	96 Å²	96	64.7 Å²	64.7	45%	0.449	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	126.9	175.7	173.9	153.6	-157.3	0	0	108.4	I169 L170 Q179 I184	I169-E182 CarbonylContact O-C 3.42Å; I169-E182 WeakPolarHBondContact O-CA 3.47Å; L170-E182 HydrophobicContact CD2-CB 3.86Å; L170-E182 VanDerWaalsContact CD2-CD 3.41Å; L170-E182 HydrophobicContact CD2-CG 3.54Å; L170-E182 WeakPolarHBondContact CD2-OE1 3.2Å; Q179-E182 PolarHBondContact NE2-OE2 3.21Å; E182-I184 HydrophobicContact CG-CD1 4.26Å; E182-I184 HydrophobicContact CG-CG1 4.1Å
183	F	89.9	Confident	83.7	Confident	14 Å²	14	65.3 Å²	65.3	6%	0.061	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	108.6	175.3	-56.7	-81.5	0	0	0	108.4	S168 I169 I171 M181 Y216 L218 Q221	S168-F183 WeakPolarHBondContact CA-O 3.19Å; I169-F183 HydrophobicContact CB-CB 4.19Å; I169-F183 HydrophobicContact CB-CD2 4.35Å; I169-F183 PolarHBondContact N-O 3.22Å; I169-F183 PolarHBondContact O-N 3.21Å; I171-F183 HydrophobicContact CD1-CE2 4.34Å; I171-F183 HydrophobicContact CG1-CD2 4.39Å; I171-F183 HydrophobicContact CG1-CE2 3.9Å; M181-F183 HydrophobicContact CB-CE2 4.13Å; M181-F183 HydrophobicContact CB-CZ 4.43Å; M181-F183 HydrophobicContact SD-CE2 4.32Å; M181-F183 HydrophobicContact SD-CZ 4.1Å; F183-Y216 HydrophobicContact CB-CD1 4.13Å; F183-Y216 HydrophobicContact CB-CE1 3.91Å; F183-Y216 AromaticContact CD1-CD1 3.5Å; F183-Y216 HydrophobicContact CD1-CD1 3.5Å; F183-Y216 HydrophobicContact CD1-CE1 4.03Å; F183-Y216 HydrophobicContact CD1-CG 4.15Å; F183-Y216 HydrophobicContact CE1-CD1 4.05Å; F183-Y216 HydrophobicContact CE1-CG 4.45Å; F183-Y216 AromaticContact CG-CD1 3.89Å; F183-Y216 HydrophobicContact CG-CD1 3.89Å; F183-Y216 HydrophobicContact CG-CE1 4.19Å; F183-Y216 HydrophobicContact CG-CG 4.28Å; F183-L218 HydrophobicContact CE2-CD2 3.8Å; F183-L218 HydrophobicContact CZ-CD2 3.99Å; F183-Q221 HydrophobicContact CE1-CB 4.26Å
184	I	86.3	Confident	83.7	Confident	86 Å²	86	65.8 Å²	65.8	44%	0.441	34%	0.344	S	S	.	.			trans	-104.4	142.9	167.3	-62.6	170.9	0	0	0	106.6	E182	E182-I184 HydrophobicContact CG-CD1 4.26Å; E182-I184 HydrophobicContact CG-CG1 4.1Å
185	A	72	Confident	83.9	Confident	16 Å²	16	64.6 Å²	64.6	13%	0.132	34%	0.337	C	S	.	.			trans	-89.4	127.9	166.9	0	0	0	0	0	108.5	P187 P188	A185-P187 CarbonylContact C-O 3.51Å; A185-P187 CarbonylContact O-C 3.53Å; A185-P187 VanDerWaalsContact O-O 3.09Å; A185-P188 WeakPolarHBondContact O-CA 3.14Å
186	D	62.6	Low	84.3	Confident	147 Å²	147	59.3 Å²	59.3	79%	0.786	32%	0.32	S	S	*	.	S	Bend	trans	-104.4	123.1	175.4	-77.4	-43.3	0	0	0	111
187	P	61.8	Low	84.7	Confident	99 Å²	99	52.2 Å²	52.2	64%	0.643	29%	0.289	S	S	*	.	S	Bend	cis	-69.9	156.4	-11	30.8	-34.7	0	0	0	112.3	A185 V189	A185-P187 CarbonylContact C-O 3.51Å; A185-P187 CarbonylContact O-C 3.53Å; A185-P187 VanDerWaalsContact O-O 3.09Å; P187-V189 VanDerWaalsContact C-N 3.33Å; P187-V189 HydrophobicContact CG-CG2 4.22Å; P187-V189 WeakPolarHBondContact O-CG2 3.39Å; P187-V189 PolarHBondContact O-N 2.88Å
188	P	61.9	Low	85	Confident	85 Å²	85	49.8 Å²	49.8	55%	0.552	27%	0.272	S	S	*	.			trans	-75.1	81.7	-179	28.8	-35.2	0	0	0	111.2	A185	A185-P188 WeakPolarHBondContact O-CA 3.14Å
189	V	67.3	Low	84.9	Confident	100 Å²	100	44.5 Å²	44.5	61%	0.606	25%	0.253	S	S	*	.			trans	-72.1	-41.1	-170.4	-162.1	0	0	0	0	113.3	P187	P187-V189 VanDerWaalsContact C-N 3.33Å; P187-V189 HydrophobicContact CG-CG2 4.22Å; P187-V189 WeakPolarHBondContact O-CG2 3.39Å; P187-V189 PolarHBondContact O-N 2.88Å
190	T	83.1	Confident	84.5	Confident	33 Å²	33	45.8 Å²	45.8	20%	0.202	26%	0.258	C	S	.	.	S	Bend	trans	-151.6	151.7	-168.2	48.8	0	0	0	0	114.6	G167 R208 D210	G167-T190 WeakPolarHBondContact CA-O 3.36Å; T190-R208 WeakPolarHBondContact OG1-CD 3.38Å; T190-D210 HydrophobicContact CG2-CB 3.68Å; T190-D210 VanDerWaalsContact OG1-CG 3.24Å; T190-D210 PolarHBondContact OG1-OD1 3.42Å; T190-D210 PolarHBondContact OG1-OD2 2.96Å
191	A	88.9	Confident	84.1	Confident	17 Å²	17	43.9 Å²	43.9	14%	0.14	25%	0.247	C	C	.	.			trans	-57.9	143.6	169.7	0	0	0	0	0	112.9	L165 R208 V209	L165-A191 HydrophobicContact CD1-CB 3.75Å; L165-A191 HydrophobicContact CG-CB 4.25Å; L165-A191 WeakPolarHBondContact O-CA 3.31Å; L165-A191 WeakPolarHBondContact O-CB 3.18Å; A191-R208 WeakPolarHBondContact O-CA 3.17Å; A191-V209 HydrophobicContact CB-CG2 3.9Å; A191-V209 PolarHBondContact O-N 2.84Å
192	I	92.5	Very high	84	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	134.2	169	-62.2	169.1	0	0	0	108.5	N149 A163 G164 G167 I169 V195 A206 G207 R208	N149-I192 WeakPolarHBondContact CB-O 3.38Å; N149-I192 PolarHBondContact ND2-O 3.01Å; A163-I192 HydrophobicContact CB-CB 4.02Å; A163-I192 HydrophobicContact CB-CG2 3.56Å; G164-I192 PolarHBondContact O-N 3.39Å; G167-I192 WeakPolarHBondContact O-CD1 3.38Å; I169-I192 HydrophobicContact CD1-CD1 3.93Å; I169-I192 HydrophobicContact CG1-CD1 3.34Å; I192-V195 HydrophobicContact CG2-CG1 4.03Å; I192-A206 HydrophobicContact CG2-CB 4.28Å; I192-G207 WeakPolarHBondContact CA-O 3.25Å; I192-G207 WeakPolarHBondContact CG2-O 3.37Å; I192-R208 HydrophobicContact CG1-CG 3.96Å
193	T	91.9	Very high	83.9	Confident	27 Å²	27	40.2 Å²	40.2	17%	0.166	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-40.3	-178.4	54	0	0	0	0	112.3	G207 V209 I235	T193-G207 PolarHBondContact N-O 2.92Å; T193-G207 PolarHBondContact OG1-O 3.06Å; T193-G207 VanDerWaalsContact OG1-O 3.12Å; T193-V209 HydrophobicContact CG2-CG2 3.45Å; T193-V209 VanDerWaalsContact CG2-CG2 3.45Å; T193-I235 VanDerWaalsContact CB-O 3.3Å; T193-I235 WeakPolarHBondContact CB-O 3.45Å; T193-I235 WeakPolarHBondContact CG2-O 3.31Å; T193-I235 PolarHBondContact OG1-O 3.07Å
194	C	92.7	Very high	84.1	Confident	13 Å²	13	39.5 Å²	39.5	9%	0.088	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	141.9	-177.3	56.4	0	0	0	0	111.8	A206 G207 I238	C194-A206 WeakPolarHBondContact O-CA 3.5Å; C194-G207 PolarHBondContact O-N 2.98Å; C194-I238 HydrophobicContact CB-CG1 4.44Å
195	V	95.6	Very high	84.4	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	152.4	167.5	-71.6	0	0	0	0	110.8	S150 K152 A161 A163 I169 I192 L204 A205 A206	S150-V195 PolarHBondContact OG-N 3.4Å; S150-V195 VanDerWaalsContact OG-N 3.09Å; K152-V195 VanDerWaalsContact CG-O 3.25Å; K152-V195 WeakPolarHBondContact CG-O 3.44Å; A161-V195 HydrophobicContact CB-CG2 4.32Å; A163-V195 HydrophobicContact CB-CG1 3.67Å; A163-V195 HydrophobicContact CB-CG2 4.18Å; I169-V195 HydrophobicContact CD1-CG1 4.17Å; I169-V195 HydrophobicContact CG1-CG1 4.41Å; I169-V195 HydrophobicContact CG2-CG1 4.46Å; I192-V195 HydrophobicContact CG2-CG1 4.03Å; V195-L204 HydrophobicContact CB-CD1 4.42Å; V195-A205 CarbonylContact C-O 3.59Å; V195-A205 WeakPolarHBondContact CA-O 3.33Å; V195-A206 HydrophobicContact CG1-CB 3.85Å
196	Q	95.1	Very high	85.4	Confident	47 Å²	47	34.7 Å²	34.7	22%	0.22	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	128.9	176.5	-177.9	53.1	53.7	0	0	110.3	K152 A205 I238 F240	K152-Q196 VanDerWaalsContact CE-OE1 3.27Å; Q196-A205 PolarHBondContact N-O 2.78Å; Q196-A205 PolarHBondContact O-N 2.91Å; Q196-I238 HydrophobicContact CB-CD1 4.11Å; Q196-I238 HydrophobicContact CB-CG1 3.86Å; Q196-F240 HydrophobicContact CG-CD2 3.96Å; Q196-F240 HydrophobicContact CG-CE2 4.32Å
197	F	94.1	Very high	86.8	Confident	1 Å²	1	27.7 Å²	27.7	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	145.9	171	-73.2	-86.4	0	0	0	110.8	K152 F153 P155 A161 L204 L218 F240 F329	K152-F197 HydrophobicContact CB-CD2 4Å; K152-F197 HydrophobicContact CB-CE2 4.2Å; F153-F197 WeakPolarHBondContact O-CD2 3.48Å; P155-F197 HydrophobicContact CG-CB 4.39Å; A161-F197 HydrophobicContact CB-CD2 4.41Å; A161-F197 HydrophobicContact CB-CE1 4.49Å; A161-F197 HydrophobicContact CB-CE2 3.47Å; A161-F197 VanDerWaalsContact CB-CE2 3.47Å; A161-F197 HydrophobicContact CB-CZ 3.54Å; F197-L204 HydrophobicContact CB-CD1 4.46Å; F197-L204 HydrophobicContact CD1-CD1 3.77Å; F197-L204 HydrophobicContact CD2-CD1 4.01Å; F197-L204 HydrophobicContact CE1-CD1 4Å; F197-L204 HydrophobicContact CE2-CD1 4.23Å; F197-L204 HydrophobicContact CG-CD1 3.8Å; F197-L204 HydrophobicContact CZ-CD1 4.24Å; F197-L218 HydrophobicContact CD1-CD1 3.79Å; F197-L218 HydrophobicContact CE1-CD1 3.57Å; F197-F240 WeakPolarHBondContact O-CD2 3.4Å; F197-F329 HydrophobicContact CD1-CE2 4.17Å; F197-F329 AromaticContact CD1-CZ 3.71Å; F197-F329 HydrophobicContact CD1-CZ 3.71Å; F197-F329 HydrophobicContact CE1-CZ 4.13Å
198	H	91.1	Very high	88.2	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.132	C	C	.	.			trans	-69.3	134.9	169.2	-172.9	-123.9	0	0	0	110.1	P155 F200 E201 L203 F240 G244 W260	P155-H198 WeakPolarHBondContact CG-O 3.1Å; H198-F200 PolarHBondContact O-N 3.21Å; H198-F200 VanDerWaalsContact O-N 3.16Å; H198-E201 IonicContact CE1-OE2 2.91Å; H198-E201 WeakPolarHBondContact ND1-CB 3.4Å; H198-E201 PolarHBondContact ND1-N 2.89Å; H198-E201 VanDerWaalsContact ND1-N 3.12Å; H198-E201 IonicContact ND1-OE2 3.35Å; H198-L203 HydrophobicContact CB-CB 3.79Å; H198-L203 WeakPolarHBondContact CB-O 3.31Å; H198-L203 PolarHBondContact N-O 2.71Å; H198-F240 HydrophobicContact CB-CD2 4.43Å; H198-F240 HydrophobicContact CB-CE2 3.96Å; H198-F240 HydrophobicContact CB-CZ 3.98Å; H198-F240 AromaticContact CD2-CD1 3.62Å; H198-F240 AromaticContact CD2-CE1 3.64Å; H198-F240 AromaticContact CD2-CG 3.93Å; H198-F240 AromaticContact CD2-CZ 3.98Å; H198-G244 WeakPolarHBondContact NE2-CA 3.16Å; H198-G244 PolarHBondContact NE2-O 3.4Å; H198-W260 AromaticContact NE2-CZ2 3.95Å
199	P	86.3	Confident	89.6	Confident	37 Å²	37	22.2 Å²	22.2	24%	0.24	13%	0.125	C	C	.	.	S	Bend	trans	-61.2	-25.5	-173.2	20.1	-34.5	0	0	0	115.1
200	F	83.3	Confident	90.5	Very high	79 Å²	79	19.4 Å²	19.4	35%	0.346	11%	0.106	S	C	.	.	S	Bend	trans	-124.3	-47	-171.4	-54.7	-54.3	0	0	0	115	H198 D242 S328 F329 T330	H198-F200 PolarHBondContact O-N 3.21Å; H198-F200 VanDerWaalsContact O-N 3.16Å; F200-D242 WeakPolarHBondContact CE2-O 3.31Å; F200-S328 CarbonylContact O-C 3.53Å; F200-S328 WeakPolarHBondContact O-CA 3.45Å; F200-S328 WeakPolarHBondContact O-CB 3.48Å; F200-S328 PolarHBondContact O-OG 2.85Å; F200-F329 PolarHBondContact O-N 3.24Å; F200-T330 HydrophobicContact CD1-CG2 4.31Å
201	E	86.1	Confident	90.6	Very high	12 Å²	12	17.9 Å²	17.9	6%	0.056	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-93.3	161.9	-178.3	-51.2	-179.5	147.4	0	0	112.1	H198 L203 T324 F329	H198-E201 IonicContact CE1-OE2 2.91Å; H198-E201 WeakPolarHBondContact ND1-CB 3.4Å; H198-E201 PolarHBondContact ND1-N 2.89Å; H198-E201 VanDerWaalsContact ND1-N 3.12Å; H198-E201 IonicContact ND1-OE2 3.35Å; E201-L203 HydrophobicContact CB-CG 4.32Å; E201-L203 PolarHBondContact O-N 2.81Å; E201-L203 WeakPolarHBondContact OE2-CD1 3.43Å; E201-T324 VanDerWaalsContact CD-OG1 3.25Å; E201-T324 WeakPolarHBondContact OE1-CB 3.39Å; E201-T324 VanDerWaalsContact OE1-CG2 3.25Å; E201-T324 WeakPolarHBondContact OE1-CG2 3.31Å; E201-T324 PolarHBondContact OE1-OG1 3.02Å; E201-F329 WeakPolarHBondContact O-CD2 3.45Å; E201-F329 WeakPolarHBondContact O-CE2 3.43Å
202	F	88.6	Confident	90.6	Very high	29 Å²	29	17.5 Å²	17.5	13%	0.127	9%	0.093	C	C	.	.	S	Bend	trans	-70.7	46.4	177.1	-90.7	-128.9	0	0	0	113.8	W159 L218 K327 F329	W159-F202 HydrophobicContact CH2-CD1 4.08Å; W159-F202 AromaticContact CH2-CE1 3.56Å; W159-F202 HydrophobicContact CH2-CE1 3.56Å; W159-F202 HydrophobicContact CZ2-CE1 4.46Å; W159-F202 AromaticContact CZ3-CD1 4Å; W159-F202 HydrophobicContact CZ3-CD1 4Å; W159-F202 AromaticContact CZ3-CE1 3.74Å; W159-F202 HydrophobicContact CZ3-CE1 3.74Å; F202-L218 HydrophobicContact CB-CB 4.34Å; F202-L218 HydrophobicContact CD1-CB 4.3Å; F202-L218 WeakPolarHBondContact O-CB 3.41Å; F202-L218 WeakPolarHBondContact O-CG 3.36Å; F202-L218 PolarHBondContact O-N 3.25Å; F202-K327 HydrophobicContact CB-CB 4.47Å; F202-K327 HydrophobicContact CD1-CB 4.26Å; F202-K327 VanDerWaalsContact CD2-C 3.45Å; F202-K327 HydrophobicContact CD2-CB 3.8Å; F202-K327 VanDerWaalsContact CD2-O 3.31Å; F202-K327 WeakPolarHBondContact CD2-O 3.36Å; F202-K327 HydrophobicContact CE1-CB 4.48Å; F202-K327 HydrophobicContact CE2-CB 4.04Å; F202-K327 HydrophobicContact CG-CB 3.92Å; F202-K327 HydrophobicContact CZ-CB 4.39Å; F202-K327 PolarHBondContact N-O 2.64Å; F202-F329 HydrophobicContact CD2-CD1 4.01Å; F202-F329 HydrophobicContact CD2-CD2 4.41Å; F202-F329 HydrophobicContact CD2-CE1 4.06Å; F202-F329 HydrophobicContact CD2-CE2 4.48Å; F202-F329 HydrophobicContact CD2-CG 4.19Å; F202-F329 HydrophobicContact CD2-CZ 4.31Å; F202-F329 AromaticContact CE2-CD1 3.63Å; F202-F329 HydrophobicContact CE2-CD1 3.63Å; F202-F329 AromaticContact CE2-CE1 3.94Å; F202-F329 HydrophobicContact CE2-CE1 3.94Å; F202-F329 HydrophobicContact CE2-CG 4.06Å; F202-F329 HydrophobicContact CG-CE1 4.46Å; F202-F329 HydrophobicContact CG-CZ 4.5Å; F202-F329 HydrophobicContact CZ-CD1 4.14Å; F202-F329 HydrophobicContact CZ-CE1 4.21Å
203	L	90.9	Very high	90.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	147	178.5	-61.5	179.8	0	0	0	111.9	H198 E201 I215 Y216 D217 V224	H198-L203 HydrophobicContact CB-CB 3.79Å; H198-L203 WeakPolarHBondContact CB-O 3.31Å; H198-L203 PolarHBondContact N-O 2.71Å; E201-L203 HydrophobicContact CB-CG 4.32Å; E201-L203 PolarHBondContact O-N 2.81Å; E201-L203 WeakPolarHBondContact OE2-CD1 3.43Å; L203-I215 HydrophobicContact CB-CG2 4.28Å; L203-I215 HydrophobicContact CD1-CG2 4.47Å; L203-I215 HydrophobicContact CD2-CG2 4.48Å; L203-Y216 WeakPolarHBondContact CA-O 3.37Å; L203-D217 HydrophobicContact CD2-CB 4.12Å; L203-V224 HydrophobicContact CD2-CG2 4.22Å
204	L	93.7	Very high	90.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	124.6	173	-176.1	76	0	0	0	110	A161 I169 I171 V195 F197 I215 Y216 L218	A161-L204 HydrophobicContact CB-CD1 3.96Å; A161-L204 HydrophobicContact CB-CD2 4.12Å; I169-L204 HydrophobicContact CD1-CD2 4.22Å; I169-L204 HydrophobicContact CG2-CD2 3.77Å; I171-L204 HydrophobicContact CD1-CD2 3.9Å; V195-L204 HydrophobicContact CB-CD1 4.42Å; F197-L204 HydrophobicContact CB-CD1 4.46Å; F197-L204 HydrophobicContact CD1-CD1 3.77Å; F197-L204 HydrophobicContact CD2-CD1 4.01Å; F197-L204 HydrophobicContact CE1-CD1 4Å; F197-L204 HydrophobicContact CE2-CD1 4.23Å; F197-L204 HydrophobicContact CG-CD1 3.8Å; F197-L204 HydrophobicContact CZ-CD1 4.24Å; L204-I215 WeakPolarHBondContact O-CA 3.42Å; L204-Y216 PolarHBondContact N-O 2.7Å; L204-Y216 PolarHBondContact O-N 3.13Å; L204-L218 HydrophobicContact CB-CD1 4.27Å; L204-L218 HydrophobicContact CB-CD2 4.05Å; L204-L218 HydrophobicContact CB-CG 4.29Å
205	A	93.6	Very high	90.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	144.3	169.9	0	0	0	0	0	110.9	V195 Q196 S214 I215 I238 F240 L247	V195-A205 CarbonylContact C-O 3.59Å; V195-A205 WeakPolarHBondContact CA-O 3.33Å; Q196-A205 PolarHBondContact N-O 2.78Å; Q196-A205 PolarHBondContact O-N 2.91Å; A205-S214 CarbonylContact C-O 3.58Å; A205-S214 WeakPolarHBondContact CA-O 3.4Å; A205-I215 HydrophobicContact CB-CD1 4.25Å; A205-I215 HydrophobicContact CB-CG1 4.12Å; A205-I238 HydrophobicContact CB-CD1 3.89Å; A205-I238 WeakPolarHBondContact O-CD1 3.24Å; A205-F240 HydrophobicContact CB-CE2 3.94Å; A205-F240 HydrophobicContact CB-CZ 3.68Å; A205-L247 HydrophobicContact CB-CD1 4.24Å; A205-L247 HydrophobicContact CB-CD2 3.93Å
206	A	93.3	Very high	90.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	132.7	176.8	0	0	0	0	0	110.6	I169 I192 C194 V195 V213 S214 Y216	I169-A206 HydrophobicContact CD1-CB 3.62Å; I192-A206 HydrophobicContact CG2-CB 4.28Å; C194-A206 WeakPolarHBondContact O-CA 3.5Å; V195-A206 HydrophobicContact CG1-CB 3.85Å; A206-V213 CarbonylContact O-C 3.58Å; A206-V213 WeakPolarHBondContact O-CA 3.26Å; A206-S214 PolarHBondContact N-O 3.38Å; A206-S214 PolarHBondContact O-N 2.96Å; A206-Y216 HydrophobicContact CB-CE2 4.15Å
207	G	91.9	Very high	90	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	140.1	175.1	0	0	0	0	0	111.9	I192 T193 C194	I192-G207 WeakPolarHBondContact CA-O 3.25Å; I192-G207 WeakPolarHBondContact CG2-O 3.37Å; T193-G207 PolarHBondContact N-O 2.92Å; T193-G207 PolarHBondContact OG1-O 3.06Å; T193-G207 VanDerWaalsContact OG1-O 3.12Å; C194-G207 PolarHBondContact O-N 2.98Å
208	R	91.3	Very high	89.8	Confident	5 Å²	5	14 Å²	14	2%	0.019	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	167.3	-175.1	-64	-171.9	-155.8	168.8	3.7	114	T190 A191 I192 D210 G211 T212 S214 Y216 I235	T190-R208 WeakPolarHBondContact OG1-CD 3.38Å; A191-R208 WeakPolarHBondContact O-CA 3.17Å; I192-R208 HydrophobicContact CG1-CG 3.96Å; R208-D210 WeakPolarHBondContact CB-OD1 3.37Å; R208-G211 PolarHBondContact O-N 3.34Å; R208-T212 WeakPolarHBondContact CB-O 3.42Å; R208-T212 PolarHBondContact N-O 3.41Å; R208-S214 PolarHBondContact NH2-OG 2.73Å; R208-Y216 PolarHBondContact NH2-OH 3.44Å; R208-I235 PolarHBondContact O-N 3.07Å; R208-I235 VanDerWaalsContact O-N 3.15Å
209	V	89.5	Confident	89.5	Confident	64 Å²	64	16.6 Å²	16.6	39%	0.388	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-24.9	-179.8	175.8	0	0	0	0	113.8	A191 T193 G211 A234	A191-V209 HydrophobicContact CB-CG2 3.9Å; A191-V209 PolarHBondContact O-N 2.84Å; T193-V209 HydrophobicContact CG2-CG2 3.45Å; T193-V209 VanDerWaalsContact CG2-CG2 3.45Å; V209-G211 PolarHBondContact O-N 3.45Å; V209-A234 HydrophobicContact CG1-CB 4.21Å; V209-A234 WeakPolarHBondContact O-CA 3.05Å; V209-A234 VanDerWaalsContact O-CB 3.31Å; V209-A234 WeakPolarHBondContact O-CB 3.28Å; V209-A234 PolarHBondContact O-N 3.39Å
210	D	86.9	Confident	89.4	Confident	42 Å²	42	20.2 Å²	20.2	23%	0.225	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-6	170.1	55.4	-1.6	0	0	0	113.6	T190 R208 T212 G232	T190-D210 HydrophobicContact CG2-CB 3.68Å; T190-D210 VanDerWaalsContact OG1-CG 3.24Å; T190-D210 PolarHBondContact OG1-OD1 3.42Å; T190-D210 PolarHBondContact OG1-OD2 2.96Å; R208-D210 WeakPolarHBondContact CB-OD1 3.37Å; D210-T212 WeakPolarHBondContact OD1-CB 2.97Å; D210-T212 PolarHBondContact OD1-N 3.13Å; D210-T212 PolarHBondContact OD1-OG1 2.86Å; D210-T212 PolarHBondContact OD2-OG1 3.17Å; D210-G232 CarbonylContact O-C 3.56Å; D210-G232 WeakPolarHBondContact O-CA 3.33Å
211	G	86.2	Confident	89.6	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	81.7	11.1	-170.2	0	0	0	0	0	114.1	R208 V209 F230 Q233	R208-G211 PolarHBondContact O-N 3.34Å; V209-G211 PolarHBondContact O-N 3.45Å; G211-F230 WeakPolarHBondContact O-CB 3.43Å; G211-F230 WeakPolarHBondContact O-CD2 3.42Å; G211-F230 WeakPolarHBondContact O-CG 3.29Å; G211-Q233 WeakPolarHBondContact CA-O 3.32Å
212	T	89.1	Confident	89.6	Confident	9 Å²	9	27.5 Å²	27.5	6%	0.055	13%	0.134	C	C	.	.			trans	-72.8	128.4	169.5	-63.9	0	0	0	0	110	R208 D210 Q226 T228 I235	R208-T212 WeakPolarHBondContact CB-O 3.42Å; R208-T212 PolarHBondContact N-O 3.41Å; D210-T212 WeakPolarHBondContact OD1-CB 2.97Å; D210-T212 PolarHBondContact OD1-N 3.13Å; D210-T212 PolarHBondContact OD1-OG1 2.86Å; D210-T212 PolarHBondContact OD2-OG1 3.17Å; T212-Q226 HydrophobicContact CG2-CG 3.42Å; T212-Q226 VanDerWaalsContact CG2-CG 3.42Å; T212-T228 HydrophobicContact CG2-CG2 4.36Å; T212-I235 VanDerWaalsContact O-CD1 3.29Å; T212-I235 WeakPolarHBondContact O-CD1 3.43Å
213	V	91	Very high	89.5	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.4	163.1	-173.6	0	0	0	0	107.7	A206 Q226 T227 F230 I235 L247 V249 I258	A206-V213 CarbonylContact O-C 3.58Å; A206-V213 WeakPolarHBondContact O-CA 3.26Å; V213-Q226 CarbonylContact O-C 3.52Å; V213-Q226 VanDerWaalsContact O-CA 3.26Å; V213-Q226 WeakPolarHBondContact O-CA 3.3Å; V213-T227 PolarHBondContact N-O 3.14Å; V213-T227 PolarHBondContact O-N 3.3Å; V213-F230 HydrophobicContact CG2-CD2 4.36Å; V213-F230 HydrophobicContact CG2-CE2 3.56Å; V213-F230 HydrophobicContact CG2-CZ 3.98Å; V213-I235 HydrophobicContact CG2-CD1 3.55Å; V213-L247 HydrophobicContact CG1-CD2 3.86Å; V213-V249 HydrophobicContact CG2-CB 4.45Å; V213-V249 HydrophobicContact CG2-CG1 3.81Å; V213-V249 HydrophobicContact CG2-CG2 3.97Å; V213-I258 HydrophobicContact CB-CD1 4.37Å; V213-I258 HydrophobicContact CG2-CD1 3.92Å
214	S	91	Very high	89.1	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.9	173.3	-63.5	0	0	0	0	109.8	A205 A206 R208 Y216	A205-S214 CarbonylContact C-O 3.58Å; A205-S214 WeakPolarHBondContact CA-O 3.4Å; A206-S214 PolarHBondContact N-O 3.38Å; A206-S214 PolarHBondContact O-N 2.96Å; R208-S214 PolarHBondContact NH2-OG 2.73Å; S214-Y216 VanDerWaalsContact CB-CE2 3.43Å
215	I	91.6	Very high	88.7	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.2	171.2	-55.8	-160	0	0	0	109.2	L203 L204 A205 V224 S225 L247 W260	L203-I215 HydrophobicContact CB-CG2 4.28Å; L203-I215 HydrophobicContact CD1-CG2 4.47Å; L203-I215 HydrophobicContact CD2-CG2 4.48Å; L204-I215 WeakPolarHBondContact O-CA 3.42Å; A205-I215 HydrophobicContact CB-CD1 4.25Å; A205-I215 HydrophobicContact CB-CG1 4.12Å; I215-V224 PolarHBondContact O-N 3.16Å; I215-S225 PolarHBondContact N-O 3.12Å; I215-S225 PolarHBondContact O-N 3.45Å; I215-L247 HydrophobicContact CD1-CD2 4Å; I215-W260 HydrophobicContact CD1-CB 3.73Å; I215-W260 HydrophobicContact CD1-CD2 3.79Å; I215-W260 HydrophobicContact CD1-CE3 3.83Å; I215-W260 HydrophobicContact CD1-CG 3.76Å
216	Y	91.1	Very high	88.3	Confident	9 Å²	9	36.4 Å²	36.4	4%	0.035	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	141.1	-177.6	-59.7	-91.1	0	0	0	110.6	I169 F183 L203 L204 A206 R208 S214 Q222 L223	I169-Y216 HydrophobicContact CD1-CD2 3.95Å; I169-Y216 HydrophobicContact CD1-CE2 3.57Å; F183-Y216 HydrophobicContact CB-CD1 4.13Å; F183-Y216 HydrophobicContact CB-CE1 3.91Å; F183-Y216 AromaticContact CD1-CD1 3.5Å; F183-Y216 HydrophobicContact CD1-CD1 3.5Å; F183-Y216 HydrophobicContact CD1-CE1 4.03Å; F183-Y216 HydrophobicContact CD1-CG 4.15Å; F183-Y216 HydrophobicContact CE1-CD1 4.05Å; F183-Y216 HydrophobicContact CE1-CG 4.45Å; F183-Y216 AromaticContact CG-CD1 3.89Å; F183-Y216 HydrophobicContact CG-CD1 3.89Å; F183-Y216 HydrophobicContact CG-CE1 4.19Å; F183-Y216 HydrophobicContact CG-CG 4.28Å; L203-Y216 WeakPolarHBondContact CA-O 3.37Å; L204-Y216 PolarHBondContact N-O 2.7Å; L204-Y216 PolarHBondContact O-N 3.13Å; A206-Y216 HydrophobicContact CB-CE2 4.15Å; R208-Y216 PolarHBondContact NH2-OH 3.44Å; S214-Y216 VanDerWaalsContact CB-CE2 3.43Å; Y216-Q222 CarbonylContact C-O 3.58Å; Y216-Q222 WeakPolarHBondContact CA-O 3.38Å; Y216-L223 HydrophobicContact CD1-CB 4.32Å; Y216-L223 HydrophobicContact CD1-CD1 4.07Å; Y216-L223 HydrophobicContact CE1-CB 4.32Å; Y216-L223 HydrophobicContact CE1-CD1 3.78Å; Y216-L223 HydrophobicContact CE2-CD1 4.46Å
217	D	89.6	Confident	87.8	Confident	3 Å²	3	36.4 Å²	36.4	2%	0.016	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	121.2	167.5	-178.8	9.1	0	0	0	109.9	L203 E219 H220 Q221 Q222 V224 R326	L203-D217 HydrophobicContact CD2-CB 4.12Å; D217-E219 VanDerWaalsContact C-N 3.34Å; D217-E219 WeakPolarHBondContact OD1-CB 3.47Å; D217-E219 PolarHBondContact OD1-N 2.95Å; D217-H220 IonicContact OD2-CE1 2.7Å; D217-H220 IonicContact OD2-CG 2.95Å; D217-H220 IonicContact OD2-ND1 3.25Å; D217-H220 PolarHBondContact OD2-ND1 3.08Å; D217-Q221 WeakPolarHBondContact O-CA 3.47Å; D217-Q221 PolarHBondContact O-N 3.25Å; D217-Q222 PolarHBondContact N-O 2.88Å; D217-Q222 PolarHBondContact O-N 3.37Å; D217-V224 HydrophobicContact CB-CG2 3.66Å; D217-R326 VanDerWaalsContact CG-NH1 3.3Å; D217-R326 IonicContact OD2-CZ 3.28Å; D217-R326 IonicContact OD2-NH1 2.71Å; D217-R326 PolarHBondContact OD2-NH1 3.36Å
218	L	89.4	Confident	87.1	Confident	5 Å²	5	40.5 Å²	40.5	3%	0.026	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-12.4	-179.6	-55.3	169.8	0	0	0	112.6	W159 I171 M181 F183 F197 F202 L204 F329	W159-L218 HydrophobicContact CE3-CD1 4.5Å; W159-L218 HydrophobicContact CZ3-CB 4.05Å; W159-L218 HydrophobicContact CZ3-CD1 4.24Å; I171-L218 HydrophobicContact CD1-CD2 4.27Å; I171-L218 HydrophobicContact CG1-CD2 4.28Å; M181-L218 HydrophobicContact CE-CB 4.25Å; M181-L218 HydrophobicContact CE-CD2 4.24Å; M181-L218 HydrophobicContact SD-CB 4.38Å; M181-L218 HydrophobicContact SD-CD2 4.29Å; F183-L218 HydrophobicContact CE2-CD2 3.8Å; F183-L218 HydrophobicContact CZ-CD2 3.99Å; F197-L218 HydrophobicContact CD1-CD1 3.79Å; F197-L218 HydrophobicContact CE1-CD1 3.57Å; F202-L218 HydrophobicContact CB-CB 4.34Å; F202-L218 HydrophobicContact CD1-CB 4.3Å; F202-L218 WeakPolarHBondContact O-CB 3.41Å; F202-L218 WeakPolarHBondContact O-CG 3.36Å; F202-L218 PolarHBondContact O-N 3.25Å; L204-L218 HydrophobicContact CB-CD1 4.27Å; L204-L218 HydrophobicContact CB-CD2 4.05Å; L204-L218 HydrophobicContact CB-CG 4.29Å; L218-F329 HydrophobicContact CD1-CZ 3.94Å
219	E	86	Confident	86	Confident	54 Å²	54	44.6 Å²	44.6	25%	0.252	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-47.6	174.6	-177.3	168.2	-168	0	0	111.6	D217 R326 K327	D217-E219 VanDerWaalsContact C-N 3.34Å; D217-E219 WeakPolarHBondContact OD1-CB 3.47Å; D217-E219 PolarHBondContact OD1-N 2.95Å; E219-R326 WeakPolarHBondContact OE2-CA 3.4Å; E219-K327 HydrophobicContact CG-CD 4.46Å; E219-K327 WeakPolarHBondContact OE1-CG 3.39Å; E219-K327 IonicContact OE1-NZ 2.7Å; E219-K327 PolarHBondContact OE1-NZ 3.42Å; E219-K327 PolarHBondContact OE2-N 2.88Å
220	H	83.7	Confident	85	Confident	113 Å²	113	41.8 Å²	41.8	52%	0.523	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-5.3	-178.9	-59	90.2	0	0	0	114	D217	D217-H220 IonicContact OD2-CE1 2.7Å; D217-H220 IonicContact OD2-CG 2.95Å; D217-H220 IonicContact OD2-ND1 3.25Å; D217-H220 PolarHBondContact OD2-ND1 3.08Å
221	Q	86.6	Confident	84	Confident	114 Å²	114	49.9 Å²	49.9	53%	0.533	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	43.7	-177.8	-52.1	-174.8	13.3	0	0	113.1	M181 F183 D217	M181-Q221 HydrophobicContact CG-CG 4.11Å; M181-Q221 HydrophobicContact SD-CG 3.86Å; F183-Q221 HydrophobicContact CE1-CB 4.26Å; D217-Q221 WeakPolarHBondContact O-CA 3.47Å; D217-Q221 PolarHBondContact O-N 3.25Å
222	Q	86.2	Confident	83.4	Confident	130 Å²	130	52.4 Å²	52.4	61%	0.607	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.5	154.4	-175.2	-72.4	178.5	12.4	0	0	112.7	Y216 D217	Y216-Q222 CarbonylContact C-O 3.58Å; Y216-Q222 WeakPolarHBondContact CA-O 3.38Å; D217-Q222 PolarHBondContact N-O 2.88Å; D217-Q222 PolarHBondContact O-N 3.37Å
223	L	86.3	Confident	83.2	Confident	81 Å²	81	55.6 Å²	55.6	42%	0.424	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	124.2	170.8	-178.5	70.4	0	0	0	109.6	Y216 S225 Q226	Y216-L223 HydrophobicContact CD1-CB 4.32Å; Y216-L223 HydrophobicContact CD1-CD1 4.07Å; Y216-L223 HydrophobicContact CE1-CB 4.32Å; Y216-L223 HydrophobicContact CE1-CD1 3.78Å; Y216-L223 HydrophobicContact CE2-CD1 4.46Å; L223-S225 WeakPolarHBondContact CD1-O 3.33Å; L223-Q226 HydrophobicContact CD2-CB 4.27Å
224	V	83.9	Confident	83	Confident	46 Å²	46	56.3 Å²	56.3	28%	0.279	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-43.5	-179.9	-179.5	0	0	0	0	111.5	L203 I215 D217 E261	L203-V224 HydrophobicContact CD2-CG2 4.22Å; I215-V224 PolarHBondContact O-N 3.16Å; D217-V224 HydrophobicContact CB-CG2 3.66Å; V224-E261 HydrophobicContact CG1-CG 4.31Å
225	S	84.3	Confident	83	Confident	8 Å²	8	56.3 Å²	56.3	6%	0.056	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	150.4	-174.4	139.2	0	0	0	0	110.2	I215 L223 D263	I215-S225 PolarHBondContact N-O 3.12Å; I215-S225 PolarHBondContact O-N 3.45Å; L223-S225 WeakPolarHBondContact CD1-O 3.33Å; S225-D263 WeakPolarHBondContact CB-OD2 3.38Å; S225-D263 PolarHBondContact OG-OD2 3.45Å
226	Q	85.3	Confident	82.9	Confident	81 Å²	81	62.3 Å²	62.3	38%	0.379	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	91.2	178.5	-173.1	175.4	-44.5	0	0	110.8	T212 V213 L223 T228 D263	T212-Q226 HydrophobicContact CG2-CG 3.42Å; T212-Q226 VanDerWaalsContact CG2-CG 3.42Å; V213-Q226 CarbonylContact O-C 3.52Å; V213-Q226 VanDerWaalsContact O-CA 3.26Å; V213-Q226 WeakPolarHBondContact O-CA 3.3Å; L223-Q226 HydrophobicContact CD2-CB 4.27Å; Q226-T228 HydrophobicContact CG-CG2 4.4Å; Q226-D263 VanDerWaalsContact C-OD2 3.3Å; Q226-D263 PolarHBondContact N-OD2 2.92Å
227	T	82.3	Confident	82.8	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	120.1	-177.2	-41.9	0	0	0	0	111	V213 H229 F230 I258 D263	V213-T227 PolarHBondContact N-O 3.14Å; V213-T227 PolarHBondContact O-N 3.3Å; T227-H229 HydrophobicContact CG2-CB 4.48Å; T227-H229 WeakPolarHBondContact CG2-ND1 3.46Å; T227-F230 HydrophobicContact CG2-CE2 4.4Å; T227-I258 HydrophobicContact CG2-CD1 3.66Å; T227-I258 HydrophobicContact CG2-CG1 4.12Å; T227-D263 WeakPolarHBondContact CB-OD1 3.42Å; T227-D263 WeakPolarHBondContact CG2-OD1 3.39Å; T227-D263 PolarHBondContact N-OD2 3.34Å; T227-D263 PolarHBondContact OG1-OD1 2.93Å; T227-D263 PolarHBondContact OG1-OD2 3.17Å
228	T	78.6	Confident	83	Confident	85 Å²	85	62.5 Å²	62.5	52%	0.521	31%	0.308	S	S	.	.			trans	-115.1	12.9	-175.8	55.2	0	0	0	0	114.4	T212 Q226 F230	T212-T228 HydrophobicContact CG2-CG2 4.36Å; Q226-T228 HydrophobicContact CG-CG2 4.4Å; T228-F230 PolarHBondContact O-N 3.3Å
229	H	67.1	Low	83.1	Confident	92 Å²	92	63.3 Å²	63.3	43%	0.426	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	5.2	-171.9	-62.8	106.2	0	0	0	116.4	T227 Y231	T227-H229 HydrophobicContact CG2-CB 4.48Å; T227-H229 WeakPolarHBondContact CG2-ND1 3.46Å; H229-Y231 WeakPolarHBondContact O-CD2 3.37Å; H229-Y231 WeakPolarHBondContact O-CE2 3.42Å
230	F	68.9	Low	83.3	Confident	5 Å²	5	61.3 Å²	61.3	2%	0.022	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	6.8	-167.4	-64.7	-93.5	0	0	0	115.5	G211 V213 T227 T228 G232 Q233 V249 S256 I258	G211-F230 WeakPolarHBondContact O-CB 3.43Å; G211-F230 WeakPolarHBondContact O-CD2 3.42Å; G211-F230 WeakPolarHBondContact O-CG 3.29Å; V213-F230 HydrophobicContact CG2-CD2 4.36Å; V213-F230 HydrophobicContact CG2-CE2 3.56Å; V213-F230 HydrophobicContact CG2-CZ 3.98Å; T227-F230 HydrophobicContact CG2-CE2 4.4Å; T228-F230 PolarHBondContact O-N 3.3Å; F230-G232 VanDerWaalsContact C-N 3.33Å; F230-G232 PolarHBondContact O-N 3.02Å; F230-Q233 VanDerWaalsContact O-CB 3.29Å; F230-Q233 WeakPolarHBondContact O-CB 3.11Å; F230-Q233 VanDerWaalsContact O-CG 3.32Å; F230-Q233 WeakPolarHBondContact O-CG 3.39Å; F230-Q233 PolarHBondContact O-N 2.9Å; F230-V249 HydrophobicContact CE1-CB 4.11Å; F230-V249 HydrophobicContact CE1-CG1 3.63Å; F230-V249 HydrophobicContact CE2-CG1 4.36Å; F230-V249 HydrophobicContact CZ-CB 3.8Å; F230-V249 HydrophobicContact CZ-CG1 3.49Å; F230-V249 VanDerWaalsContact CZ-CG1 3.49Å; F230-V249 HydrophobicContact CZ-CG2 4.47Å; F230-S256 VanDerWaalsContact CE1-OG 3.25Å; F230-S256 WeakPolarHBondContact CE1-OG 3.42Å; F230-I258 HydrophobicContact CE2-CD1 3.72Å; F230-I258 HydrophobicContact CZ-CD1 3.64Å
231	Y	67.1	Low	83.5	Confident	211 Å²	211	56.3 Å²	56.3	83%	0.827	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	42.6	173.6	-54.9	-94.3	0	0	0	114.5	H229 Q233	H229-Y231 WeakPolarHBondContact O-CD2 3.37Å; H229-Y231 WeakPolarHBondContact O-CE2 3.42Å; Y231-Q233 VanDerWaalsContact C-N 3.27Å; Y231-Q233 PolarHBondContact O-N 3.48Å; Y231-Q233 PolarHBondContact O-NE2 2.93Å
232	G	73.3	Confident	83.2	Confident	53 Å²	53	54.8 Å²	54.8	55%	0.546	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	6.5	179.4	0	0	0	0	0	115.2	D210 F230 A234	D210-G232 CarbonylContact O-C 3.56Å; D210-G232 WeakPolarHBondContact O-CA 3.33Å; F230-G232 VanDerWaalsContact C-N 3.33Å; F230-G232 PolarHBondContact O-N 3.02Å; G232-A234 PolarHBondContact O-N 3.23Å
233	Q	83.9	Confident	82.9	Confident	77 Å²	77	52.9 Å²	52.9	36%	0.36	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-82.6	116.2	-178.8	-62.1	-50.4	-66.1	0	0	111.5	G211 F230 Y231 I235 S252	G211-Q233 WeakPolarHBondContact CA-O 3.32Å; F230-Q233 VanDerWaalsContact O-CB 3.29Å; F230-Q233 WeakPolarHBondContact O-CB 3.11Å; F230-Q233 VanDerWaalsContact O-CG 3.32Å; F230-Q233 WeakPolarHBondContact O-CG 3.39Å; F230-Q233 PolarHBondContact O-N 2.9Å; Y231-Q233 VanDerWaalsContact C-N 3.27Å; Y231-Q233 PolarHBondContact O-N 3.48Å; Y231-Q233 PolarHBondContact O-NE2 2.93Å; Q233-I235 PolarHBondContact O-N 3.12Å; Q233-S252 PolarHBondContact OE1-OG 3.38Å
234	A	87.6	Confident	82.6	Confident	14 Å²	14	49.1 Å²	49.1	12%	0.116	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-56.6	124.1	-179.9	0	0	0	0	0	112.8	V209 G232	V209-A234 HydrophobicContact CG1-CB 4.21Å; V209-A234 WeakPolarHBondContact O-CA 3.05Å; V209-A234 VanDerWaalsContact O-CB 3.31Å; V209-A234 WeakPolarHBondContact O-CB 3.28Å; V209-A234 PolarHBondContact O-N 3.39Å; G232-A234 PolarHBondContact O-N 3.23Å
235	I	90.6	Very high	82.3	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-69.2	136.6	174	-66	151.8	0	0	0	108.9	T193 R208 T212 V213 Q233 I238 V249	T193-I235 VanDerWaalsContact CB-O 3.3Å; T193-I235 WeakPolarHBondContact CB-O 3.45Å; T193-I235 WeakPolarHBondContact CG2-O 3.31Å; T193-I235 PolarHBondContact OG1-O 3.07Å; R208-I235 PolarHBondContact O-N 3.07Å; R208-I235 VanDerWaalsContact O-N 3.15Å; T212-I235 VanDerWaalsContact O-CD1 3.29Å; T212-I235 WeakPolarHBondContact O-CD1 3.43Å; V213-I235 HydrophobicContact CG2-CD1 3.55Å; Q233-I235 PolarHBondContact O-N 3.12Å; I235-I238 HydrophobicContact CG2-CG2 3.68Å; I235-V249 HydrophobicContact CB-CG1 4.47Å; I235-V249 HydrophobicContact CD1-CG1 4.09Å; I235-V249 HydrophobicContact CG1-CG1 3.75Å; I235-V249 HydrophobicContact CG2-CG1 3.87Å
236	R	89.1	Confident	82.3	Confident	127 Å²	127	50 Å²	50	48%	0.479	25%	0.252	S	S	.	.			trans	-103.6	-41.7	180	-61.3	-52.8	-174.1	-154.5	0.8	112.7	G250 L276	R236-G250 PolarHBondContact N-O 3.24Å; R236-L276 WeakPolarHBondContact CB-O 3.42Å
237	C	90.4	Very high	82.5	Confident	6 Å²	6	46.1 Å²	46.1	4%	0.041	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	152.7	-178.5	46.3	0	0	0	0	110.1	G250	C237-G250 PolarHBondContact O-N 3.35Å
238	I	92.9	Very high	82.9	Confident	9 Å²	9	46.1 Å²	46.1	5%	0.046	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	141.3	176.3	61	-177	0	0	0	108.6	C194 Q196 A205 I235 L247 F248 V249	C194-I238 HydrophobicContact CB-CG1 4.44Å; Q196-I238 HydrophobicContact CB-CD1 4.11Å; Q196-I238 HydrophobicContact CB-CG1 3.86Å; A205-I238 HydrophobicContact CB-CD1 3.89Å; A205-I238 WeakPolarHBondContact O-CD1 3.24Å; I235-I238 HydrophobicContact CG2-CG2 3.68Å; I238-L247 HydrophobicContact CB-CD1 4.31Å; I238-F248 WeakPolarHBondContact CA-O 3.13Å; I238-V249 HydrophobicContact CG2-CB 4.32Å; I238-V249 HydrophobicContact CG2-CG1 4.04Å; I238-V249 HydrophobicContact CG2-CG2 3.93Å
239	T	91.3	Very high	83.4	Confident	23 Å²	23	42.1 Å²	42.1	14%	0.141	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	134.4	178.3	-162.2	0	0	0	0	110.4	F248 M279 V281 L286	T239-F248 HydrophobicContact CG2-CB 3.99Å; T239-F248 HydrophobicContact CG2-CD2 4.27Å; T239-F248 PolarHBondContact N-O 3.41Å; T239-F248 PolarHBondContact O-N 3.36Å; T239-M279 WeakPolarHBondContact CB-O 3.49Å; T239-M279 HydrophobicContact CG2-CB 3.84Å; T239-M279 HydrophobicContact CG2-CE 4.36Å; T239-V281 HydrophobicContact CG2-CG2 4.22Å; T239-L286 HydrophobicContact CG2-CD1 3.78Å
240	F	90.4	Very high	84.5	Confident	11 Å²	11	37.7 Å²	37.7	5%	0.048	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	153.2	175.6	-73.4	-78.7	0	0	0	110.5	Q196 F197 H198 A205 L247 W260	Q196-F240 HydrophobicContact CG-CD2 3.96Å; Q196-F240 HydrophobicContact CG-CE2 4.32Å; F197-F240 WeakPolarHBondContact O-CD2 3.4Å; H198-F240 HydrophobicContact CB-CD2 4.43Å; H198-F240 HydrophobicContact CB-CE2 3.96Å; H198-F240 HydrophobicContact CB-CZ 3.98Å; H198-F240 AromaticContact CD2-CD1 3.62Å; H198-F240 AromaticContact CD2-CE1 3.64Å; H198-F240 AromaticContact CD2-CG 3.93Å; H198-F240 AromaticContact CD2-CZ 3.98Å; A205-F240 HydrophobicContact CB-CE2 3.94Å; A205-F240 HydrophobicContact CB-CZ 3.68Å; F240-L247 HydrophobicContact CD1-CB 4.05Å; F240-L247 HydrophobicContact CD1-CD1 3.72Å; F240-L247 HydrophobicContact CD1-CG 4.48Å; F240-L247 HydrophobicContact CD2-CD1 4.14Å; F240-L247 HydrophobicContact CE1-CB 4.08Å; F240-L247 HydrophobicContact CE1-CD1 3.77Å; F240-L247 HydrophobicContact CE1-CG 4.38Å; F240-L247 HydrophobicContact CE2-CD1 4.16Å; F240-L247 HydrophobicContact CG-CD1 3.93Å; F240-L247 HydrophobicContact CZ-CD1 4.01Å; F240-W260 AromaticContact CD1-CH2 3.76Å; F240-W260 HydrophobicContact CD1-CH2 3.76Å; F240-W260 AromaticContact CD1-CZ3 3.99Å; F240-W260 HydrophobicContact CD1-CZ3 3.99Å; F240-W260 HydrophobicContact CE1-CE3 4.37Å; F240-W260 AromaticContact CE1-CH2 3.58Å; F240-W260 HydrophobicContact CE1-CH2 3.58Å; F240-W260 HydrophobicContact CE1-CZ2 4.15Å; F240-W260 AromaticContact CE1-CZ3 3.7Å; F240-W260 HydrophobicContact CE1-CZ3 3.7Å
241	S	86.8	Confident	85.4	Confident	9 Å²	9	37.5 Å²	37.5	6%	0.063	19%	0.189	C	C	.	.			trans	-57.6	149.7	162.4	60.4	0	0	0	0	112	N243 G244 E245 C246	S241-N243 PolarHBondContact O-N 3.35Å; S241-G244 PolarHBondContact O-N 3.44Å; S241-G244 PolarHBondContact OG-N 2.98Å; S241-E245 PolarHBondContact OG-N 3.5Å; S241-C246 PolarHBondContact N-O 2.66Å; S241-C246 PolarHBondContact OG-N 2.88Å; S241-C246 VanDerWaalsContact OG-N 3.15Å; S241-C246 PolarHBondContact OG-O 3.48Å
242	D	81.9	Confident	86	Confident	81 Å²	81	29.7 Å²	29.7	43%	0.433	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-28.6	175	-59.2	-20.4	0	0	0	112.9	F200 V281	F200-D242 WeakPolarHBondContact CE2-O 3.31Å; D242-V281 WeakPolarHBondContact OD1-CB 3.25Å; D242-V281 WeakPolarHBondContact OD1-CG1 3.47Å; D242-V281 WeakPolarHBondContact OD2-CG1 3.2Å
243	N	78.4	Confident	86.4	Confident	90 Å²	90	29.2 Å²	29.2	48%	0.481	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-12.7	-179.4	-57.8	-4.8	0	0	0	114.1	S241 E245 N322	S241-N243 PolarHBondContact O-N 3.35Å; N243-E245 VanDerWaalsContact C-N 3.28Å; N243-E245 HydrophobicContact CB-CB 4.39Å; N243-E245 HydrophobicContact CB-CG 3.66Å; N243-E245 VanDerWaalsContact CB-OE2 3.29Å; N243-E245 WeakPolarHBondContact CB-OE2 3.18Å; N243-E245 PolarHBondContact ND2-OE2 3.26Å; N243-E245 PolarHBondContact O-N 2.98Å; N243-N322 PolarHBondContact O-ND2 2.87Å
244	G	80.3	Confident	86.4	Confident	2 Å²	2	25.6 Å²	25.6	2%	0.021	14%	0.136	C	C	.	.	S	Bend	trans	71	15.9	-170.6	0	0	0	0	0	115.1	H198 S241 W260	H198-G244 WeakPolarHBondContact NE2-CA 3.16Å; H198-G244 PolarHBondContact NE2-O 3.4Å; S241-G244 PolarHBondContact O-N 3.44Å; S241-G244 PolarHBondContact OG-N 2.98Å; G244-W260 WeakPolarHBondContact O-CH2 3.36Å; G244-W260 WeakPolarHBondContact O-CZ2 3.38Å
245	E	77.8	Confident	86.5	Confident	68 Å²	68	24.9 Å²	24.9	32%	0.318	13%	0.131	S	C	.	.	S	Bend	trans	-91.5	-26.6	-173	-57.9	171.6	128.8	0	0	112.8	S241 N243 F309	S241-E245 PolarHBondContact OG-N 3.5Å; N243-E245 VanDerWaalsContact C-N 3.28Å; N243-E245 HydrophobicContact CB-CB 4.39Å; N243-E245 HydrophobicContact CB-CG 3.66Å; N243-E245 VanDerWaalsContact CB-OE2 3.29Å; N243-E245 WeakPolarHBondContact CB-OE2 3.18Å; N243-E245 PolarHBondContact ND2-OE2 3.26Å; N243-E245 PolarHBondContact O-N 2.98Å; E245-F309 HydrophobicContact CB-CE2 3.98Å; E245-F309 HydrophobicContact CB-CZ 3.48Å; E245-F309 VanDerWaalsContact CB-CZ 3.48Å; E245-F309 WeakPolarHBondContact O-CE1 3.5Å; E245-F309 WeakPolarHBondContact O-CZ 3.37Å
246	C	84.6	Confident	86.3	Confident	4 Å²	4	24.9 Å²	24.9	3%	0.027	13%	0.131	C	C	.	.			trans	-145.2	163.4	175.9	67.1	0	0	0	0	113.3	S241 V257 F309	S241-C246 PolarHBondContact N-O 2.66Å; S241-C246 PolarHBondContact OG-N 2.88Å; S241-C246 VanDerWaalsContact OG-N 3.15Å; S241-C246 PolarHBondContact OG-O 3.48Å; C246-V257 HydrophobicContact CB-CG1 3.88Å; C246-F309 HydrophobicContact CB-CE1 4.41Å; C246-F309 HydrophobicContact CB-CZ 3.99Å
247	L	89.5	Confident	86.2	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	124.8	-176.9	179	69.4	0	0	0	109.9	A205 V213 I215 I238 F240 V249 V257 I258 W260	A205-L247 HydrophobicContact CB-CD1 4.24Å; A205-L247 HydrophobicContact CB-CD2 3.93Å; V213-L247 HydrophobicContact CG1-CD2 3.86Å; I215-L247 HydrophobicContact CD1-CD2 4Å; I238-L247 HydrophobicContact CB-CD1 4.31Å; F240-L247 HydrophobicContact CD1-CB 4.05Å; F240-L247 HydrophobicContact CD1-CD1 3.72Å; F240-L247 HydrophobicContact CD1-CG 4.48Å; F240-L247 HydrophobicContact CD2-CD1 4.14Å; F240-L247 HydrophobicContact CE1-CB 4.08Å; F240-L247 HydrophobicContact CE1-CD1 3.77Å; F240-L247 HydrophobicContact CE1-CG 4.38Å; F240-L247 HydrophobicContact CE2-CD1 4.16Å; F240-L247 HydrophobicContact CG-CD1 3.93Å; F240-L247 HydrophobicContact CZ-CD1 4.01Å; L247-V249 HydrophobicContact CD2-CG2 3.83Å; L247-V249 HydrophobicContact CG-CG2 3.81Å; L247-V257 WeakPolarHBondContact O-CA 3.23Å; L247-I258 PolarHBondContact N-O 2.9Å; L247-I258 PolarHBondContact O-N 2.97Å; L247-W260 HydrophobicContact CB-CE3 4.23Å; L247-W260 HydrophobicContact CB-CZ3 3.82Å
248	F	90.1	Very high	85.9	Confident	2 Å²	2	18.6 Å²	18.6	1%	0.009	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	124.9	172.6	-57.5	-76.1	0	0	0	109.6	I238 T239 I255 V257 M279 V281 L286 L303	I238-F248 WeakPolarHBondContact CA-O 3.13Å; T239-F248 HydrophobicContact CG2-CB 3.99Å; T239-F248 HydrophobicContact CG2-CD2 4.27Å; T239-F248 PolarHBondContact N-O 3.41Å; T239-F248 PolarHBondContact O-N 3.36Å; F248-I255 HydrophobicContact CB-CG2 4.22Å; F248-I255 HydrophobicContact CD1-CG2 4.42Å; F248-V257 HydrophobicContact CD1-CG1 4.31Å; F248-V257 HydrophobicContact CD1-CG2 3.88Å; F248-V257 HydrophobicContact CE1-CG1 4.05Å; F248-V257 HydrophobicContact CE1-CG2 3.84Å; F248-M279 HydrophobicContact CB-CE 4.23Å; F248-M279 WeakPolarHBondContact O-CE 3.02Å; F248-V281 HydrophobicContact CD2-CG2 3.98Å; F248-V281 HydrophobicContact CE2-CG2 3.94Å; F248-L286 HydrophobicContact CB-CD1 4.33Å; F248-L286 HydrophobicContact CB-CD2 4.11Å; F248-L286 HydrophobicContact CD1-CD2 3.8Å; F248-L286 HydrophobicContact CD2-CD1 4.12Å; F248-L286 HydrophobicContact CE1-CD2 4.42Å; F248-L286 HydrophobicContact CG-CD1 4.15Å; F248-L286 HydrophobicContact CG-CD2 3.89Å; F248-L303 HydrophobicContact CE1-CD2 3.72Å; F248-L303 HydrophobicContact CE2-CD1 4.3Å; F248-L303 HydrophobicContact CE2-CD2 4.3Å; F248-L303 HydrophobicContact CZ-CD1 4.03Å; F248-L303 HydrophobicContact CZ-CD2 3.45Å; F248-L303 VanDerWaalsContact CZ-CD2 3.45Å; F248-L303 HydrophobicContact CZ-CG 4.4Å
249	V	89.9	Confident	85.4	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	118.7	-176.5	178.3	0	0	0	0	110	V213 F230 I235 I238 L247 I255 S256 I258	V213-V249 HydrophobicContact CG2-CB 4.45Å; V213-V249 HydrophobicContact CG2-CG1 3.81Å; V213-V249 HydrophobicContact CG2-CG2 3.97Å; F230-V249 HydrophobicContact CE1-CB 4.11Å; F230-V249 HydrophobicContact CE1-CG1 3.63Å; F230-V249 HydrophobicContact CE2-CG1 4.36Å; F230-V249 HydrophobicContact CZ-CB 3.8Å; F230-V249 HydrophobicContact CZ-CG1 3.49Å; F230-V249 VanDerWaalsContact CZ-CG1 3.49Å; F230-V249 HydrophobicContact CZ-CG2 4.47Å; I235-V249 HydrophobicContact CB-CG1 4.47Å; I235-V249 HydrophobicContact CD1-CG1 4.09Å; I235-V249 HydrophobicContact CG1-CG1 3.75Å; I235-V249 HydrophobicContact CG2-CG1 3.87Å; I238-V249 HydrophobicContact CG2-CB 4.32Å; I238-V249 HydrophobicContact CG2-CG1 4.04Å; I238-V249 HydrophobicContact CG2-CG2 3.93Å; L247-V249 HydrophobicContact CD2-CG2 3.83Å; L247-V249 HydrophobicContact CG-CG2 3.81Å; V249-I255 WeakPolarHBondContact O-CA 3.42Å; V249-S256 PolarHBondContact N-O 3.33Å; V249-S256 PolarHBondContact O-N 2.94Å; V249-I258 HydrophobicContact CB-CD1 4.5Å; V249-I258 HydrophobicContact CG2-CD1 3.93Å
250	G	89.2	Confident	85	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	123.6	-174.4	0	0	0	0	0	111.8	R236 C237 L276 M279	R236-G250 PolarHBondContact N-O 3.24Å; C237-G250 PolarHBondContact O-N 3.35Å; G250-L276 VanDerWaalsContact CA-CD2 3.45Å; G250-M279 VanDerWaalsContact N-CE 3.27Å
251	S	87.6	Confident	84.2	Confident	1 Å²	1	18.2 Å²	18.2	1%	0.007	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	175.6	179.6	70.4	0	0	0	0	111.1	S253 G254	S251-S253 PolarHBondContact O-N 3.23Å; S251-S253 PolarHBondContact OG-N 3.12Å; S251-S253 PolarHBondContact OG-OG 3.4Å; S251-S253 VanDerWaalsContact OG-OG 3.05Å; S251-G254 PolarHBondContact N-O 3.3Å; S251-G254 PolarHBondContact O-N 3.17Å; S251-G254 PolarHBondContact OG-O 3.14Å; S251-G254 VanDerWaalsContact OG-O 3.06Å
252	S	81.2	Confident	83.4	Confident	47 Å²	47	21 Å²	21	33%	0.329	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.9	171	40.2	0	0	0	0	114.3	Q233	Q233-S252 PolarHBondContact OE1-OG 3.38Å
253	S	81.1	Confident	83.1	Confident	42 Å²	42	19.6 Å²	19.6	29%	0.294	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-11	-179	60.4	0	0	0	0	113.9	S251 S271	S251-S253 PolarHBondContact O-N 3.23Å; S251-S253 PolarHBondContact OG-N 3.12Å; S251-S253 PolarHBondContact OG-OG 3.4Å; S251-S253 VanDerWaalsContact OG-OG 3.05Å; S253-S271 PolarHBondContact O-N 3.39Å
254	G	84.6	Confident	83	Confident	1 Å²	1	21.2 Å²	21.2	1%	0.01	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138.1	-152.5	-177	0	0	0	0	0	112.7	S251 I269	S251-G254 PolarHBondContact N-O 3.3Å; S251-G254 PolarHBondContact O-N 3.17Å; S251-G254 PolarHBondContact OG-O 3.14Å; S251-G254 VanDerWaalsContact OG-O 3.06Å; G254-I269 VanDerWaalsContact CA-O 3.31Å; G254-I269 WeakPolarHBondContact CA-O 3.29Å
255	I	88.1	Confident	82.9	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	122.8	179.6	-59.3	170.8	0	0	0	109.9	F248 V249 I269 W273 L276 M279 L286 C288 I301	F248-I255 HydrophobicContact CB-CG2 4.22Å; F248-I255 HydrophobicContact CD1-CG2 4.42Å; V249-I255 WeakPolarHBondContact O-CA 3.42Å; I255-I269 HydrophobicContact CB-CB 4.43Å; I255-I269 PolarHBondContact N-O 3.05Å; I255-I269 PolarHBondContact O-N 2.94Å; I255-W273 HydrophobicContact CD1-CH2 3.58Å; I255-W273 HydrophobicContact CD1-CZ3 3.56Å; I255-W273 HydrophobicContact CG1-CH2 4.15Å; I255-W273 HydrophobicContact CG1-CZ3 3.68Å; I255-L276 HydrophobicContact CG1-CD2 4.46Å; I255-M279 HydrophobicContact CD1-SD 3.41Å; I255-M279 WeakPolarHBondContact CD1-SD 3.39Å; I255-M279 HydrophobicContact CG1-SD 3.66Å; I255-M279 HydrophobicContact CG2-SD 4.19Å; I255-L286 HydrophobicContact CD1-CD2 3.8Å; I255-L286 HydrophobicContact CG2-CD2 4.14Å; I255-C288 WeakPolarHBondContact CD1-SG 3.27Å; I255-I301 HydrophobicContact CD1-CD1 3.8Å
256	S	86.6	Confident	82.8	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	146.1	167.7	-64.1	0	0	0	0	110.5	F230 V249 E265 H268	F230-S256 VanDerWaalsContact CE1-OG 3.25Å; F230-S256 WeakPolarHBondContact CE1-OG 3.42Å; V249-S256 PolarHBondContact N-O 3.33Å; V249-S256 PolarHBondContact O-N 2.94Å; S256-E265 WeakPolarHBondContact CB-OE1 3.2Å; S256-E265 PolarHBondContact OG-OE1 3.36Å; S256-H268 PolarHBondContact OG-ND1 3.46Å; S256-H268 VanDerWaalsContact OG-ND1 3.11Å
257	V	87.1	Confident	82.5	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.9	168.1	-166.8	0	0	0	0	108.6	C246 L247 F248 E265 L266 D267 V306	C246-V257 HydrophobicContact CB-CG1 3.88Å; L247-V257 WeakPolarHBondContact O-CA 3.23Å; F248-V257 HydrophobicContact CD1-CG1 4.31Å; F248-V257 HydrophobicContact CD1-CG2 3.88Å; F248-V257 HydrophobicContact CE1-CG1 4.05Å; F248-V257 HydrophobicContact CE1-CG2 3.84Å; V257-E265 CarbonylContact O-C 3.56Å; V257-E265 WeakPolarHBondContact O-CA 3.32Å; V257-L266 PolarHBondContact O-N 2.82Å; V257-D267 HydrophobicContact CB-CB 4.43Å; V257-D267 HydrophobicContact CG2-CB 4.04Å; V257-D267 PolarHBondContact N-O 3.06Å; V257-V306 HydrophobicContact CG2-CG1 3.67Å
258	I	85	Confident	82.2	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	137	-178.7	-68.6	166.6	0	0	0	110.4	V213 T227 F230 L247 V249 R264	V213-I258 HydrophobicContact CB-CD1 4.37Å; V213-I258 HydrophobicContact CG2-CD1 3.92Å; T227-I258 HydrophobicContact CG2-CD1 3.66Å; T227-I258 HydrophobicContact CG2-CG1 4.12Å; F230-I258 HydrophobicContact CE2-CD1 3.72Å; F230-I258 HydrophobicContact CZ-CD1 3.64Å; L247-I258 PolarHBondContact N-O 2.9Å; L247-I258 PolarHBondContact O-N 2.97Å; V249-I258 HydrophobicContact CB-CD1 4.5Å; V249-I258 HydrophobicContact CG2-CD1 3.93Å; I258-R264 WeakPolarHBondContact CA-O 3.46Å
259	G	83	Confident	81.8	Confident	2 Å²	2	26.5 Å²	26.5	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	143.3	154.5	0	0	0	0	0	109.3	D263 R264	G259-D263 CarbonylContact O-C 3.55Å; G259-D263 WeakPolarHBondContact O-CA 3.49Å; G259-R264 PolarHBondContact N-O 3.11Å; G259-R264 PolarHBondContact O-N 2.88Å
260	W	81.3	Confident	81.3	Confident	5 Å²	5	34.5 Å²	34.5	2%	0.019	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-13.7	-172.9	50.3	96.7	0	0	0	114.5	H198 I215 F240 G244 L247 P262 D263	H198-W260 AromaticContact NE2-CZ2 3.95Å; I215-W260 HydrophobicContact CD1-CB 3.73Å; I215-W260 HydrophobicContact CD1-CD2 3.79Å; I215-W260 HydrophobicContact CD1-CE3 3.83Å; I215-W260 HydrophobicContact CD1-CG 3.76Å; F240-W260 AromaticContact CD1-CH2 3.76Å; F240-W260 HydrophobicContact CD1-CH2 3.76Å; F240-W260 AromaticContact CD1-CZ3 3.99Å; F240-W260 HydrophobicContact CD1-CZ3 3.99Å; F240-W260 HydrophobicContact CE1-CE3 4.37Å; F240-W260 AromaticContact CE1-CH2 3.58Å; F240-W260 HydrophobicContact CE1-CH2 3.58Å; F240-W260 HydrophobicContact CE1-CZ2 4.15Å; F240-W260 AromaticContact CE1-CZ3 3.7Å; F240-W260 HydrophobicContact CE1-CZ3 3.7Å; G244-W260 WeakPolarHBondContact O-CH2 3.36Å; G244-W260 WeakPolarHBondContact O-CZ2 3.38Å; L247-W260 HydrophobicContact CB-CE3 4.23Å; L247-W260 HydrophobicContact CB-CZ3 3.82Å; W260-P262 VanDerWaalsContact C-C 3.42Å; W260-P262 CarbonylContact O-C 3.59Å; W260-D263 PolarHBondContact O-N 3.12Å
261	E	73.8	Confident	80.5	Confident	28 Å²	28	35.5 Å²	35.5	13%	0.131	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.6	84.3	179.3	-71	173.1	156.8	0	0	109.8	V224 F319 H321 T324 R326	V224-E261 HydrophobicContact CG1-CG 4.31Å; E261-F319 HydrophobicContact CB-CE1 3.65Å; E261-F319 HydrophobicContact CB-CE2 4.26Å; E261-F319 HydrophobicContact CB-CZ 3.49Å; E261-F319 VanDerWaalsContact CB-CZ 3.49Å; E261-F319 HydrophobicContact CG-CZ 4.34Å; E261-F319 WeakPolarHBondContact O-CD1 3.4Å; E261-F319 WeakPolarHBondContact O-CE1 3.3Å; E261-F319 WeakPolarHBondContact OE2-CZ 3.46Å; E261-H321 PolarHBondContact O-NE2 3.42Å; E261-T324 WeakPolarHBondContact OE2-CG2 3.27Å; E261-R326 IonicContact OE1-CZ 3.09Å; E261-R326 IonicContact OE1-NE 2.81Å; E261-R326 PolarHBondContact OE1-NE 3.15Å; E261-R326 IonicContact OE1-NH2 3.78Å; E261-R326 PolarHBondContact OE1-NH2 3.48Å
262	P	71.1	Confident	79.5	Confident	68 Å²	68	42.4 Å²	42.4	44%	0.442	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	cis	-82.7	153.9	-2.2	34.6	-35.7	0	0	0	113.7	W260 R264	W260-P262 VanDerWaalsContact C-C 3.42Å; W260-P262 CarbonylContact O-C 3.59Å; P262-R264 HydrophobicContact CG-CG 4.38Å; P262-R264 PolarHBondContact O-N 2.75Å; P262-R264 VanDerWaalsContact O-N 3.1Å
263	D	76.1	Confident	79.2	Confident	52 Å²	52	41.6 Å²	41.6	28%	0.278	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	106.3	175.1	-163	-33.8	0	0	0	112.5	S225 Q226 T227 G259 W260	S225-D263 WeakPolarHBondContact CB-OD2 3.38Å; S225-D263 PolarHBondContact OG-OD2 3.45Å; Q226-D263 VanDerWaalsContact C-OD2 3.3Å; Q226-D263 PolarHBondContact N-OD2 2.92Å; T227-D263 WeakPolarHBondContact CB-OD1 3.42Å; T227-D263 WeakPolarHBondContact CG2-OD1 3.39Å; T227-D263 PolarHBondContact N-OD2 3.34Å; T227-D263 PolarHBondContact OG1-OD1 2.93Å; T227-D263 PolarHBondContact OG1-OD2 3.17Å; G259-D263 CarbonylContact O-C 3.55Å; G259-D263 WeakPolarHBondContact O-CA 3.49Å; W260-D263 PolarHBondContact O-N 3.12Å
264	R	74.8	Confident	78.4	Confident	124 Å²	124	43 Å²	43	47%	0.468	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	137.8	-177.2	-66.1	-174.1	-179.9	162.3	4.9	111.9	I258 G259 P262 L266	I258-R264 WeakPolarHBondContact CA-O 3.46Å; G259-R264 PolarHBondContact N-O 3.11Å; G259-R264 PolarHBondContact O-N 2.88Å; P262-R264 HydrophobicContact CG-CG 4.38Å; P262-R264 PolarHBondContact O-N 2.75Å; P262-R264 VanDerWaalsContact O-N 3.1Å; R264-L266 HydrophobicContact CB-CD2 3.93Å
265	E	79.4	Confident	78	Confident	69 Å²	69	44.7 Å²	44.7	32%	0.322	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	128.5	158.4	-171.4	174.3	-141.5	0	0	109	S256 V257 H268	S256-E265 WeakPolarHBondContact CB-OE1 3.2Å; S256-E265 PolarHBondContact OG-OE1 3.36Å; V257-E265 CarbonylContact O-C 3.56Å; V257-E265 WeakPolarHBondContact O-CA 3.32Å; E265-H268 IonicContact OE1-CE1 2.7Å; E265-H268 IonicContact OE1-CG 3.46Å; E265-H268 IonicContact OE1-ND1 3.45Å; E265-H268 PolarHBondContact OE1-ND1 3.01Å
266	L	75.3	Confident	77.8	Confident	28 Å²	28	45 Å²	45	15%	0.147	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-32.1	-169.5	-61	174.2	0	0	0	112.6	V257 R264 P308 F309 Y310	V257-L266 PolarHBondContact O-N 2.82Å; R264-L266 HydrophobicContact CB-CD2 3.93Å; L266-P308 WeakPolarHBondContact CD1-O 3.45Å; L266-F309 HydrophobicContact CD1-CD1 4.04Å; L266-F309 HydrophobicContact CD1-CE1 4.23Å; L266-Y310 WeakPolarHBondContact O-CB 3.45Å
267	D	77.6	Confident	77.7	Confident	25 Å²	25	46.2 Å²	46.2	13%	0.134	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	152.3	168	-152.7	-14.9	0	0	0	109.4	R5 V257 V306 I307	R5-D267 IonicContact CZ-OD2 2.87Å; R5-D267 IonicContact NH1-OD1 3.68Å; R5-D267 PolarHBondContact NH1-OD1 3.19Å; R5-D267 IonicContact NH1-OD2 3.9Å; R5-D267 PolarHBondContact NH1-OD2 3.17Å; V257-D267 HydrophobicContact CB-CB 4.43Å; V257-D267 HydrophobicContact CG2-CB 4.04Å; V257-D267 PolarHBondContact N-O 3.06Å; D267-V306 HydrophobicContact CB-CG1 4.19Å; D267-I307 PolarHBondContact OD2-N 3.2Å
268	H	83.4	Confident	77.5	Confident	56 Å²	56	47.9 Å²	47.9	26%	0.259	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	102.3	-177.7	-175.2	93.1	0	0	0	110.9	S256 E265 K270	S256-H268 PolarHBondContact OG-ND1 3.46Å; S256-H268 VanDerWaalsContact OG-ND1 3.11Å; E265-H268 IonicContact OE1-CE1 2.7Å; E265-H268 IonicContact OE1-CG 3.46Å; E265-H268 IonicContact OE1-ND1 3.45Å; E265-H268 PolarHBondContact OE1-ND1 3.01Å; H268-K270 WeakPolarHBondContact CD2-CG 3.27Å; H268-K270 PolarHBondContact O-N 3.07Å
269	I	82.8	Confident	77.7	Confident	9 Å²	9	48.2 Å²	48.2	5%	0.046	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	84.6	-175	-48.3	178.5	0	0	0	108.7	L7 I8 G254 I255 S271 I301 V306	L7-I269 HydrophobicContact CB-CG2 4.46Å; L7-I269 HydrophobicContact CD1-CD1 4.11Å; L7-I269 HydrophobicContact CD1-CG1 3.97Å; L7-I269 HydrophobicContact CD1-CG2 4.19Å; I8-I269 HydrophobicContact CD1-CG2 4.14Å; I8-I269 HydrophobicContact CG1-CG2 4.02Å; G254-I269 VanDerWaalsContact CA-O 3.31Å; G254-I269 WeakPolarHBondContact CA-O 3.29Å; I255-I269 HydrophobicContact CB-CB 4.43Å; I255-I269 PolarHBondContact N-O 3.05Å; I255-I269 PolarHBondContact O-N 2.94Å; I269-S271 PolarHBondContact O-N 2.92Å; I269-I301 HydrophobicContact CD1-CD1 4.06Å; I269-I301 HydrophobicContact CD1-CG2 3.86Å; I269-I301 HydrophobicContact CG2-CD1 4.17Å; I269-V306 HydrophobicContact CD1-CG1 4.24Å; I269-V306 HydrophobicContact CD1-CG2 3.73Å
270	K	78.1	Confident	77.8	Confident	167 Å²	167	51.1 Å²	51.1	73%	0.726	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.7	132.4	174.6	-62	-161	174.2	-165	0	110.7	H268	H268-K270 WeakPolarHBondContact CD2-CG 3.27Å; H268-K270 PolarHBondContact O-N 3.07Å
271	S	73.8	Confident	78	Confident	22 Å²	22	51.6 Å²	51.6	15%	0.154	27%	0.272	C	S	.	.			trans	-137.2	163.4	173.3	-162.3	0	0	0	0	111.2	I8 S253 I269 W273	I8-S271 WeakPolarHBondContact CD1-OG 3.34Å; S253-S271 PolarHBondContact O-N 3.39Å; I269-S271 PolarHBondContact O-N 2.92Å; S271-W273 VanDerWaalsContact OG-CD2 3.24Å; S271-W273 PolarHBondContact OG-NE1 3.4Å
272	T	65.9	Low	78.3	Confident	146 Å²	146	51.4 Å²	51.4	90%	0.896	27%	0.272	S	S	*	.			trans	-107.6	46.8	175.1	61.2	0	0	0	0	110
273	W	74	Confident	78.6	Confident	30 Å²	30	55 Å²	55	11%	0.114	29%	0.288	C	S	.	.			trans	-87.2	127.4	-180	-63.2	-31.7	0	0	0	110.6	I8 I255 S271 L276 C288 C290 N299 I301	I8-W273 HydrophobicContact CD1-CZ2 4.03Å; I8-W273 HydrophobicContact CG2-CZ2 4.11Å; I255-W273 HydrophobicContact CD1-CH2 3.58Å; I255-W273 HydrophobicContact CD1-CZ3 3.56Å; I255-W273 HydrophobicContact CG1-CH2 4.15Å; I255-W273 HydrophobicContact CG1-CZ3 3.68Å; S271-W273 VanDerWaalsContact OG-CD2 3.24Å; S271-W273 PolarHBondContact OG-NE1 3.4Å; W273-L276 HydrophobicContact CE3-CB 4.17Å; W273-L276 HydrophobicContact CE3-CD1 3.96Å; W273-L276 HydrophobicContact CE3-CD2 4.1Å; W273-L276 HydrophobicContact CE3-CG 4.3Å; W273-L276 HydrophobicContact CZ3-CD1 3.87Å; W273-L276 HydrophobicContact CZ3-CD2 4Å; W273-L276 HydrophobicContact CZ3-CG 4.43Å; W273-C288 HydrophobicContact CH2-CB 3.72Å; W273-C288 HydrophobicContact CZ2-CB 4.24Å; W273-C288 HydrophobicContact CZ3-CB 4.26Å; W273-C290 VanDerWaalsContact CD2-SG 3.57Å; W273-N299 HydrophobicContact CZ2-CB 3.79Å; W273-N299 PolarHBondContact NE1-ND2 2.68Å; W273-I301 HydrophobicContact CH2-CD1 4.29Å
274	S	64.1	Low	78.7	Confident	72 Å²	72	56 Å²	56	50%	0.503	29%	0.293	S	S	.	.	S	Bend	trans	-71.4	-46.5	178.1	48.2	0	0	0	0	112.7	E292	S274-E292 VanDerWaalsContact CB-OE2 3.23Å; S274-E292 WeakPolarHBondContact CB-OE2 3.28Å; S274-E292 VanDerWaalsContact OG-CD 3.25Å; S274-E292 WeakPolarHBondContact OG-CG 3.33Å; S274-E292 PolarHBondContact OG-OE2 3.43Å
275	S	77.1	Confident	79.1	Confident	36 Å²	36	54.7 Å²	54.7	25%	0.252	29%	0.291	S	S	.	.			trans	-143.4	104.4	170.7	-170.8	0	0	0	0	111.1	C290 H291	S275-C290 VanDerWaalsContact O-CA 3.3Å; S275-C290 WeakPolarHBondContact O-CA 3.3Å; S275-H291 WeakPolarHBondContact CB-O 3.45Å; S275-H291 PolarHBondContact O-N 3.49Å; S275-H291 PolarHBondContact OG-NE2 2.78Å
276	L	84.8	Confident	79.4	Confident	5 Å²	5	51.4 Å²	51.4	3%	0.026	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	122.2	165.1	175.5	64.6	0	0	0	108.5	R236 G250 I255 W273 M279 C288	R236-L276 WeakPolarHBondContact CB-O 3.42Å; G250-L276 VanDerWaalsContact CA-CD2 3.45Å; I255-L276 HydrophobicContact CG1-CD2 4.46Å; W273-L276 HydrophobicContact CE3-CB 4.17Å; W273-L276 HydrophobicContact CE3-CD1 3.96Å; W273-L276 HydrophobicContact CE3-CD2 4.1Å; W273-L276 HydrophobicContact CE3-CG 4.3Å; W273-L276 HydrophobicContact CZ3-CD1 3.87Å; W273-L276 HydrophobicContact CZ3-CD2 4Å; W273-L276 HydrophobicContact CZ3-CG 4.43Å; L276-M279 HydrophobicContact CD1-CG 4.17Å; L276-M279 HydrophobicContact CD2-CG 4.31Å; L276-M279 HydrophobicContact CD2-SD 4.11Å; L276-C288 HydrophobicContact CD1-CB 4.03Å
277	A	82.8	Confident	79.9	Confident	27 Å²	27	51 Å²	51	22%	0.223	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-57.2	-177.2	0	0	0	0	0	111.5	L24 G289	L24-A277 HydrophobicContact CD1-CB 4.22Å; L24-A277 HydrophobicContact CD2-CB 3.83Å; L24-A277 HydrophobicContact CG-CB 3.84Å; A277-G289 WeakPolarHBondContact CB-O 3.14Å; A277-G289 PolarHBondContact N-O 3.07Å
278	D	84.4	Confident	80.3	Confident	35 Å²	35	49.8 Å²	49.8	19%	0.187	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	162	-176.1	-154.3	0.3	0	0	0	113	L24 R67 G289	L24-D278 HydrophobicContact CD1-CB 4.34Å; R67-D278 IonicContact CZ-OD2 3.93Å; R67-D278 IonicContact NH1-OD2 3.16Å; R67-D278 PolarHBondContact NH1-OD2 2.96Å; R67-D278 IonicContact NH2-OD2 3.81Å; R67-D278 PolarHBondContact NH2-OD2 3.45Å; D278-G289 PolarHBondContact N-O 3.15Å; D278-G289 PolarHBondContact O-N 3.1Å
279	M	87.9	Confident	80.4	Confident	6 Å²	6	47.2 Å²	47.2	3%	0.03	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	129.6	-178.7	-63.9	-172.7	-57.9	0	0	111.7	T239 F248 G250 I255 L276 L286 I287 C288	T239-M279 WeakPolarHBondContact CB-O 3.49Å; T239-M279 HydrophobicContact CG2-CB 3.84Å; T239-M279 HydrophobicContact CG2-CE 4.36Å; F248-M279 HydrophobicContact CB-CE 4.23Å; F248-M279 WeakPolarHBondContact O-CE 3.02Å; G250-M279 VanDerWaalsContact N-CE 3.27Å; I255-M279 HydrophobicContact CD1-SD 3.41Å; I255-M279 WeakPolarHBondContact CD1-SD 3.39Å; I255-M279 HydrophobicContact CG1-SD 3.66Å; I255-M279 HydrophobicContact CG2-SD 4.19Å; L276-M279 HydrophobicContact CD1-CG 4.17Å; L276-M279 HydrophobicContact CD2-CG 4.31Å; L276-M279 HydrophobicContact CD2-SD 4.11Å; M279-L286 HydrophobicContact CB-CD1 4.17Å; M279-L286 HydrophobicContact SD-CD2 4.33Å; M279-I287 WeakPolarHBondContact CA-O 3.36Å; M279-C288 HydrophobicContact CG-CB 4.46Å
280	K	85.8	Confident	80.5	Confident	64 Å²	64	47 Å²	47	28%	0.278	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.7	178.1	-161.1	176.7	-172.2	179.8	0	109.7	L26 G27 V282 I287	L26-K280 HydrophobicContact CB-CD 4.22Å; L26-K280 PolarHBondContact O-NZ 2.7Å; G27-K280 PolarHBondContact O-NZ 2.95Å; G27-K280 VanDerWaalsContact O-NZ 3.16Å; K280-V282 HydrophobicContact CB-CG2 4.45Å; K280-V282 HydrophobicContact CD-CG2 4.15Å; K280-V282 HydrophobicContact CG-CG2 3.98Å; K280-I287 PolarHBondContact N-O 3.03Å; K280-I287 PolarHBondContact O-N 2.99Å
281	V	85.6	Confident	80.7	Confident	15 Å²	15	39.8 Å²	39.8	9%	0.091	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	130.9	168.2	-172.7	0	0	0	0	108.2	T239 D242 F248 K285 L286 L303	T239-V281 HydrophobicContact CG2-CG2 4.22Å; D242-V281 WeakPolarHBondContact OD1-CB 3.25Å; D242-V281 WeakPolarHBondContact OD1-CG1 3.47Å; D242-V281 WeakPolarHBondContact OD2-CG1 3.2Å; F248-V281 HydrophobicContact CD2-CG2 3.98Å; F248-V281 HydrophobicContact CE2-CG2 3.94Å; V281-K285 WeakPolarHBondContact CA-O 3.26Å; V281-L286 HydrophobicContact CG2-CD1 3.68Å; V281-L303 HydrophobicContact CG1-CD1 3.87Å
282	V	80.6	Confident	81.1	Confident	24 Å²	24	43.9 Å²	43.9	15%	0.145	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	120	179.1	-179.3	0	0	0	0	108.6	K280 N284 K285 I287	K280-V282 HydrophobicContact CB-CG2 4.45Å; K280-V282 HydrophobicContact CD-CG2 4.15Å; K280-V282 HydrophobicContact CG-CG2 3.98Å; V282-N284 PolarHBondContact O-N 3.12Å; V282-K285 PolarHBondContact N-O 2.82Å; V282-K285 PolarHBondContact O-N 2.91Å; V282-K285 VanDerWaalsContact O-N 3.09Å; V282-I287 HydrophobicContact CB-CD1 3.89Å; V282-I287 HydrophobicContact CB-CG1 4.46Å; V282-I287 HydrophobicContact CG2-CD1 3.96Å
283	N	76.7	Confident	82.1	Confident	143 Å²	143	42.8 Å²	42.8	77%	0.765	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	52.9	174.2	-66.2	-60.6	0	0	0	113.5	K285	N283-K285 PolarHBondContact O-N 3.48Å
284	N	78.4	Confident	82.6	Confident	73 Å²	73	43.5 Å²	43.5	39%	0.39	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	24.8	-179.2	-165.3	47.2	0	0	0	114.6	V282 L303 D304	V282-N284 PolarHBondContact O-N 3.12Å; N284-L303 WeakPolarHBondContact O-CB 3.2Å; N284-L303 PolarHBondContact O-N 3.22Å; N284-L303 VanDerWaalsContact O-N 3.09Å; N284-D304 VanDerWaalsContact ND2-CG 3.28Å; N284-D304 PolarHBondContact ND2-OD1 2.77Å; N284-D304 PolarHBondContact ND2-OD2 3.23Å
285	K	83	Confident	83.7	Confident	97 Å²	97	42.3 Å²	42.3	42%	0.422	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	135.8	171.4	-61.6	178.7	-176.6	175.9	0	109.6	V281 V282 N283 I301	V281-K285 WeakPolarHBondContact CA-O 3.26Å; V282-K285 PolarHBondContact N-O 2.82Å; V282-K285 PolarHBondContact O-N 2.91Å; V282-K285 VanDerWaalsContact O-N 3.09Å; N283-K285 PolarHBondContact O-N 3.48Å; K285-I301 WeakPolarHBondContact CA-O 3.14Å
286	L	86.1	Confident	84.2	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	120.4	166.8	-173.5	67.3	0	0	0	107.8	T239 F248 I255 M279 V281 T300 I301 L303	T239-L286 HydrophobicContact CG2-CD1 3.78Å; F248-L286 HydrophobicContact CB-CD1 4.33Å; F248-L286 HydrophobicContact CB-CD2 4.11Å; F248-L286 HydrophobicContact CD1-CD2 3.8Å; F248-L286 HydrophobicContact CD2-CD1 4.12Å; F248-L286 HydrophobicContact CE1-CD2 4.42Å; F248-L286 HydrophobicContact CG-CD1 4.15Å; F248-L286 HydrophobicContact CG-CD2 3.89Å; I255-L286 HydrophobicContact CD1-CD2 3.8Å; I255-L286 HydrophobicContact CG2-CD2 4.14Å; M279-L286 HydrophobicContact CB-CD1 4.17Å; M279-L286 HydrophobicContact SD-CD2 4.33Å; V281-L286 HydrophobicContact CG2-CD1 3.68Å; L286-T300 WeakPolarHBondContact O-CA 3.47Å; L286-I301 HydrophobicContact CB-CB 4.33Å; L286-I301 PolarHBondContact N-O 3.03Å; L286-I301 PolarHBondContact O-N 3.03Å; L286-L303 HydrophobicContact CB-CD2 3.96Å
287	I	86.1	Confident	84.4	Confident	19 Å²	19	41.1 Å²	41.1	10%	0.097	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.9	176	-49.9	-175.8	0	0	0	107.7	L26 M279 K280 V282 I298 T300	L26-I287 HydrophobicContact CD1-CB 4.1Å; L26-I287 HydrophobicContact CD1-CG2 3.49Å; L26-I287 VanDerWaalsContact CD1-CG2 3.49Å; M279-I287 WeakPolarHBondContact CA-O 3.36Å; K280-I287 PolarHBondContact N-O 3.03Å; K280-I287 PolarHBondContact O-N 2.99Å; V282-I287 HydrophobicContact CB-CD1 3.89Å; V282-I287 HydrophobicContact CB-CG1 4.46Å; V282-I287 HydrophobicContact CG2-CD1 3.96Å; I287-I298 HydrophobicContact CG2-CG2 3.31Å; I287-T300 HydrophobicContact CB-CG2 4.5Å; I287-T300 HydrophobicContact CG1-CG2 4.15Å; I287-T300 HydrophobicContact CG2-CG2 4.2Å
288	C	85.9	Confident	84.5	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	111.8	-172.5	-47	0	0	0	0	109.1	I255 W273 L276 M279 N299	I255-C288 WeakPolarHBondContact CD1-SG 3.27Å; W273-C288 HydrophobicContact CH2-CB 3.72Å; W273-C288 HydrophobicContact CZ2-CB 4.24Å; W273-C288 HydrophobicContact CZ3-CB 4.26Å; L276-C288 HydrophobicContact CD1-CB 4.03Å; M279-C288 HydrophobicContact CG-CB 4.46Å; C288-N299 HydrophobicContact CB-CB 4.35Å; C288-N299 PolarHBondContact N-O 2.85Å; C288-N299 PolarHBondContact O-N 3.03Å
289	G	84.9	Confident	84.6	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	118	175.2	0	0	0	0	0	110.5	A277 D278	A277-G289 WeakPolarHBondContact CB-O 3.14Å; A277-G289 PolarHBondContact N-O 3.07Å; D278-G289 PolarHBondContact N-O 3.15Å; D278-G289 PolarHBondContact O-N 3.1Å
290	C	84.4	Confident	84.5	Confident	4 Å²	4	39.1 Å²	39.1	3%	0.027	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	141.1	176.1	-54.5	0	0	0	0	109.1	W273 S275 V296 S297	W273-C290 VanDerWaalsContact CD2-SG 3.57Å; S275-C290 VanDerWaalsContact O-CA 3.3Å; S275-C290 WeakPolarHBondContact O-CA 3.3Å; C290-V296 WeakPolarHBondContact O-CA 3.28Å; C290-S297 PolarHBondContact N-O 3.29Å; C290-S297 PolarHBondContact O-N 3.23Å
291	H	83.3	Confident	84.3	Confident	17 Å²	17	36.1 Å²	36.1	8%	0.079	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	146	172.7	57.5	-120.6	0	0	0	110.5	V21 S275 T295 V296	V21-H291 HydrophobicContact CB-CB 4.07Å; V21-H291 HydrophobicContact CG1-CB 4.32Å; S275-H291 WeakPolarHBondContact CB-O 3.45Å; S275-H291 PolarHBondContact O-N 3.49Å; S275-H291 PolarHBondContact OG-NE2 2.78Å; H291-T295 CarbonylContact C-O 3.56Å; H291-T295 VanDerWaalsContact CA-O 3.27Å; H291-T295 WeakPolarHBondContact CA-O 3.38Å; H291-V296 HydrophobicContact CB-CG2 4.2Å
292	E	82.3	Confident	84	Confident	108 Å²	108	37.1 Å²	37.1	51%	0.505	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	108.6	172.7	-171.7	167.2	154.4	0	0	109.3	S274 D294 T295	S274-E292 VanDerWaalsContact CB-OE2 3.23Å; S274-E292 WeakPolarHBondContact CB-OE2 3.28Å; S274-E292 VanDerWaalsContact OG-CD 3.25Å; S274-E292 WeakPolarHBondContact OG-CG 3.33Å; S274-E292 PolarHBondContact OG-OE2 3.43Å; E292-D294 PolarHBondContact O-N 3.06Å; E292-T295 PolarHBondContact N-O 2.83Å; E292-T295 PolarHBondContact O-N 3.4Å; E292-T295 PolarHBondContact O-OG1 3.02Å
293	I	85.4	Confident	83.8	Confident	122 Å²	122	37 Å²	37	63%	0.626	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	-106.3	-170.3	-47.2	177.8	0	0	0	109.8	R20 V21	R20-I293 CarbonylContact C-O 3.43Å; R20-I293 VanDerWaalsContact CA-O 3.27Å; R20-I293 WeakPolarHBondContact CA-O 3.18Å; V21-I293 PolarHBondContact N-O 2.94Å
294	D	85.8	Confident	83.4	Confident	45 Å²	45	36.2 Å²	36.2	24%	0.241	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-9	-177	62.9	-29.2	0	0	0	113.7	K15 A16 H17 E292	K15-D294 WeakPolarHBondContact CD-OD2 3.48Å; K15-D294 HydrophobicContact CG-CB 4.4Å; K15-D294 IonicContact NZ-OD2 2.86Å; K15-D294 PolarHBondContact NZ-OD2 3.15Å; A16-D294 PolarHBondContact N-O 3.23Å; H17-D294 PolarHBondContact N-O 2.56Å; H17-D294 WeakPolarHBondContact O-CB 3.44Å; E292-D294 PolarHBondContact O-N 3.06Å
295	T	86.8	Confident	82.7	Confident	47 Å²	47	40.4 Å²	40.4	29%	0.288	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	149.6	-178.8	67.3	0	0	0	0	113.1	I14 H291 E292	I14-T295 CarbonylContact O-C 3.6Å; I14-T295 WeakPolarHBondContact O-CA 3.22Å; I14-T295 WeakPolarHBondContact O-CB 3.48Å; H291-T295 CarbonylContact C-O 3.56Å; H291-T295 VanDerWaalsContact CA-O 3.27Å; H291-T295 WeakPolarHBondContact CA-O 3.38Å; E292-T295 PolarHBondContact N-O 2.83Å; E292-T295 PolarHBondContact O-N 3.4Å; E292-T295 PolarHBondContact O-OG1 3.02Å
296	V	88.2	Confident	81.9	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	132.7	169.6	-179.9	0	0	0	0	109.3	I14 A16 V21 L24 L33 T35 C290 H291	I14-V296 HydrophobicContact CG1-CB 4.25Å; I14-V296 WeakPolarHBondContact CG1-O 3.08Å; I14-V296 PolarHBondContact N-O 3.38Å; I14-V296 PolarHBondContact O-N 3.2Å; A16-V296 HydrophobicContact CB-CB 4.16Å; A16-V296 HydrophobicContact CB-CG2 3.65Å; V21-V296 HydrophobicContact CB-CG2 4.2Å; V21-V296 HydrophobicContact CG1-CG2 3.82Å; V21-V296 HydrophobicContact CG2-CG2 3.86Å; L24-V296 HydrophobicContact CD2-CG1 3.82Å; L33-V296 HydrophobicContact CD2-CG1 3.98Å; T35-V296 HydrophobicContact CG2-CG1 4.46Å; T35-V296 HydrophobicContact CG2-CG2 3.96Å; C290-V296 WeakPolarHBondContact O-CA 3.28Å; H291-V296 HydrophobicContact CB-CG2 4.2Å
297	S	86.9	Confident	80.8	Confident	17 Å²	17	39.1 Å²	39.1	12%	0.119	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.2	173.4	61	0	0	0	0	111.8	Y12 C290	Y12-S297 VanDerWaalsContact O-CA 3.31Å; Y12-S297 WeakPolarHBondContact O-CA 3.47Å; C290-S297 PolarHBondContact N-O 3.29Å; C290-S297 PolarHBondContact O-N 3.23Å
298	I	86.6	Confident	79.2	Confident	4 Å²	4	40.1 Å²	40.1	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	112.8	170.9	-51.9	174.4	0	0	0	107.8	I11 Y12 L26 L33 I47 I287	I11-I298 PolarHBondContact N-O 2.82Å; Y12-I298 HydrophobicContact CD1-CD1 3.67Å; Y12-I298 HydrophobicContact CD1-CG1 4.05Å; Y12-I298 HydrophobicContact CG-CD1 4.3Å; Y12-I298 PolarHBondContact N-O 2.81Å; Y12-I298 PolarHBondContact O-N 3.24Å; L26-I298 HydrophobicContact CD2-CD1 4.04Å; L33-I298 HydrophobicContact CB-CD1 4.18Å; L33-I298 HydrophobicContact CD1-CD1 4.21Å; L33-I298 HydrophobicContact CD1-CG1 4.48Å; L33-I298 HydrophobicContact CD2-CD1 4.18Å; L33-I298 HydrophobicContact CD2-CG1 4.49Å; L33-I298 HydrophobicContact CG-CD1 4.42Å; I47-I298 HydrophobicContact CD1-CD1 3.63Å; I47-I298 HydrophobicContact CG1-CD1 3.75Å; I287-I298 HydrophobicContact CG2-CG2 3.31Å
299	N	86.4	Confident	77.8	Confident	7 Å²	7	43.9 Å²	43.9	4%	0.037	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	146.9	170.5	-64.8	-70.3	0	0	0	109.1	I8 K10 W273 C288	I8-N299 HydrophobicContact CG2-CB 3.94Å; K10-N299 WeakPolarHBondContact CA-OD1 3.31Å; W273-N299 HydrophobicContact CZ2-CB 3.79Å; W273-N299 PolarHBondContact NE1-ND2 2.68Å; C288-N299 HydrophobicContact CB-CB 4.35Å; C288-N299 PolarHBondContact N-O 2.85Å; C288-N299 PolarHBondContact O-N 3.03Å
300	T	84.6	Confident	75.9	Confident	15 Å²	15	50.5 Å²	50.5	9%	0.092	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	146.8	171.5	60.3	0	0	0	0	111.1	S9 I11 L286 I287	S9-T300 PolarHBondContact N-O 2.91Å; S9-T300 PolarHBondContact O-N 3.09Å; S9-T300 PolarHBondContact O-OG1 3.11Å; I11-T300 HydrophobicContact CD1-CG2 3.56Å; I11-T300 VanDerWaalsContact CD1-OG1 3.23Å; I11-T300 WeakPolarHBondContact CD1-OG1 3.33Å; I11-T300 HydrophobicContact CG1-CG2 4.04Å; I11-T300 WeakPolarHBondContact CG1-OG1 3.44Å; L286-T300 WeakPolarHBondContact O-CA 3.47Å; I287-T300 HydrophobicContact CB-CG2 4.5Å; I287-T300 HydrophobicContact CG1-CG2 4.15Å; I287-T300 HydrophobicContact CG2-CG2 4.2Å
301	I	82.9	Confident	74	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	119	178.7	-68.3	163.2	0	0	0	106.4	L7 I8 I255 I269 W273 K285 L286 L303 V306	L7-I301 HydrophobicContact CB-CG2 4.48Å; I8-I301 HydrophobicContact CG1-CD1 4.21Å; I8-I301 HydrophobicContact CG1-CG1 4.11Å; I255-I301 HydrophobicContact CD1-CD1 3.8Å; I269-I301 HydrophobicContact CD1-CD1 4.06Å; I269-I301 HydrophobicContact CD1-CG2 3.86Å; I269-I301 HydrophobicContact CG2-CD1 4.17Å; W273-I301 HydrophobicContact CH2-CD1 4.29Å; K285-I301 WeakPolarHBondContact CA-O 3.14Å; L286-I301 HydrophobicContact CB-CB 4.33Å; L286-I301 PolarHBondContact N-O 3.03Å; L286-I301 PolarHBondContact O-N 3.03Å; I301-L303 PolarHBondContact O-N 2.99Å; I301-V306 HydrophobicContact CG2-CG2 3.35Å
302	S	79.3	Confident	72.2	Confident	37 Å²	37	58.8 Å²	58.8	26%	0.259	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	120.2	175.5	-57.5	0	0	0	0	109.8	D304 R305	S302-D304 PolarHBondContact O-N 3.21Å; S302-R305 PolarHBondContact O-N 3.03Å
303	L	76.2	Confident	70.4	Confident	20 Å²	20	59.5 Å²	59.5	11%	0.105	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-65.6	-23.7	-175.5	-65.2	-177.8	0	0	0	112.6	F248 V281 N284 L286 I301 R305 V306	F248-L303 HydrophobicContact CE1-CD2 3.72Å; F248-L303 HydrophobicContact CE2-CD1 4.3Å; F248-L303 HydrophobicContact CE2-CD2 4.3Å; F248-L303 HydrophobicContact CZ-CD1 4.03Å; F248-L303 HydrophobicContact CZ-CD2 3.45Å; F248-L303 VanDerWaalsContact CZ-CD2 3.45Å; F248-L303 HydrophobicContact CZ-CG 4.4Å; V281-L303 HydrophobicContact CG1-CD1 3.87Å; N284-L303 WeakPolarHBondContact O-CB 3.2Å; N284-L303 PolarHBondContact O-N 3.22Å; N284-L303 VanDerWaalsContact O-N 3.09Å; L286-L303 HydrophobicContact CB-CD2 3.96Å; I301-L303 PolarHBondContact O-N 2.99Å; L303-R305 PolarHBondContact O-N 3.09Å; L303-V306 HydrophobicContact CD2-CB 4.43Å; L303-V306 HydrophobicContact CD2-CG2 3.98Å; L303-V306 PolarHBondContact O-N 3.44Å
304	D	67.3	Low	68.3	Low	128 Å²	128	61.1 Å²	61.1	68%	0.684	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-53.2	-18.5	168.8	-57.1	-51.6	0	0	0	115.2	N284 S302	N284-D304 VanDerWaalsContact ND2-CG 3.28Å; N284-D304 PolarHBondContact ND2-OD1 2.77Å; N284-D304 PolarHBondContact ND2-OD2 3.23Å; S302-D304 PolarHBondContact O-N 3.21Å
305	R	64.1	Low	66.3	Low	161 Å²	161	61.2 Å²	61.2	61%	0.608	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-118.4	-14	-176.6	-60.1	-177.1	177.5	-175.1	-0.7	113.9	L7 S302 L303	L7-R305 HydrophobicContact CD2-CB 3.42Å; L7-R305 VanDerWaalsContact CD2-CB 3.42Å; L7-R305 VanDerWaalsContact CD2-O 3.3Å; L7-R305 WeakPolarHBondContact CD2-O 3.31Å; S302-R305 PolarHBondContact O-N 3.03Å; L303-R305 PolarHBondContact O-N 3.09Å
306	V	65.9	Low	64	Low	6 Å²	6	66.1 Å²	66.1	4%	0.036	34%	0.342	C	S	.	.	S	Bend	trans	-68.8	149.9	159.7	-174.1	0	0	0	0	106.4	V257 D267 I269 I301 L303 P308	V257-V306 HydrophobicContact CG2-CG1 3.67Å; D267-V306 HydrophobicContact CB-CG1 4.19Å; I269-V306 HydrophobicContact CD1-CG1 4.24Å; I269-V306 HydrophobicContact CD1-CG2 3.73Å; I301-V306 HydrophobicContact CG2-CG2 3.35Å; L303-V306 HydrophobicContact CD2-CB 4.43Å; L303-V306 HydrophobicContact CD2-CG2 3.98Å; L303-V306 PolarHBondContact O-N 3.44Å; V306-P308 VanDerWaalsContact C-CD 3.41Å; V306-P308 WeakPolarHBondContact O-CD 3.21Å
307	I	63.9	Low	61.8	Low	63 Å²	63	71.4 Å²	71.4	32%	0.323	38%	0.376	S	S	.	.			trans	-101.1	85.5	167.6	-59.7	-172.3	0	0	0	107	R5 D267 F309	R5-I307 VanDerWaalsContact NH2-CD1 3.29Å; D267-I307 PolarHBondContact OD2-N 3.2Å; I307-F309 WeakPolarHBondContact CG2-O 3.14Å; I307-F309 PolarHBondContact O-N 2.79Å; I307-F309 VanDerWaalsContact O-N 3.11Å
308	P	53	Low	59.4	Low	40 Å²	40	77.3 Å²	77.3	26%	0.26	41%	0.406	S	S	.	.	S	Bend	trans	-62.8	-18.6	179.8	26.8	-35.4	0	0	0	112.6	L266 V306	L266-P308 WeakPolarHBondContact CD1-O 3.45Å; V306-P308 VanDerWaalsContact C-CD 3.41Å; V306-P308 WeakPolarHBondContact O-CD 3.21Å
309	F	54.6	Low	57.3	Low	80 Å²	80	81.8 Å²	81.8	35%	0.351	43%	0.426	S	S	.	.			trans	-135	95.4	173.7	-60.5	-71	0	0	0	111.5	E245 C246 L266 I307 Q311	E245-F309 HydrophobicContact CB-CE2 3.98Å; E245-F309 HydrophobicContact CB-CZ 3.48Å; E245-F309 VanDerWaalsContact CB-CZ 3.48Å; E245-F309 WeakPolarHBondContact O-CE1 3.5Å; E245-F309 WeakPolarHBondContact O-CZ 3.37Å; C246-F309 HydrophobicContact CB-CE1 4.41Å; C246-F309 HydrophobicContact CB-CZ 3.99Å; L266-F309 HydrophobicContact CD1-CD1 4.04Å; L266-F309 HydrophobicContact CD1-CE1 4.23Å; I307-F309 WeakPolarHBondContact CG2-O 3.14Å; I307-F309 PolarHBondContact O-N 2.79Å; I307-F309 VanDerWaalsContact O-N 3.11Å; F309-Q311 VanDerWaalsContact C-N 3.3Å; F309-Q311 PolarHBondContact O-N 2.88Å
310	Y	45.8	Very low	55.4	Low	140 Å²	140	88.9 Å²	88.9	55%	0.549	46%	0.456	S	S	.	.			trans	-76.6	87.8	162.5	-177.5	-108	0	0	0	109.1	L266 P312	L266-Y310 WeakPolarHBondContact O-CB 3.45Å; Y310-P312 HydrophobicContact CE1-CB 3.79Å; Y310-P312 HydrophobicContact CE1-CG 4.38Å; Y310-P312 WeakPolarHBondContact O-CD 3.48Å
311	Q	44.8	Very low	53.6	Low	151 Å²	151	90.3 Å²	90.3	71%	0.706	46%	0.462	S	S	*	.			trans	-74.7	109.4	157.5	-73.5	-175.3	-14.8	0	0	107.7	F309	F309-Q311 VanDerWaalsContact C-N 3.3Å; F309-Q311 PolarHBondContact O-N 2.88Å
312	P	45.5	Very low	52.1	Low	43 Å²	43	94 Å²	94	28%	0.279	48%	0.482	S	S	.	.			trans	-62.1	146.3	165	28.6	-33.7	0	0	0	108.1	Y310 N314 S315	Y310-P312 HydrophobicContact CE1-CB 3.79Å; Y310-P312 HydrophobicContact CE1-CG 4.38Å; Y310-P312 WeakPolarHBondContact O-CD 3.48Å; P312-N314 PolarHBondContact O-N 3.01Å; P312-S315 PolarHBondContact O-N 2.89Å; P312-S315 PolarHBondContact O-OG 2.81Å
313	P	44.8	Very low	50.6	Low	123 Å²	123	95.6 Å²	95.6	80%	0.799	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-3.2	-170.5	22.9	-34.2	0	0	0	115.9
314	N	40	Very low	49.5	Very low	157 Å²	157	96.1 Å²	96.1	84%	0.84	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	12.1	-179.5	-64	-3.8	0	0	0	113.9	P312	P312-N314 PolarHBondContact O-N 3.01Å
315	S	43.9	Very low	49.1	Very low	46 Å²	46	98.2 Å²	98.2	32%	0.322	51%	0.508	S	S	.	.			trans	-76.9	130.9	175.3	53.9	0	0	0	0	112.4	P312	P312-S315 PolarHBondContact O-N 2.89Å; P312-S315 PolarHBondContact O-OG 2.81Å
316	L	38.8	Very low	49.2	Very low	151 Å²	151	93 Å²	93	79%	0.791	49%	0.488	S	S	*	.			trans	-56.3	142.3	177.2	-71.7	164.1	0	0	0	112.4	N318	L316-N318 PolarHBondContact O-N 3.1Å
317	P	41.8	Very low	49.5	Very low	111 Å²	111	98.3 Å²	98.3	72%	0.721	51%	0.511	S	S	*	.	S	Bend	trans	-81.3	17.1	-168.8	35.2	-38.6	0	0	0	114.8	F319	P317-F319 PolarHBondContact O-N 3.2Å
318	N	37.1	Very low	50.2	Low	141 Å²	141	96.3 Å²	96.3	75%	0.754	50%	0.503	S	S	*	.			trans	-90.8	8.9	-159.4	-74.2	20.3	0	0	0	115.7	L316	L316-N318 PolarHBondContact O-N 3.1Å
319	F	42.7	Very low	51.1	Low	98 Å²	98	94.6 Å²	94.6	43%	0.43	49%	0.491	S	S	.	.			trans	-126.1	133.7	175.4	-160.6	-97.1	0	0	0	112.7	E261 P317 H321	E261-F319 HydrophobicContact CB-CE1 3.65Å; E261-F319 HydrophobicContact CB-CE2 4.26Å; E261-F319 HydrophobicContact CB-CZ 3.49Å; E261-F319 VanDerWaalsContact CB-CZ 3.49Å; E261-F319 HydrophobicContact CG-CZ 4.34Å; E261-F319 WeakPolarHBondContact O-CD1 3.4Å; E261-F319 WeakPolarHBondContact O-CE1 3.3Å; E261-F319 WeakPolarHBondContact OE2-CZ 3.46Å; P317-F319 PolarHBondContact O-N 3.2Å; F319-H321 AromaticContact CE1-CE1 3.9Å; F319-H321 AromaticContact CE1-CG 3.88Å; F319-H321 AromaticContact CE1-ND1 3.77Å
320	K	47.3	Very low	51.4	Low	156 Å²	156	94.7 Å²	94.7	68%	0.678	50%	0.499	S	S	*	.			trans	-123.1	112.4	172.2	-69.6	176.8	179.7	175.2	0	107.8	S323	K320-S323 WeakPolarHBondContact O-CB 3.49Å; K320-S323 PolarHBondContact O-N 3.41Å; K320-S323 PolarHBondContact O-OG 2.88Å
321	H	46.6	Very low	51.5	Low	45 Å²	45	97.7 Å²	97.7	21%	0.208	51%	0.509	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	150.9	164.3	-82	-72.6	0	0	0	109.9	E261 F319 S323	E261-H321 PolarHBondContact O-NE2 3.42Å; F319-H321 AromaticContact CE1-CE1 3.9Å; F319-H321 AromaticContact CE1-CG 3.88Å; F319-H321 AromaticContact CE1-ND1 3.77Å; H321-S323 PolarHBondContact O-N 2.94Å
322	N	49.7	Very low	51.2	Low	77 Å²	77	93.3 Å²	93.3	41%	0.412	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	11.3	-166.2	-63	-60.7	0	0	0	115.4	N243	N243-N322 PolarHBondContact O-ND2 2.87Å
323	S	49.3	Very low	50.8	Low	71 Å²	71	97.4 Å²	97.4	50%	0.497	52%	0.524	S	S	.	.			trans	-101.7	21.8	161.8	93.5	0	0	0	0	113.1	K320 H321	K320-S323 WeakPolarHBondContact O-CB 3.49Å; K320-S323 PolarHBondContact O-N 3.41Å; K320-S323 PolarHBondContact O-OG 2.88Å; H321-S323 PolarHBondContact O-N 2.94Å
324	T	53.3	Low	50	Low	30 Å²	30	99.4 Å²	99.4	18%	0.184	52%	0.523	C	S	.	.			trans	-70.1	146.5	170.9	82.6	0	0	0	0	109.1	E201 E261 R326	E201-T324 VanDerWaalsContact CD-OG1 3.25Å; E201-T324 WeakPolarHBondContact OE1-CB 3.39Å; E201-T324 VanDerWaalsContact OE1-CG2 3.25Å; E201-T324 WeakPolarHBondContact OE1-CG2 3.31Å; E201-T324 PolarHBondContact OE1-OG1 3.02Å; E261-T324 WeakPolarHBondContact OE2-CG2 3.27Å; T324-R326 PolarHBondContact O-N 3.15Å; T324-R326 WeakPolarHBondContact OG1-CB 3.31Å; T324-R326 WeakPolarHBondContact OG1-CG 3.32Å; T324-R326 PolarHBondContact OG1-N 3.47Å
325	N	57.5	Low	49.4	Very low	172 Å²	172	101.3 Å²	101.3	92%	0.92	52%	0.524	S	S	*	.			trans	-81.7	8.5	172.3	-74.8	-38.7	0	0	0	112.4
326	R	67.6	Low	48.6	Very low	51 Å²	51	108.5 Å²	108.5	19%	0.192	55%	0.549	C	S	.	.			trans	-67	152.1	-176	-58.8	175.7	-168.3	-73.4	4.1	110.7	D217 E219 E261 T324	D217-R326 VanDerWaalsContact CG-NH1 3.3Å; D217-R326 IonicContact OD2-CZ 3.28Å; D217-R326 IonicContact OD2-NH1 2.71Å; D217-R326 PolarHBondContact OD2-NH1 3.36Å; E219-R326 WeakPolarHBondContact OE2-CA 3.4Å; E261-R326 IonicContact OE1-CZ 3.09Å; E261-R326 IonicContact OE1-NE 2.81Å; E261-R326 PolarHBondContact OE1-NE 3.15Å; E261-R326 IonicContact OE1-NH2 3.78Å; E261-R326 PolarHBondContact OE1-NH2 3.48Å; T324-R326 PolarHBondContact O-N 3.15Å; T324-R326 WeakPolarHBondContact OG1-CB 3.31Å; T324-R326 WeakPolarHBondContact OG1-CG 3.32Å; T324-R326 PolarHBondContact OG1-N 3.47Å
327	K	72.4	Confident	48	Very low	118 Å²	118	112.3 Å²	112.3	51%	0.513	55%	0.553	S	S	.	*			trans	-61.3	154.4	171	-76.2	179.6	-178.8	82.7	0	110.9	F202 E219	F202-K327 HydrophobicContact CB-CB 4.47Å; F202-K327 HydrophobicContact CD1-CB 4.26Å; F202-K327 VanDerWaalsContact CD2-C 3.45Å; F202-K327 HydrophobicContact CD2-CB 3.8Å; F202-K327 VanDerWaalsContact CD2-O 3.31Å; F202-K327 WeakPolarHBondContact CD2-O 3.36Å; F202-K327 HydrophobicContact CE1-CB 4.48Å; F202-K327 HydrophobicContact CE2-CB 4.04Å; F202-K327 HydrophobicContact CG-CB 3.92Å; F202-K327 HydrophobicContact CZ-CB 4.39Å; F202-K327 PolarHBondContact N-O 2.64Å; E219-K327 HydrophobicContact CG-CD 4.46Å; E219-K327 WeakPolarHBondContact OE1-CG 3.39Å; E219-K327 IonicContact OE1-NZ 2.7Å; E219-K327 PolarHBondContact OE1-NZ 3.42Å; E219-K327 PolarHBondContact OE2-N 2.88Å
328	S	76.9	Confident	47.3	Very low	22 Å²	22	114.5 Å²	114.5	15%	0.154	56%	0.558	C	S	.	*	B	Isolated β-bridge	trans	-128.8	133	-176.6	169.3	0	0	0	0	110.7	F200 T330 R331	F200-S328 CarbonylContact O-C 3.53Å; F200-S328 WeakPolarHBondContact O-CA 3.45Å; F200-S328 WeakPolarHBondContact O-CB 3.48Å; F200-S328 PolarHBondContact O-OG 2.85Å; S328-T330 PolarHBondContact O-N 3.36Å; S328-T330 PolarHBondContact OG-OG1 3.25Å; S328-R331 PolarHBondContact O-N 3.28Å; S328-R331 VanDerWaalsContact O-N 3.11Å
329	F	73.6	Confident	46.9	Very low	3 Å²	3	113 Å²	113	1%	0.013	56%	0.559	C	S	.	*	G	3₁₀ helix	trans	-56.3	-34.6	-179.5	-69	-65.7	0	0	0	112	P155 D156 W159 F197 F200 E201 F202 L218	P155-F329 HydrophobicContact CB-CB 4.16Å; P155-F329 HydrophobicContact CB-CD2 4.36Å; P155-F329 HydrophobicContact CB-CG 4.37Å; P155-F329 HydrophobicContact CG-CB 4.45Å; P155-F329 HydrophobicContact CG-CD2 3.72Å; P155-F329 HydrophobicContact CG-CE2 4.18Å; P155-F329 HydrophobicContact CG-CG 4.17Å; D156-F329 HydrophobicContact CB-CB 4.32Å; D156-F329 HydrophobicContact CB-CD1 4.44Å; W159-F329 HydrophobicContact CE3-CE1 4.25Å; W159-F329 HydrophobicContact CZ3-CE1 4.48Å; F197-F329 HydrophobicContact CD1-CE2 4.17Å; F197-F329 AromaticContact CD1-CZ 3.71Å; F197-F329 HydrophobicContact CD1-CZ 3.71Å; F197-F329 HydrophobicContact CE1-CZ 4.13Å; F200-F329 PolarHBondContact O-N 3.24Å; E201-F329 WeakPolarHBondContact O-CD2 3.45Å; E201-F329 WeakPolarHBondContact O-CE2 3.43Å; F202-F329 HydrophobicContact CD2-CD1 4.01Å; F202-F329 HydrophobicContact CD2-CD2 4.41Å; F202-F329 HydrophobicContact CD2-CE1 4.06Å; F202-F329 HydrophobicContact CD2-CE2 4.48Å; F202-F329 HydrophobicContact CD2-CG 4.19Å; F202-F329 HydrophobicContact CD2-CZ 4.31Å; F202-F329 AromaticContact CE2-CD1 3.63Å; F202-F329 HydrophobicContact CE2-CD1 3.63Å; F202-F329 AromaticContact CE2-CE1 3.94Å; F202-F329 HydrophobicContact CE2-CE1 3.94Å; F202-F329 HydrophobicContact CE2-CG 4.06Å; F202-F329 HydrophobicContact CG-CE1 4.46Å; F202-F329 HydrophobicContact CG-CZ 4.5Å; F202-F329 HydrophobicContact CZ-CD1 4.14Å; F202-F329 HydrophobicContact CZ-CE1 4.21Å; L218-F329 HydrophobicContact CD1-CZ 3.94Å
330	T	60.9	Low	46.4	Very low	83 Å²	83	114.9 Å²	114.9	51%	0.509	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-78.5	-21.5	-178.5	60.9	0	0	0	0	113.8	F200 S328 G332 N333	F200-T330 HydrophobicContact CD1-CG2 4.31Å; S328-T330 PolarHBondContact O-N 3.36Å; S328-T330 PolarHBondContact OG-OG1 3.25Å; T330-G332 PolarHBondContact O-N 2.89Å; T330-N333 PolarHBondContact O-N 2.88Å
331	R	47.3	Very low	45.4	Very low	202 Å²	202	110.7 Å²	110.7	76%	0.762	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-70	-16.9	178.6	-75.9	-173.5	178.2	176.7	2.7	113.6	S328	S328-R331 PolarHBondContact O-N 3.28Å; S328-R331 VanDerWaalsContact O-N 3.11Å
332	G	38.3	Very low	44.5	Very low	60 Å²	60	112.2 Å²	112.2	62%	0.619	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-73.7	-23.5	177.4	0	0	0	0	0	114.8	T330 Q334	T330-G332 PolarHBondContact O-N 2.89Å; G332-Q334 PolarHBondContact O-N 3.23Å
333	N	36	Very low	43.5	Very low	129 Å²	129	113.4 Å²	113.4	69%	0.69	63%	0.627	S	S	*	*			trans	-82.2	39.8	-170.9	-90.2	-32	0	0	0	114.8	T330 K335	T330-N333 PolarHBondContact O-N 2.88Å; N333-K335 PolarHBondContact O-N 2.87Å
334	Q	28.6	Very low	42.4	Very low	164 Å²	164	119.6 Å²	119.6	77%	0.766	65%	0.645	S	S	*	*			trans	-72.1	119.1	161.1	-67.8	-159.4	40.8	0	0	109.2	G332 F336	G332-Q334 PolarHBondContact O-N 3.23Å; Q334-F336 PolarHBondContact O-N 3.09Å
335	K	27.6	Very low	41.4	Very low	198 Å²	198	124.4 Å²	124.4	86%	0.861	68%	0.677	S	S	*	*			trans	-59.2	112.2	176.3	-68.4	-178.5	177.9	-178.8	0	109.7	N333 R337	N333-K335 PolarHBondContact O-N 2.87Å; K335-R337 VanDerWaalsContact C-N 3.29Å; K335-R337 PolarHBondContact O-N 3.02Å
336	F	27.2	Very low	39.8	Very low	197 Å²	197	120.5 Å²	120.5	86%	0.864	67%	0.669	S	S	*	*			trans	-61.2	91.7	166.8	-81.5	-85.4	0	0	0	109.5	Q334 L338	Q334-F336 PolarHBondContact O-N 3.09Å; F336-L338 VanDerWaalsContact C-N 3.32Å; F336-L338 PolarHBondContact O-N 2.91Å
337	R	26.3	Very low	37.8	Very low	231 Å²	231	127.2 Å²	127.2	87%	0.872	70%	0.702	S	S	*	*			trans	-75.9	89.1	173.5	-175.4	177.3	-177.8	146.7	2.4	108.1	K335 S339	K335-R337 VanDerWaalsContact C-N 3.29Å; K335-R337 PolarHBondContact O-N 3.02Å; R337-S339 PolarHBondContact O-N 3.37Å
338	L	27.6	Very low	35.5	Very low	156 Å²	156	127.6 Å²	127.6	82%	0.817	71%	0.714	S	S	*	*			trans	-54.1	99.7	169.2	-71.5	169.1	0	0	0	109.5	F336 V340	F336-L338 VanDerWaalsContact C-N 3.32Å; F336-L338 PolarHBondContact O-N 2.91Å; L338-V340 VanDerWaalsContact C-N 3.35Å; L338-V340 PolarHBondContact O-N 3.39Å; L338-V340 VanDerWaalsContact O-N 3.08Å
339	S	27.8	Very low	33	Very low	111 Å²	111	136 Å²	136	78%	0.776	75%	0.751	S	S	*	*			trans	-77.5	88.3	171	52.3	0	0	0	0	108.3	R337 G341	R337-S339 PolarHBondContact O-N 3.37Å; S339-G341 PolarHBondContact O-N 3.33Å
340	V	31.6	Very low	30.7	Very low	137 Å²	137	144 Å²	144	83%	0.83	79%	0.789	S	S	*	*			trans	-60.7	100.9	169.8	178	0	0	0	0	108	L338 G342	L338-V340 VanDerWaalsContact C-N 3.35Å; L338-V340 PolarHBondContact O-N 3.39Å; L338-V340 VanDerWaalsContact O-N 3.08Å; V340-G342 PolarHBondContact O-N 2.62Å
341	G	27.3	Very low	28.9	Very low	68 Å²	68	149.2 Å²	149.2	70%	0.701	81%	0.807	S	S	*	*			trans	-64.2	123	174.5	0	0	0	0	0	109.6	S339 A343	S339-G341 PolarHBondContact O-N 3.33Å; G341-A343 PolarHBondContact O-N 3.01Å; G341-A343 VanDerWaalsContact O-N 3.14Å
342	G	27.8	Very low	27.9	Very low	77 Å²	77	147 Å²	147	79%	0.794	81%	0.805	S	S	*	*			trans	-70.9	107.6	-176.8	0	0	0	0	0	111.9	V340	V340-G342 PolarHBondContact O-N 2.62Å
343	A	27.8	Very low	27.3	Very low	102 Å²	102	152.8 Å²	152.8	84%	0.843	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-66.7	130.4	170.5	0	0	0	0	0	110.8	G341	G341-A343 PolarHBondContact O-N 3.01Å; G341-A343 VanDerWaalsContact O-N 3.14Å
344	K	27.1	Very low	26.9	Very low	201 Å²	201	150.4 Å²	150.4	87%	0.874	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-103.7	143.9	160.1	-84.6	-173.3	173.7	-178.6	0	109
345	P	31.2	Very low	26.8	Very low	130 Å²	130	150.1 Å²	150.1	84%	0.844	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-90.5	136.3	-168.1	34.3	-35.2	0	0	0	114
346	A	24.8	Very low	26.9	Very low	91 Å²	91	150.3 Å²	150.3	75%	0.752	83%	0.826	S	S	*	*			trans	-168.9	145.5	160.8	0	0	0	0	0	107.4
347	Q	25	Very low	26.8	Very low	191 Å²	191	146.8 Å²	146.8	89%	0.893	83%	0.826	S	S	*	*			cis	-153.3	161.8	-17.4	-137.2	169.9	-13.4	0	0	107.7
348	V	24.5	Very low	26.9	Very low	127 Å²	127	139.4 Å²	139.4	77%	0.77	82%	0.823	S	S	*	*			trans	-81.8	134.1	177.7	176.8	0	0	0	0	110.5	E350	V348-E350 HydrophobicContact CG1-CG 4.24Å
349	Q	25.3	Very low	26.9	Very low	197 Å²	197	140.5 Å²	140.5	92%	0.921	83%	0.828	S	S	*	*			trans	-138.9	135.9	152.3	-100.7	177.4	-29.6	0	0	108.5
350	E	24.6	Very low	26.8	Very low	173 Å²	173	140.9 Å²	140.9	81%	0.808	83%	0.831	S	S	*	*			trans	-100.7	151.3	179.4	-59.1	168.3	124	0	0	109.1	V348	V348-E350 HydrophobicContact CG1-CG 4.24Å
351	E	24.1	Very low	26.6	Very low	191 Å²	191	139.6 Å²	139.6	89%	0.893	83%	0.828	S	S	*	*			trans	-171	131	131.3	-106.6	169.2	-154.6	0	0	113.9
352	H	26.4	Very low	26.7	Very low	156 Å²	156	141.4 Å²	141.4	72%	0.722	83%	0.827	S	S	*	*			trans	11.4	125.1	161.4	-74.7	-92.5	0	0	0	125.1
353	E	25.7	Very low	26.5	Very low	181 Å²	181	145.2 Å²	145.2	85%	0.846	83%	0.829	S	S	*	*				47.9	133	121.6	-61.6	-179.9	126.1	0	0	123.2
354	G	26	Very low	26.5	Very low	79 Å²	79	150.4 Å²	150.4	81%	0.814	83%	0.829	S	S	*	*			trans	173.4	119.8	159.4	0	0	0	0	0	114.3
355	D	26.3	Very low	26.3	Very low	158 Å²	158	146 Å²	146	85%	0.845	82%	0.823	S	S	*	*			trans	-69.1	137.3	178.7	-66.5	-58.4	0	0	0	113.7
356	K	30.3	Very low	26.1	Very low	202 Å²	202	147.6 Å²	147.6	88%	0.878	82%	0.824	S	S	*	*				175.9	164.3	111.1	-96.3	158.6	-172.4	168.4	0	114.9
357	S	25.3	Very low	26	Very low	123 Å²	123	151.7 Å²	151.7	86%	0.86	83%	0.827	S	S	*	*			trans	-74.6	147.4	177.5	46.5	0	0	0	0	113.8
358	G	27.8	Very low	26.2	Very low	77 Å²	77	148.5 Å²	148.5	79%	0.794	82%	0.821	S	S	*	*			trans	-173.3	129.2	172.3	0	0	0	0	0	112.8
359	L	27.8	Very low	26.2	Very low	178 Å²	178	148.3 Å²	148.3	93%	0.932	82%	0.819	S	S	*	*			trans	-81.5	137.1	179.3	-69.8	146.3	0	0	0	111.7
360	S	25.9	Very low	26.3	Very low	119 Å²	119	145.9 Å²	145.9	83%	0.832	81%	0.813	S	S	*	*			trans	179.4	153.5	132.9	43.5	0	0	0	0	112.6
361	S	26.9	Very low	26.4	Very low	110 Å²	110	146.8 Å²	146.8	77%	0.769	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-85.1	133.8	178.2	-48.7	0	0	0	0	111.7	N363	S361-N363 PolarHBondContact O-N 2.7Å
362	P	29.5	Very low	26.7	Very low	106 Å²	106	141.9 Å²	141.9	69%	0.688	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-74.1	119.7	170.1	-14.7	29.9	0	0	0	111.4	Y364	P362-Y364 HydrophobicContact CB-CD2 4.47Å; P362-Y364 HydrophobicContact CB-CE2 4.15Å
363	N	24	Very low	26.8	Very low	157 Å²	157	141.2 Å²	141.2	84%	0.84	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-71.3	129.6	162.7	-76.2	-49.5	0	0	0	109.4	S361	S361-N363 PolarHBondContact O-N 2.7Å
364	Y	27.8	Very low	27	Very low	212 Å²	212	140.9 Å²	140.9	83%	0.831	82%	0.819	S	S	*	*			trans	-106.7	88.8	167.3	-85.6	-80.4	0	0	0	110.6	P362 L366	P362-Y364 HydrophobicContact CB-CD2 4.47Å; P362-Y364 HydrophobicContact CB-CE2 4.15Å; Y364-L366 PolarHBondContact O-N 3.4Å
365	S	24	Very low	27	Very low	107 Å²	107	146 Å²	146	75%	0.748	82%	0.822	S	S	*	*			trans	-74.4	110.8	164.5	46.8	0	0	0	0	109.7
366	L	25.7	Very low	27.1	Very low	164 Å²	164	143.9 Å²	143.9	86%	0.859	82%	0.819	S	S	*	*			trans	-88.9	103.2	172.7	-81.5	163.6	0	0	0	109.9	Y364	Y364-L366 PolarHBondContact O-N 3.4Å
367	E	24	Very low	27	Very low	177 Å²	177	139 Å²	139	83%	0.827	82%	0.816	S	S	*	*			trans	-75.3	140.6	170.1	-65.8	-169.7	134.2	0	0	111.1	V369	E367-V369 PolarHBondContact O-N 3.06Å
368	V	27.4	Very low	27	Very low	125 Å²	125	141.8 Å²	141.8	76%	0.758	82%	0.816	S	S	*	*			trans	-92.7	96.8	178.9	179.4	0	0	0	0	109	N370	V368-N370 PolarHBondContact O-N 3.39Å
369	V	25	Very low	27	Very low	122 Å²	122	143.9 Å²	143.9	74%	0.739	81%	0.813	S	S	*	*			trans	-80.4	109.2	173	-177.7	0	0	0	0	109.4	E367 E371	E367-V369 PolarHBondContact O-N 3.06Å; V369-E371 HydrophobicContact CG1-CG 4.32Å
370	N	28.7	Very low	26.8	Very low	147 Å²	147	140.3 Å²	140.3	79%	0.786	80%	0.803	S	S	*	*			trans	-85.8	103.1	167.8	-71	-39.7	0	0	0	109.2	V368 A372	V368-N370 PolarHBondContact O-N 3.39Å; N370-A372 PolarHBondContact O-N 2.82Å
371	E	26.3	Very low	27.3	Very low	191 Å²	191	139.7 Å²	139.7	89%	0.893	80%	0.796	S	S	*	*			trans	-79.1	116.7	167.1	-74.1	-163.4	140.8	0	0	110.7	V369	V369-E371 HydrophobicContact CG1-CG 4.32Å
372	A	29.6	Very low	27.3	Very low	88 Å²	88	142.9 Å²	142.9	73%	0.727	80%	0.801	S	S	*	*			trans	-126.6	119.3	168.2	0	0	0	0	0	109.5	N370	N370-A372 PolarHBondContact O-N 2.82Å
373	V	29.5	Very low	27.2	Very low	142 Å²	142	142.4 Å²	142.4	86%	0.861	80%	0.8	S	S	*	*			trans	32.6	107.3	160.3	-169.9	0	0	0	0	117.1
374	L	28.6	Very low	27.3	Very low	175 Å²	175	140.4 Å²	140.4	92%	0.916	80%	0.798	S	S	*	*			trans	-101.9	121.7	162.5	-103.5	166.2	0	0	0	110.7
375	E	26.6	Very low	27.2	Very low	187 Å²	187	138.1 Å²	138.1	87%	0.874	80%	0.8	S	S	*	*			trans	-137.2	148.7	162.3	-162.1	164	-128.9	0	0	107.6
376	S	28.9	Very low	28.1	Very low	113 Å²	113	138.1 Å²	138.1	79%	0.79	80%	0.797	S	S	*	*			trans	-122.6	130	-147.2	57.6	0	0	0	0	116.4
377	A	27.8	Very low	29.1	Very low	98 Å²	98	135.5 Å²	135.5	81%	0.81	79%	0.79	S	S	*	*			trans	-157.1	105.8	160.6	0	0	0	0	0	114.7
378	E	25.8	Very low	29.3	Very low	183 Å²	183	132.6 Å²	132.6	86%	0.855	78%	0.784	S	S	*	*			trans	38.2	117.8	138.4	-53.4	-170.4	149	0	0	124.3
379	T	26.5	Very low	29.3	Very low	120 Å²	120	134.5 Å²	134.5	74%	0.736	78%	0.784	S	S	*	*			trans	65.3	96.2	133.9	60.1	0	0	0	0	124
380	S	24	Very low	29.4	Very low	104 Å²	104	135.7 Å²	135.7	73%	0.727	79%	0.786	S	S	*	*				39	156.4	111.9	63.9	0	0	0	0	123.8
381	P	37.5	Very low	29.3	Very low	106 Å²	106	132.9 Å²	132.9	69%	0.688	78%	0.783	S	S	*	*			cis	-145.2	-176.9	-25.1	40	-20.7	0	0	0	116.7
382	M	26.5	Very low	29.3	Very low	177 Å²	177	128.7 Å²	128.7	87%	0.872	78%	0.775	S	S	*	*			trans	70.6	146.5	155.9	-80.8	171.7	66.7	0	0	118.9
383	S	26.3	Very low	29.2	Very low	95 Å²	95	132.8 Å²	132.8	66%	0.664	78%	0.781	S	S	*	*			cis	-161.4	171.2	14.1	48.2	0	0	0	0	115.1
384	S	26.1	Very low	29.1	Very low	115 Å²	115	131 Å²	131	80%	0.804	78%	0.782	S	S	*	*			trans	67.2	118.9	150	52.9	0	0	0	0	123.2
385	L	25.7	Very low	29	Very low	164 Å²	164	126.7 Å²	126.7	86%	0.859	78%	0.779	S	S	*	*			trans	-96.4	-174.5	154.8	-78.7	168.6	0	0	0	109.8
386	P	43	Very low	29.1	Very low	108 Å²	108	123 Å²	123	70%	0.701	77%	0.774	S	S	*	*			cis	-126.4	-128	-39.9	33.7	-11.4	0	0	0	107.8
387	P	47	Very low	29	Very low	108 Å²	108	122.4 Å²	122.4	70%	0.701	77%	0.769	S	S	*	*			cis	-128.2	-170.3	-34.5	30.2	-8	0	0	0	113.8
388	V	29	Very low	29	Very low	117 Å²	117	121.9 Å²	121.9	71%	0.709	77%	0.765	S	S	*	*				161.1	131.3	120.7	158.8	0	0	0	0	114.8
389	H	27	Very low	29	Very low	164 Å²	164	120.2 Å²	120.2	76%	0.759	76%	0.762	S	S	*	*			trans	37.5	153.2	155.8	-69.1	-39.7	0	0	0	124.1
390	L	27.2	Very low	29	Very low	147 Å²	147	122.4 Å²	122.4	77%	0.77	77%	0.769	S	S	*	*			cis	173	150.1	-20.1	-158.3	77.2	0	0	0	107.2
391	A	27	Very low	29.1	Very low	88 Å²	88	121.4 Å²	121.4	73%	0.727	77%	0.767	S	S	*	*			trans	87.6	135.1	139.2	0	0	0	0	0	124.2
392	S	26.8	Very low	29.7	Very low	103 Å²	103	121.4 Å²	121.4	72%	0.72	77%	0.767	S	S	*	*				123.1	96.1	118.9	-160.7	0	0	0	0	119.5
393	M	27.7	Very low	29.7	Very low	175 Å²	175	120 Å²	120	86%	0.862	76%	0.758	S	S	*	*			trans	71.6	112.9	135.4	-69.2	-166.7	143.9	0	0	123.4
394	A	26.2	Very low	29.6	Very low	105 Å²	105	123 Å²	123	87%	0.868	76%	0.761	S	S	*	*				50.5	130.8	110.7	0	0	0	0	0	122.2
395	G	26.7	Very low	29.6	Very low	83 Å²	83	123 Å²	123	86%	0.856	76%	0.756	S	S	*	*			trans	-170.2	154.5	164.5	0	0	0	0	0	109.7
396	S	27.7	Very low	29.7	Very low	111 Å²	111	120.6 Å²	120.6	78%	0.776	75%	0.748	S	S	*	*			trans	-131.1	167.3	-165.2	65.7	0	0	0	0	115.8
397	S	27.6	Very low	28.8	Very low	99 Å²	99	126.6 Å²	126.6	69%	0.692	76%	0.758	S	S	*	*			trans	62.1	106.2	143.5	58.9	0	0	0	0	120.8
398	A	28.4	Very low	27.8	Very low	88 Å²	88	124.6 Å²	124.6	73%	0.727	76%	0.757	S	S	*	*				78.3	137.4	110.9	0	0	0	0	0	122.9
399	D	25.4	Very low	27.7	Very low	147 Å²	147	123 Å²	123	79%	0.786	76%	0.764	S	S	*	*			trans	85.3	135	136.5	-72.8	-12.7	0	0	0	125.2
400	L	27.2	Very low	27.7	Very low	166 Å²	166	119.6 Å²	119.6	87%	0.869	76%	0.764	S	S	*	*			trans	70.9	127.6	147	-69.7	163.5	0	0	0	121.7
401	A	25	Very low	27.8	Very low	84 Å²	84	120.5 Å²	120.5	69%	0.694	77%	0.768	S	S	*	*			trans	-94.1	-162.7	159	0	0	0	0	0	108.6
402	P	49.9	Very low	27.9	Very low	105 Å²	105	123.1 Å²	123.1	68%	0.682	77%	0.77	S	S	*	*			cis	-139.6	-164.7	-1.8	20.3	8.8	0	0	0	115.2
403	H	26.4	Very low	28	Very low	149 Å²	149	123.3 Å²	123.3	69%	0.69	77%	0.772	S	S	*	*			trans	106.9	130.5	148.3	-80.2	-81.4	0	0	0	123.4
404	H	25	Very low	28.1	Very low	156 Å²	156	119 Å²	119	72%	0.722	76%	0.763	S	S	*	*			trans	82.1	115.6	139.9	-75.6	-51.7	0	0	0	124.4
405	V	26.4	Very low	28.1	Very low	117 Å²	117	121.7 Å²	121.7	71%	0.709	76%	0.762	S	S	*	*				103.8	105.5	117.5	166.6	0	0	0	0	122.2
406	V	26.3	Very low	28.2	Very low	113 Å²	113	128.5 Å²	128.5	69%	0.685	76%	0.762	S	S	*	*			trans	58.6	121	130.5	-176.4	0	0	0	0	122.2
407	Y	25.7	Very low	28.2	Very low	234 Å²	234	132.8 Å²	132.8	92%	0.918	77%	0.77	S	S	*	*				-178	150.3	119	-104.6	-79.5	0	0	0	108.5
408	G	25.1	Very low	28	Very low	65 Å²	65	131.9 Å²	131.9	67%	0.67	78%	0.777	S	S	*	*			cis	162.4	104.1	-17.2	0	0	0	0	0	114.9
409	G	26.4	Very low	28	Very low	84 Å²	84	137.2 Å²	137.2	87%	0.866	78%	0.783	S	S	*	*			trans	80.8	167.2	167.2	0	0	0	0	0	117.6
410	A	28.4	Very low	28	Very low	92 Å²	92	141.7 Å²	141.7	76%	0.76	79%	0.791	S	S	*	*			cis	-167.8	-168.7	-12.9	0	0	0	0	0	110.9
411	I	28.2	Very low	28	Very low	167 Å²	167	138.4 Å²	138.4	86%	0.856	78%	0.782	S	S	*	*			trans	77.7	134.8	171.9	69.2	153.8	0	0	0	120.3
412	D	29.3	Very low	28	Very low	143 Å²	143	146.2 Å²	146.2	77%	0.765	79%	0.793	S	S	*	*			cis	-165.7	162.9	-23.8	-151	-10.7	0	0	0	113.6
413	S	28.8	Very low	26.9	Very low	107 Å²	107	147 Å²	147	75%	0.748	80%	0.796	S	S	*	*			trans	70.2	156.8	153.3	78	0	0	0	0	121.4
414	A	29.9	Very low	27.4	Very low	83 Å²	83	145.3 Å²	145.3	69%	0.686	80%	0.798	S	S	*	*			cis	-173.9	146.6	-34.1	0	0	0	0	0	111.4
415	L	27.3	Very low	27.5	Very low	162 Å²	162	144.1 Å²	144.1	85%	0.848	80%	0.797	S	S	*	*			trans	157.1	112.5	132.2	-85.4	162.1	0	0	0	118.3
416	R	28.5	Very low	27.6	Very low	227 Å²	227	144.7 Å²	144.7	86%	0.857	80%	0.796	S	S	*	*			trans	26	109.8	143.6	-66.5	-174.4	172.1	-141.7	-2.5	124.3
417	Q	26.4	Very low	27.6	Very low	200 Å²	200	147.7 Å²	147.7	94%	0.935	81%	0.805	S	S	*	*				30.1	137.8	112.7	-63.1	-176.9	-5.4	0	0	123.3
418	G	25.2	Very low	27.7	Very low	81 Å²	81	140.8 Å²	140.8	84%	0.835	80%	0.796	S	S	*	*			trans	-168.3	137.1	150.8	0	0	0	0	0	112.8
419	K	27.7	Very low	27.9	Very low	200 Å²	200	142.7 Å²	142.7	87%	0.87	80%	0.799	S	S	*	*			trans	-119.1	151.1	177.8	-67.2	-178.1	179	-179.6	0	111
420	Y	25.8	Very low	27.9	Very low	240 Å²	240	149.7 Å²	149.7	94%	0.941	80%	0.801	S	S	*	*			trans	-165.2	176.5	138.8	-99.6	-60.7	0	0	0	111.3
421	S	26.2	Very low	27.7	Very low	98 Å²	98	149 Å²	149	69%	0.685	80%	0.803	S	S	*	*			trans	-137.1	154.7	-158.7	56.2	0	0	0	0	115.1
422	R	25.1	Very low	27.7	Very low	248 Å²	248	147.1 Å²	147.1	94%	0.936	81%	0.805	S	S	*	*			trans	179.8	157.8	134.4	-102.6	168.2	-177.9	-175.7	-0	113.7
423	V	27.4	Very low	27.6	Very low	122 Å²	122	145.4 Å²	145.4	74%	0.739	80%	0.804	S	S	*	*			trans	-116.6	161.2	162.8	-147	0	0	0	0	107
424	P	37	Very low	27.5	Very low	113 Å²	113	151.7 Å²	151.7	73%	0.734	81%	0.813	S	S	*	*				-148.5	148.9	90.3	38.8	-21.2	0	0	0	116.4
425	D	26.7	Very low	27.3	Very low	130 Å²	130	151.2 Å²	151.2	70%	0.695	82%	0.816	S	S	*	*				33.9	145.8	120.3	-56.4	12.3	0	0	0	120.6
426	N	28.5	Very low	27.3	Very low	130 Å²	130	148.2 Å²	148.2	70%	0.695	82%	0.815	S	S	*	*			cis	-163.7	172.3	2.8	-133.5	-49.1	0	0	0	113.8
427	M	26.6	Very low	27.3	Very low	176 Å²	176	145.3 Å²	145.3	87%	0.867	82%	0.815	S	S	*	*			trans	65.6	151.4	159.7	-73.2	178.9	128.4	0	0	119
428	A	28.4	Very low	27.3	Very low	88 Å²	88	141.2 Å²	141.2	73%	0.727	80%	0.799	S	S	*	*			cis	150.3	152.2	-12	0	0	0	0	0	106.5
429	S	27.8	Very low	27.4	Very low	105 Å²	105	144.4 Å²	144.4	73%	0.734	80%	0.802	S	S	*	*			cis	-165.6	-163.3	-12.7	-172.4	0	0	0	0	108.8
430	Y	27.5	Very low	27.4	Very low	231 Å²	231	145.2 Å²	145.2	91%	0.906	80%	0.8	S	S	*	*			trans	78.6	133.7	-172.7	-54	-74.2	0	0	0	114.3
431	G	24.6	Very low	27.4	Very low	78 Å²	78	141.8 Å²	141.8	80%	0.804	80%	0.797	S	S	*	*			cis	137.7	137.5	7.9	0	0	0	0	0	108.2
432	S	27.7	Very low	27.5	Very low	128 Å²	128	145.6 Å²	145.6	90%	0.895	81%	0.806	S	S	*	*			cis	-142.6	-173.8	26.1	-164.5	0	0	0	0	112.4
433	S	26.1	Very low	27.6	Very low	106 Å²	106	138.2 Å²	138.2	74%	0.741	79%	0.793	S	S	*	*			trans	-121.3	163.8	-166.2	58.1	0	0	0	0	115.8
434	Y	27	Very low	27.6	Very low	239 Å²	239	138.8 Å²	138.8	94%	0.937	79%	0.791	S	S	*	*			trans	-113.2	142.6	151.8	-86.6	-92.4	0	0	0	109.2
435	G	25.1	Very low	27.2	Very low	74 Å²	74	141 Å²	141	76%	0.763	80%	0.796	S	S	*	*			trans	-114.9	-178.3	167.7	0	0	0	0	0	110.9
436	A	27.9	Very low	27	Very low	99 Å²	99	143.2 Å²	143.2	82%	0.818	80%	0.803	S	S	*	*			cis	-130.3	-159.9	1.9	0	0	0	0	0	109.5
437	I	28	Very low	27.6	Very low	166 Å²	166	142.6 Å²	142.6	85%	0.851	81%	0.806	S	S	*	*			cis	-145	149.9	40.9	-48.2	178.8	0	0	0	110
438	D	26.4	Very low	27.6	Very low	114 Å²	114	139.5 Å²	139.5	61%	0.61	80%	0.802	S	S	*	*			trans	-69.6	146.2	178.2	-121.2	-54.9	0	0	0	113.6	R440	D438-R440 WeakPolarHBondContact OD1-CG 3.47Å; D438-R440 IonicContact OD1-NE 3.9Å
439	T	27.6	Very low	27.5	Very low	147 Å²	147	140.3 Å²	140.3	90%	0.902	80%	0.802	S	S	*	*			trans	-152.2	106	145.7	5.4	0	0	0	0	108.7
440	R	28.5	Very low	27.4	Very low	218 Å²	218	142.9 Å²	142.9	82%	0.823	81%	0.807	S	S	*	*			trans	-89	139.2	179.6	-61.1	-176.3	-178.1	-172.5	-1.7	111.3	D438	D438-R440 WeakPolarHBondContact OD1-CG 3.47Å; D438-R440 IonicContact OD1-NE 3.9Å
441	L	25.2	Very low	27.3	Very low	167 Å²	167	140.7 Å²	140.7	87%	0.874	80%	0.804	S	S	*	*			trans	-143.5	125	154.5	-155.2	151.3	0	0	0	108.8
442	M	29.2	Very low	27.3	Very low	178 Å²	178	145.5 Å²	145.5	88%	0.877	80%	0.803	S	S	*	*			trans	-142.4	133.5	173.1	-101.3	-66.4	-168.7	0	0	109.1
443	S	26.8	Very low	27.8	Very low	93 Å²	93	144.6 Å²	144.6	65%	0.65	79%	0.794	S	S	*	*			trans	-74.4	171.4	164	57.3	0	0	0	0	109.6
444	L	27.8	Very low	27.6	Very low	134 Å²	134	145.2 Å²	145.2	70%	0.702	79%	0.789	S	S	*	*			cis	-161.6	149.4	14.1	-144.2	158.5	0	0	0	107.7
445	N	27	Very low	27.5	Very low	159 Å²	159	140.4 Å²	140.4	85%	0.85	78%	0.778	S	S	*	*			trans	176.4	142.3	137.9	-89.5	-17.3	0	0	0	112
446	E	24.5	Very low	27.6	Very low	177 Å²	177	146.4 Å²	146.4	83%	0.827	78%	0.779	S	S	*	*			trans	-93.9	-174.6	175.9	-51.3	-175.8	118.1	0	0	110.5
447	P	39.4	Very low	27.6	Very low	117 Å²	117	148 Å²	148	76%	0.76	77%	0.774	S	S	*	*			cis	-135.9	149.6	-3.6	39.5	-22.4	0	0	0	116.8
448	S	26.3	Very low	27.4	Very low	112 Å²	112	148.2 Å²	148.2	78%	0.783	78%	0.776	S	S	*	*			trans	159.8	150.3	149.3	59.8	0	0	0	0	108.7
449	S	26.3	Very low	27.9	Very low	104 Å²	104	153 Å²	153	73%	0.727	79%	0.787	S	S	*	*			cis	171.5	147.5	-12.4	-86.4	0	0	0	0	104.5
450	L	26	Very low	28.2	Very low	160 Å²	160	151.2 Å²	151.2	84%	0.838	78%	0.778	S	S	*	*			trans	63.4	110	168.1	-92.6	68.3	0	0	0	120.5
451	H	25.7	Very low	28.1	Very low	185 Å²	185	148 Å²	148	86%	0.856	78%	0.777	S	S	*	*				67.3	145.6	120.7	-98.4	56.7	0	0	0	123.9
452	K	24.7	Very low	28.3	Very low	178 Å²	178	145.8 Å²	145.8	77%	0.774	77%	0.765	S	S	*	*			trans	-61.6	170.2	165.2	-69.9	-171.1	175.1	-165.3	0	112.5
453	P	37.5	Very low	28.2	Very low	110 Å²	110	144.9 Å²	144.9	71%	0.714	76%	0.757	S	S	*	*			cis	-143.8	175.5	21.9	43.9	-24.6	0	0	0	119.4
454	D	23.6	Very low	28.2	Very low	119 Å²	119	145.7 Å²	145.7	64%	0.636	75%	0.753	S	S	*	*			trans	0.8	134.1	144.5	-52.4	-67.1	0	0	0	122.2
455	I	24.9	Very low	28.4	Very low	138 Å²	138	146.9 Å²	146.9	71%	0.708	76%	0.755	S	S	*	*			trans	84.1	134.8	130.1	-70.5	171.4	0	0	0	122.1
456	Y	25.9	Very low	28.4	Very low	199 Å²	199	147.7 Å²	147.7	78%	0.78	75%	0.754	S	S	*	*			trans	67	125	162.4	-73.2	-45.8	0	0	0	123.7
457	N	29.1	Very low	28.7	Very low	132 Å²	132	143 Å²	143	71%	0.706	75%	0.746	S	S	*	*			trans	37.7	134.9	132.1	-56.1	-8.1	0	0	0	122
458	L	24.1	Very low	28.1	Very low	172 Å²	172	144.2 Å²	144.2	90%	0.901	75%	0.746	S	S	*	*				-162.5	149.9	113	-129.2	71	0	0	0	113.1
459	Y	35.5	Very low	28.3	Very low	214 Å²	214	144 Å²	144	84%	0.839	74%	0.739	S	S	*	*			trans	-106.6	158.6	164.2	-95.1	-84.4	0	0	0	109.7
460	P	34.6	Very low	28.3	Very low	109 Å²	109	146 Å²	146	71%	0.708	74%	0.737	S	S	*	*				-121.8	146.3	115.7	-0.5	21.8	0	0	0	110.7
461	L	26.8	Very low	28.3	Very low	152 Å²	152	146 Å²	146	80%	0.796	73%	0.733	S	S	*	*				64.7	141.8	62.7	-67.1	165.8	0	0	0	112.6
462	D	28.5	Very low	28.3	Very low	120 Å²	120	143.8 Å²	143.8	64%	0.642	73%	0.727	S	S	*	*			cis	-156.9	166.5	35.4	-165.1	20.7	0	0	0	114.7
463	K	28.1	Very low	28.3	Very low	159 Å²	159	142.5 Å²	142.5	69%	0.691	72%	0.723	S	S	*	*			trans	75.1	137.3	164.2	-50.3	-155.8	179.1	-165.7	0	118.3
464	N	27	Very low	27.7	Very low	109 Å²	109	145.4 Å²	145.4	58%	0.583	73%	0.725	S	S	*	*			cis	-163.5	171.5	-1.5	-100.8	10.7	0	0	0	105.5
465	E	30.3	Very low	27.8	Very low	159 Å²	159	146 Å²	146	74%	0.743	73%	0.728	S	S	*	*			cis	-171.4	152.3	-8.9	-100.4	154.8	163.8	0	0	104.3
466	E	28	Very low	28.1	Very low	177 Å²	177	146.4 Å²	146.4	83%	0.827	73%	0.731	S	S	*	*			cis	-165.6	160.9	-26.7	-153.7	174.9	-138	0	0	108.3
467	A	30.4	Very low	28.2	Very low	78 Å²	78	143.1 Å²	143.1	65%	0.645	73%	0.727	S	S	*	*			trans	56.1	140.8	158.9	0	0	0	0	0	121.4
468	D	26.3	Very low	28.1	Very low	142 Å²	142	143.2 Å²	143.2	76%	0.759	73%	0.728	S	S	*	*			cis	-144.4	146.4	-0.6	-91.3	-33.1	0	0	0	109.1
469	V	30.8	Very low	28.2	Very low	108 Å²	108	140.8 Å²	140.8	66%	0.655	73%	0.725	S	S	*	*			cis	84.5	131.9	42	174.3	0	0	0	0	110.9
470	Q	27.2	Very low	27.9	Very low	145 Å²	145	138.2 Å²	138.2	68%	0.678	73%	0.726	S	S	*	*			cis	-146.4	157	8.8	-119.4	148.2	6.7	0	0	109.9
471	Q	25.1	Very low	28.6	Very low	162 Å²	162	138.3 Å²	138.3	76%	0.757	73%	0.726	S	S	*	*				51.9	152.7	93.8	-51	-178	-19.9	0	0	116
472	L	26.4	Very low	29.2	Very low	138 Å²	138	135.9 Å²	135.9	72%	0.723	72%	0.72	S	S	*	*			cis	-149.5	-177.4	37.6	-98.3	100.3	0	0	0	115.3
473	E	24.9	Very low	29.1	Very low	150 Å²	150	137.1 Å²	137.1	70%	0.701	73%	0.725	S	S	*	*			trans	-64.9	172	173.4	-56	151.2	128.3	0	0	113.6
474	F	25.3	Very low	29.1	Very low	171 Å²	171	136.6 Å²	136.6	75%	0.75	73%	0.729	S	S	*	*				-167.6	-162.4	67.7	-121.4	-82.7	0	0	0	115.1
475	N	24.2	Very low	29.1	Very low	132 Å²	132	138.1 Å²	138.1	71%	0.706	74%	0.737	S	S	*	*			trans	-87.4	175.7	-155.3	-86.3	-51.5	0	0	0	119.5
476	L	31.4	Very low	29.1	Very low	146 Å²	146	136.6 Å²	136.6	76%	0.764	73%	0.734	S	S	*	*			trans	-51.7	147.7	173.2	-51.1	84.3	0	0	0	115
477	N	28.3	Very low	29.3	Very low	130 Å²	130	137.7 Å²	137.7	70%	0.695	73%	0.732	S	S	*	*				-173.6	158.7	103.4	-121.3	36.1	0	0	0	115.6
478	D	26.3	Very low	29.2	Very low	135 Å²	135	139.8 Å²	139.8	72%	0.722	73%	0.732	S	S	*	*			trans	69.9	146.9	149.3	-68.1	-44.8	0	0	0	125.4
479	S	27.9	Very low	29.5	Very low	120 Å²	120	139 Å²	139	84%	0.839	73%	0.728	S	S	*	*			trans	83.3	104.5	155.3	-56.9	0	0	0	0	121.8
480	N	28.2	Very low	29.7	Very low	160 Å²	160	142.9 Å²	142.9	86%	0.856	73%	0.732	S	S	*	*			trans	-96	177.2	159.7	-98.9	-38.5	0	0	0	110.5
481	P	48.7	Very low	29.9	Very low	111 Å²	111	142.7 Å²	142.7	72%	0.721	73%	0.731	S	S	*	*			cis	-121	-115.7	-15.8	25.9	-0.3	0	0	0	108.9
482	P	40	Very low	30.3	Very low	101 Å²	101	141.9 Å²	141.9	66%	0.656	73%	0.729	S	S	*	*			cis	-133.5	-168.7	-37.4	28.6	-4	0	0	0	115.7
483	I	27.2	Very low	30.4	Very low	147 Å²	147	139 Å²	139	75%	0.754	73%	0.725	S	S	*	*			trans	85.7	98.9	158.1	-44.9	-172.4	0	0	0	119.5
484	L	27.3	Very low	30.8	Very low	148 Å²	148	139.8 Å²	139.8	78%	0.775	73%	0.729	S	S	*	*				29.3	143.4	125.2	-61.4	159.1	0	0	0	119.7
485	N	26.6	Very low	31.1	Very low	140 Å²	140	138 Å²	138	75%	0.749	73%	0.728	S	S	*	*			cis	-166	-176.5	48.1	-141.5	-11.8	0	0	0	115.6
486	N	29.8	Very low	31.5	Very low	127 Å²	127	140 Å²	140	68%	0.679	73%	0.73	S	S	*	*			trans	-80.3	163.3	-167.4	-72.3	-22.3	0	0	0	120.2
487	Y	33	Very low	32.2	Very low	201 Å²	201	139 Å²	139	79%	0.788	73%	0.733	S	S	*	*			trans	80.1	132.3	139.5	-85.5	-59.3	0	0	0	124.6
488	D	27.7	Very low	32.3	Very low	121 Å²	121	138.4 Å²	138.4	65%	0.647	73%	0.733	S	S	*	*			trans	84.8	124.8	137.7	-75.6	-19.9	0	0	0	126.3
489	N	32.5	Very low	32.4	Very low	126 Å²	126	138.7 Å²	138.7	67%	0.674	74%	0.735	S	S	*	*			trans	58.5	130.9	145.3	-53.2	-40.3	0	0	0	120.6
490	Y	35.3	Very low	32.4	Very low	189 Å²	189	140.5 Å²	140.5	74%	0.741	73%	0.73	S	S	*	*				-167.4	142.9	69	-119.7	-96.1	0	0	0	114.3
491	E	32.7	Very low	32.2	Very low	141 Å²	141	139.6 Å²	139.6	66%	0.659	73%	0.725	S	S	*	*			trans	39.3	153.8	147.5	-71.2	177.5	173.1	0	0	123.2
492	M	32.6	Very low	31.2	Very low	146 Å²	146	141.8 Å²	141.8	72%	0.719	73%	0.73	S	S	*	*			cis	-154.7	-177.3	4.8	-129.2	-179.8	-159.9	0	0	107.7
493	A	29.6	Very low	30.5	Very low	77 Å²	77	143 Å²	143	64%	0.636	73%	0.731	S	S	*	*			cis	-154.2	161.8	1	0	0	0	0	0	106.2
494	E	32.9	Very low	30.4	Very low	166 Å²	166	145.9 Å²	145.9	78%	0.776	73%	0.734	S	S	*	*			cis	81.8	129.4	36.2	-73.2	-169.2	-152.8	0	0	116.8
495	D	30.8	Very low	30.3	Very low	135 Å²	135	146.9 Å²	146.9	72%	0.722	74%	0.738	S	S	*	*			cis	-162.2	-172.9	-21.6	-143.4	5.5	0	0	0	115.8
496	F	32.1	Very low	30.2	Very low	173 Å²	173	145.1 Å²	145.1	76%	0.759	73%	0.732	S	S	*	*			trans	-53.8	-173.6	171	-85.8	-76.9	0	0	0	116.3
497	P	46.8	Very low	30	Very low	126 Å²	126	145.2 Å²	145.2	82%	0.818	73%	0.733	S	S	*	*			cis	-150.2	-165.8	25.2	46.3	-22.9	0	0	0	120.1
498	V	29.4	Very low	29.6	Very low	116 Å²	116	141.8 Å²	141.8	70%	0.703	73%	0.728	S	S	*	*			trans	-91.8	145	-177.1	169.7	0	0	0	0	113.1
499	N	29.2	Very low	29.5	Very low	142 Å²	142	146.8 Å²	146.8	76%	0.759	74%	0.74	S	S	*	*			trans	-172.7	-178	131.6	-114	-60.6	0	0	0	119.2
500	Q	27.6	Very low	29.2	Very low	158 Å²	158	149.7 Å²	149.7	74%	0.738	75%	0.746	S	S	*	*			trans	-92.8	163.7	-164.9	-56.4	162.8	11.2	0	0	116
501	N	25.4	Very low	29.4	Very low	140 Å²	140	146.2 Å²	146.2	75%	0.749	75%	0.747	S	S	*	*			trans	43.2	110.7	147.6	-68.8	-34.7	0	0	0	121.1
502	L	26.9	Very low	29.2	Very low	157 Å²	157	145.6 Å²	145.6	82%	0.822	75%	0.752	S	S	*	*				177.2	130	109.3	-97.8	153.7	0	0	0	115.2
503	N	24.8	Very low	29.8	Very low	127 Å²	127	144.3 Å²	144.3	68%	0.679	76%	0.755	S	S	*	*			trans	28.3	126.7	143	-76.1	-11.4	0	0	0	123.8
504	Y	25.6	Very low	29.8	Very low	207 Å²	207	144.4 Å²	144.4	81%	0.812	76%	0.756	S	S	*	*			trans	55.3	121.3	140.8	-76.3	-95	0	0	0	121.1
505	I	25.3	Very low	29.6	Very low	169 Å²	169	142.7 Å²	142.7	87%	0.867	76%	0.757	S	S	*	*				-164.6	158.5	105.8	-100.3	161.4	0	0	0	111.1
506	T	24.6	Very low	29.6	Very low	103 Å²	103	140.7 Å²	140.7	63%	0.632	75%	0.754	S	S	*	*			trans	-108.3	151.9	-170.5	51.7	0	0	0	0	114
507	N	24.5	Very low	29.6	Very low	130 Å²	130	138.5 Å²	138.5	70%	0.695	76%	0.755	S	S	*	*			trans	151.4	122.1	136.1	-78.1	-32.6	0	0	0	111.6
508	N	25.9	Very low	29	Very low	128 Å²	128	139.7 Å²	139.7	68%	0.684	75%	0.752	S	S	*	*				66.5	132.9	98.5	-60.5	-34.4	0	0	0	114.1
509	Y	26	Very low	29	Very low	226 Å²	226	141.3 Å²	141.3	89%	0.886	76%	0.757	S	S	*	*				-147.4	165.7	52.3	-98.1	-99.1	0	0	0	116.4
510	K	25.5	Very low	29	Very low	188 Å²	188	138.5 Å²	138.5	82%	0.817	75%	0.753	S	S	*	*			trans	-101.5	-172.9	164.4	-72.2	-178.8	178.7	178.3	0	109.1
511	P	39.9	Very low	29.1	Very low	116 Å²	116	137 Å²	137	75%	0.753	76%	0.761	S	S	*	*			cis	-124.1	172	4.5	10.9	18.5	0	0	0	114.7
512	V	26.9	Very low	29.4	Very low	127 Å²	127	135.8 Å²	135.8	77%	0.77	76%	0.763	S	S	*	*				65.8	139.1	60.2	-173.7	0	0	0	0	112.5
513	P	46.3	Very low	29.6	Very low	119 Å²	119	137.8 Å²	137.8	77%	0.773	77%	0.765	S	S	*	*			cis	-120.2	-163.9	19.7	22.8	4.7	0	0	0	114.4
514	A	28.9	Very low	29.8	Very low	79 Å²	79	137.5 Å²	137.5	65%	0.653	77%	0.773	S	S	*	*			cis	-158.5	132.1	24.1	0	0	0	0	0	113.3
515	T	29.4	Very low	30	Very low	130 Å²	130	134 Å²	134	80%	0.798	77%	0.767	S	S	*	*				68.2	141.5	99.6	64.9	0	0	0	0	118.8
516	S	31.1	Very low	30.2	Very low	94 Å²	94	134.4 Å²	134.4	66%	0.657	76%	0.762	S	S	*	*			cis	-179.1	177.2	-15.5	53.2	0	0	0	0	112.4
517	T	31	Very low	30.4	Very low	127 Å²	127	139.8 Å²	139.8	78%	0.779	78%	0.777	S	S	*	*			trans	78	147.2	168.2	80.7	0	0	0	0	115.8
518	I	33.7	Very low	30.6	Very low	150 Å²	150	139 Å²	139	77%	0.769	78%	0.777	S	S	*	*			cis	-161.4	158.1	-3.4	-126.4	174.5	0	0	0	107.8
519	N	30.5	Very low	30.7	Very low	150 Å²	150	139 Å²	139	80%	0.802	78%	0.782	S	S	*	*			cis	-151.5	-160.4	-5.6	-155.7	-14.7	0	0	0	110.4
520	A	30.1	Very low	30.8	Very low	83 Å²	83	134.3 Å²	134.3	69%	0.686	78%	0.777	S	S	*	*			trans	-91.5	162.9	-170.1	0	0	0	0	0	118.5
521	S	28.5	Very low	30.9	Very low	128 Å²	128	131 Å²	131	90%	0.895	77%	0.773	S	S	*	*				-172.6	165.8	108	57.7	0	0	0	0	112.8
522	S	32	Very low	30.3	Very low	113 Å²	113	131.8 Å²	131.8	79%	0.79	78%	0.776	S	S	*	*			trans	-133.8	162	-172.7	61.4	0	0	0	0	112.8
523	K	31.3	Very low	30.5	Very low	199 Å²	199	132.6 Å²	132.6	87%	0.865	78%	0.775	S	S	*	*			trans	-161.5	130.3	163.8	-111.8	154	-169.8	169.7	0	113.1
524	S	28.8	Very low	29.8	Very low	121 Å²	121	134.4 Å²	134.4	85%	0.846	77%	0.773	S	S	*	*			trans	-135.1	144.8	164.9	57.6	0	0	0	0	109.6
525	I	30.3	Very low	29.9	Very low	135 Å²	135	139.3 Å²	139.3	69%	0.692	78%	0.779	S	S	*	*			trans	-153.2	137	-164.7	-75.7	-178.5	0	0	0	106.1
526	K	29.4	Very low	29.8	Very low	176 Å²	176	143.7 Å²	143.7	77%	0.765	78%	0.781	S	S	*	*			cis	-157.6	150.6	-10	-106.8	174.7	-169.3	176.5	0	107.3
527	K	27.9	Very low	29.5	Very low	216 Å²	216	144.8 Å²	144.8	94%	0.939	78%	0.784	S	S	*	*			trans	-142.8	143.5	152.5	-82.8	-168.9	176.2	179.6	0	109.1
528	T	28.1	Very low	29.3	Very low	115 Å²	115	144.2 Å²	144.2	71%	0.706	78%	0.781	S	S	*	*			trans	-140.7	106.1	-171.9	39.6	0	0	0	0	108.4
529	T	28.6	Very low	29	Very low	126 Å²	126	143.5 Å²	143.5	77%	0.773	78%	0.778	S	S	*	*				78.5	115.6	87.6	46.3	0	0	0	0	116.3
530	T	27.9	Very low	28.9	Very low	128 Å²	128	143 Å²	143	79%	0.785	78%	0.776	S	S	*	*			trans	-175.7	113.6	139.3	24.6	0	0	0	0	107.9
531	T	28.2	Very low	28.8	Very low	119 Å²	119	147.5 Å²	147.5	73%	0.73	79%	0.785	S	S	*	*				62.5	134	90.3	61.4	0	0	0	0	115
532	T	27.8	Very low	28.9	Very low	133 Å²	133	146.5 Å²	146.5	82%	0.816	78%	0.784	S	S	*	*			cis	-159.9	-177.8	5.9	1.4	0	0	0	0	111.5
533	L	31.4	Very low	28.6	Very low	143 Å²	143	145.1 Å²	145.1	75%	0.749	79%	0.787	S	S	*	*			trans	-101.9	161	-172	-68.2	87.5	0	0	0	116.6
534	H	31.1	Very low	28.5	Very low	157 Å²	157	140 Å²	140	73%	0.727	78%	0.782	S	S	*	*			trans	94.5	110.2	134.4	-85.8	-12.8	0	0	0	124.4
535	K	30.2	Very low	28.6	Very low	183 Å²	183	143.5 Å²	143.5	80%	0.796	78%	0.782	S	S	*	*				91.1	147.3	118.7	-133.3	171.9	-170.7	171	0	121.7
536	R	26.9	Very low	28.7	Very low	222 Å²	222	146.4 Å²	146.4	84%	0.838	79%	0.793	S	S	*	*			trans	84.8	99.5	158.8	-87	-172	171.8	162.6	-2.8	122.9
537	T	26.3	Very low	28.6	Very low	116 Å²	116	144.3 Å²	144.3	71%	0.712	80%	0.795	S	S	*	*				56	143.4	116.9	53	0	0	0	0	125.2
538	T	27.4	Very low	28.7	Very low	116 Å²	116	139.2 Å²	139.2	71%	0.712	79%	0.786	S	S	*	*			trans	85	120.2	145.2	40.7	0	0	0	0	123.7
539	N	27.4	Very low	28.9	Very low	135 Å²	135	140.1 Å²	140.1	72%	0.722	79%	0.792	S	S	*	*			trans	76	120.7	132.7	-65.5	8.6	0	0	0	124.6
540	N	27.5	Very low	28.9	Very low	139 Å²	139	137.4 Å²	137.4	74%	0.743	79%	0.789	S	S	*	*				70.4	121.6	127.7	-69.2	5.2	0	0	0	124.7
541	M	28.5	Very low	29	Very low	178 Å²	178	139 Å²	139	88%	0.877	79%	0.791	S	S	*	*			trans	72.8	129.9	131.2	-89.5	-174.9	151.1	0	0	123.8
542	A	28.9	Very low	29.1	Very low	107 Å²	107	142.7 Å²	142.7	88%	0.884	80%	0.797	S	S	*	*			trans	71.4	141	139.7	0	0	0	0	0	120.5
543	G	26.1	Very low	29.1	Very low	83 Å²	83	140 Å²	140	86%	0.856	80%	0.795	S	S	*	*			trans	157.7	91.6	176.1	0	0	0	0	0	112.1
544	A	30.4	Very low	28.9	Very low	91 Å²	91	136.7 Å²	136.7	75%	0.752	80%	0.797	S	S	*	*			trans	-98.1	167.1	-166	0	0	0	0	0	115.5
545	K	29.8	Very low	28.8	Very low	196 Å²	196	134.8 Å²	134.8	85%	0.852	80%	0.801	S	S	*	*			trans	76.2	128.5	162.4	-58.7	176	176.6	178.1	0	118.6
546	Q	32.3	Very low	28.8	Very low	196 Å²	196	134.8 Å²	134.8	92%	0.916	80%	0.801	S	S	*	*				-156.4	167.8	100.2	-101.9	179.1	34.2	0	0	111.6
547	T	27.3	Very low	28.9	Very low	132 Å²	132	131.1 Å²	131.1	81%	0.81	80%	0.797	S	S	*	*			trans	-150.6	132	-164	49.4	0	0	0	0	113.5
548	S	31.1	Very low	29	Very low	108 Å²	108	130.6 Å²	130.6	76%	0.755	80%	0.798	S	S	*	*			trans	-173.3	121.4	158.9	25.5	0	0	0	0	109.1
549	T	30.9	Very low	29.1	Very low	135 Å²	135	133.6 Å²	133.6	83%	0.828	80%	0.804	S	S	*	*				50.7	121	86.2	64.3	0	0	0	0	114.1
550	G	29.2	Very low	29.1	Very low	68 Å²	68	133.7 Å²	133.7	70%	0.701	81%	0.809	S	S	*	*			cis	99.8	124.6	3.3	0	0	0	0	0	114
551	I	31.1	Very low	29.1	Very low	163 Å²	163	131.5 Å²	131.5	84%	0.836	81%	0.805	S	S	*	*			trans	-174.3	153.5	164.9	-102	150.9	0	0	0	112.4
552	F	29.3	Very low	29.1	Very low	195 Å²	195	127.4 Å²	127.4	86%	0.855	79%	0.794	S	S	*	*			trans	-22.2	164.1	169.4	-65.8	-103.5	0	0	0	120.7
553	G	27.1	Very low	28.9	Very low	76 Å²	76	129 Å²	129	78%	0.784	79%	0.792	S	S	*	*			cis	104.1	144.1	4.4	0	0	0	0	0	114.5
554	G	27.7	Very low	28.9	Very low	75 Å²	75	129.6 Å²	129.6	77%	0.773	78%	0.783	S	S	*	*			cis	169.7	153.2	-6.4	0	0	0	0	0	112.3
555	S	28.8	Very low	28.9	Very low	117 Å²	117	130 Å²	130	82%	0.818	78%	0.781	S	S	*	*			trans	-132.6	128.2	-179.3	50.2	0	0	0	0	112.4
556	K	30.8	Very low	28.9	Very low	183 Å²	183	127.7 Å²	127.7	80%	0.796	77%	0.774	S	S	*	*				84.8	137.7	50.1	-76.3	-172.9	173.5	-177.5	0	113.3
557	L	29.9	Very low	28.9	Very low	145 Å²	145	125.1 Å²	125.1	76%	0.759	76%	0.762	S	S	*	*			cis	-173.6	140.4	-13.2	-126.2	175.3	0	0	0	111.6
558	S	28.2	Very low	28.9	Very low	104 Å²	104	124.8 Å²	124.8	73%	0.727	76%	0.755	S	S	*	*			trans	178.1	118	150.1	44.7	0	0	0	0	110
559	Q	29.6	Very low	28.9	Very low	180 Å²	180	127.4 Å²	127.4	84%	0.841	76%	0.755	S	S	*	*				72	138.7	85.8	-75.8	-171.3	-1.6	0	0	114.2
560	V	27.5	Very low	28.7	Very low	136 Å²	136	129.1 Å²	129.1	82%	0.824	75%	0.751	S	S	*	*			cis	-129.4	-171.7	7.1	-175.5	0	0	0	0	110.3
561	S	26.7	Very low	28.8	Very low	94 Å²	94	133.7 Å²	133.7	66%	0.657	76%	0.758	S	S	*	*			trans	-103.6	162.4	-162.4	59.2	0	0	0	0	118.1
562	S	27.8	Very low	28.6	Very low	92 Å²	92	132.8 Å²	132.8	64%	0.643	76%	0.756	S	S	*	*			trans	70.8	121.4	133.9	62.4	0	0	0	0	123.5
563	V	25.9	Very low	28.6	Very low	140 Å²	140	129.7 Å²	129.7	85%	0.848	75%	0.748	S	S	*	*				66.5	134.4	123.4	179	0	0	0	0	117.5
564	S	25.6	Very low	28.6	Very low	96 Å²	96	132.5 Å²	132.5	67%	0.671	75%	0.745	S	S	*	*			cis	-155	172.1	11	43.1	0	0	0	0	112.4
565	S	31.2	Very low	28.6	Very low	100 Å²	100	137.9 Å²	137.9	70%	0.699	75%	0.752	S	S	*	*			trans	73.1	150	154.3	-64.4	0	0	0	0	117.4
566	M	29.9	Very low	28.5	Very low	146 Å²	146	137.7 Å²	137.7	72%	0.719	75%	0.746	S	S	*	*			cis	-165.9	162.1	-9	-95.2	155.7	85.4	0	0	104.7
567	E	30.8	Very low	28.4	Very low	142 Å²	142	136.5 Å²	136.5	66%	0.664	75%	0.747	S	S	*	*			cis	-173.9	162.1	-9.7	-104.1	174.6	178.4	0	0	106.5
568	L	28.7	Very low	28.1	Very low	126 Å²	126	139.8 Å²	139.8	66%	0.66	76%	0.756	S	S	*	*			cis	-166	163.6	-24.8	-148.2	56.9	0	0	0	108.3
569	H	29.9	Very low	28	Very low	163 Å²	163	144.4 Å²	144.4	76%	0.755	76%	0.763	S	S	*	*			trans	58.3	127.1	162	-68.9	-54.6	0	0	0	119.5
570	K	26.5	Very low	27.7	Very low	170 Å²	170	140.4 Å²	140.4	74%	0.739	75%	0.754	S	S	*	*			cis	58.2	103.8	31.2	-66.5	-167.4	172.6	-168.7	0	114
571	L	31.1	Very low	27.5	Very low	164 Å²	164	139 Å²	139	86%	0.859	75%	0.751	S	S	*	*				40.8	109.9	75.4	-75.6	172.3	0	0	0	113.1
572	D	28	Very low	27.5	Very low	145 Å²	145	139.2 Å²	139.2	78%	0.775	75%	0.752	S	S	*	*			trans	-165.9	171.5	147.5	-102	-39.4	0	0	0	112.4
573	D	28.3	Very low	27.5	Very low	130 Å²	130	139.3 Å²	139.3	70%	0.695	75%	0.753	S	S	*	*			trans	75.1	96.3	158	-73.7	-38.7	0	0	0	123.1
574	N	27.2	Very low	27.5	Very low	134 Å²	134	139.5 Å²	139.5	72%	0.717	75%	0.749	S	S	*	*				56.7	128.2	106.5	-76.9	-54.4	0	0	0	121.6
575	M	27.9	Very low	27.4	Very low	188 Å²	188	141 Å²	141	93%	0.926	75%	0.754	S	S	*	*			trans	-142.4	129.4	152.2	-108	-67.1	-176.5	0	0	111
576	V	26.7	Very low	27.1	Very low	114 Å²	114	142.6 Å²	142.6	69%	0.691	76%	0.759	S	S	*	*			trans	-120.7	121.7	-178.9	170.4	0	0	0	0	110.7
577	L	28.2	Very low	27	Very low	157 Å²	157	142.4 Å²	142.4	82%	0.822	76%	0.761	S	S	*	*			trans	33.9	119.3	156.8	-64.6	169.6	0	0	0	119.1
578	K	25.4	Very low	27.1	Very low	215 Å²	215	144 Å²	144	94%	0.935	77%	0.766	S	S	*	*			trans	-145.7	143.5	131.8	-115.2	160.1	-169.8	173.6	0	114.5
579	K	24.5	Very low	27.1	Very low	201 Å²	201	144.5 Å²	144.5	87%	0.874	77%	0.769	S	S	*	*			trans	-76.6	165.4	173.6	-76.2	175.3	-178.2	177.8	0	109.6
580	S	25	Very low	27	Very low	95 Å²	95	145.4 Å²	145.4	66%	0.664	77%	0.771	S	S	*	*			cis	-176	-174	-2.2	43.4	0	0	0	0	109.3
581	S	23.2	Very low	27.3	Very low	107 Å²	107	148.4 Å²	148.4	75%	0.748	78%	0.778	S	S	*	*			trans	80.2	151.7	154.6	-50	0	0	0	0	117
582	S	26.3	Very low	28.1	Very low	99 Å²	99	145.7 Å²	145.7	69%	0.692	77%	0.77	S	S	*	*			cis	-172.6	143.7	-19.8	48.9	0	0	0	0	112.4
583	S	27.9	Very low	28	Very low	94 Å²	94	147 Å²	147	66%	0.657	77%	0.773	S	S	*	*			trans	40.1	129.2	144.8	61.8	0	0	0	0	123.1
584	N	24.7	Very low	28	Very low	143 Å²	143	144.1 Å²	144.1	77%	0.765	77%	0.774	S	S	*	*				-178.6	128.5	119.8	-90.2	-29.6	0	0	0	110.6
585	V	24.4	Very low	28.1	Very low	127 Å²	127	143.2 Å²	143.2	77%	0.77	78%	0.779	S	S	*	*				69.9	118.2	80.7	172.2	0	0	0	0	111.1
586	V	25.6	Very low	28.1	Very low	134 Å²	134	138.1 Å²	138.1	81%	0.812	77%	0.766	S	S	*	*				-146.1	163.5	59.6	176.4	0	0	0	0	113.5
587	N	26.5	Very low	28.2	Very low	143 Å²	143	141.5 Å²	141.5	77%	0.765	78%	0.775	S	S	*	*			trans	-135.9	151.6	172	179.7	10.3	0	0	0	111.6
588	K	33.4	Very low	28.2	Very low	175 Å²	175	139.2 Å²	139.2	76%	0.761	77%	0.772	S	S	*	*			trans	178.4	141.8	162	-99.5	150.1	-173.5	176.4	0	108.6
589	N	28.9	Very low	28.2	Very low	136 Å²	136	136.7 Å²	136.7	73%	0.727	76%	0.763	S	S	*	*			cis	-144.5	179.1	15.7	-87.5	-60.1	0	0	0	108.6
590	K	27.9	Very low	28.2	Very low	183 Å²	183	135 Å²	135	80%	0.796	76%	0.756	S	S	*	*			cis	-151.7	133.9	-4.1	-117.1	169.1	-178.7	-178.7	0	103.5
591	R	32.8	Very low	28.2	Very low	233 Å²	233	135 Å²	135	88%	0.879	76%	0.756	S	S	*	*				58.8	136.7	75.5	-75.6	-160.3	-176.2	-164.4	3.6	116.8
592	P	48.3	Very low	28.5	Very low	106 Å²	106	138.7 Å²	138.7	69%	0.688	76%	0.759	S	S	*	*			cis	-144.2	-173.4	-25.5	40.9	-22	0	0	0	116.6
593	M	25.3	Very low	28.5	Very low	172 Å²	172	141.5 Å²	141.5	85%	0.847	76%	0.761	S	S	*	*			trans	81.5	151.1	-177.7	-44.6	-52.9	-85.7	0	0	114.1
594	G	28	Very low	28.5	Very low	70 Å²	70	143.2 Å²	143.2	72%	0.722	76%	0.763	S	S	*	*			cis	130.1	147.2	-6.9	0	0	0	0	0	112.7
595	S	28.9	Very low	28.6	Very low	116 Å²	116	143.5 Å²	143.5	81%	0.811	76%	0.764	S	S	*	*			cis	-170.4	175.2	-7	64.2	0	0	0	0	108.4
596	A	29.1	Very low	28.9	Very low	80 Å²	80	146.8 Å²	146.8	66%	0.661	77%	0.771	S	S	*	*			cis	-161.4	173.5	9.9	0	0	0	0	0	113.1
597	Q	28.6	Very low	29.1	Very low	186 Å²	186	149.2 Å²	149.2	87%	0.869	77%	0.774	S	S	*	*			trans	76.7	142.9	147.7	-77.3	179.4	-21.2	0	0	124.2
598	S	27.5	Very low	29.3	Very low	109 Å²	109	151.6 Å²	151.6	76%	0.762	78%	0.777	S	S	*	*			trans	60.4	126.6	172.6	43.2	0	0	0	0	118
599	Q	26.4	Very low	29	Very low	162 Å²	162	150 Å²	150	76%	0.757	78%	0.777	S	S	*	*			cis	72.9	135.1	29.1	-60.2	-173.1	-12.2	0	0	115
600	F	24.1	Very low	29.2	Very low	164 Å²	164	151.1 Å²	151.1	72%	0.719	78%	0.781	S	S	*	*			cis	-161.1	144.3	6.5	-125.1	-46.4	0	0	0	111.6
601	S	24.9	Very low	29	Very low	95 Å²	95	149.3 Å²	149.3	66%	0.664	78%	0.78	S	S	*	*			trans	40.4	150.5	140.5	61	0	0	0	0	123.1
602	K	28.8	Very low	28.8	Very low	186 Å²	186	144.4 Å²	144.4	81%	0.809	78%	0.776	S	S	*	*			cis	-176.4	178.4	2.3	-117.2	-177.7	176.9	-173.8	0	111.2
603	E	25.7	Very low	27.8	Very low	157 Å²	157	147.5 Å²	147.5	73%	0.734	78%	0.781	S	S	*	*			trans	86.2	142.1	156.5	-53.8	-135.9	142.1	0	0	118.5
604	N	28.2	Very low	28	Very low	130 Å²	130	146.9 Å²	146.9	70%	0.695	78%	0.78	S	S	*	*			cis	-153.1	159.9	-14.8	-120	-26.6	0	0	0	112.7
605	N	27.5	Very low	28.1	Very low	149 Å²	149	149.8 Å²	149.8	80%	0.797	78%	0.777	S	S	*	*			trans	-92.1	152.3	177.2	-97	-15.7	0	0	0	112.9
606	Q	29.8	Very low	28	Very low	196 Å²	196	150.3 Å²	150.3	92%	0.916	78%	0.776	S	S	*	*			trans	-161.1	112.4	138.4	-120.4	169.6	93.7	0	0	112.9
607	Q	30.5	Very low	28.2	Very low	185 Å²	185	155.2 Å²	155.2	86%	0.864	78%	0.782	S	S	*	*			trans	-142.6	138.9	172.4	-153.6	165.3	6.3	0	0	107.6
608	K	31.1	Very low	28.3	Very low	193 Å²	193	152 Å²	152	84%	0.839	78%	0.777	S	S	*	*			trans	-102	120.9	-173.8	-70	-178.9	178.7	177.8	0	110.3
609	N	27.8	Very low	28.4	Very low	143 Å²	143	153 Å²	153	77%	0.765	78%	0.781	S	S	*	*			trans	-78	147.5	175.1	-67.8	0.6	0	0	0	111.2
610	I	31.5	Very low	28.5	Very low	159 Å²	159	154.2 Å²	154.2	82%	0.815	79%	0.789	S	S	*	*			trans	-114.5	122.9	161.5	-63.1	174.5	0	0	0	106
611	N	24.7	Very low	28.7	Very low	145 Å²	145	153.6 Å²	153.6	78%	0.775	78%	0.782	S	S	*	*			trans	-86.1	144	175.7	-74.1	-0.4	0	0	0	110.3
612	V	28.2	Very low	29	Very low	130 Å²	130	154.3 Å²	154.3	79%	0.788	79%	0.787	S	S	*	*			trans	-122.9	122.7	169	178.4	0	0	0	0	107.6
613	E	27.3	Very low	29.1	Very low	171 Å²	171	156.2 Å²	156.2	80%	0.799	79%	0.789	S	S	*	*			trans	-81.7	132.9	-179.9	-63.9	-176.2	134.5	0	0	111.2
614	I	29.4	Very low	29.2	Very low	159 Å²	159	154.5 Å²	154.5	82%	0.815	79%	0.79	S	S	*	*			trans	-99.7	102.6	176.7	-59.6	176.5	0	0	0	108.4	T616	I614-T616 HydrophobicContact CG2-CG2 4.47Å
615	I	29.7	Very low	29.2	Very low	130 Å²	130	152.6 Å²	152.6	67%	0.667	78%	0.783	S	S	*	*			trans	-103.7	107	175.9	-58.3	176.3	0	0	0	108.9
616	T	27.7	Very low	29.3	Very low	127 Å²	127	152.3 Å²	152.3	78%	0.779	78%	0.781	S	S	*	*			trans	-84.1	143.6	172.4	49.6	0	0	0	0	111.1	I614	I614-T616 HydrophobicContact CG2-CG2 4.47Å
617	K	33	Very low	29.2	Very low	184 Å²	184	150.7 Å²	150.7	80%	0.8	78%	0.778	S	S	*	*			trans	-134.9	141.6	172.7	-71.6	-175.5	178.2	178.1	0	109.9
618	P	30.4	Very low	29.1	Very low	117 Å²	117	149.9 Å²	149.9	76%	0.76	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-75.8	158.8	-179.7	31.6	-35.5	0	0	0	112.6
619	P	29.4	Very low	29	Very low	131 Å²	131	152.4 Å²	152.4	85%	0.851	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-72.2	160	-175.6	29.9	-36.2	0	0	0	113.7
620	M	28.9	Very low	28.9	Very low	188 Å²	188	152.2 Å²	152.2	93%	0.926	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-93.7	133.8	-178.3	-70.6	-172	64.2	0	0	113.1
621	R	28.9	Very low	28.7	Very low	151 Å²	151	150.2 Å²	150.2	57%	0.57	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-81.4	128.6	175.3	-171.2	-166.2	-99.2	-146	-7.6	110.5	E714	R621-E714 IonicContact CZ-OE2 2.67Å; R621-E714 IonicContact NE-OE2 3.55Å; R621-E714 PolarHBondContact NE-OE2 2.85Å; R621-E714 IonicContact NH2-OE1 2.65Å; R621-E714 PolarHBondContact NH2-OE1 3.11Å; R621-E714 IonicContact NH2-OE2 3.58Å; R621-E714 PolarHBondContact NH2-OE2 3.48Å
622	S	29.7	Very low	28.9	Very low	110 Å²	110	152.6 Å²	152.6	77%	0.769	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-69.5	162.8	177.7	55.6	0	0	0	0	113
623	R	32	Very low	28.8	Very low	226 Å²	226	155.8 Å²	155.8	85%	0.853	80%	0.797	S	S	*	*			trans	-118.8	114	-176.9	-81.6	177.7	162.9	175.7	-5	111.5	T625	R623-T625 PolarHBondContact O-N 2.55Å
624	T	27.4	Very low	28.8	Very low	120 Å²	120	151.7 Å²	151.7	74%	0.736	79%	0.793	S	S	*	*			trans	-91.7	84.9	171.9	39.7	0	0	0	0	111.8	R682	T624-R682 VanDerWaalsContact C-NH2 3.3Å; T624-R682 VanDerWaalsContact O-CZ 3.26Å; T624-R682 PolarHBondContact O-NH1 2.8Å; T624-R682 PolarHBondContact O-NH2 2.86Å
625	T	28.6	Very low	28.7	Very low	91 Å²	91	153.3 Å²	153.3	56%	0.558	79%	0.794	S	S	*	*			trans	-87.5	110.5	172.1	41.8	0	0	0	0	110.7	R623	R623-T625 PolarHBondContact O-N 2.55Å
626	L	29.2	Very low	28.5	Very low	143 Å²	143	153.3 Å²	153.3	75%	0.749	80%	0.8	S	S	*	*			trans	-108.3	104.2	172.9	-161	94.3	0	0	0	108.2	M628	L626-M628 HydrophobicContact CD2-CG 4.07Å; L626-M628 HydrophobicContact CG-CG 4.49Å
627	D	27.2	Very low	28.5	Very low	162 Å²	162	156.8 Å²	156.8	87%	0.866	81%	0.808	S	S	*	*			trans	-95.2	109.9	171.1	-76.6	-42.2	0	0	0	108.9
628	M	28.7	Very low	28.1	Very low	167 Å²	167	156.1 Å²	156.1	82%	0.823	81%	0.807	S	S	*	*			trans	-108.5	104.2	171.3	-81.2	-102.8	-76.4	0	0	109.2	L626	L626-M628 HydrophobicContact CD2-CG 4.07Å; L626-M628 HydrophobicContact CG-CG 4.49Å
629	R	29.3	Very low	28	Very low	246 Å²	246	159.8 Å²	159.8	93%	0.928	81%	0.811	S	S	*	*			trans	-87	116.8	-177.8	-157.4	176.2	-166.1	169.9	3.6	109.6
630	T	26.6	Very low	27.7	Very low	139 Å²	139	161.3 Å²	161.3	85%	0.853	81%	0.807	S	S	*	*			trans	-71.7	137.8	-179.9	42.6	0	0	0	0	112.2
631	S	27.5	Very low	27.5	Very low	118 Å²	118	159.5 Å²	159.5	83%	0.825	80%	0.8	S	S	*	*			trans	-148.3	71.3	173.7	64.6	0	0	0	0	112.2
632	H	27.9	Very low	27.4	Very low	194 Å²	194	160.7 Å²	160.7	90%	0.898	81%	0.811	S	S	*	*			trans	-88.7	120	161	-88.5	-56.2	0	0	0	110.1
633	Q	26.9	Very low	27.2	Very low	197 Å²	197	162.6 Å²	162.6	92%	0.921	81%	0.808	S	S	*	*			trans	-159.8	145.3	150.5	-115.8	174.2	42.1	0	0	112.5
634	A	26	Very low	27	Very low	85 Å²	85	159.5 Å²	159.5	70%	0.702	80%	0.803	S	S	*	*			trans	76.5	102.9	159.8	0	0	0	0	0	121.8
635	K	27.9	Very low	27.8	Very low	194 Å²	194	158 Å²	158	84%	0.843	80%	0.796	S	S	*	*				72.5	97.4	122.7	-64	176.1	-178.8	-179.4	0	121
636	T	26.1	Very low	27.6	Very low	130 Å²	130	162.6 Å²	162.6	80%	0.798	81%	0.813	S	S	*	*				27.7	118.8	113.5	-37.9	0	0	0	0	120.2
637	Q	26.5	Very low	27.7	Very low	199 Å²	199	162.2 Å²	162.2	93%	0.93	81%	0.812	S	S	*	*			trans	-158.5	159.5	131.4	-114.8	175.6	16.2	0	0	111.7
638	E	26.2	Very low	27.9	Very low	170 Å²	170	162.7 Å²	162.7	79%	0.794	81%	0.814	S	S	*	*			trans	-109.5	148.3	-165.8	-55.8	164.6	103.9	0	0	114.2
639	K	26.6	Very low	28.2	Very low	194 Å²	194	163.4 Å²	163.4	84%	0.843	81%	0.808	S	S	*	*			trans	170.4	112.3	135.5	-93.4	157.2	-176.3	179.9	0	108.6
640	Q	23.6	Very low	28.7	Very low	164 Å²	164	159.2 Å²	159.2	77%	0.766	80%	0.802	S	S	*	*				79.8	132.2	70.1	-85.9	-161.8	-3.3	0	0	115.1
641	I	25.6	Very low	29.4	Very low	149 Å²	149	159.9 Å²	159.9	76%	0.764	80%	0.799	S	S	*	*			trans	74.8	131.6	163.8	-61.6	156	0	0	0	113.9
642	H	25.9	Very low	30.3	Very low	177 Å²	177	162 Å²	162	82%	0.819	80%	0.798	S	S	*	*			cis	-137.8	171	10	-152.1	44.1	0	0	0	112.9
643	Q	25.1	Very low	31.4	Very low	149 Å²	149	158 Å²	158	70%	0.696	78%	0.783	S	S	*	*			trans	-100.4	-176.3	164.8	-52.8	179.6	-2.6	0	0	108.2
644	Q	29.2	Very low	32.9	Very low	161 Å²	161	152.8 Å²	152.8	75%	0.752	76%	0.762	S	S	*	*			cis	-152.2	-153.9	7.3	-150.2	-176.2	78.3	0	0	109.4
645	P	43.7	Very low	34.5	Very low	89 Å²	89	155.3 Å²	155.3	58%	0.578	76%	0.758	S	S	*	*				-113.3	179.3	-121.1	43.2	-28.6	0	0	0	116.1
646	M	24.5	Very low	36.1	Very low	188 Å²	188	151 Å²	151	93%	0.926	74%	0.744	S	S	*	*			trans	-135.4	132.2	144.9	-113.2	-61.6	-169.2	0	0	109.4
647	N	31	Very low	38.2	Very low	134 Å²	134	152 Å²	152	72%	0.717	74%	0.738	S	S	*	*			trans	-90.8	142	-176.5	-85.2	-19.1	0	0	0	111.8
648	N	30.8	Very low	40.2	Very low	172 Å²	172	145.7 Å²	145.7	92%	0.92	71%	0.711	S	S	*	*			trans	-160.6	82.6	138.8	-103.8	-15.9	0	0	0	109.3
649	R	35.2	Very low	42	Very low	182 Å²	182	143.3 Å²	143.3	69%	0.687	70%	0.701	S	S	*	*			trans	-87.8	125.3	166.7	-107.1	179.7	160.2	-147.6	-11.5	108.2	D654	R649-D654 IonicContact CZ-OD1 3.27Å; R649-D654 VanDerWaalsContact CZ-OD1 3.28Å; R649-D654 IonicContact CZ-OD2 3.78Å; R649-D654 IonicContact NH1-OD1 3.13Å; R649-D654 PolarHBondContact NH1-OD1 3.04Å; R649-D654 IonicContact NH1-OD2 2.71Å; R649-D654 PolarHBondContact NH1-OD2 3.39Å; R649-D654 IonicContact NH2-OD1 2.59Å; R649-D654 PolarHBondContact NH2-OD1 3.04Å
650	I	39.6	Very low	43.8	Very low	159 Å²	159	138.7 Å²	138.7	82%	0.815	69%	0.685	S	S	*	*			trans	-67.5	131.8	159.6	-64.5	170.6	0	0	0	106.6	M652	I650-M652 PolarHBondContact O-N 2.94Å
651	I	42.2	Very low	46.2	Very low	152 Å²	152	132.9 Å²	132.9	78%	0.779	66%	0.663	S	S	*	*			trans	-81.9	99.2	177.9	-56.9	174.4	0	0	0	108
652	M	46.1	Very low	48.3	Very low	162 Å²	162	133.5 Å²	133.5	80%	0.798	66%	0.655	S	S	*	*			trans	-105.4	145.1	144.5	-67.4	-178.6	68.1	0	0	106.4	I650 D654	I650-M652 PolarHBondContact O-N 2.94Å; M652-D654 PolarHBondContact O-N 2.83Å
653	D	50.4	Low	50.4	Low	111 Å²	111	127.8 Å²	127.8	59%	0.594	64%	0.636	S	S	*	*			trans	-63.6	117.9	-170.1	-66.3	-70.2	0	0	0	112.1	H655 D656 F657	D653-H655 PolarHBondContact O-N 2.72Å; D653-D656 PolarHBondContact O-N 2.9Å; D653-F657 PolarHBondContact O-N 3.01Å
654	D	59.5	Low	52.9	Low	88 Å²	88	126.6 Å²	126.6	47%	0.471	63%	0.63	S	S	.	*	H	α-helix	trans	-54.6	-24.8	179.9	-85.3	-59.9	0	0	0	111.8	R649 M652 D658	R649-D654 IonicContact CZ-OD1 3.27Å; R649-D654 VanDerWaalsContact CZ-OD1 3.28Å; R649-D654 IonicContact CZ-OD2 3.78Å; R649-D654 IonicContact NH1-OD1 3.13Å; R649-D654 PolarHBondContact NH1-OD1 3.04Å; R649-D654 IonicContact NH1-OD2 2.71Å; R649-D654 PolarHBondContact NH1-OD2 3.39Å; R649-D654 IonicContact NH2-OD1 2.59Å; R649-D654 PolarHBondContact NH2-OD1 3.04Å; M652-D654 PolarHBondContact O-N 2.83Å; D654-D658 VanDerWaalsContact O-CB 3.31Å; D654-D658 WeakPolarHBondContact O-CB 3.42Å; D654-D658 PolarHBondContact O-N 2.69Å
655	H	58.6	Low	55.4	Low	137 Å²	137	125.4 Å²	125.4	63%	0.634	62%	0.624	S	S	*	*	H	α-helix	trans	-68.9	-35.6	178.5	-162.9	-46.3	0	0	0	113.2	D653 M659	D653-H655 PolarHBondContact O-N 2.72Å; H655-M659 PolarHBondContact O-N 2.92Å
656	D	61.1	Low	56.8	Low	103 Å²	103	123.9 Å²	123.9	55%	0.551	62%	0.619	S	S	*	*	H	α-helix	trans	-74	-40	176.7	-78.5	-11.3	0	0	0	110.4	D653 D658 M659 L660	D653-D656 PolarHBondContact O-N 2.9Å; D656-D658 VanDerWaalsContact C-N 3.31Å; D656-D658 PolarHBondContact O-N 3.12Å; D656-M659 PolarHBondContact O-N 2.96Å; D656-L660 WeakPolarHBondContact O-CB 3.38Å; D656-L660 WeakPolarHBondContact O-CG 3.36Å; D656-L660 PolarHBondContact O-N 3.24Å
657	F	70.3	Confident	59.4	Low	151 Å²	151	119 Å²	119	66%	0.662	60%	0.6	S	S	*	*	H	α-helix	trans	-61.6	-40	172.9	-172.1	-94.4	0	0	0	111.7	D653 L660 S661	D653-F657 PolarHBondContact O-N 3.01Å; F657-L660 PolarHBondContact O-N 2.9Å; F657-S661 WeakPolarHBondContact O-CB 3.27Å; F657-S661 PolarHBondContact O-N 3.36Å; F657-S661 PolarHBondContact O-OG 2.92Å
658	D	68.7	Low	61.7	Low	67 Å²	67	118.5 Å²	118.5	36%	0.358	60%	0.596	S	S	.	*	H	α-helix	trans	-77.4	-24.3	179.1	-157.4	56.7	0	0	0	113.5	D654 D656 S661 R662	D654-D658 VanDerWaalsContact O-CB 3.31Å; D654-D658 WeakPolarHBondContact O-CB 3.42Å; D654-D658 PolarHBondContact O-N 2.69Å; D656-D658 VanDerWaalsContact C-N 3.31Å; D656-D658 PolarHBondContact O-N 3.12Å; D658-S661 WeakPolarHBondContact CA-OG 3.36Å; D658-S661 PolarHBondContact O-OG 2.85Å; D658-S661 VanDerWaalsContact O-OG 3.06Å; D658-S661 PolarHBondContact OD1-OG 2.76Å; D658-R662 WeakPolarHBondContact O-CD 3.43Å; D658-R662 WeakPolarHBondContact O-CG 3.3Å; D658-R662 PolarHBondContact O-N 2.93Å; D658-R662 PolarHBondContact O-NE 2.65Å; D658-R662 IonicContact OD2-CZ 2.77Å; D658-R662 IonicContact OD2-NE 3.95Å; D658-R662 PolarHBondContact OD2-NE 3.19Å; D658-R662 IonicContact OD2-NH2 2.76Å; D658-R662 PolarHBondContact OD2-NH2 2.96Å
659	M	64.8	Low	64.1	Low	121 Å²	121	116.1 Å²	116.1	60%	0.596	58%	0.58	S	S	*	*	H	α-helix	trans	-70	-44.6	165.5	-94.5	-168	58.4	0	0	112	H655 D656 S663	H655-M659 PolarHBondContact O-N 2.92Å; D656-M659 PolarHBondContact O-N 2.96Å; M659-S663 PolarHBondContact O-N 3.3Å; M659-S663 VanDerWaalsContact O-N 3.13Å
660	L	64.6	Low	66.1	Low	96 Å²	96	112.7 Å²	112.7	50%	0.503	57%	0.571	S	S	.	*	H	α-helix	trans	-63	-46.1	177.5	-75.3	166.4	0	0	0	111.3	D656 F657 R662 S663 H664	D656-L660 WeakPolarHBondContact O-CB 3.38Å; D656-L660 WeakPolarHBondContact O-CG 3.36Å; D656-L660 PolarHBondContact O-N 3.24Å; F657-L660 PolarHBondContact O-N 2.9Å; L660-R662 PolarHBondContact O-N 3.16Å; L660-S663 PolarHBondContact O-N 3.44Å; L660-S663 VanDerWaalsContact O-N 3.16Å; L660-S663 PolarHBondContact O-OG 2.87Å; L660-H664 PolarHBondContact O-CD2 3.34Å; L660-H664 PolarHBondContact O-N 3.06Å
661	S	73.7	Confident	67.9	Low	42 Å²	42	110.2 Å²	110.2	29%	0.294	56%	0.559	S	S	.	*	H	α-helix	trans	-57.4	-49.4	-180	72.4	0	0	0	0	111.7	F657 D658 S663 H664 E665	F657-S661 WeakPolarHBondContact O-CB 3.27Å; F657-S661 PolarHBondContact O-N 3.36Å; F657-S661 PolarHBondContact O-OG 2.92Å; D658-S661 WeakPolarHBondContact CA-OG 3.36Å; D658-S661 PolarHBondContact O-OG 2.85Å; D658-S661 VanDerWaalsContact O-OG 3.06Å; D658-S661 PolarHBondContact OD1-OG 2.76Å; S661-S663 VanDerWaalsContact C-N 3.31Å; S661-S663 PolarHBondContact O-N 2.84Å; S661-H664 PolarHBondContact O-N 3.2Å; S661-E665 WeakPolarHBondContact O-CB 3.36Å; S661-E665 PolarHBondContact O-N 3.49Å
662	R	70.2	Confident	69.8	Low	162 Å²	162	106.1 Å²	106.1	61%	0.611	54%	0.544	S	S	*	.	H	α-helix	trans	-61.4	-37.6	177.1	-67.2	168.7	-168.2	-149.7	7.8	112.1	D658 L660 E665 A666	D658-R662 WeakPolarHBondContact O-CD 3.43Å; D658-R662 WeakPolarHBondContact O-CG 3.3Å; D658-R662 PolarHBondContact O-N 2.93Å; D658-R662 PolarHBondContact O-NE 2.65Å; D658-R662 IonicContact OD2-CZ 2.77Å; D658-R662 IonicContact OD2-NE 3.95Å; D658-R662 PolarHBondContact OD2-NE 3.19Å; D658-R662 IonicContact OD2-NH2 2.76Å; D658-R662 PolarHBondContact OD2-NH2 2.96Å; L660-R662 PolarHBondContact O-N 3.16Å; R662-E665 PolarHBondContact O-N 3.03Å; R662-A666 WeakPolarHBondContact O-CB 3.36Å; R662-A666 PolarHBondContact O-N 2.88Å
663	S	69.6	Low	71.4	Confident	58 Å²	58	102 Å²	102	41%	0.406	53%	0.526	S	S	.	.	H	α-helix	trans	-66.5	-40.6	176	82.1	0	0	0	0	112	M659 L660 S661 V667	M659-S663 PolarHBondContact O-N 3.3Å; M659-S663 VanDerWaalsContact O-N 3.13Å; L660-S663 PolarHBondContact O-N 3.44Å; L660-S663 VanDerWaalsContact O-N 3.16Å; L660-S663 PolarHBondContact O-OG 2.87Å; S661-S663 VanDerWaalsContact C-N 3.31Å; S661-S663 PolarHBondContact O-N 2.84Å; S663-V667 WeakPolarHBondContact O-CG2 3.28Å; S663-V667 PolarHBondContact O-N 3.05Å; S663-V667 VanDerWaalsContact O-N 3.16Å
664	H	77.8	Confident	72.9	Confident	124 Å²	124	99.4 Å²	99.4	57%	0.574	51%	0.507	S	S	*	.	H	α-helix	trans	-71.2	-36.6	176	-71.2	-54.9	0	0	0	112.5	L660 S661 V667 L668	L660-H664 PolarHBondContact O-CD2 3.34Å; L660-H664 PolarHBondContact O-N 3.06Å; S661-H664 PolarHBondContact O-N 3.2Å; H664-V667 PolarHBondContact O-N 3.19Å; H664-L668 VanDerWaalsContact O-CB 3.26Å; H664-L668 WeakPolarHBondContact O-CB 3.47Å; H664-L668 PolarHBondContact O-N 3.06Å
665	E	80.8	Confident	73.9	Confident	135 Å²	135	100.2 Å²	100.2	63%	0.631	51%	0.508	S	S	*	.	H	α-helix	trans	-63.4	-45.5	175.2	-174.4	171.2	-151.5	0	0	111.3	S661 R662 V667 L668 Q669	S661-E665 WeakPolarHBondContact O-CB 3.36Å; S661-E665 PolarHBondContact O-N 3.49Å; R662-E665 PolarHBondContact O-N 3.03Å; E665-V667 PolarHBondContact O-N 3.22Å; E665-L668 PolarHBondContact O-N 2.88Å; E665-Q669 WeakPolarHBondContact O-CB 3.31Å; E665-Q669 PolarHBondContact O-N 2.91Å
666	A	74.4	Confident	75	Confident	57 Å²	57	97 Å²	97	47%	0.471	50%	0.502	S	S	.	.	H	α-helix	trans	-61.1	-42.4	175.3	0	0	0	0	0	112.6	R662 Q669 E670	R662-A666 WeakPolarHBondContact O-CB 3.36Å; R662-A666 PolarHBondContact O-N 2.88Å; A666-Q669 PolarHBondContact O-N 3.34Å; A666-E670 PolarHBondContact O-N 2.98Å
667	V	78.1	Confident	75.9	Confident	86 Å²	86	93.4 Å²	93.4	52%	0.521	48%	0.484	S	S	.	.	H	α-helix	trans	-65.4	-40.9	175.1	169.8	0	0	0	0	111.6	S663 H664 E665 E670 L671	S663-V667 WeakPolarHBondContact O-CG2 3.28Å; S663-V667 PolarHBondContact O-N 3.05Å; S663-V667 VanDerWaalsContact O-N 3.16Å; H664-V667 PolarHBondContact O-N 3.19Å; E665-V667 PolarHBondContact O-N 3.22Å; V667-E670 PolarHBondContact O-N 3.44Å; V667-L671 HydrophobicContact CG1-CD1 4.05Å; V667-L671 VanDerWaalsContact O-CG 3.31Å; V667-L671 WeakPolarHBondContact O-CG 3.38Å; V667-L671 PolarHBondContact O-N 2.79Å
668	L	80.3	Confident	76.4	Confident	124 Å²	124	88.7 Å²	88.7	65%	0.649	47%	0.466	S	S	*	.	H	α-helix	trans	-67.9	-37.1	178.3	-172.9	147.4	0	0	0	111.7	H664 E665 L671 S672	H664-L668 VanDerWaalsContact O-CB 3.26Å; H664-L668 WeakPolarHBondContact O-CB 3.47Å; H664-L668 PolarHBondContact O-N 3.06Å; E665-L668 PolarHBondContact O-N 2.88Å; L668-L671 PolarHBondContact O-N 2.86Å; L668-S672 WeakPolarHBondContact O-CB 3.33Å; L668-S672 PolarHBondContact O-N 2.86Å
669	Q	80.4	Confident	76.9	Confident	122 Å²	122	88 Å²	88	57%	0.57	46%	0.462	S	S	*	.	H	α-helix	trans	-62.6	-45.9	172.8	-171.2	177.1	14.8	0	0	111.1	E665 A666 L671 S672 N673	E665-Q669 WeakPolarHBondContact O-CB 3.31Å; E665-Q669 PolarHBondContact O-N 2.91Å; A666-Q669 PolarHBondContact O-N 3.34Å; Q669-L671 PolarHBondContact O-N 3.35Å; Q669-S672 WeakPolarHBondContact O-CB 3.28Å; Q669-S672 PolarHBondContact O-N 3.06Å; Q669-S672 VanDerWaalsContact O-N 3.15Å; Q669-N673 PolarHBondContact O-N 2.92Å; Q669-N673 PolarHBondContact O-ND2 2.89Å; Q669-N673 PolarHBondContact O-OD1 2.85Å
670	E	77.1	Confident	77.3	Confident	109 Å²	109	87 Å²	87	51%	0.509	46%	0.459	S	S	.	.	H	α-helix	trans	-67.6	-35.6	178.6	-177.2	56.7	-168.2	0	0	112.7	A666 V667 S672 N673 R674	A666-E670 PolarHBondContact O-N 2.98Å; V667-E670 PolarHBondContact O-N 3.44Å; E670-S672 VanDerWaalsContact C-N 3.33Å; E670-S672 PolarHBondContact O-N 2.95Å; E670-N673 PolarHBondContact O-N 2.94Å; E670-N673 PolarHBondContact OE2-ND2 2.74Å; E670-R674 WeakPolarHBondContact O-CB 3.29Å; E670-R674 PolarHBondContact O-N 2.7Å
671	L	77.8	Confident	77.8	Confident	107 Å²	107	82.7 Å²	82.7	56%	0.56	44%	0.436	S	S	*	.	H	α-helix	trans	-64.5	-36.7	170.7	-71.6	171.3	0	0	0	112.2	V667 L668 Q669 R674 Q675	V667-L671 HydrophobicContact CG1-CD1 4.05Å; V667-L671 VanDerWaalsContact O-CG 3.31Å; V667-L671 WeakPolarHBondContact O-CG 3.38Å; V667-L671 PolarHBondContact O-N 2.79Å; L668-L671 PolarHBondContact O-N 2.86Å; Q669-L671 PolarHBondContact O-N 3.35Å; L671-R674 PolarHBondContact O-N 2.67Å; L671-Q675 WeakPolarHBondContact O-CB 3.28Å; L671-Q675 PolarHBondContact O-N 2.92Å
672	S	81.2	Confident	77.9	Confident	67 Å²	67	83.6 Å²	83.6	47%	0.469	43%	0.433	S	S	.	.	H	α-helix	trans	-67.1	-41.8	174.4	-168.4	0	0	0	0	112.3	L668 Q669 E670 Q675 S676	L668-S672 WeakPolarHBondContact O-CB 3.33Å; L668-S672 PolarHBondContact O-N 2.86Å; Q669-S672 WeakPolarHBondContact O-CB 3.28Å; Q669-S672 PolarHBondContact O-N 3.06Å; Q669-S672 VanDerWaalsContact O-N 3.15Å; E670-S672 VanDerWaalsContact C-N 3.33Å; E670-S672 PolarHBondContact O-N 2.95Å; S672-Q675 PolarHBondContact O-N 2.83Å; S672-S676 WeakPolarHBondContact O-CB 3.46Å; S672-S676 PolarHBondContact O-N 2.86Å; S672-S676 PolarHBondContact O-OG 3Å
673	N	79.3	Confident	77.8	Confident	76 Å²	76	81.7 Å²	81.7	41%	0.406	43%	0.431	S	S	.	.	H	α-helix	trans	-60.5	-45	172.8	-64.9	-22.9	0	0	0	111.2	Q669 E670 S676 S677	Q669-N673 PolarHBondContact O-N 2.92Å; Q669-N673 PolarHBondContact O-ND2 2.89Å; Q669-N673 PolarHBondContact O-OD1 2.85Å; E670-N673 PolarHBondContact O-N 2.94Å; E670-N673 PolarHBondContact OE2-ND2 2.74Å; N673-S676 PolarHBondContact O-N 2.58Å; N673-S677 WeakPolarHBondContact O-CB 3.49Å; N673-S677 PolarHBondContact O-N 2.93Å; N673-S677 PolarHBondContact O-OG 3.21Å
674	R	81.9	Confident	77.5	Confident	55 Å²	55	79.9 Å²	79.9	21%	0.208	42%	0.42	C	S	.	.	H	α-helix	trans	-61.1	-48.2	176.4	-172.9	-176.6	-163	76.4	-2.4	111.7	E670 L671 S677 L678 S703 I704 D707	E670-R674 WeakPolarHBondContact O-CB 3.29Å; E670-R674 PolarHBondContact O-N 2.7Å; L671-R674 PolarHBondContact O-N 2.67Å; R674-S677 PolarHBondContact O-N 3.11Å; R674-L678 HydrophobicContact CG-CD1 4.02Å; R674-L678 WeakPolarHBondContact O-CG 3.48Å; R674-L678 PolarHBondContact O-N 2.94Å; R674-S703 PolarHBondContact NH1-OG 2.92Å; R674-S703 PolarHBondContact NH2-O 3.35Å; R674-I704 HydrophobicContact CG-CG1 4.28Å; R674-D707 IonicContact CZ-OD2 2.7Å; R674-D707 IonicContact NE-OD2 2.78Å; R674-D707 PolarHBondContact NE-OD2 2.71Å; R674-D707 IonicContact NH2-OD1 2.94Å; R674-D707 PolarHBondContact NH2-OD1 2.9Å; R674-D707 VanDerWaalsContact NH2-OD1 3.09Å; R674-D707 IonicContact NH2-OD2 3.86Å; R674-D707 PolarHBondContact NH2-OD2 3.08Å
675	Q	81.8	Confident	76.9	Confident	105 Å²	105	76.3 Å²	76.3	49%	0.491	41%	0.407	S	S	.	.	H	α-helix	trans	-59.8	-48.6	178.5	-177.2	60	43.9	0	0	111.2	L671 S672 S677 L678 D679	L671-Q675 WeakPolarHBondContact O-CB 3.28Å; L671-Q675 PolarHBondContact O-N 2.92Å; S672-Q675 PolarHBondContact O-N 2.83Å; Q675-S677 VanDerWaalsContact C-N 3.27Å; Q675-S677 PolarHBondContact O-N 2.94Å; Q675-L678 PolarHBondContact O-N 2.8Å; Q675-L678 VanDerWaalsContact O-N 3.14Å; Q675-D679 PolarHBondContact NE2-OD2 2.96Å; Q675-D679 PolarHBondContact O-N 3.47Å
676	S	81.3	Confident	76.1	Confident	71 Å²	71	77 Å²	77	50%	0.497	40%	0.403	S	S	.	.	H	α-helix	trans	-56.9	-41.7	177.6	-57.5	0	0	0	0	111.9	S672 N673 L680	S672-S676 WeakPolarHBondContact O-CB 3.46Å; S672-S676 PolarHBondContact O-N 2.86Å; S672-S676 PolarHBondContact O-OG 3Å; N673-S676 PolarHBondContact O-N 2.58Å; S676-L680 WeakPolarHBondContact O-CG 3.43Å; S676-L680 PolarHBondContact O-N 2.96Å
677	S	79.6	Confident	75.3	Confident	26 Å²	26	78.4 Å²	78.4	18%	0.182	41%	0.41	C	S	.	.	H	α-helix	trans	-69.3	-37.9	177.5	-57.3	0	0	0	0	112.9	N673 R674 Q675 L680 L681	N673-S677 WeakPolarHBondContact O-CB 3.49Å; N673-S677 PolarHBondContact O-N 2.93Å; N673-S677 PolarHBondContact O-OG 3.21Å; R674-S677 PolarHBondContact O-N 3.11Å; Q675-S677 VanDerWaalsContact C-N 3.27Å; Q675-S677 PolarHBondContact O-N 2.94Å; S677-L680 PolarHBondContact O-N 2.99Å; S677-L681 WeakPolarHBondContact O-CG 3.17Å; S677-L681 PolarHBondContact O-N 3.37Å
678	L	80.5	Confident	74.6	Confident	53 Å²	53	82.5 Å²	82.5	28%	0.277	42%	0.423	S	S	.	.	H	α-helix	trans	-67.2	-38.6	176.2	-75.9	168.9	0	0	0	112.1	R674 Q675 L681 R682 I704	R674-L678 HydrophobicContact CG-CD1 4.02Å; R674-L678 WeakPolarHBondContact O-CG 3.48Å; R674-L678 PolarHBondContact O-N 2.94Å; Q675-L678 PolarHBondContact O-N 2.8Å; Q675-L678 VanDerWaalsContact O-N 3.14Å; L678-L681 PolarHBondContact O-N 3.09Å; L678-R682 WeakPolarHBondContact O-CB 3.19Å; L678-R682 PolarHBondContact O-N 3.37Å; L678-I704 HydrophobicContact CD2-CG2 3.95Å
679	D	78.6	Confident	74.2	Confident	52 Å²	52	80.5 Å²	80.5	28%	0.278	41%	0.413	S	S	.	.	H	α-helix	trans	-70.3	-32.2	175.5	-80.5	-53.5	0	0	0	112.4	Q675 L681 R682 H683	Q675-D679 PolarHBondContact NE2-OD2 2.96Å; Q675-D679 PolarHBondContact O-N 3.47Å; D679-L681 PolarHBondContact O-N 2.7Å; D679-R682 VanDerWaalsContact O-CB 3.24Å; D679-R682 WeakPolarHBondContact O-CB 3.35Å; D679-R682 PolarHBondContact O-N 3.16Å; D679-R682 VanDerWaalsContact O-N 3.16Å; D679-R682 VanDerWaalsContact OD1-CD 3.23Å; D679-R682 WeakPolarHBondContact OD1-CD 3.37Å; D679-R682 IonicContact OD1-NH1 3.18Å; D679-R682 PolarHBondContact OD1-NH1 2.59Å; D679-H683 PolarHBondContact O-CD2 3.43Å; D679-H683 VanDerWaalsContact O-CD2 3.23Å; D679-H683 PolarHBondContact O-N 3.35Å; D679-H683 VanDerWaalsContact O-N 3.08Å
680	L	75	Confident	74.1	Confident	100 Å²	100	76.4 Å²	76.4	52%	0.524	40%	0.396	S	S	.	.	H	α-helix	trans	-58.7	-46	168.6	-71.9	172.6	0	0	0	111.9	S676 S677 R682 H683 A684	S676-L680 WeakPolarHBondContact O-CG 3.43Å; S676-L680 PolarHBondContact O-N 2.96Å; S677-L680 PolarHBondContact O-N 2.99Å; L680-R682 VanDerWaalsContact C-N 3.26Å; L680-R682 PolarHBondContact O-N 2.8Å; L680-H683 PolarHBondContact O-N 2.73Å; L680-H683 VanDerWaalsContact O-N 3.17Å; L680-A684 PolarHBondContact O-N 3.19Å
681	L	75.1	Confident	74.3	Confident	6 Å²	6	72.3 Å²	72.3	3%	0.031	38%	0.378	C	S	.	.	H	α-helix	trans	-67.6	-27	175.9	-64.3	172.1	0	0	0	112.9	S677 L678 D679 H683 A684 T685 Q696 A697 I704	S677-L681 WeakPolarHBondContact O-CG 3.17Å; S677-L681 PolarHBondContact O-N 3.37Å; L678-L681 PolarHBondContact O-N 3.09Å; D679-L681 PolarHBondContact O-N 2.7Å; L681-H683 VanDerWaalsContact C-N 3.33Å; L681-A684 PolarHBondContact O-N 2.8Å; L681-T685 WeakPolarHBondContact O-CG2 3.39Å; L681-T685 PolarHBondContact O-N 3.4Å; L681-T685 PolarHBondContact O-OG1 2.93Å; L681-Q696 HydrophobicContact CD2-CB 3.65Å; L681-Q696 HydrophobicContact CD2-CG 3.66Å; L681-A697 HydrophobicContact CD1-CB 3.67Å; L681-A697 HydrophobicContact CD2-CB 3.97Å; L681-A697 HydrophobicContact CG-CB 4.5Å; L681-I704 HydrophobicContact CD1-CG2 3.3Å
682	R	75.3	Confident	74.4	Confident	60 Å²	60	68.2 Å²	68.2	23%	0.226	36%	0.362	C	S	.	.	H	α-helix	trans	-67.3	-34	172.5	-169	-171.3	-171.8	165.2	9.4	112.3	T624 L678 D679 L680 T685 R686	T624-R682 VanDerWaalsContact C-NH2 3.3Å; T624-R682 VanDerWaalsContact O-CZ 3.26Å; T624-R682 PolarHBondContact O-NH1 2.8Å; T624-R682 PolarHBondContact O-NH2 2.86Å; L678-R682 WeakPolarHBondContact O-CB 3.19Å; L678-R682 PolarHBondContact O-N 3.37Å; D679-R682 VanDerWaalsContact O-CB 3.24Å; D679-R682 WeakPolarHBondContact O-CB 3.35Å; D679-R682 PolarHBondContact O-N 3.16Å; D679-R682 VanDerWaalsContact O-N 3.16Å; D679-R682 VanDerWaalsContact OD1-CD 3.23Å; D679-R682 WeakPolarHBondContact OD1-CD 3.37Å; D679-R682 IonicContact OD1-NH1 3.18Å; D679-R682 PolarHBondContact OD1-NH1 2.59Å; L680-R682 VanDerWaalsContact C-N 3.26Å; L680-R682 PolarHBondContact O-N 2.8Å; R682-T685 WeakPolarHBondContact CA-OG1 3.33Å; R682-T685 PolarHBondContact O-OG1 3.04Å; R682-R686 WeakPolarHBondContact O-CG 3.46Å; R682-R686 PolarHBondContact O-N 2.7Å
683	H	67.4	Low	74.4	Confident	122 Å²	122	65 Å²	65	57%	0.565	34%	0.339	S	S	*	.	H	α-helix	trans	-70	-40.7	171.4	-79.3	-84.2	0	0	0	111.5	D679 L680 L681 R686	D679-H683 PolarHBondContact O-CD2 3.43Å; D679-H683 VanDerWaalsContact O-CD2 3.23Å; D679-H683 PolarHBondContact O-N 3.35Å; D679-H683 VanDerWaalsContact O-N 3.08Å; L680-H683 PolarHBondContact O-N 2.73Å; L680-H683 VanDerWaalsContact O-N 3.17Å; L681-H683 VanDerWaalsContact C-N 3.33Å; H683-R686 PolarHBondContact O-N 3.49Å
684	A	63	Low	74.5	Confident	21 Å²	21	61.4 Å²	61.4	17%	0.174	32%	0.32	C	S	.	.	H	α-helix	trans	-63.5	-48.2	174.8	0	0	0	0	0	112.8	L680 L681 R686 S687 A693 Q696	L680-A684 PolarHBondContact O-N 3.19Å; L681-A684 PolarHBondContact O-N 2.8Å; A684-R686 PolarHBondContact O-N 3.22Å; A684-R686 VanDerWaalsContact O-N 3.08Å; A684-S687 PolarHBondContact O-N 2.82Å; A684-S687 PolarHBondContact O-OG 3.35Å; A684-A693 HydrophobicContact CB-CB 4.43Å; A684-Q696 VanDerWaalsContact CB-OE1 3.26Å
685	T	64.8	Low	74.7	Confident	49 Å²	49	65.4 Å²	65.4	30%	0.301	34%	0.335	S	S	.	.	H	α-helix	trans	-64.4	-15.7	179.5	48.2	0	0	0	0	114.3	L681 R682 S687 H688 A693 L708	L681-T685 WeakPolarHBondContact O-CG2 3.39Å; L681-T685 PolarHBondContact O-N 3.4Å; L681-T685 PolarHBondContact O-OG1 2.93Å; R682-T685 WeakPolarHBondContact CA-OG1 3.33Å; R682-T685 PolarHBondContact O-OG1 3.04Å; T685-S687 VanDerWaalsContact C-N 3.31Å; T685-S687 PolarHBondContact O-N 3.14Å; T685-H688 PolarHBondContact O-N 3.28Å; T685-A693 HydrophobicContact CG2-CB 3.49Å; T685-A693 VanDerWaalsContact CG2-CB 3.49Å; T685-L708 HydrophobicContact CG2-CD1 4.48Å
686	R	64.1	Low	74.7	Confident	148 Å²	148	63.6 Å²	63.6	56%	0.558	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-19.5	171.3	-77.3	173.1	-177.8	-173	4.2	113.6	R682 H683 A684 H688	R682-R686 WeakPolarHBondContact O-CG 3.46Å; R682-R686 PolarHBondContact O-N 2.7Å; H683-R686 PolarHBondContact O-N 3.49Å; A684-R686 PolarHBondContact O-N 3.22Å; A684-R686 VanDerWaalsContact O-N 3.08Å; R686-H688 VanDerWaalsContact C-N 3.28Å; R686-H688 PolarHBondContact O-N 3.15Å
687	S	59	Low	74.8	Confident	88 Å²	88	60.2 Å²	60.2	62%	0.615	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	2.8	176.3	72.1	0	0	0	0	114.3	A684 T685 D689	A684-S687 PolarHBondContact O-N 2.82Å; A684-S687 PolarHBondContact O-OG 3.35Å; T685-S687 VanDerWaalsContact C-N 3.31Å; T685-S687 PolarHBondContact O-N 3.14Å; S687-D689 PolarHBondContact O-N 2.88Å
688	H	62.9	Low	74.9	Confident	172 Å²	172	64.4 Å²	64.4	80%	0.796	32%	0.315	S	S	*	.	S	Bend	trans	66.2	-2	-173.7	-65.8	-7.3	0	0	0	116.4	T685 R686 V690	T685-H688 PolarHBondContact O-N 3.28Å; R686-H688 VanDerWaalsContact C-N 3.28Å; R686-H688 PolarHBondContact O-N 3.15Å; H688-V690 PolarHBondContact O-N 2.96Å
689	D	73	Confident	75	Confident	81 Å²	81	66.5 Å²	66.5	43%	0.433	33%	0.334	S	S	.	.			trans	-79	88.3	167.8	-175.7	11	0	0	0	111.7	S687 L691 G692 A693	S687-D689 PolarHBondContact O-N 2.88Å; D689-L691 VanDerWaalsContact C-N 3.28Å; D689-L691 PolarHBondContact O-N 3.26Å; D689-L691 PolarHBondContact OD1-N 2.56Å; D689-G692 PolarHBondContact OD1-N 2.72Å; D689-G692 VanDerWaalsContact OD2-CA 3.25Å; D689-G692 WeakPolarHBondContact OD2-CA 3.48Å; D689-G692 PolarHBondContact OD2-N 3.12Å; D689-A693 PolarHBondContact O-N 3.28Å; D689-A693 VanDerWaalsContact O-N 3.13Å
690	V	77.1	Confident	75	Confident	37 Å²	37	66 Å²	66	22%	0.224	33%	0.334	C	S	.	.	H	α-helix	trans	-74.1	-19.1	177.3	-175.1	0	0	0	0	111.8	H688 L694 I712 F723	H688-V690 PolarHBondContact O-N 2.96Å; V690-L694 PolarHBondContact O-N 2.82Å; V690-L694 VanDerWaalsContact O-N 3.14Å; V690-I712 HydrophobicContact CG1-CD1 3.64Å; V690-I712 HydrophobicContact CG1-CG1 4.09Å; V690-F723 HydrophobicContact CB-CE1 4.29Å; V690-F723 HydrophobicContact CB-CZ 3.81Å; V690-F723 HydrophobicContact CG1-CE1 3.87Å; V690-F723 HydrophobicContact CG1-CZ 3.93Å
691	L	81.6	Confident	75.2	Confident	23 Å²	23	62.4 Å²	62.4	12%	0.12	32%	0.321	C	S	.	.	H	α-helix	trans	-80.2	-42.2	175.9	-173.2	59.3	0	0	0	111.1	D689 A693 L694 R695 D722 F723 F726	D689-L691 VanDerWaalsContact C-N 3.28Å; D689-L691 PolarHBondContact O-N 3.26Å; D689-L691 PolarHBondContact OD1-N 2.56Å; L691-A693 VanDerWaalsContact C-N 3.29Å; L691-A693 PolarHBondContact O-N 2.87Å; L691-L694 PolarHBondContact O-N 2.95Å; L691-R695 WeakPolarHBondContact O-CG 3.26Å; L691-R695 PolarHBondContact O-N 2.89Å; L691-D722 HydrophobicContact CD2-CB 4.16Å; L691-F723 HydrophobicContact CB-CD2 4.33Å; L691-F723 HydrophobicContact CB-CE2 3.63Å; L691-F723 HydrophobicContact CB-CZ 3.91Å; L691-F723 HydrophobicContact CD1-CD2 4.02Å; L691-F723 HydrophobicContact CD1-CE2 4.15Å; L691-F723 HydrophobicContact CD1-CG 4.33Å; L691-F723 HydrophobicContact CG-CE2 4.33Å; L691-F726 HydrophobicContact CD1-CB 4.02Å; L691-F726 HydrophobicContact CD1-CD1 4.21Å; L691-F726 HydrophobicContact CD1-CG 4.16Å
692	G	79.6	Confident	75.5	Confident	21 Å²	21	67.4 Å²	67.4	22%	0.216	34%	0.342	C	S	.	.	H	α-helix	trans	-57.5	-41.9	168.6	0	0	0	0	0	111.8	D689 L694 R695 Q696	D689-G692 PolarHBondContact OD1-N 2.72Å; D689-G692 VanDerWaalsContact OD2-CA 3.25Å; D689-G692 WeakPolarHBondContact OD2-CA 3.48Å; D689-G692 PolarHBondContact OD2-N 3.12Å; G692-L694 PolarHBondContact O-N 2.85Å; G692-R695 PolarHBondContact O-N 2.95Å; G692-Q696 WeakPolarHBondContact O-CB 3.4Å; G692-Q696 PolarHBondContact O-N 2.79Å
693	A	80.4	Confident	75.7	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-61.1	-42.4	173.1	0	0	0	0	0	113.1	A684 T685 D689 L691 Q696 A697 L708	A684-A693 HydrophobicContact CB-CB 4.43Å; T685-A693 HydrophobicContact CG2-CB 3.49Å; T685-A693 VanDerWaalsContact CG2-CB 3.49Å; D689-A693 PolarHBondContact O-N 3.28Å; D689-A693 VanDerWaalsContact O-N 3.13Å; L691-A693 VanDerWaalsContact C-N 3.29Å; L691-A693 PolarHBondContact O-N 2.87Å; A693-Q696 PolarHBondContact O-N 2.99Å; A693-A697 WeakPolarHBondContact O-CB 3.42Å; A693-A697 PolarHBondContact O-N 2.93Å; A693-L708 HydrophobicContact CB-CD2 4.12Å; A693-L708 WeakPolarHBondContact O-CD2 3.43Å
694	L	83.3	Confident	76.5	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-64.4	-40.3	174.2	-82.2	172.1	0	0	0	112.6	V690 L691 G692 A697 R698 F705 L708 I712 F723 F726 V727	V690-L694 PolarHBondContact O-N 2.82Å; V690-L694 VanDerWaalsContact O-N 3.14Å; L691-L694 PolarHBondContact O-N 2.95Å; G692-L694 PolarHBondContact O-N 2.85Å; L694-A697 PolarHBondContact O-N 2.9Å; L694-R698 PolarHBondContact O-N 3.03Å; L694-F705 HydrophobicContact CD2-CD2 4.04Å; L694-F705 HydrophobicContact CD2-CE2 3.68Å; L694-F705 HydrophobicContact CD2-CZ 4.43Å; L694-L708 HydrophobicContact CD2-CD2 4Å; L694-L708 HydrophobicContact CD2-CG 4.04Å; L694-L708 HydrophobicContact CG-CD2 4.26Å; L694-I712 HydrophobicContact CD1-CD1 3.88Å; L694-I712 HydrophobicContact CD2-CD1 3.87Å; L694-I712 HydrophobicContact CG-CD1 3.81Å; L694-F723 HydrophobicContact CD1-CD1 3.61Å; L694-F723 HydrophobicContact CD1-CE1 3.54Å; L694-F726 HydrophobicContact CB-CD1 4.25Å; L694-F726 HydrophobicContact CB-CE1 3.95Å; L694-V727 HydrophobicContact CD1-CG2 4.16Å
695	R	84.4	Confident	77.6	Confident	138 Å²	138	60.5 Å²	60.5	52%	0.521	31%	0.314	S	S	.	.	H	α-helix	trans	-62.3	-44.1	175.1	-71.7	169.5	178.4	-176.6	0.3	111.7	L691 G692 R698 S699 F726	L691-R695 WeakPolarHBondContact O-CG 3.26Å; L691-R695 PolarHBondContact O-N 2.89Å; G692-R695 PolarHBondContact O-N 2.95Å; R695-R698 PolarHBondContact O-N 2.84Å; R695-S699 PolarHBondContact O-N 2.71Å; R695-F726 HydrophobicContact CB-CZ 4.31Å; R695-F726 HydrophobicContact CG-CD2 4.32Å; R695-F726 HydrophobicContact CG-CE1 4.22Å; R695-F726 HydrophobicContact CG-CE2 3.72Å; R695-F726 HydrophobicContact CG-CZ 3.66Å
696	Q	81.9	Confident	78.7	Confident	68 Å²	68	58.2 Å²	58.2	32%	0.318	30%	0.3	S	S	.	.	H	α-helix	trans	-65.9	-41.3	175.1	-169.8	178.7	3.1	0	0	111.2	L681 A684 G692 A693 R698 S699 C700	L681-Q696 HydrophobicContact CD2-CB 3.65Å; L681-Q696 HydrophobicContact CD2-CG 3.66Å; A684-Q696 VanDerWaalsContact CB-OE1 3.26Å; G692-Q696 WeakPolarHBondContact O-CB 3.4Å; G692-Q696 PolarHBondContact O-N 2.79Å; A693-Q696 PolarHBondContact O-N 2.99Å; Q696-R698 VanDerWaalsContact C-N 3.3Å; Q696-R698 PolarHBondContact O-N 3.09Å; Q696-S699 CarbonylContact O-C 3.6Å; Q696-S699 WeakPolarHBondContact O-CA 3.2Å; Q696-S699 PolarHBondContact O-N 2.94Å; Q696-S699 PolarHBondContact O-OG 3.39Å; Q696-C700 PolarHBondContact O-N 2.53Å; Q696-C700 PolarHBondContact O-SG 3.38Å
697	A	83.4	Confident	79.6	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62	-37.5	178.5	0	0	0	0	0	112.4	L681 A693 L694 S699 C700 G701 F705 L708	L681-A697 HydrophobicContact CD1-CB 3.67Å; L681-A697 HydrophobicContact CD2-CB 3.97Å; L681-A697 HydrophobicContact CG-CB 4.5Å; A693-A697 WeakPolarHBondContact O-CB 3.42Å; A693-A697 PolarHBondContact O-N 2.93Å; L694-A697 PolarHBondContact O-N 2.9Å; A697-S699 VanDerWaalsContact C-N 3.27Å; A697-S699 PolarHBondContact O-N 2.95Å; A697-C700 PolarHBondContact O-N 3.24Å; A697-C700 VanDerWaalsContact O-N 3.17Å; A697-G701 PolarHBondContact O-N 2.9Å; A697-F705 HydrophobicContact CB-CB 4.36Å; A697-F705 HydrophobicContact CB-CD2 4.47Å; A697-L708 HydrophobicContact CB-CB 4.44Å; A697-L708 HydrophobicContact CB-CD2 3.69Å
698	R	83.1	Confident	80.9	Confident	113 Å²	113	51 Å²	51	43%	0.426	27%	0.266	S	S	.	.	H	α-helix	trans	-58.3	-38.6	171.4	-172.2	179.1	-179	-179.5	3.1	112.1	L694 R695 Q696 F705 F726 E730	L694-R698 PolarHBondContact O-N 3.03Å; R695-R698 PolarHBondContact O-N 2.84Å; Q696-R698 VanDerWaalsContact C-N 3.3Å; Q696-R698 PolarHBondContact O-N 3.09Å; R698-F705 HydrophobicContact CB-CD2 4.34Å; R698-F726 HydrophobicContact CB-CZ 4.47Å; R698-E730 IonicContact CZ-OE1 3.07Å; R698-E730 IonicContact CZ-OE2 2.72Å; R698-E730 IonicContact NE-OE1 3.25Å; R698-E730 PolarHBondContact NE-OE1 2.84Å; R698-E730 VanDerWaalsContact NE-OE1 3.07Å; R698-E730 IonicContact NE-OE2 3.2Å; R698-E730 PolarHBondContact NE-OE2 2.72Å; R698-E730 IonicContact NH1-OE1 2.92Å; R698-E730 PolarHBondContact NH1-OE1 2.7Å; R698-E730 VanDerWaalsContact NH1-OE1 3.08Å; R698-E730 IonicContact NH2-OE1 2.75Å; R698-E730 PolarHBondContact NH2-OE1 2.78Å
699	S	81.8	Confident	82	Confident	97 Å²	97	42.8 Å²	42.8	68%	0.678	23%	0.228	S	C	*	.	H	α-helix	trans	-75.4	-26.3	175.6	70	0	0	0	0	114.4	R695 Q696 A697	R695-S699 PolarHBondContact O-N 2.71Å; Q696-S699 CarbonylContact O-C 3.6Å; Q696-S699 WeakPolarHBondContact O-CA 3.2Å; Q696-S699 PolarHBondContact O-N 2.94Å; Q696-S699 PolarHBondContact O-OG 3.39Å; A697-S699 VanDerWaalsContact C-N 3.27Å; A697-S699 PolarHBondContact O-N 2.95Å
700	C	78.3	Confident	82.5	Confident	42 Å²	42	39.5 Å²	39.5	28%	0.284	21%	0.213	S	C	.	.	H	α-helix	trans	-79.1	-27.7	176.2	-61.8	0	0	0	0	113.1	Q696 A697 I704	Q696-C700 PolarHBondContact O-N 2.53Å; Q696-C700 PolarHBondContact O-SG 3.38Å; A697-C700 PolarHBondContact O-N 3.24Å; A697-C700 VanDerWaalsContact O-N 3.17Å; C700-I704 HydrophobicContact CB-CD1 4.08Å
701	G	80	Confident	82.8	Confident	24 Å²	24	38.8 Å²	38.8	25%	0.247	21%	0.211	C	C	.	.			trans	143.4	150	171.2	0	0	0	0	0	114.1	A697 S703 I704 F705	A697-G701 PolarHBondContact O-N 2.9Å; G701-S703 VanDerWaalsContact C-N 3.29Å; G701-S703 PolarHBondContact O-N 3.01Å; G701-I704 PolarHBondContact O-N 3.46Å; G701-F705 PolarHBondContact O-N 2.9Å
702	K	81.3	Confident	82.8	Confident	111 Å²	111	38.1 Å²	38.1	48%	0.483	21%	0.208	S	C	.	.	H	α-helix	trans	-54.9	-40.5	-175.2	-69.4	-171.9	171.5	-173.7	0	113.4	I704 F705 I706 E733	K702-I704 VanDerWaalsContact C-N 3.28Å; K702-I704 PolarHBondContact O-N 2.78Å; K702-F705 PolarHBondContact O-N 3.11Å; K702-I706 WeakPolarHBondContact O-CD1 3.4Å; K702-I706 WeakPolarHBondContact O-CG1 3.19Å; K702-I706 PolarHBondContact O-N 3.04Å; K702-E733 WeakPolarHBondContact CE-OE2 3.39Å; K702-E733 IonicContact NZ-OE2 3.08Å; K702-E733 PolarHBondContact NZ-OE2 2.97Å
703	S	79.9	Confident	83	Confident	45 Å²	45	38.3 Å²	38.3	32%	0.315	20%	0.203	S	C	.	.	H	α-helix	trans	-68.1	-25.4	179.7	65.6	0	0	0	0	113.2	R674 G701	R674-S703 PolarHBondContact NH1-OG 2.92Å; R674-S703 PolarHBondContact NH2-O 3.35Å; G701-S703 VanDerWaalsContact C-N 3.29Å; G701-S703 PolarHBondContact O-N 3.01Å
704	I	83.4	Confident	83	Confident	9 Å²	9	43.9 Å²	43.9	5%	0.046	23%	0.229	C	C	.	.	H	α-helix	trans	-84.7	-37.8	176.4	-65.2	155.7	0	0	0	110.6	R674 L678 L681 C700 G701 K702 I706 D707 L708	R674-I704 HydrophobicContact CG-CG1 4.28Å; L678-I704 HydrophobicContact CD2-CG2 3.95Å; L681-I704 HydrophobicContact CD1-CG2 3.3Å; C700-I704 HydrophobicContact CB-CD1 4.08Å; G701-I704 PolarHBondContact O-N 3.46Å; K702-I704 VanDerWaalsContact C-N 3.28Å; K702-I704 PolarHBondContact O-N 2.78Å; I704-I706 VanDerWaalsContact C-N 3.26Å; I704-I706 PolarHBondContact O-N 3.37Å; I704-D707 PolarHBondContact O-N 2.9Å; I704-L708 PolarHBondContact O-N 2.78Å
705	F	86.8	Confident	82.8	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.018	25%	0.253	C	S	.	.	H	α-helix	trans	-55.8	-41.3	169.8	174.8	-94.4	0	0	0	111.9	L694 A697 R698 G701 K702 L708 L709 F726 E730 L734	L694-F705 HydrophobicContact CD2-CD2 4.04Å; L694-F705 HydrophobicContact CD2-CE2 3.68Å; L694-F705 HydrophobicContact CD2-CZ 4.43Å; A697-F705 HydrophobicContact CB-CB 4.36Å; A697-F705 HydrophobicContact CB-CD2 4.47Å; R698-F705 HydrophobicContact CB-CD2 4.34Å; G701-F705 PolarHBondContact O-N 2.9Å; K702-F705 PolarHBondContact O-N 3.11Å; F705-L708 PolarHBondContact O-N 3Å; F705-L709 HydrophobicContact CE1-CD2 4.06Å; F705-L709 VanDerWaalsContact O-CB 3.28Å; F705-L709 WeakPolarHBondContact O-CB 3.31Å; F705-L709 PolarHBondContact O-N 3.35Å; F705-F726 HydrophobicContact CE2-CE1 4.14Å; F705-E730 HydrophobicContact CE1-CB 3.65Å; F705-E730 HydrophobicContact CE1-CG 3.95Å; F705-E730 HydrophobicContact CE2-CG 4.23Å; F705-E730 HydrophobicContact CZ-CB 3.71Å; F705-E730 HydrophobicContact CZ-CG 3.61Å; F705-L734 HydrophobicContact CE1-CD1 4.26Å
706	I	87.6	Confident	82.1	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-66.9	-36.3	178.3	-65.8	163.8	0	0	0	112.2	K702 I704 G710 L734 F741 H742 R745	K702-I706 WeakPolarHBondContact O-CD1 3.4Å; K702-I706 WeakPolarHBondContact O-CG1 3.19Å; K702-I706 PolarHBondContact O-N 3.04Å; I704-I706 VanDerWaalsContact C-N 3.26Å; I704-I706 PolarHBondContact O-N 3.37Å; I706-G710 WeakPolarHBondContact O-CA 3.32Å; I706-G710 PolarHBondContact O-N 3.34Å; I706-L734 HydrophobicContact CD1-CD2 3.53Å; I706-L734 HydrophobicContact CG1-CD1 4.16Å; I706-L734 HydrophobicContact CG1-CD2 3.93Å; I706-F741 HydrophobicContact CG2-CD1 4.18Å; I706-F741 HydrophobicContact CG2-CE1 3.71Å; I706-H742 HydrophobicContact CD1-CB 4.1Å; I706-H742 WeakPolarHBondContact CD1-CD2 3.47Å; I706-H742 VanDerWaalsContact CD1-CG 3.45Å; I706-R745 HydrophobicContact CG2-CB 4.14Å; I706-R745 HydrophobicContact CG2-CG 4.12Å
707	D	83.3	Confident	81.7	Confident	59 Å²	59	48.5 Å²	48.5	32%	0.316	28%	0.275	S	S	.	.	H	α-helix	trans	-67.8	-38.7	174.4	-76.1	12.9	0	0	0	111.9	R674 I704 G710 A711	R674-D707 IonicContact CZ-OD2 2.7Å; R674-D707 IonicContact NE-OD2 2.78Å; R674-D707 PolarHBondContact NE-OD2 2.71Å; R674-D707 IonicContact NH2-OD1 2.94Å; R674-D707 PolarHBondContact NH2-OD1 2.9Å; R674-D707 VanDerWaalsContact NH2-OD1 3.09Å; R674-D707 IonicContact NH2-OD2 3.86Å; R674-D707 PolarHBondContact NH2-OD2 3.08Å; I704-D707 PolarHBondContact O-N 2.9Å; D707-G710 CarbonylContact O-C 3.57Å; D707-G710 WeakPolarHBondContact O-CA 3.32Å; D707-G710 PolarHBondContact O-N 3.24Å; D707-A711 PolarHBondContact O-N 3.03Å
708	L	85.1	Confident	81.4	Confident	24 Å²	24	50.5 Å²	50.5	13%	0.126	29%	0.288	C	S	.	.	H	α-helix	trans	-70.9	-44.7	177.5	-178.1	57.9	0	0	0	111.6	T685 A693 L694 A697 I704 F705 G710 A711 I712	T685-L708 HydrophobicContact CG2-CD1 4.48Å; A693-L708 HydrophobicContact CB-CD2 4.12Å; A693-L708 WeakPolarHBondContact O-CD2 3.43Å; L694-L708 HydrophobicContact CD2-CD2 4Å; L694-L708 HydrophobicContact CD2-CG 4.04Å; L694-L708 HydrophobicContact CG-CD2 4.26Å; A697-L708 HydrophobicContact CB-CB 4.44Å; A697-L708 HydrophobicContact CB-CD2 3.69Å; I704-L708 PolarHBondContact O-N 2.78Å; F705-L708 PolarHBondContact O-N 3Å; L708-G710 PolarHBondContact O-N 3.06Å; L708-A711 PolarHBondContact O-N 3.49Å; L708-A711 VanDerWaalsContact O-N 3.12Å; L708-I712 HydrophobicContact CD1-CD1 4.17Å; L708-I712 HydrophobicContact CG-CD1 3.98Å; L708-I712 VanDerWaalsContact O-CG1 3.32Å; L708-I712 WeakPolarHBondContact O-CG1 3.36Å; L708-I712 PolarHBondContact O-N 2.74Å; L708-I712 VanDerWaalsContact O-N 3.08Å
709	L	86.1	Confident	81.3	Confident	1 Å²	1	46 Å²	46	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-56.7	-37.9	168.2	-171.4	63.6	0	0	0	110.3	F705 I712 L713 W719 V727 T749	F705-L709 HydrophobicContact CE1-CD2 4.06Å; F705-L709 VanDerWaalsContact O-CB 3.28Å; F705-L709 WeakPolarHBondContact O-CB 3.31Å; F705-L709 PolarHBondContact O-N 3.35Å; L709-I712 PolarHBondContact O-N 2.99Å; L709-I712 VanDerWaalsContact O-N 3.14Å; L709-L713 PolarHBondContact O-N 2.91Å; L709-L713 VanDerWaalsContact O-N 3.12Å; L709-W719 HydrophobicContact CD1-CH2 4.09Å; L709-W719 HydrophobicContact CD1-CZ2 4.28Å; L709-V727 HydrophobicContact CD1-CG1 3.92Å; L709-V727 HydrophobicContact CD2-CG1 4.49Å; L709-T749 HydrophobicContact CD1-CG2 3.85Å; L709-T749 HydrophobicContact CD2-CG2 4.15Å; L709-T749 WeakPolarHBondContact CD2-OG1 3.26Å; L709-T749 HydrophobicContact CG-CG2 4.28Å
710	G	85.1	Confident	81.5	Confident	11 Å²	11	44.5 Å²	44.5	11%	0.113	26%	0.256	C	S	.	.	H	α-helix	trans	-40.6	-65.9	164.6	0	0	0	0	0	113.1	I706 D707 L708 I712 L713 R745	I706-G710 WeakPolarHBondContact O-CA 3.32Å; I706-G710 PolarHBondContact O-N 3.34Å; D707-G710 CarbonylContact O-C 3.57Å; D707-G710 WeakPolarHBondContact O-CA 3.32Å; D707-G710 PolarHBondContact O-N 3.24Å; L708-G710 PolarHBondContact O-N 3.06Å; G710-I712 PolarHBondContact O-N 3.08Å; G710-L713 PolarHBondContact O-N 3.36Å; G710-R745 PolarHBondContact O-NH2 3.4Å
711	A	82.6	Confident	81.7	Confident	23 Å²	23	43.8 Å²	43.8	19%	0.19	25%	0.249	C	C	.	.	H	α-helix	trans	-67	-17.7	-179.6	0	0	0	0	0	115	D707 L708	D707-A711 PolarHBondContact O-N 3.03Å; L708-A711 PolarHBondContact O-N 3.49Å; L708-A711 VanDerWaalsContact O-N 3.12Å
712	I	82.3	Confident	81.9	Confident	9 Å²	9	45 Å²	45	5%	0.046	25%	0.25	C	C	.	.	H	α-helix	trans	-87.7	-26.3	-179	-69.6	166.2	0	0	0	112.2	V690 L694 L708 L709 G710 E714 K715 W719	V690-I712 HydrophobicContact CG1-CD1 3.64Å; V690-I712 HydrophobicContact CG1-CG1 4.09Å; L694-I712 HydrophobicContact CD1-CD1 3.88Å; L694-I712 HydrophobicContact CD2-CD1 3.87Å; L694-I712 HydrophobicContact CG-CD1 3.81Å; L708-I712 HydrophobicContact CD1-CD1 4.17Å; L708-I712 HydrophobicContact CG-CD1 3.98Å; L708-I712 VanDerWaalsContact O-CG1 3.32Å; L708-I712 WeakPolarHBondContact O-CG1 3.36Å; L708-I712 PolarHBondContact O-N 2.74Å; L708-I712 VanDerWaalsContact O-N 3.08Å; L709-I712 PolarHBondContact O-N 2.99Å; L709-I712 VanDerWaalsContact O-N 3.14Å; G710-I712 PolarHBondContact O-N 3.08Å; I712-E714 PolarHBondContact O-N 3.14Å; I712-K715 CarbonylContact O-C 3.59Å; I712-K715 PolarHBondContact O-N 3.04Å; I712-K715 VanDerWaalsContact O-N 3.08Å; I712-W719 HydrophobicContact CG2-CZ2 3.78Å; I712-W719 PolarHBondContact O-NE1 2.9Å; I712-W719 VanDerWaalsContact O-NE1 3.16Å
713	L	83.1	Confident	82.1	Confident	24 Å²	24	40.2 Å²	40.2	13%	0.126	23%	0.229	C	C	.	.	H	α-helix	trans	-65.6	-26.2	170.3	-60.6	-173.9	0	0	0	112.7	L709 G710 K715 W719 D748 T749 I752	L709-L713 PolarHBondContact O-N 2.91Å; L709-L713 VanDerWaalsContact O-N 3.12Å; G710-L713 PolarHBondContact O-N 3.36Å; L713-K715 PolarHBondContact O-N 3.48Å; L713-W719 HydrophobicContact CD2-CH2 4.38Å; L713-W719 HydrophobicContact CD2-CZ2 3.63Å; L713-D748 HydrophobicContact CD1-CB 3.92Å; L713-T749 HydrophobicContact CD2-CG2 4.09Å; L713-I752 HydrophobicContact CB-CD1 4.24Å; L713-I752 HydrophobicContact CD2-CD1 3.86Å; L713-I752 HydrophobicContact CD2-CG1 4.48Å
714	E	80	Confident	82.4	Confident	117 Å²	117	38 Å²	38	55%	0.547	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-10.8	172.4	-67	172.8	-151.2	0	0	113.4	R621 I712	R621-E714 IonicContact CZ-OE2 2.67Å; R621-E714 IonicContact NE-OE2 3.55Å; R621-E714 PolarHBondContact NE-OE2 2.85Å; R621-E714 IonicContact NH2-OE1 2.65Å; R621-E714 PolarHBondContact NH2-OE1 3.11Å; R621-E714 IonicContact NH2-OE2 3.58Å; R621-E714 PolarHBondContact NH2-OE2 3.48Å; I712-E714 PolarHBondContact O-N 3.14Å
715	K	78.8	Confident	82.6	Confident	113 Å²	113	40.5 Å²	40.5	49%	0.491	23%	0.226	S	C	.	.			trans	-131.4	74.1	-173.5	-66	-171.1	177.6	-175.7	0	111.8	I712 L713 S717 S718	I712-K715 CarbonylContact O-C 3.59Å; I712-K715 PolarHBondContact O-N 3.04Å; I712-K715 VanDerWaalsContact O-N 3.08Å; L713-K715 PolarHBondContact O-N 3.48Å; K715-S717 PolarHBondContact O-N 2.87Å; K715-S717 VanDerWaalsContact O-N 3.07Å; K715-S718 WeakPolarHBondContact O-CB 3.46Å; K715-S718 PolarHBondContact O-N 2.91Å
716	P	70.7	Confident	82.7	Confident	75 Å²	75	42 Å²	42	49%	0.487	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-55.9	-27.9	179.1	21.2	-33.1	0	0	0	113.7	S718 W719	P716-S718 PolarHBondContact O-N 2.84Å; P716-W719 WeakPolarHBondContact O-CB 3.47Å; P716-W719 PolarHBondContact O-N 2.86Å
717	S	74.2	Confident	82.8	Confident	116 Å²	116	41.9 Å²	41.9	81%	0.811	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-69.7	-8.5	174.8	56.8	0	0	0	0	115.3	K715	K715-S717 PolarHBondContact O-N 2.87Å; K715-S717 VanDerWaalsContact O-N 3.07Å
718	S	75.6	Confident	83.1	Confident	41 Å²	41	39 Å²	39	29%	0.287	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-91.7	-1.8	175	-55.1	0	0	0	0	113.2	K715 P716	K715-S718 WeakPolarHBondContact O-CB 3.46Å; K715-S718 PolarHBondContact O-N 2.91Å; P716-S718 PolarHBondContact O-N 2.84Å
719	W	81.9	Confident	83.3	Confident	18 Å²	18	39 Å²	39	7%	0.068	22%	0.218	C	C	.	.			trans	-86.7	137.7	-179.4	-72.1	73.7	0	0	0	111.8	L709 I712 L713 P716 V727 T749 I753 F757	L709-W719 HydrophobicContact CD1-CH2 4.09Å; L709-W719 HydrophobicContact CD1-CZ2 4.28Å; I712-W719 HydrophobicContact CG2-CZ2 3.78Å; I712-W719 PolarHBondContact O-NE1 2.9Å; I712-W719 VanDerWaalsContact O-NE1 3.16Å; L713-W719 HydrophobicContact CD2-CH2 4.38Å; L713-W719 HydrophobicContact CD2-CZ2 3.63Å; P716-W719 WeakPolarHBondContact O-CB 3.47Å; P716-W719 PolarHBondContact O-N 2.86Å; W719-V727 HydrophobicContact CH2-CG1 4.37Å; W719-T749 HydrophobicContact CH2-CG2 3.55Å; W719-T749 HydrophobicContact CZ2-CG2 4.23Å; W719-T749 HydrophobicContact CZ3-CG2 4.39Å; W719-I753 HydrophobicContact CE3-CG1 4.24Å; W719-I753 HydrophobicContact CZ3-CD1 3.97Å; W719-I753 HydrophobicContact CZ3-CG1 3.74Å; W719-F757 HydrophobicContact CB-CE2 3.74Å; W719-F757 HydrophobicContact CB-CZ 3.73Å
720	N	85.8	Confident	83.4	Confident	67 Å²	67	39.3 Å²	39.3	36%	0.358	22%	0.22	S	C	.	.			trans	-146.9	176.5	171.7	71.4	46.3	0	0	0	110.6	D722 F723 C724	N720-D722 VanDerWaalsContact C-N 3.33Å; N720-D722 PolarHBondContact O-N 2.82Å; N720-D722 WeakPolarHBondContact OD1-CA 3.31Å; N720-D722 WeakPolarHBondContact OD1-CB 3.48Å; N720-D722 PolarHBondContact OD1-N 3.42Å; N720-F723 WeakPolarHBondContact ND2-CD2 3.33Å; N720-F723 WeakPolarHBondContact O-CB 3.41Å; N720-F723 PolarHBondContact O-N 3.09Å; N720-F723 VanDerWaalsContact O-N 3.13Å; N720-F723 WeakPolarHBondContact OD1-CD2 3.07Å; N720-F723 PolarHBondContact OD1-N 2.67Å; N720-F723 VanDerWaalsContact OD1-N 3.1Å; N720-C724 PolarHBondContact O-N 2.87Å; N720-C724 VanDerWaalsContact O-N 3.1Å; N720-C724 PolarHBondContact O-SG 2.91Å
721	L	82.8	Confident	83.6	Confident	27 Å²	27	38.8 Å²	38.8	14%	0.141	21%	0.214	C	C	.	.	H	α-helix	trans	-64.7	-32.6	-174.7	-169.9	63.3	0	0	0	113.7	F723 C724 M725 R782 K785	L721-F723 VanDerWaalsContact C-N 3.34Å; L721-C724 PolarHBondContact O-N 2.85Å; L721-M725 WeakPolarHBondContact O-CB 3.36Å; L721-M725 PolarHBondContact O-N 2.93Å; L721-R782 HydrophobicContact CD2-CG 4.13Å; L721-K785 HydrophobicContact CD2-CB 3.62Å; L721-K785 HydrophobicContact CD2-CD 4.33Å; L721-K785 HydrophobicContact CG-CB 3.87Å
722	D	83.8	Confident	83.9	Confident	49 Å²	49	40.9 Å²	40.9	26%	0.262	22%	0.218	S	C	.	.	H	α-helix	trans	-70.7	-29	175	-71.5	-79.6	0	0	0	112.5	L691 N720 F726 K785	L691-D722 HydrophobicContact CD2-CB 4.16Å; N720-D722 VanDerWaalsContact C-N 3.33Å; N720-D722 PolarHBondContact O-N 2.82Å; N720-D722 WeakPolarHBondContact OD1-CA 3.31Å; N720-D722 WeakPolarHBondContact OD1-CB 3.48Å; N720-D722 PolarHBondContact OD1-N 3.42Å; D722-F726 WeakPolarHBondContact O-CB 3.37Å; D722-F726 PolarHBondContact O-N 2.85Å; D722-F726 VanDerWaalsContact O-N 3.1Å; D722-K785 WeakPolarHBondContact OD1-CE 3.49Å; D722-K785 IonicContact OD1-NZ 2.7Å; D722-K785 PolarHBondContact OD1-NZ 2.95Å; D722-K785 IonicContact OD2-NZ 3.56Å; D722-K785 PolarHBondContact OD2-NZ 3.12Å
723	F	86.3	Confident	84.1	Confident	10 Å²	10	44.1 Å²	44.1	4%	0.044	23%	0.233	C	C	.	.	H	α-helix	trans	-68.6	-46.8	169.2	-82.9	-119.7	0	0	0	111	V690 L691 L694 N720 L721 M725 F726 V727	V690-F723 HydrophobicContact CB-CE1 4.29Å; V690-F723 HydrophobicContact CB-CZ 3.81Å; V690-F723 HydrophobicContact CG1-CE1 3.87Å; V690-F723 HydrophobicContact CG1-CZ 3.93Å; L691-F723 HydrophobicContact CB-CD2 4.33Å; L691-F723 HydrophobicContact CB-CE2 3.63Å; L691-F723 HydrophobicContact CB-CZ 3.91Å; L691-F723 HydrophobicContact CD1-CD2 4.02Å; L691-F723 HydrophobicContact CD1-CE2 4.15Å; L691-F723 HydrophobicContact CD1-CG 4.33Å; L691-F723 HydrophobicContact CG-CE2 4.33Å; L694-F723 HydrophobicContact CD1-CD1 3.61Å; L694-F723 HydrophobicContact CD1-CE1 3.54Å; N720-F723 WeakPolarHBondContact ND2-CD2 3.33Å; N720-F723 WeakPolarHBondContact O-CB 3.41Å; N720-F723 PolarHBondContact O-N 3.09Å; N720-F723 VanDerWaalsContact O-N 3.13Å; N720-F723 WeakPolarHBondContact OD1-CD2 3.07Å; N720-F723 PolarHBondContact OD1-N 2.67Å; N720-F723 VanDerWaalsContact OD1-N 3.1Å; L721-F723 VanDerWaalsContact C-N 3.34Å; F723-M725 VanDerWaalsContact C-N 3.31Å; F723-M725 PolarHBondContact O-N 3.03Å; F723-F726 PolarHBondContact O-N 2.9Å; F723-F726 VanDerWaalsContact O-N 3.13Å; F723-V727 VanDerWaalsContact O-CB 3.31Å; F723-V727 WeakPolarHBondContact O-CB 3.46Å; F723-V727 VanDerWaalsContact O-CG2 3.28Å; F723-V727 WeakPolarHBondContact O-CG2 3.3Å; F723-V727 PolarHBondContact O-N 2.87Å
724	C	85.9	Confident	84.2	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.3	-46.3	177.1	-64.1	0	0	0	0	111.1	N720 L721 F726 V727 L728	N720-C724 PolarHBondContact O-N 2.87Å; N720-C724 VanDerWaalsContact O-N 3.1Å; N720-C724 PolarHBondContact O-SG 2.91Å; L721-C724 PolarHBondContact O-N 2.85Å; C724-F726 VanDerWaalsContact C-N 3.34Å; C724-F726 PolarHBondContact O-N 2.72Å; C724-V727 PolarHBondContact O-N 3.33Å; C724-L728 WeakPolarHBondContact O-CB 3.36Å; C724-L728 WeakPolarHBondContact O-CD1 3.3Å; C724-L728 VanDerWaalsContact O-CG 3.22Å; C724-L728 WeakPolarHBondContact O-CG 3.28Å; C724-L728 PolarHBondContact O-N 3.21Å
725	M	87.9	Confident	84.4	Confident	61 Å²	61	38.2 Å²	38.2	30%	0.3	20%	0.204	S	C	.	.	H	α-helix	trans	-59.5	-39.1	175.3	-177	-176.1	64.6	0	0	113.1	L721 F723 P729 K785	L721-M725 WeakPolarHBondContact O-CB 3.36Å; L721-M725 PolarHBondContact O-N 2.93Å; F723-M725 VanDerWaalsContact C-N 3.31Å; F723-M725 PolarHBondContact O-N 3.03Å; M725-P729 VanDerWaalsContact O-CD 3.29Å; M725-P729 WeakPolarHBondContact O-CD 3.29Å; M725-K785 HydrophobicContact SD-CG 3.96Å
726	F	88.3	Confident	84.6	Confident	34 Å²	34	38.2 Å²	38.2	15%	0.149	21%	0.206	C	C	.	.	H	α-helix	trans	-78	-32.6	179.3	-176	-103.6	0	0	0	113.7	L691 L694 R695 R698 F705 D722 F723 C724	L691-F726 HydrophobicContact CD1-CB 4.02Å; L691-F726 HydrophobicContact CD1-CD1 4.21Å; L691-F726 HydrophobicContact CD1-CG 4.16Å; L694-F726 HydrophobicContact CB-CD1 4.25Å; L694-F726 HydrophobicContact CB-CE1 3.95Å; R695-F726 HydrophobicContact CB-CZ 4.31Å; R695-F726 HydrophobicContact CG-CD2 4.32Å; R695-F726 HydrophobicContact CG-CE1 4.22Å; R695-F726 HydrophobicContact CG-CE2 3.72Å; R695-F726 HydrophobicContact CG-CZ 3.66Å; R698-F726 HydrophobicContact CB-CZ 4.47Å; F705-F726 HydrophobicContact CE2-CE1 4.14Å; D722-F726 WeakPolarHBondContact O-CB 3.37Å; D722-F726 PolarHBondContact O-N 2.85Å; D722-F726 VanDerWaalsContact O-N 3.1Å; F723-F726 PolarHBondContact O-N 2.9Å; F723-F726 VanDerWaalsContact O-N 3.13Å; C724-F726 VanDerWaalsContact C-N 3.34Å; C724-F726 PolarHBondContact O-N 2.72Å
727	V	89.6	Confident	85.1	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-93	-27.6	-171.2	175.7	0	0	0	0	112.7	L694 L709 W719 F723 C724 E730 I731 T749	L694-V727 HydrophobicContact CD1-CG2 4.16Å; L709-V727 HydrophobicContact CD1-CG1 3.92Å; L709-V727 HydrophobicContact CD2-CG1 4.49Å; W719-V727 HydrophobicContact CH2-CG1 4.37Å; F723-V727 VanDerWaalsContact O-CB 3.31Å; F723-V727 WeakPolarHBondContact O-CB 3.46Å; F723-V727 VanDerWaalsContact O-CG2 3.28Å; F723-V727 WeakPolarHBondContact O-CG2 3.3Å; F723-V727 PolarHBondContact O-N 2.87Å; C724-V727 PolarHBondContact O-N 3.33Å; V727-E730 PolarHBondContact O-N 2.84Å; V727-E730 VanDerWaalsContact O-N 3.13Å; V727-I731 HydrophobicContact CG1-CD1 3.95Å; V727-I731 HydrophobicContact CG1-CG1 4.05Å; V727-I731 WeakPolarHBondContact O-CG1 3.35Å; V727-I731 PolarHBondContact O-N 3.45Å; V727-T749 HydrophobicContact CG1-CG2 3.88Å
728	L	89.7	Confident	85.1	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.7	-41.2	177.4	-79.6	167.7	0	0	0	114.5	C724 E730 I731 Y732 L750 I753 C789 W792 L793 I796	C724-L728 WeakPolarHBondContact O-CB 3.36Å; C724-L728 WeakPolarHBondContact O-CD1 3.3Å; C724-L728 VanDerWaalsContact O-CG 3.22Å; C724-L728 WeakPolarHBondContact O-CG 3.28Å; C724-L728 PolarHBondContact O-N 3.21Å; L728-E730 PolarHBondContact O-N 3.38Å; L728-I731 HydrophobicContact CD2-CD1 4.38Å; L728-I731 PolarHBondContact O-N 2.88Å; L728-Y732 PolarHBondContact O-N 3.5Å; L728-Y732 VanDerWaalsContact O-N 3.11Å; L728-L750 HydrophobicContact CD2-CD1 4.39Å; L728-I753 HydrophobicContact CD2-CD1 4.04Å; L728-I753 HydrophobicContact CD2-CG2 4.39Å; L728-I753 HydrophobicContact CG-CD1 4.16Å; L728-C789 HydrophobicContact CD1-CB 3.85Å; L728-W792 HydrophobicContact CB-CB 3.83Å; L728-W792 HydrophobicContact CB-CG 4.38Å; L728-W792 HydrophobicContact CD1-CB 4.43Å; L728-L793 HydrophobicContact CD1-CG 4.18Å; L728-L793 HydrophobicContact CD2-CD2 3.62Å; L728-L793 HydrophobicContact CD2-CG 4.06Å; L728-I796 HydrophobicContact CD2-CD1 3.91Å
729	P	89.9	Confident	85.3	Confident	24 Å²	24	43.2 Å²	43.2	16%	0.156	21%	0.21	C	C	.	.	H	α-helix	trans	-61.5	-40.5	172.3	-22.5	33	0	0	0	113	M725 Y732 E733 W792	M725-P729 VanDerWaalsContact O-CD 3.29Å; M725-P729 WeakPolarHBondContact O-CD 3.29Å; P729-Y732 WeakPolarHBondContact O-CB 3.4Å; P729-Y732 PolarHBondContact O-N 2.79Å; P729-E733 PolarHBondContact O-N 3.41Å; P729-E733 VanDerWaalsContact O-N 3.16Å; P729-W792 HydrophobicContact CB-CD2 4.32Å; P729-W792 HydrophobicContact CB-CE3 4.24Å; P729-W792 HydrophobicContact CB-CH2 4.03Å; P729-W792 HydrophobicContact CB-CZ2 4.11Å; P729-W792 HydrophobicContact CB-CZ3 4.09Å; P729-W792 HydrophobicContact CG-CD2 3.95Å; P729-W792 HydrophobicContact CG-CE3 4.37Å; P729-W792 HydrophobicContact CG-CG 4.37Å; P729-W792 HydrophobicContact CG-CH2 4.41Å; P729-W792 HydrophobicContact CG-CZ2 4.01Å
730	E	87.6	Confident	85.2	Confident	7 Å²	7	48.8 Å²	48.8	3%	0.033	23%	0.234	C	C	.	.	H	α-helix	trans	-68.3	-37.7	178	-55	-58.6	109	0	0	111.4	R698 F705 V727 L728 Y732 E733 L734	R698-E730 IonicContact CZ-OE1 3.07Å; R698-E730 IonicContact CZ-OE2 2.72Å; R698-E730 IonicContact NE-OE1 3.25Å; R698-E730 PolarHBondContact NE-OE1 2.84Å; R698-E730 VanDerWaalsContact NE-OE1 3.07Å; R698-E730 IonicContact NE-OE2 3.2Å; R698-E730 PolarHBondContact NE-OE2 2.72Å; R698-E730 IonicContact NH1-OE1 2.92Å; R698-E730 PolarHBondContact NH1-OE1 2.7Å; R698-E730 VanDerWaalsContact NH1-OE1 3.08Å; R698-E730 IonicContact NH2-OE1 2.75Å; R698-E730 PolarHBondContact NH2-OE1 2.78Å; F705-E730 HydrophobicContact CE1-CB 3.65Å; F705-E730 HydrophobicContact CE1-CG 3.95Å; F705-E730 HydrophobicContact CE2-CG 4.23Å; F705-E730 HydrophobicContact CZ-CB 3.71Å; F705-E730 HydrophobicContact CZ-CG 3.61Å; V727-E730 PolarHBondContact O-N 2.84Å; V727-E730 VanDerWaalsContact O-N 3.13Å; L728-E730 PolarHBondContact O-N 3.38Å; E730-Y732 VanDerWaalsContact C-N 3.3Å; E730-Y732 PolarHBondContact O-N 2.92Å; E730-E733 PolarHBondContact O-N 3.16Å; E730-L734 WeakPolarHBondContact O-CB 3.4Å; E730-L734 WeakPolarHBondContact O-CG 3.36Å; E730-L734 PolarHBondContact O-N 2.89Å
731	I	88.8	Confident	85.1	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-57.9	-44.4	172.1	-71	169.3	0	0	0	110.4	V727 L728 E733 L734 L735 A746 T749 L750 I753 I796	V727-I731 HydrophobicContact CG1-CD1 3.95Å; V727-I731 HydrophobicContact CG1-CG1 4.05Å; V727-I731 WeakPolarHBondContact O-CG1 3.35Å; V727-I731 PolarHBondContact O-N 3.45Å; L728-I731 HydrophobicContact CD2-CD1 4.38Å; L728-I731 PolarHBondContact O-N 2.88Å; I731-E733 VanDerWaalsContact C-N 3.34Å; I731-E733 PolarHBondContact O-N 3.07Å; I731-L734 PolarHBondContact O-N 3.04Å; I731-L735 HydrophobicContact CG2-CD1 3.8Å; I731-L735 HydrophobicContact CG2-CG 4.18Å; I731-L735 WeakPolarHBondContact O-CB 3.45Å; I731-L735 VanDerWaalsContact O-CG 3.29Å; I731-L735 WeakPolarHBondContact O-CG 3.35Å; I731-L735 PolarHBondContact O-N 2.93Å; I731-A746 HydrophobicContact CG2-CB 4.32Å; I731-T749 HydrophobicContact CD1-CG2 3.66Å; I731-T749 HydrophobicContact CG1-CG2 4.21Å; I731-L750 HydrophobicContact CD1-CB 4.49Å; I731-L750 HydrophobicContact CG2-CB 4.35Å; I731-I753 HydrophobicContact CD1-CD1 3.58Å; I731-I796 HydrophobicContact CB-CD1 4.45Å; I731-I796 HydrophobicContact CG2-CD1 3.9Å
732	Y	88.1	Confident	85.2	Confident	67 Å²	67	51.8 Å²	51.8	26%	0.263	24%	0.243	S	C	.	.	H	α-helix	trans	-61.8	-38.3	178.8	178.6	-94.6	0	0	0	112.6	L728 P729 E730 Q736 W792 Q795 I796 L799	L728-Y732 PolarHBondContact O-N 3.5Å; L728-Y732 VanDerWaalsContact O-N 3.11Å; P729-Y732 WeakPolarHBondContact O-CB 3.4Å; P729-Y732 PolarHBondContact O-N 2.79Å; E730-Y732 VanDerWaalsContact C-N 3.3Å; E730-Y732 PolarHBondContact O-N 2.92Å; Y732-Q736 PolarHBondContact O-NE2 3.05Å; Y732-W792 HydrophobicContact CD1-CZ3 4.1Å; Y732-W792 HydrophobicContact CG-CE3 4.44Å; Y732-W792 HydrophobicContact CG-CZ3 4.26Å; Y732-Q795 HydrophobicContact CD2-CB 4.25Å; Y732-Q795 HydrophobicContact CE2-CB 4.04Å; Y732-I796 HydrophobicContact CD2-CG1 4.02Å; Y732-L799 HydrophobicContact CD2-CD1 3.95Å; Y732-L799 HydrophobicContact CD2-CD2 4.07Å; Y732-L799 HydrophobicContact CD2-CG 4.06Å; Y732-L799 HydrophobicContact CE2-CD1 4.2Å; Y732-L799 HydrophobicContact CE2-CD2 3.51Å; Y732-L799 HydrophobicContact CE2-CG 3.79Å
733	E	86.9	Confident	85.3	Confident	77 Å²	77	49.9 Å²	49.9	36%	0.36	23%	0.233	S	C	.	.	H	α-helix	trans	-70.6	-40.8	171.4	-72.8	-166.7	-146	0	0	112.9	K702 P729 E730 I731 Q736 S737	K702-E733 WeakPolarHBondContact CE-OE2 3.39Å; K702-E733 IonicContact NZ-OE2 3.08Å; K702-E733 PolarHBondContact NZ-OE2 2.97Å; P729-E733 PolarHBondContact O-N 3.41Å; P729-E733 VanDerWaalsContact O-N 3.16Å; E730-E733 PolarHBondContact O-N 3.16Å; I731-E733 VanDerWaalsContact C-N 3.34Å; I731-E733 PolarHBondContact O-N 3.07Å; E733-Q736 PolarHBondContact O-N 3.38Å; E733-S737 PolarHBondContact O-N 3.01Å
734	L	86.1	Confident	85.3	Confident	8 Å²	8	52.4 Å²	52.4	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-69.3	-34.9	-177	-70.3	170.8	0	0	0	112.7	F705 I706 E730 I731 Q736 S737 H742 A746	F705-L734 HydrophobicContact CE1-CD1 4.26Å; I706-L734 HydrophobicContact CD1-CD2 3.53Å; I706-L734 HydrophobicContact CG1-CD1 4.16Å; I706-L734 HydrophobicContact CG1-CD2 3.93Å; E730-L734 WeakPolarHBondContact O-CB 3.4Å; E730-L734 WeakPolarHBondContact O-CG 3.36Å; E730-L734 PolarHBondContact O-N 2.89Å; I731-L734 PolarHBondContact O-N 3.04Å; L734-Q736 PolarHBondContact O-N 3.2Å; L734-S737 PolarHBondContact O-N 3.44Å; L734-S737 VanDerWaalsContact O-N 3.14Å; L734-S737 PolarHBondContact O-OG 2.85Å; L734-H742 HydrophobicContact CD2-CB 4.05Å; L734-A746 HydrophobicContact CB-CB 3.78Å
735	L	83.7	Confident	85.4	Confident	8 Å²	8	55.1 Å²	55.1	4%	0.042	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-23.7	174	-73.8	172.9	0	0	0	113.3	I731 F743 A746 I796 L799 L809	I731-L735 HydrophobicContact CG2-CD1 3.8Å; I731-L735 HydrophobicContact CG2-CG 4.18Å; I731-L735 WeakPolarHBondContact O-CB 3.45Å; I731-L735 VanDerWaalsContact O-CG 3.29Å; I731-L735 WeakPolarHBondContact O-CG 3.35Å; I731-L735 PolarHBondContact O-N 2.93Å; L735-F743 HydrophobicContact CD2-CD2 4.03Å; L735-F743 HydrophobicContact CD2-CE2 4Å; L735-A746 HydrophobicContact CD2-CB 3.85Å; L735-A746 HydrophobicContact CG-CB 3.91Å; L735-I796 HydrophobicContact CD1-CG2 3.93Å; L735-L799 HydrophobicContact CB-CD1 4.03Å; L735-L799 HydrophobicContact CD1-CD1 3.85Å; L735-L809 HydrophobicContact CD1-CD1 4.01Å; L735-L809 HydrophobicContact CD2-CD1 4.1Å
736	Q	83.1	Confident	85.4	Confident	113 Å²	113	52.2 Å²	52.2	53%	0.528	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-6.9	175.8	-69.6	171.7	67.4	0	0	113.3	Y732 E733 L734 L799	Y732-Q736 PolarHBondContact O-NE2 3.05Å; E733-Q736 PolarHBondContact O-N 3.38Å; L734-Q736 PolarHBondContact O-N 3.2Å; Q736-L799 HydrophobicContact CG-CD2 4Å
737	S	81.8	Confident	85.3	Confident	34 Å²	34	50.8 Å²	50.8	24%	0.238	24%	0.239	C	C	.	.	S	Bend	trans	-81.3	142.8	-174.5	74.6	0	0	0	0	112.7	E733 L734 H739 H742	E733-S737 PolarHBondContact O-N 3.01Å; L734-S737 PolarHBondContact O-N 3.44Å; L734-S737 VanDerWaalsContact O-N 3.14Å; L734-S737 PolarHBondContact O-OG 2.85Å; S737-H739 PolarHBondContact O-N 2.82Å; S737-H739 VanDerWaalsContact O-N 3.12Å; S737-H742 WeakPolarHBondContact OG-CB 3.2Å; S737-H742 PolarHBondContact OG-ND1 3.28Å
738	Q	73.2	Confident	85.2	Confident	189 Å²	189	52.8 Å²	52.8	88%	0.883	25%	0.25	S	C	*	.	S	Bend	trans	-67.2	-12	-176.3	-64.4	176	-8.6	0	0	113.9
739	H	80.1	Confident	85.2	Confident	115 Å²	115	52.8 Å²	52.8	53%	0.532	25%	0.25	S	C	.	.			trans	-88.5	112.9	-176.1	-57.1	-67.8	0	0	0	111.8	S737 F741 H742 F743	S737-H739 PolarHBondContact O-N 2.82Å; S737-H739 VanDerWaalsContact O-N 3.12Å; H739-F741 PolarHBondContact O-N 2.82Å; H739-H742 HydrophobicContact CB-CB 4.29Å; H739-H742 AromaticContact CD2-CE1 3.44Å; H739-H742 PolarHBondContact CD2-CE1 2.58Å; H739-H742 VanDerWaalsContact CD2-CE1 3.44Å; H739-H742 AromaticContact CD2-ND1 3.68Å; H739-H742 AromaticContact CG-CE1 3.96Å; H739-H742 WeakPolarHBondContact O-CB 3.36Å; H739-H742 PolarHBondContact O-N 3Å; H739-F743 PolarHBondContact O-N 2.85Å
740	K	80.8	Confident	85.2	Confident	134 Å²	134	51.6 Å²	51.6	58%	0.583	24%	0.242	S	C	*	.	H	α-helix	trans	-45.6	-41.7	177.7	-174.3	177.8	-178.2	179.2	0	114.1	H742 F743 T744 F805	K740-H742 PolarHBondContact O-N 3.07Å; K740-F743 PolarHBondContact O-N 3.41Å; K740-T744 PolarHBondContact O-N 2.95Å; K740-T744 PolarHBondContact O-OG1 3.4Å; K740-T744 VanDerWaalsContact O-OG1 3.1Å; K740-F805 HydrophobicContact CB-CE1 4.48Å; K740-F805 HydrophobicContact CB-CE2 4.07Å; K740-F805 HydrophobicContact CB-CZ 3.8Å; K740-F805 HydrophobicContact CD-CE1 3.76Å; K740-F805 HydrophobicContact CD-CZ 3.8Å; K740-F805 HydrophobicContact CG-CE1 3.84Å; K740-F805 HydrophobicContact CG-CE2 4.21Å; K740-F805 HydrophobicContact CG-CZ 3.66Å
741	F	82.4	Confident	85.3	Confident	125 Å²	125	56.5 Å²	56.5	55%	0.548	26%	0.26	S	S	.	.	H	α-helix	trans	-62.8	-40.6	179.2	-177.2	-113.3	0	0	0	113	I706 H739 R745	I706-F741 HydrophobicContact CG2-CD1 4.18Å; I706-F741 HydrophobicContact CG2-CE1 3.71Å; H739-F741 PolarHBondContact O-N 2.82Å; F741-R745 PolarHBondContact O-N 2.94Å
742	H	85.8	Confident	85.2	Confident	32 Å²	32	58.2 Å²	58.2	15%	0.148	27%	0.269	C	S	.	.	H	α-helix	trans	-65.2	-46.2	177.6	-62	-173.6	0	0	0	110.5	I706 L734 S737 H739 K740 R745 A746	I706-H742 HydrophobicContact CD1-CB 4.1Å; I706-H742 WeakPolarHBondContact CD1-CD2 3.47Å; I706-H742 VanDerWaalsContact CD1-CG 3.45Å; L734-H742 HydrophobicContact CD2-CB 4.05Å; S737-H742 WeakPolarHBondContact OG-CB 3.2Å; S737-H742 PolarHBondContact OG-ND1 3.28Å; H739-H742 HydrophobicContact CB-CB 4.29Å; H739-H742 AromaticContact CD2-CE1 3.44Å; H739-H742 PolarHBondContact CD2-CE1 2.58Å; H739-H742 VanDerWaalsContact CD2-CE1 3.44Å; H739-H742 AromaticContact CD2-ND1 3.68Å; H739-H742 AromaticContact CG-CE1 3.96Å; H739-H742 WeakPolarHBondContact O-CB 3.36Å; H739-H742 PolarHBondContact O-N 3Å; K740-H742 PolarHBondContact O-N 3.07Å; H742-R745 PolarHBondContact O-N 2.84Å; H742-A746 WeakPolarHBondContact O-CB 3.48Å; H742-A746 PolarHBondContact O-N 3.03Å
743	F	84.9	Confident	85.2	Confident	10 Å²	10	55 Å²	55	4%	0.044	26%	0.257	C	S	.	.	H	α-helix	trans	-59.8	-46	177.1	-178	-87.3	0	0	0	112.3	L735 H739 K740 A746 C747 F805 L809	L735-F743 HydrophobicContact CD2-CD2 4.03Å; L735-F743 HydrophobicContact CD2-CE2 4Å; H739-F743 PolarHBondContact O-N 2.85Å; K740-F743 PolarHBondContact O-N 3.41Å; F743-A746 PolarHBondContact O-N 3.08Å; F743-C747 PolarHBondContact O-N 3.45Å; F743-C747 PolarHBondContact O-SG 2.97Å; F743-C747 VanDerWaalsContact O-SG 3.35Å; F743-F805 HydrophobicContact CD1-CB 3.87Å; F743-F805 HydrophobicContact CD1-CD2 4.49Å; F743-F805 HydrophobicContact CD1-CG 4.33Å; F743-F805 HydrophobicContact CE1-CB 3.45Å; F743-F805 VanDerWaalsContact CE1-CB 3.45Å; F743-F805 HydrophobicContact CE1-CG 4.38Å; F743-F805 HydrophobicContact CE2-CB 4.41Å; F743-F805 HydrophobicContact CZ-CB 3.75Å; F743-L809 HydrophobicContact CE2-CD2 4.3Å; F743-L809 HydrophobicContact CZ-CB 3.98Å; F743-L809 HydrophobicContact CZ-CD2 4.46Å
744	T	85.7	Confident	85.1	Confident	63 Å²	63	51.8 Å²	51.8	39%	0.387	24%	0.242	S	C	.	.	H	α-helix	trans	-61.6	-46.1	175.9	-57.5	0	0	0	0	111.3	K740 A746 C747 D748	K740-T744 PolarHBondContact O-N 2.95Å; K740-T744 PolarHBondContact O-OG1 3.4Å; K740-T744 VanDerWaalsContact O-OG1 3.1Å; T744-A746 VanDerWaalsContact C-N 3.33Å; T744-A746 PolarHBondContact O-N 3.31Å; T744-C747 PolarHBondContact O-N 2.85Å; T744-D748 PolarHBondContact O-N 3.32Å
745	R	88.2	Confident	85.1	Confident	57 Å²	57	55 Å²	55	22%	0.215	27%	0.265	C	S	.	.	H	α-helix	trans	-64.8	-36.6	178.9	-150.4	75.7	-165.9	164.6	-6.8	112.5	I706 G710 F741 H742 D748 T749	I706-R745 HydrophobicContact CG2-CB 4.14Å; I706-R745 HydrophobicContact CG2-CG 4.12Å; G710-R745 PolarHBondContact O-NH2 3.4Å; F741-R745 PolarHBondContact O-N 2.94Å; H742-R745 PolarHBondContact O-N 2.84Å; R745-D748 PolarHBondContact O-N 2.59Å; R745-T749 WeakPolarHBondContact O-CB 3.31Å; R745-T749 PolarHBondContact O-N 3.24Å; R745-T749 PolarHBondContact O-OG1 2.83Å
746	A	88.1	Confident	85.1	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.7	-45.6	174.5	0	0	0	0	0	111.7	I731 L734 L735 H742 F743 T744 T749 L750	I731-A746 HydrophobicContact CG2-CB 4.32Å; L734-A746 HydrophobicContact CB-CB 3.78Å; L735-A746 HydrophobicContact CD2-CB 3.85Å; L735-A746 HydrophobicContact CG-CB 3.91Å; H742-A746 WeakPolarHBondContact O-CB 3.48Å; H742-A746 PolarHBondContact O-N 3.03Å; F743-A746 PolarHBondContact O-N 3.08Å; T744-A746 VanDerWaalsContact C-N 3.33Å; T744-A746 PolarHBondContact O-N 3.31Å; A746-T749 PolarHBondContact O-N 2.87Å; A746-L750 WeakPolarHBondContact O-CB 3.36Å; A746-L750 PolarHBondContact O-N 3.16Å
747	C	87.6	Confident	85.2	Confident	3 Å²	3	54.3 Å²	54.3	2%	0.02	26%	0.264	C	S	.	.	H	α-helix	trans	-60.8	-45.1	174.9	-71.5	0	0	0	0	112.8	F743 T744 T749 L750 R751 T808 L812	F743-C747 PolarHBondContact O-N 3.45Å; F743-C747 PolarHBondContact O-SG 2.97Å; F743-C747 VanDerWaalsContact O-SG 3.35Å; T744-C747 PolarHBondContact O-N 2.85Å; C747-T749 VanDerWaalsContact C-N 3.33Å; C747-T749 PolarHBondContact O-N 2.99Å; C747-L750 PolarHBondContact O-N 2.96Å; C747-R751 PolarHBondContact O-N 2.8Å; C747-T808 HydrophobicContact CB-CG2 4.31Å; C747-L812 HydrophobicContact CB-CD1 3.89Å; C747-L812 WeakPolarHBondContact O-CD1 3.17Å
748	D	87.8	Confident	85.3	Confident	42 Å²	42	53.4 Å²	53.4	23%	0.225	26%	0.256	C	S	.	.	H	α-helix	trans	-65.4	-37.7	178.4	-70.1	-27	0	0	0	112.1	L713 T744 R745 R751 I752	L713-D748 HydrophobicContact CD1-CB 3.92Å; T744-D748 PolarHBondContact O-N 3.32Å; R745-D748 PolarHBondContact O-N 2.59Å; D748-R751 PolarHBondContact O-N 2.96Å; D748-R751 IonicContact OD1-CZ 2.72Å; D748-R751 IonicContact OD1-NH1 3.7Å; D748-R751 PolarHBondContact OD1-NH1 2.94Å; D748-R751 IonicContact OD1-NH2 3.55Å; D748-R751 PolarHBondContact OD1-NH2 2.86Å; D748-I752 PolarHBondContact O-N 3.3Å
749	T	89.2	Confident	85.7	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.1	-47.8	175.4	-53.4	0	0	0	0	111.2	L709 L713 W719 V727 I731 R745 A746 C747 R751 I752 I753	L709-T749 HydrophobicContact CD1-CG2 3.85Å; L709-T749 HydrophobicContact CD2-CG2 4.15Å; L709-T749 WeakPolarHBondContact CD2-OG1 3.26Å; L709-T749 HydrophobicContact CG-CG2 4.28Å; L713-T749 HydrophobicContact CD2-CG2 4.09Å; W719-T749 HydrophobicContact CH2-CG2 3.55Å; W719-T749 HydrophobicContact CZ2-CG2 4.23Å; W719-T749 HydrophobicContact CZ3-CG2 4.39Å; V727-T749 HydrophobicContact CG1-CG2 3.88Å; I731-T749 HydrophobicContact CD1-CG2 3.66Å; I731-T749 HydrophobicContact CG1-CG2 4.21Å; R745-T749 WeakPolarHBondContact O-CB 3.31Å; R745-T749 PolarHBondContact O-N 3.24Å; R745-T749 PolarHBondContact O-OG1 2.83Å; A746-T749 PolarHBondContact O-N 2.87Å; C747-T749 VanDerWaalsContact C-N 3.33Å; C747-T749 PolarHBondContact O-N 2.99Å; T749-R751 VanDerWaalsContact C-N 3.26Å; T749-R751 PolarHBondContact O-N 3.33Å; T749-I752 PolarHBondContact O-N 3.49Å; T749-I753 HydrophobicContact CG2-CD1 4.35Å; T749-I753 PolarHBondContact O-N 3.22Å; T749-I753 VanDerWaalsContact O-N 3.14Å
750	L	89.1	Confident	85.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-57.9	-39.3	176.5	-179	61.9	0	0	0	111.3	L728 I731 A746 C747 I752 I753 L754 L793 I796 L812	L728-L750 HydrophobicContact CD2-CD1 4.39Å; I731-L750 HydrophobicContact CD1-CB 4.49Å; I731-L750 HydrophobicContact CG2-CB 4.35Å; A746-L750 WeakPolarHBondContact O-CB 3.36Å; A746-L750 PolarHBondContact O-N 3.16Å; C747-L750 PolarHBondContact O-N 2.96Å; L750-I752 VanDerWaalsContact C-N 3.34Å; L750-I752 PolarHBondContact O-N 3.47Å; L750-I753 PolarHBondContact O-N 2.93Å; L750-L754 HydrophobicContact CD1-CD1 4.11Å; L750-L754 HydrophobicContact CD1-CG 4.1Å; L750-L754 HydrophobicContact CG-CD1 3.91Å; L750-L754 HydrophobicContact CG-CG 4.31Å; L750-L754 WeakPolarHBondContact O-CB 3.22Å; L750-L754 WeakPolarHBondContact O-CG 3.47Å; L750-L754 PolarHBondContact O-N 3.31Å; L750-L793 HydrophobicContact CD1-CD2 3.71Å; L750-I796 HydrophobicContact CD1-CD1 4.4Å; L750-I796 HydrophobicContact CD2-CG2 3.76Å; L750-L812 HydrophobicContact CB-CD1 4.47Å; L750-L812 HydrophobicContact CD2-CB 4.09Å; L750-L812 HydrophobicContact CD2-CD1 4.16Å; L750-L812 HydrophobicContact CG-CD1 4.49Å
751	R	89.1	Confident	85.8	Confident	109 Å²	109	37.4 Å²	37.4	41%	0.411	19%	0.192	S	C	.	.	H	α-helix	trans	-59.3	-41.3	177.3	-163.9	-177.3	-58.9	109.4	3.3	112.6	C747 D748 T749 S755 L812	C747-R751 PolarHBondContact O-N 2.8Å; D748-R751 PolarHBondContact O-N 2.96Å; D748-R751 IonicContact OD1-CZ 2.72Å; D748-R751 IonicContact OD1-NH1 3.7Å; D748-R751 PolarHBondContact OD1-NH1 2.94Å; D748-R751 IonicContact OD1-NH2 3.55Å; D748-R751 PolarHBondContact OD1-NH2 2.86Å; T749-R751 VanDerWaalsContact C-N 3.26Å; T749-R751 PolarHBondContact O-N 3.33Å; R751-S755 WeakPolarHBondContact O-CB 3.47Å; R751-S755 PolarHBondContact O-N 3.46Å; R751-S755 PolarHBondContact O-OG 2.9Å; R751-L812 HydrophobicContact CB-CD2 3.92Å; R751-L812 HydrophobicContact CG-CD2 3.96Å
752	I	87.1	Confident	85.7	Confident	36 Å²	36	34.6 Å²	34.6	19%	0.185	18%	0.18	C	C	.	.	H	α-helix	trans	-70.8	-38.2	177.3	-62.5	-167.3	0	0	0	111.6	L713 D748 T749 L750 L754 S755 N756	L713-I752 HydrophobicContact CB-CD1 4.24Å; L713-I752 HydrophobicContact CD2-CD1 3.86Å; L713-I752 HydrophobicContact CD2-CG1 4.48Å; D748-I752 PolarHBondContact O-N 3.3Å; T749-I752 PolarHBondContact O-N 3.49Å; L750-I752 VanDerWaalsContact C-N 3.34Å; L750-I752 PolarHBondContact O-N 3.47Å; I752-L754 VanDerWaalsContact C-N 3.34Å; I752-S755 PolarHBondContact O-OG 2.85Å; I752-N756 WeakPolarHBondContact O-CB 3.29Å; I752-N756 PolarHBondContact O-N 2.82Å; I752-N756 VanDerWaalsContact O-N 3.12Å
753	I	87.5	Confident	85.3	Confident	1 Å²	1	39 Å²	39	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-62.3	-45.1	175.2	-63.6	173.8	0	0	0	110.1	W719 L728 I731 T749 L750 F757 L758	W719-I753 HydrophobicContact CE3-CG1 4.24Å; W719-I753 HydrophobicContact CZ3-CD1 3.97Å; W719-I753 HydrophobicContact CZ3-CG1 3.74Å; L728-I753 HydrophobicContact CD2-CD1 4.04Å; L728-I753 HydrophobicContact CD2-CG2 4.39Å; L728-I753 HydrophobicContact CG-CD1 4.16Å; I731-I753 HydrophobicContact CD1-CD1 3.58Å; T749-I753 HydrophobicContact CG2-CD1 4.35Å; T749-I753 PolarHBondContact O-N 3.22Å; T749-I753 VanDerWaalsContact O-N 3.14Å; L750-I753 PolarHBondContact O-N 2.93Å; I753-F757 WeakPolarHBondContact O-CA 3.41Å; I753-F757 WeakPolarHBondContact O-CB 3.36Å; I753-F757 PolarHBondContact O-N 3.12Å; I753-L758 PolarHBondContact O-N 3.5Å
754	L	86.6	Confident	84.9	Confident	9 Å²	9	40.4 Å²	40.4	5%	0.047	21%	0.209	C	C	.	.	H	α-helix	trans	-69	-38.4	179.3	-66.3	176.4	0	0	0	113.1	L750 I752 L758 L793 L812 I815 I816	L750-L754 HydrophobicContact CD1-CD1 4.11Å; L750-L754 HydrophobicContact CD1-CG 4.1Å; L750-L754 HydrophobicContact CG-CD1 3.91Å; L750-L754 HydrophobicContact CG-CG 4.31Å; L750-L754 WeakPolarHBondContact O-CB 3.22Å; L750-L754 WeakPolarHBondContact O-CG 3.47Å; L750-L754 PolarHBondContact O-N 3.31Å; I752-L754 VanDerWaalsContact C-N 3.34Å; L754-L758 HydrophobicContact CD2-CB 4.47Å; L754-L758 HydrophobicContact CD2-CD1 4.39Å; L754-L758 HydrophobicContact CD2-CD2 4.3Å; L754-L758 WeakPolarHBondContact O-CB 3.25Å; L754-L793 HydrophobicContact CD2-CD1 4.34Å; L754-L793 HydrophobicContact CD2-CD2 3.9Å; L754-L812 HydrophobicContact CD1-CB 4.37Å; L754-L812 HydrophobicContact CD1-CD2 4.44Å; L754-I815 HydrophobicContact CB-CG2 4.23Å; L754-I815 HydrophobicContact CD1-CB 4.38Å; L754-I815 HydrophobicContact CD1-CG2 4.26Å; L754-I816 HydrophobicContact CD1-CG1 3.99Å; L754-I816 HydrophobicContact CD2-CG1 3.88Å
755	S	85.1	Confident	84.2	Confident	76 Å²	76	39.3 Å²	39.3	53%	0.531	20%	0.201	S	C	.	.	H	α-helix	trans	-70.3	-33.8	178.8	65.7	0	0	0	0	113.4	R751 I752	R751-S755 WeakPolarHBondContact O-CB 3.47Å; R751-S755 PolarHBondContact O-N 3.46Å; R751-S755 PolarHBondContact O-OG 2.9Å; I752-S755 PolarHBondContact O-OG 2.85Å
756	N	84	Confident	83.1	Confident	74 Å²	74	41.8 Å²	41.8	40%	0.396	22%	0.218	S	C	.	.	H	α-helix	trans	-106.4	-28.9	-167.7	-62.4	3.1	0	0	0	114	I752	I752-N756 WeakPolarHBondContact O-CB 3.29Å; I752-N756 PolarHBondContact O-N 2.82Å; I752-N756 VanDerWaalsContact O-N 3.12Å
757	F	84.9	Confident	81.6	Confident	32 Å²	32	46.4 Å²	46.4	14%	0.14	25%	0.251	C	S	.	.	H	α-helix	trans	-118.2	-17.5	-171.8	-62.9	-85.4	0	0	0	114.3	W719 I753 T760 I761	W719-F757 HydrophobicContact CB-CE2 3.74Å; W719-F757 HydrophobicContact CB-CZ 3.73Å; I753-F757 WeakPolarHBondContact O-CA 3.41Å; I753-F757 WeakPolarHBondContact O-CB 3.36Å; I753-F757 PolarHBondContact O-N 3.12Å; F757-T760 PolarHBondContact O-N 3.48Å; F757-I761 HydrophobicContact CB-CD1 4.23Å; F757-I761 VanDerWaalsContact O-CG1 3.28Å; F757-I761 WeakPolarHBondContact O-CG1 3.35Å; F757-I761 PolarHBondContact O-N 2.91Å
758	L	83.6	Confident	80	Confident	14 Å²	14	57.4 Å²	57.4	7%	0.073	29%	0.292	C	S	.	.	H	α-helix	trans	-55.4	-46.7	178.9	-178.1	64.9	0	0	0	113.3	I753 L754 T760 I761 Q762 I815 F818	I753-L758 PolarHBondContact O-N 3.5Å; L754-L758 HydrophobicContact CD2-CB 4.47Å; L754-L758 HydrophobicContact CD2-CD1 4.39Å; L754-L758 HydrophobicContact CD2-CD2 4.3Å; L754-L758 WeakPolarHBondContact O-CB 3.25Å; L758-T760 PolarHBondContact O-N 2.86Å; L758-I761 PolarHBondContact O-N 2.98Å; L758-Q762 HydrophobicContact CD1-CG 4.43Å; L758-Q762 WeakPolarHBondContact O-CG 3.38Å; L758-Q762 PolarHBondContact O-N 2.53Å; L758-I815 HydrophobicContact CD2-CG2 4.17Å; L758-I815 WeakPolarHBondContact CD2-O 3.49Å; L758-F818 HydrophobicContact CD1-CE1 3.72Å; L758-F818 HydrophobicContact CD1-CE2 3.91Å; L758-F818 HydrophobicContact CD1-CZ 3.34Å
759	P	81.9	Confident	78.3	Confident	61 Å²	61	57.5 Å²	57.5	40%	0.396	30%	0.298	S	S	.	.	H	α-helix	trans	-62.5	-42.6	178	-21	33.9	0	0	0	111.9	I761 Q762 E763	P759-I761 VanDerWaalsContact C-N 3.31Å; P759-I761 PolarHBondContact O-N 3.39Å; P759-Q762 PolarHBondContact O-N 2.8Å; P759-E763 WeakPolarHBondContact O-CB 3.41Å; P759-E763 VanDerWaalsContact O-CG 3.32Å; P759-E763 WeakPolarHBondContact O-CG 3.34Å; P759-E763 PolarHBondContact O-N 2.94Å
760	T	81.3	Confident	76.6	Confident	42 Å²	42	60 Å²	60	26%	0.258	32%	0.318	S	S	.	.	H	α-helix	trans	-66.3	-31.8	178.4	-54.5	0	0	0	0	112.7	F757 L758 N764	F757-T760 PolarHBondContact O-N 3.48Å; L758-T760 PolarHBondContact O-N 2.86Å; T760-N764 WeakPolarHBondContact O-CB 3.13Å; T760-N764 PolarHBondContact O-N 2.98Å; T760-N764 PolarHBondContact O-ND2 3.01Å
761	I	81.7	Confident	74.8	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-68.4	-48.1	173.5	-67.8	162	0	0	0	109.4	F757 L758 P759 N764 L765 C786 C789 Q790 L793 F818	F757-I761 HydrophobicContact CB-CD1 4.23Å; F757-I761 VanDerWaalsContact O-CG1 3.28Å; F757-I761 WeakPolarHBondContact O-CG1 3.35Å; F757-I761 PolarHBondContact O-N 2.91Å; L758-I761 PolarHBondContact O-N 2.98Å; P759-I761 VanDerWaalsContact C-N 3.31Å; P759-I761 PolarHBondContact O-N 3.39Å; I761-N764 PolarHBondContact O-N 2.93Å; I761-L765 HydrophobicContact CG2-CD1 3.65Å; I761-L765 VanDerWaalsContact O-CD1 3.31Å; I761-L765 WeakPolarHBondContact O-CD1 3.44Å; I761-L765 VanDerWaalsContact O-CG 3.28Å; I761-L765 WeakPolarHBondContact O-CG 3.21Å; I761-L765 PolarHBondContact O-N 3.44Å; I761-C786 HydrophobicContact CG2-CB 4.32Å; I761-C789 HydrophobicContact CD1-CB 3.78Å; I761-C789 HydrophobicContact CG1-CB 4.32Å; I761-Q790 HydrophobicContact CG2-CB 4.24Å; I761-L793 HydrophobicContact CD1-CD1 4.15Å; I761-F818 HydrophobicContact CB-CE1 4.49Å; I761-F818 HydrophobicContact CG2-CE1 3.76Å; I761-F818 HydrophobicContact CG2-CZ 3.81Å
762	Q	81.4	Confident	72.9	Confident	65 Å²	65	63.3 Å²	63.3	30%	0.304	36%	0.355	S	S	.	.	H	α-helix	trans	-57.2	-55.6	177	-69	165.6	-25.2	0	0	112.1	L758 P759 N764 L765 D766 I817 F818	L758-Q762 HydrophobicContact CD1-CG 4.43Å; L758-Q762 WeakPolarHBondContact O-CG 3.38Å; L758-Q762 PolarHBondContact O-N 2.53Å; P759-Q762 PolarHBondContact O-N 2.8Å; Q762-N764 PolarHBondContact O-N 2.99Å; Q762-L765 PolarHBondContact O-N 2.83Å; Q762-D766 PolarHBondContact O-N 2.84Å; Q762-I817 PolarHBondContact NE2-O 2.75Å; Q762-F818 HydrophobicContact CG-CD1 3.94Å; Q762-F818 HydrophobicContact CG-CE1 3.75Å
763	E	76.9	Confident	71.2	Confident	125 Å²	125	70.5 Å²	70.5	58%	0.584	39%	0.393	S	S	*	.	H	α-helix	trans	-56.9	-25.7	-179.2	-72.9	173.5	164.2	0	0	114.3	P759	P759-E763 WeakPolarHBondContact O-CB 3.41Å; P759-E763 VanDerWaalsContact O-CG 3.32Å; P759-E763 WeakPolarHBondContact O-CG 3.34Å; P759-E763 PolarHBondContact O-N 2.94Å
764	N	75.4	Confident	69.3	Low	40 Å²	40	72.8 Å²	72.8	21%	0.214	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	1	-179.5	-74.2	-105.7	0	0	0	112.8	T760 I761 Q762 R782 C786	T760-N764 WeakPolarHBondContact O-CB 3.13Å; T760-N764 PolarHBondContact O-N 2.98Å; T760-N764 PolarHBondContact O-ND2 3.01Å; I761-N764 PolarHBondContact O-N 2.93Å; Q762-N764 PolarHBondContact O-N 2.99Å; N764-R782 PolarHBondContact OD1-NE 3.37Å; N764-C786 HydrophobicContact CB-CB 4.36Å
765	L	71.7	Confident	67.8	Low	40 Å²	40	78.7 Å²	78.7	21%	0.209	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-20.5	176.7	-70.3	166.1	0	0	0	113	I761 Q762 S767 C786 A787 Q790	I761-L765 HydrophobicContact CG2-CD1 3.65Å; I761-L765 VanDerWaalsContact O-CD1 3.31Å; I761-L765 WeakPolarHBondContact O-CD1 3.44Å; I761-L765 VanDerWaalsContact O-CG 3.28Å; I761-L765 WeakPolarHBondContact O-CG 3.21Å; I761-L765 PolarHBondContact O-N 3.44Å; Q762-L765 PolarHBondContact O-N 2.83Å; L765-S767 PolarHBondContact O-N 2.91Å; L765-C786 HydrophobicContact CG-CB 4.4Å; L765-A787 HydrophobicContact CD2-CB 4.06Å; L765-Q790 HydrophobicContact CD1-CB 3.83Å; L765-Q790 HydrophobicContact CD1-CG 4.06Å
766	D	66.1	Low	66.4	Low	108 Å²	108	79.5 Å²	79.5	58%	0.578	45%	0.451	S	S	*	.			trans	-59.3	117.3	177.7	-84.8	-38.4	0	0	0	112.7	Q762 W768 A769	Q762-D766 PolarHBondContact O-N 2.84Å; D766-W768 PolarHBondContact O-N 2.78Å; D766-A769 WeakPolarHBondContact O-CB 3.26Å; D766-A769 PolarHBondContact O-N 2.88Å
767	S	56.2	Low	65.2	Low	98 Å²	98	79.9 Å²	79.9	69%	0.685	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-56.2	-22.8	-171.8	-50.8	0	0	0	0	115.2	L765 A769 A770	L765-S767 PolarHBondContact O-N 2.91Å; S767-A769 VanDerWaalsContact C-N 3.26Å; S767-A769 PolarHBondContact O-N 3Å; S767-A770 WeakPolarHBondContact O-CB 3.07Å; S767-A770 PolarHBondContact O-N 3.43Å
768	W	54.2	Low	64.3	Low	234 Å²	234	83.8 Å²	83.8	89%	0.886	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-64.3	-30.9	176.4	-173.1	-95.8	0	0	0	112.6	D766 A770	D766-W768 PolarHBondContact O-N 2.78Å; W768-A770 VanDerWaalsContact C-N 3.31Å; W768-A770 PolarHBondContact O-N 3.15Å
769	A	51.6	Low	63.6	Low	43 Å²	43	88.3 Å²	88.3	36%	0.355	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-74	-21.4	177	0	0	0	0	0	113.2	D766 S767 N771 R779	D766-A769 WeakPolarHBondContact O-CB 3.26Å; D766-A769 PolarHBondContact O-N 2.88Å; S767-A769 VanDerWaalsContact C-N 3.26Å; S767-A769 PolarHBondContact O-N 3Å; A769-N771 PolarHBondContact O-N 3.09Å; A769-R779 PolarHBondContact O-NH2 3.46Å
770	A	53.1	Low	63.1	Low	52 Å²	52	90.3 Å²	90.3	43%	0.43	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-77.4	-16.7	-170.3	0	0	0	0	0	114.6	S767 W768 G772	S767-A770 WeakPolarHBondContact O-CB 3.07Å; S767-A770 PolarHBondContact O-N 3.43Å; W768-A770 VanDerWaalsContact C-N 3.31Å; W768-A770 PolarHBondContact O-N 3.15Å; A770-G772 PolarHBondContact O-N 2.82Å
771	N	50.4	Low	62.9	Low	134 Å²	134	90.8 Å²	90.8	72%	0.717	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-73.1	10.2	-174.4	-71.7	-27.3	0	0	0	115.3	A769 L773	A769-N771 PolarHBondContact O-N 3.09Å; N771-L773 PolarHBondContact O-N 2.93Å
772	G	50.5	Low	62.8	Low	45 Å²	45	96.4 Å²	96.4	46%	0.464	53%	0.525	S	S	.	.			trans	-89.3	83	171.9	0	0	0	0	0	111.8	A770 G774	A770-G772 PolarHBondContact O-N 2.82Å; G772-G774 PolarHBondContact O-N 3.43Å
773	L	50.2	Low	62.8	Low	187 Å²	187	97.2 Å²	97.2	98%	0.979	53%	0.529	S	S	*	.			trans	-60.8	100.5	171.3	-86.8	152.1	0	0	0	110.6	N771	N771-L773 PolarHBondContact O-N 2.93Å
774	G	49.3	Very low	63	Low	49 Å²	49	98.1 Å²	98.1	51%	0.505	53%	0.527	S	S	.	.	S	Bend	trans	-166	146.2	-179.5	0	0	0	0	0	111.5	G772 D776	G772-G774 PolarHBondContact O-N 3.43Å; G774-D776 PolarHBondContact O-N 2.91Å
775	V	53.3	Low	63.5	Low	134 Å²	134	98.8 Å²	98.8	81%	0.812	53%	0.528	S	S	*	.			trans	-83.5	51.5	-167.7	-164.1	0	0	0	0	112.1	V777	V775-V777 PolarHBondContact O-N 2.94Å
776	D	56.1	Low	64.1	Low	92 Å²	92	96.9 Å²	96.9	49%	0.492	52%	0.518	S	S	.	.			trans	-85	81	175.1	-76.3	-29.6	0	0	0	110.2	G774 T778 R779 E780	G774-D776 PolarHBondContact O-N 2.91Å; D776-T778 PolarHBondContact O-N 3.05Å; D776-T778 VanDerWaalsContact O-N 3.09Å; D776-R779 HydrophobicContact CB-CB 3.59Å; D776-R779 WeakPolarHBondContact O-CA 3.4Å; D776-R779 VanDerWaalsContact O-CB 3.32Å; D776-R779 WeakPolarHBondContact O-CB 3.46Å; D776-R779 PolarHBondContact O-N 3Å; D776-E780 PolarHBondContact O-N 2.73Å
777	V	59.5	Low	65	Low	83 Å²	83	93.6 Å²	93.6	50%	0.503	51%	0.506	S	S	.	.	H	α-helix	trans	-51.3	-36.5	178.1	-179.4	0	0	0	0	111.9	V775 R779 E780 D781	V775-V777 PolarHBondContact O-N 2.94Å; V777-R779 VanDerWaalsContact C-N 3.31Å; V777-R779 PolarHBondContact O-N 3.36Å; V777-E780 PolarHBondContact O-N 2.8Å; V777-D781 WeakPolarHBondContact O-CB 3.41Å; V777-D781 PolarHBondContact O-N 2.78Å
778	T	65.3	Low	66.3	Low	113 Å²	113	92.1 Å²	92.1	69%	0.693	49%	0.488	S	S	*	.	H	α-helix	trans	-67.6	-27.2	176.6	52.9	0	0	0	0	113.7	D776 R782	D776-T778 PolarHBondContact O-N 3.05Å; D776-T778 VanDerWaalsContact O-N 3.09Å; T778-R782 WeakPolarHBondContact O-CB 3.3Å; T778-R782 PolarHBondContact O-N 3.42Å
779	R	70.3	Confident	67.9	Low	110 Å²	110	81 Å²	81	42%	0.415	45%	0.446	S	S	.	.	H	α-helix	trans	-81.5	-43.3	176.2	-169	177.8	-175.9	-148.6	-7.2	110.8	A769 D776 V777 R782 Q783	A769-R779 PolarHBondContact O-NH2 3.46Å; D776-R779 HydrophobicContact CB-CB 3.59Å; D776-R779 WeakPolarHBondContact O-CA 3.4Å; D776-R779 VanDerWaalsContact O-CB 3.32Å; D776-R779 WeakPolarHBondContact O-CB 3.46Å; D776-R779 PolarHBondContact O-N 3Å; V777-R779 VanDerWaalsContact C-N 3.31Å; V777-R779 PolarHBondContact O-N 3.36Å; R779-R782 PolarHBondContact O-N 3.44Å; R779-Q783 PolarHBondContact O-N 2.81Å
780	E	71.3	Confident	69.6	Low	102 Å²	102	81.3 Å²	81.3	48%	0.477	44%	0.44	S	S	.	.	H	α-helix	trans	-60.2	-44.8	172	-66.9	-175	-178.6	0	0	111.7	D776 V777 R782 Q783 R784	D776-E780 PolarHBondContact O-N 2.73Å; V777-E780 PolarHBondContact O-N 2.8Å; E780-R782 VanDerWaalsContact C-N 3.33Å; E780-R782 PolarHBondContact O-N 3.39Å; E780-Q783 PolarHBondContact O-N 2.86Å; E780-R784 WeakPolarHBondContact O-CB 3.39Å; E780-R784 PolarHBondContact O-N 3.15Å
781	D	77.4	Confident	71.3	Confident	53 Å²	53	85.8 Å²	85.8	28%	0.283	45%	0.446	S	S	.	.	H	α-helix	trans	-61.9	-38.9	175.6	-84.3	-11.4	0	0	0	112.1	V777 R784 K785	V777-D781 WeakPolarHBondContact O-CB 3.41Å; V777-D781 PolarHBondContact O-N 2.78Å; D781-R784 IonicContact OD1-CZ 2.74Å; D781-R784 IonicContact OD1-NH1 2.64Å; D781-R784 PolarHBondContact OD1-NH1 2.83Å; D781-R784 IonicContact OD1-NH2 3.18Å; D781-R784 PolarHBondContact OD1-NH2 3.48Å; D781-K785 VanDerWaalsContact O-CG 3.23Å; D781-K785 WeakPolarHBondContact O-CG 3.45Å; D781-K785 PolarHBondContact O-N 3.5Å
782	R	78.3	Confident	73.1	Confident	117 Å²	117	82.3 Å²	82.3	44%	0.442	42%	0.423	S	S	.	.	H	α-helix	trans	-65.1	-46.2	175.1	-179.3	175.8	174.2	146.6	1.4	111.4	L721 N764 T778 R779 E780 R784 K785 C786	L721-R782 HydrophobicContact CD2-CG 4.13Å; N764-R782 PolarHBondContact OD1-NE 3.37Å; T778-R782 WeakPolarHBondContact O-CB 3.3Å; T778-R782 PolarHBondContact O-N 3.42Å; R779-R782 PolarHBondContact O-N 3.44Å; E780-R782 VanDerWaalsContact C-N 3.33Å; E780-R782 PolarHBondContact O-N 3.39Å; R782-R784 PolarHBondContact O-N 3.12Å; R782-K785 PolarHBondContact O-N 3.46Å; R782-C786 PolarHBondContact O-N 3.04Å; R782-C786 PolarHBondContact O-SG 2.81Å
783	Q	81.1	Confident	74.9	Confident	83 Å²	83	80.1 Å²	80.1	39%	0.388	40%	0.401	S	S	.	.	H	α-helix	trans	-62.3	-42.2	177.4	-172.6	173.6	8	0	0	111.4	R779 E780 K785 C786 A787	R779-Q783 PolarHBondContact O-N 2.81Å; E780-Q783 PolarHBondContact O-N 2.86Å; Q783-K785 PolarHBondContact O-N 2.53Å; Q783-C786 PolarHBondContact O-N 3.27Å; Q783-A787 WeakPolarHBondContact O-CB 3.38Å; Q783-A787 PolarHBondContact O-N 2.95Å
784	R	82.7	Confident	76.6	Confident	143 Å²	143	74.2 Å²	74.2	54%	0.54	37%	0.37	S	S	.	.	H	α-helix	trans	-58.9	-44.9	175.2	-165.4	-173.9	-54.7	134	13	112	E780 D781 R782 A787 E788	E780-R784 WeakPolarHBondContact O-CB 3.39Å; E780-R784 PolarHBondContact O-N 3.15Å; D781-R784 IonicContact OD1-CZ 2.74Å; D781-R784 IonicContact OD1-NH1 2.64Å; D781-R784 PolarHBondContact OD1-NH1 2.83Å; D781-R784 IonicContact OD1-NH2 3.18Å; D781-R784 PolarHBondContact OD1-NH2 3.48Å; R782-R784 PolarHBondContact O-N 3.12Å; R784-A787 PolarHBondContact O-N 3.2Å; R784-E788 PolarHBondContact O-N 2.95Å; R784-E788 VanDerWaalsContact O-N 3.1Å
785	K	84.3	Confident	78.3	Confident	54 Å²	54	75.2 Å²	75.2	24%	0.235	36%	0.361	C	S	.	.	H	α-helix	trans	-65.6	-40.3	176.2	-69.2	171	-170.1	-171.2	0	112.2	L721 D722 M725 D781 R782 Q783 C789	L721-K785 HydrophobicContact CD2-CB 3.62Å; L721-K785 HydrophobicContact CD2-CD 4.33Å; L721-K785 HydrophobicContact CG-CB 3.87Å; D722-K785 WeakPolarHBondContact OD1-CE 3.49Å; D722-K785 IonicContact OD1-NZ 2.7Å; D722-K785 PolarHBondContact OD1-NZ 2.95Å; D722-K785 IonicContact OD2-NZ 3.56Å; D722-K785 PolarHBondContact OD2-NZ 3.12Å; M725-K785 HydrophobicContact SD-CG 3.96Å; D781-K785 VanDerWaalsContact O-CG 3.23Å; D781-K785 WeakPolarHBondContact O-CG 3.45Å; D781-K785 PolarHBondContact O-N 3.5Å; R782-K785 PolarHBondContact O-N 3.46Å; Q783-K785 PolarHBondContact O-N 2.53Å; K785-C789 PolarHBondContact O-N 3.02Å; K785-C789 PolarHBondContact O-SG 2.93Å
786	C	84.9	Confident	79.8	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63.7	-41.2	173.9	-72.1	0	0	0	0	112.5	I761 N764 L765 R782 Q783 C789 Q790	I761-C786 HydrophobicContact CG2-CB 4.32Å; N764-C786 HydrophobicContact CB-CB 4.36Å; L765-C786 HydrophobicContact CG-CB 4.4Å; R782-C786 PolarHBondContact O-N 3.04Å; R782-C786 PolarHBondContact O-SG 2.81Å; Q783-C786 PolarHBondContact O-N 3.27Å; C786-C789 PolarHBondContact O-N 3.38Å; C786-Q790 PolarHBondContact O-N 3.39Å
787	A	84.6	Confident	81.2	Confident	39 Å²	39	68.2 Å²	68.2	32%	0.322	32%	0.315	S	S	.	.	H	α-helix	trans	-64.6	-42.9	178.1	0	0	0	0	0	112.6	L765 Q783 R784 Q790 R791	L765-A787 HydrophobicContact CD2-CB 4.06Å; Q783-A787 WeakPolarHBondContact O-CB 3.38Å; Q783-A787 PolarHBondContact O-N 2.95Å; R784-A787 PolarHBondContact O-N 3.2Å; A787-Q790 PolarHBondContact O-N 3.39Å; A787-R791 WeakPolarHBondContact O-CB 3.44Å; A787-R791 PolarHBondContact O-N 3.17Å
788	E	85	Confident	82.3	Confident	67 Å²	67	70.3 Å²	70.3	31%	0.313	32%	0.324	S	S	.	.	H	α-helix	trans	-65.2	-40.5	172	-82.5	-67.1	136.8	0	0	111.6	R784 Q790 R791 W792	R784-E788 PolarHBondContact O-N 2.95Å; R784-E788 VanDerWaalsContact O-N 3.1Å; E788-Q790 VanDerWaalsContact C-N 3.34Å; E788-Q790 PolarHBondContact O-N 3.27Å; E788-R791 WeakPolarHBondContact O-CB 3.31Å; E788-R791 PolarHBondContact O-N 3.43Å; E788-R791 WeakPolarHBondContact OE1-CD 3.35Å; E788-R791 IonicContact OE1-CZ 2.67Å; E788-R791 IonicContact OE1-NH1 2.58Å; E788-R791 PolarHBondContact OE1-NH1 2.89Å; E788-W792 PolarHBondContact O-N 2.81Å; E788-W792 VanDerWaalsContact O-N 3.09Å; E788-W792 PolarHBondContact OE2-NE1 3.38Å
789	C	86.2	Confident	83	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.1	-42.4	173.8	-66.8	0	0	0	0	112.3	L728 I761 K785 C786 W792 L793	L728-C789 HydrophobicContact CD1-CB 3.85Å; I761-C789 HydrophobicContact CD1-CB 3.78Å; I761-C789 HydrophobicContact CG1-CB 4.32Å; K785-C789 PolarHBondContact O-N 3.02Å; K785-C789 PolarHBondContact O-SG 2.93Å; C786-C789 PolarHBondContact O-N 3.38Å; C789-W792 PolarHBondContact O-N 3.02Å; C789-L793 WeakPolarHBondContact O-CB 3.38Å; C789-L793 VanDerWaalsContact O-CG 3.27Å; C789-L793 WeakPolarHBondContact O-CG 3.29Å; C789-L793 PolarHBondContact O-N 3.14Å
790	Q	87.2	Confident	83	Confident	51 Å²	51	65.9 Å²	65.9	24%	0.238	31%	0.31	C	S	.	.	H	α-helix	trans	-60.7	-45.1	174.9	-173.7	-168	33.9	0	0	111.4	I761 L765 C786 A787 E788 W792 L793 L794 F818	I761-Q790 HydrophobicContact CG2-CB 4.24Å; L765-Q790 HydrophobicContact CD1-CB 3.83Å; L765-Q790 HydrophobicContact CD1-CG 4.06Å; C786-Q790 PolarHBondContact O-N 3.39Å; A787-Q790 PolarHBondContact O-N 3.39Å; E788-Q790 VanDerWaalsContact C-N 3.34Å; E788-Q790 PolarHBondContact O-N 3.27Å; Q790-W792 PolarHBondContact O-N 3.24Å; Q790-L793 PolarHBondContact O-N 2.79Å; Q790-L794 HydrophobicContact CG-CD1 4.08Å; Q790-L794 HydrophobicContact CG-CG 4.43Å; Q790-L794 WeakPolarHBondContact O-CG 2.98Å; Q790-L794 PolarHBondContact O-N 2.74Å; Q790-F818 HydrophobicContact CB-CE2 4.48Å; Q790-F818 HydrophobicContact CB-CZ 4.28Å; Q790-F818 HydrophobicContact CG-CD1 3.98Å; Q790-F818 HydrophobicContact CG-CD2 3.88Å; Q790-F818 HydrophobicContact CG-CE1 4.01Å; Q790-F818 HydrophobicContact CG-CE2 3.91Å; Q790-F818 HydrophobicContact CG-CG 3.92Å; Q790-F818 HydrophobicContact CG-CZ 3.97Å
791	R	88.8	Confident	82.6	Confident	145 Å²	145	66.9 Å²	66.9	55%	0.547	32%	0.315	S	S	.	.	H	α-helix	trans	-55.4	-50.2	177.7	-177.6	-173.6	-173.6	166.4	4.3	112	A787 E788 L794 Q795	A787-R791 WeakPolarHBondContact O-CB 3.44Å; A787-R791 PolarHBondContact O-N 3.17Å; E788-R791 WeakPolarHBondContact O-CB 3.31Å; E788-R791 PolarHBondContact O-N 3.43Å; E788-R791 WeakPolarHBondContact OE1-CD 3.35Å; E788-R791 IonicContact OE1-CZ 2.67Å; E788-R791 IonicContact OE1-NH1 2.58Å; E788-R791 PolarHBondContact OE1-NH1 2.89Å; R791-L794 PolarHBondContact O-N 2.78Å; R791-Q795 WeakPolarHBondContact O-CG 3.49Å; R791-Q795 PolarHBondContact O-N 2.78Å
792	W	88.6	Confident	81.6	Confident	61 Å²	61	66.3 Å²	66.3	23%	0.231	32%	0.315	C	S	.	.	H	α-helix	trans	-67.9	-36.3	178.6	-73.1	100.5	0	0	0	112.7	L728 P729 Y732 E788 C789 Q790 Q795 I796	L728-W792 HydrophobicContact CB-CB 3.83Å; L728-W792 HydrophobicContact CB-CG 4.38Å; L728-W792 HydrophobicContact CD1-CB 4.43Å; P729-W792 HydrophobicContact CB-CD2 4.32Å; P729-W792 HydrophobicContact CB-CE3 4.24Å; P729-W792 HydrophobicContact CB-CH2 4.03Å; P729-W792 HydrophobicContact CB-CZ2 4.11Å; P729-W792 HydrophobicContact CB-CZ3 4.09Å; P729-W792 HydrophobicContact CG-CD2 3.95Å; P729-W792 HydrophobicContact CG-CE3 4.37Å; P729-W792 HydrophobicContact CG-CG 4.37Å; P729-W792 HydrophobicContact CG-CH2 4.41Å; P729-W792 HydrophobicContact CG-CZ2 4.01Å; Y732-W792 HydrophobicContact CD1-CZ3 4.1Å; Y732-W792 HydrophobicContact CG-CE3 4.44Å; Y732-W792 HydrophobicContact CG-CZ3 4.26Å; E788-W792 PolarHBondContact O-N 2.81Å; E788-W792 VanDerWaalsContact O-N 3.09Å; E788-W792 PolarHBondContact OE2-NE1 3.38Å; C789-W792 PolarHBondContact O-N 3.02Å; Q790-W792 PolarHBondContact O-N 3.24Å; W792-Q795 PolarHBondContact O-N 3.11Å; W792-I796 WeakPolarHBondContact O-CG1 3.42Å; W792-I796 PolarHBondContact O-N 3.45Å
793	L	87.8	Confident	80.3	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-65	-38	173.7	-73.7	172.5	0	0	0	112.4	L728 L750 L754 I761 C789 Q790 I796 K797 I816 F818	L728-L793 HydrophobicContact CD1-CG 4.18Å; L728-L793 HydrophobicContact CD2-CD2 3.62Å; L728-L793 HydrophobicContact CD2-CG 4.06Å; L750-L793 HydrophobicContact CD1-CD2 3.71Å; L754-L793 HydrophobicContact CD2-CD1 4.34Å; L754-L793 HydrophobicContact CD2-CD2 3.9Å; I761-L793 HydrophobicContact CD1-CD1 4.15Å; C789-L793 WeakPolarHBondContact O-CB 3.38Å; C789-L793 VanDerWaalsContact O-CG 3.27Å; C789-L793 WeakPolarHBondContact O-CG 3.29Å; C789-L793 PolarHBondContact O-N 3.14Å; Q790-L793 PolarHBondContact O-N 2.79Å; L793-I796 PolarHBondContact O-N 3.06Å; L793-K797 WeakPolarHBondContact O-CB 3.41Å; L793-K797 PolarHBondContact O-N 3.19Å; L793-I816 HydrophobicContact CB-CG2 4.14Å; L793-I816 HydrophobicContact CD2-CD1 4.21Å; L793-I816 WeakPolarHBondContact O-CD1 3.49Å; L793-F818 HydrophobicContact CB-CE2 3.84Å; L793-F818 HydrophobicContact CD1-CE2 3.87Å; L793-F818 HydrophobicContact CD1-CZ 3.88Å
794	L	86.6	Confident	79.1	Confident	63 Å²	63	70.5 Å²	70.5	33%	0.33	35%	0.349	S	S	.	.	H	α-helix	trans	-67.3	-35.6	172.9	-71.3	171.9	0	0	0	112.2	Q790 R791 K797 N798 F818	Q790-L794 HydrophobicContact CG-CD1 4.08Å; Q790-L794 HydrophobicContact CG-CG 4.43Å; Q790-L794 WeakPolarHBondContact O-CG 2.98Å; Q790-L794 PolarHBondContact O-N 2.74Å; R791-L794 PolarHBondContact O-N 2.78Å; L794-K797 PolarHBondContact O-N 2.85Å; L794-N798 VanDerWaalsContact O-CG 3.28Å; L794-N798 PolarHBondContact O-N 2.92Å; L794-N798 VanDerWaalsContact O-N 3.11Å; L794-N798 PolarHBondContact O-ND2 2.97Å; L794-F818 HydrophobicContact CD2-CB 4.41Å; L794-F818 HydrophobicContact CD2-CD2 4.21Å; L794-F818 HydrophobicContact CG-CD2 4.35Å
795	Q	85.7	Confident	77.9	Confident	69 Å²	69	67.1 Å²	67.1	32%	0.322	34%	0.338	S	S	.	.	H	α-helix	trans	-66.1	-39.5	171.9	-70.9	173.8	-71.7	0	0	112	Y732 R791 W792 N798 L799	Y732-Q795 HydrophobicContact CD2-CB 4.25Å; Y732-Q795 HydrophobicContact CE2-CB 4.04Å; R791-Q795 WeakPolarHBondContact O-CG 3.49Å; R791-Q795 PolarHBondContact O-N 2.78Å; W792-Q795 PolarHBondContact O-N 3.11Å; Q795-N798 PolarHBondContact O-N 3.25Å; Q795-L799 PolarHBondContact O-N 3.07Å
796	I	85.2	Confident	76.6	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-66.4	-37	173.9	-69.8	165.1	0	0	0	111.5	L728 I731 Y732 L735 L750 W792 L793 N798 L799 Q813 I816	L728-I796 HydrophobicContact CD2-CD1 3.91Å; I731-I796 HydrophobicContact CB-CD1 4.45Å; I731-I796 HydrophobicContact CG2-CD1 3.9Å; Y732-I796 HydrophobicContact CD2-CG1 4.02Å; L735-I796 HydrophobicContact CD1-CG2 3.93Å; L750-I796 HydrophobicContact CD1-CD1 4.4Å; L750-I796 HydrophobicContact CD2-CG2 3.76Å; W792-I796 WeakPolarHBondContact O-CG1 3.42Å; W792-I796 PolarHBondContact O-N 3.45Å; L793-I796 PolarHBondContact O-N 3.06Å; I796-N798 VanDerWaalsContact C-N 3.27Å; I796-N798 PolarHBondContact O-N 3.37Å; I796-L799 PolarHBondContact O-N 2.76Å; I796-Q813 PolarHBondContact O-NE2 2.75Å; I796-I816 HydrophobicContact CG2-CD1 4.19Å
797	K	83.6	Confident	75.7	Confident	79 Å²	79	69.4 Å²	69.4	34%	0.343	36%	0.363	S	S	.	.	H	α-helix	trans	-62.3	-33.7	173.5	-172.1	177.2	-176.2	170	0	112.7	L793 L794 Q813 I816	L793-K797 WeakPolarHBondContact O-CB 3.41Å; L793-K797 PolarHBondContact O-N 3.19Å; L794-K797 PolarHBondContact O-N 2.85Å; K797-Q813 PolarHBondContact O-NE2 3.48Å; K797-I816 HydrophobicContact CB-CB 4.38Å; K797-I816 HydrophobicContact CB-CD1 4.26Å; K797-I816 HydrophobicContact CB-CG2 4.24Å; K797-I816 HydrophobicContact CD-CB 4.17Å; K797-I816 HydrophobicContact CD-CG2 4.11Å; K797-I816 WeakPolarHBondContact CD-O 3.49Å; K797-I816 WeakPolarHBondContact CE-O 3.47Å; K797-I816 HydrophobicContact CG-CB 4.47Å; K797-I816 PolarHBondContact NZ-O 2.9Å
798	N	83.1	Confident	75.2	Confident	128 Å²	128	70.1 Å²	70.1	68%	0.684	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	7.8	-178.4	-64.5	-15.5	0	0	0	113.9	L794 Q795 I796	L794-N798 VanDerWaalsContact O-CG 3.28Å; L794-N798 PolarHBondContact O-N 2.92Å; L794-N798 VanDerWaalsContact O-N 3.11Å; L794-N798 PolarHBondContact O-ND2 2.97Å; Q795-N798 PolarHBondContact O-N 3.25Å; I796-N798 VanDerWaalsContact C-N 3.27Å; I796-N798 PolarHBondContact O-N 3.37Å
799	L	80.9	Confident	74.9	Confident	17 Å²	17	67.1 Å²	67.1	9%	0.089	35%	0.35	C	S	.	.			trans	-66.4	132.3	171.6	-80.4	170	0	0	0	110.5	Y732 L735 Q736 Q795 I796 Q813	Y732-L799 HydrophobicContact CD2-CD1 3.95Å; Y732-L799 HydrophobicContact CD2-CD2 4.07Å; Y732-L799 HydrophobicContact CD2-CG 4.06Å; Y732-L799 HydrophobicContact CE2-CD1 4.2Å; Y732-L799 HydrophobicContact CE2-CD2 3.51Å; Y732-L799 HydrophobicContact CE2-CG 3.79Å; L735-L799 HydrophobicContact CB-CD1 4.03Å; L735-L799 HydrophobicContact CD1-CD1 3.85Å; Q736-L799 HydrophobicContact CG-CD2 4Å; Q795-L799 PolarHBondContact O-N 3.07Å; I796-L799 PolarHBondContact O-N 2.76Å; L799-Q813 PolarHBondContact O-NE2 2.82Å; L799-Q813 VanDerWaalsContact O-NE2 3.17Å
800	P	70.5	Confident	74.5	Confident	112 Å²	112	68.2 Å²	68.2	73%	0.727	36%	0.357	S	S	*	.			trans	-65.7	146.2	173.3	29.3	-34.7	0	0	0	110.6	S802	P800-S802 PolarHBondContact O-N 3.47Å; P800-S802 VanDerWaalsContact O-N 3.12Å
801	E	62.4	Low	74.1	Confident	123 Å²	123	72.1 Å²	72.1	58%	0.575	38%	0.375	S	S	*	.			trans	-64.2	114.8	-179.6	-64.3	-165.2	141.1	0	0	111.3	T803 S810	E801-T803 PolarHBondContact O-N 3.11Å; E801-S810 VanDerWaalsContact OE1-CB 3.29Å; E801-S810 WeakPolarHBondContact OE1-CB 3.42Å; E801-S810 PolarHBondContact OE1-OG 3.3Å
802	S	57	Low	73.8	Confident	41 Å²	41	65.5 Å²	65.5	29%	0.287	35%	0.351	S	S	.	.			trans	-64.4	119.5	173.5	61.5	0	0	0	0	109.9	P800 H804 F805 G806	P800-S802 PolarHBondContact O-N 3.47Å; P800-S802 VanDerWaalsContact O-N 3.12Å; S802-H804 PolarHBondContact O-N 2.77Å; S802-F805 PolarHBondContact O-N 2.96Å; S802-F805 VanDerWaalsContact O-N 3.12Å; S802-G806 PolarHBondContact O-N 3.22Å
803	T	51.3	Low	73.4	Confident	134 Å²	134	63.4 Å²	63.4	82%	0.822	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-22.7	-172.4	47.7	0	0	0	0	115.6	E801	E801-T803 PolarHBondContact O-N 3.11Å
804	H	54.2	Low	73.1	Confident	154 Å²	154	69.4 Å²	69.4	71%	0.713	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-24.9	-177.2	-64.5	-79.4	0	0	0	115.2	S802	S802-H804 PolarHBondContact O-N 2.77Å
805	F	58	Low	73	Confident	72 Å²	72	70.5 Å²	70.5	32%	0.316	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.6	13.4	-166.4	-57.1	-61.4	0	0	0	116.4	K740 F743 S802 S807	K740-F805 HydrophobicContact CB-CE1 4.48Å; K740-F805 HydrophobicContact CB-CE2 4.07Å; K740-F805 HydrophobicContact CB-CZ 3.8Å; K740-F805 HydrophobicContact CD-CE1 3.76Å; K740-F805 HydrophobicContact CD-CZ 3.8Å; K740-F805 HydrophobicContact CG-CE1 3.84Å; K740-F805 HydrophobicContact CG-CE2 4.21Å; K740-F805 HydrophobicContact CG-CZ 3.66Å; F743-F805 HydrophobicContact CD1-CB 3.87Å; F743-F805 HydrophobicContact CD1-CD2 4.49Å; F743-F805 HydrophobicContact CD1-CG 4.33Å; F743-F805 HydrophobicContact CE1-CB 3.45Å; F743-F805 VanDerWaalsContact CE1-CB 3.45Å; F743-F805 HydrophobicContact CE1-CG 4.38Å; F743-F805 HydrophobicContact CE2-CB 4.41Å; F743-F805 HydrophobicContact CZ-CB 3.75Å; S802-F805 PolarHBondContact O-N 2.96Å; S802-F805 VanDerWaalsContact O-N 3.12Å; F805-S807 PolarHBondContact O-N 3.08Å; F805-S807 VanDerWaalsContact O-N 3.15Å
806	G	57	Low	72.7	Confident	14 Å²	14	67.2 Å²	67.2	14%	0.144	37%	0.366	C	S	.	.	H	α-helix	trans	-48.6	-44.9	-166.3	0	0	0	0	0	117.4	S802 T808 L809 S810	S802-G806 PolarHBondContact O-N 3.22Å; G806-T808 VanDerWaalsContact C-N 3.27Å; G806-T808 PolarHBondContact O-N 2.66Å; G806-L809 WeakPolarHBondContact O-CA 3.19Å; G806-L809 WeakPolarHBondContact O-CB 3.23Å; G806-L809 PolarHBondContact O-N 3.28Å; G806-S810 PolarHBondContact O-N 3.24Å; G806-S810 PolarHBondContact O-OG 2.92Å
807	S	66.8	Low	72.1	Confident	89 Å²	89	72.5 Å²	72.5	62%	0.622	39%	0.393	S	S	*	.	H	α-helix	trans	-57.4	-26.9	-164.1	62	0	0	0	0	117	F805 Q811	F805-S807 PolarHBondContact O-N 3.08Å; F805-S807 VanDerWaalsContact O-N 3.15Å; S807-Q811 WeakPolarHBondContact O-CG 3.33Å
808	T	73.1	Confident	71.3	Confident	54 Å²	54	73.4 Å²	73.4	33%	0.331	40%	0.397	S	S	.	.	H	α-helix	trans	-80.7	-32.1	174.7	-55.5	0	0	0	0	111.9	C747 G806 L812	C747-T808 HydrophobicContact CB-CG2 4.31Å; G806-T808 VanDerWaalsContact C-N 3.27Å; G806-T808 PolarHBondContact O-N 2.66Å; T808-L812 WeakPolarHBondContact O-CG 3.44Å; T808-L812 PolarHBondContact O-N 3.41Å
809	L	79.1	Confident	70.7	Confident	4 Å²	4	70.7 Å²	70.7	2%	0.021	38%	0.382	C	S	.	.	H	α-helix	trans	-74.1	-44.2	178.1	179.7	59.4	0	0	0	110.8	L735 F743 G806 Q811 L812 Q813	L735-L809 HydrophobicContact CD1-CD1 4.01Å; L735-L809 HydrophobicContact CD2-CD1 4.1Å; F743-L809 HydrophobicContact CE2-CD2 4.3Å; F743-L809 HydrophobicContact CZ-CB 3.98Å; F743-L809 HydrophobicContact CZ-CD2 4.46Å; G806-L809 WeakPolarHBondContact O-CA 3.19Å; G806-L809 WeakPolarHBondContact O-CB 3.23Å; G806-L809 PolarHBondContact O-N 3.28Å; L809-Q811 PolarHBondContact O-N 2.78Å; L809-L812 CarbonylContact O-C 3.55Å; L809-L812 WeakPolarHBondContact O-CA 3.24Å; L809-L812 PolarHBondContact O-N 3.38Å; L809-Q813 HydrophobicContact CD1-CG 4.03Å; L809-Q813 HydrophobicContact CG-CG 4.09Å; L809-Q813 WeakPolarHBondContact O-CG 3.12Å; L809-Q813 PolarHBondContact O-N 3.14Å
810	S	76.9	Confident	70.2	Confident	22 Å²	22	73.5 Å²	73.5	15%	0.154	40%	0.398	C	S	.	.	H	α-helix	trans	-58.3	-36.8	178.4	-20.8	0	0	0	0	111.8	E801 G806 Q813 N814	E801-S810 VanDerWaalsContact OE1-CB 3.29Å; E801-S810 WeakPolarHBondContact OE1-CB 3.42Å; E801-S810 PolarHBondContact OE1-OG 3.3Å; G806-S810 PolarHBondContact O-N 3.24Å; G806-S810 PolarHBondContact O-OG 2.92Å; S810-Q813 PolarHBondContact O-N 2.61Å; S810-N814 WeakPolarHBondContact O-CB 3.34Å; S810-N814 PolarHBondContact O-N 3.38Å; S810-N814 PolarHBondContact O-ND2 2.93Å; S810-N814 VanDerWaalsContact O-ND2 3.15Å
811	Q	80.1	Confident	70.2	Confident	133 Å²	133	71.3 Å²	71.3	62%	0.621	38%	0.379	S	S	*	.	H	α-helix	trans	-62.3	-40.2	173	-73.8	178.2	7.2	0	0	112.8	S807 L809 I815	S807-Q811 WeakPolarHBondContact O-CG 3.33Å; L809-Q811 PolarHBondContact O-N 2.78Å; Q811-I815 WeakPolarHBondContact O-CG1 3.48Å
812	L	81.6	Confident	70.6	Confident	6 Å²	6	68.3 Å²	68.3	3%	0.031	37%	0.368	C	S	.	.	H	α-helix	trans	-74.7	-39.7	177.7	-65.5	171.8	0	0	0	111.6	C747 L750 R751 L754 T808 L809 N814 I815 I816	C747-L812 HydrophobicContact CB-CD1 3.89Å; C747-L812 WeakPolarHBondContact O-CD1 3.17Å; L750-L812 HydrophobicContact CB-CD1 4.47Å; L750-L812 HydrophobicContact CD2-CB 4.09Å; L750-L812 HydrophobicContact CD2-CD1 4.16Å; L750-L812 HydrophobicContact CG-CD1 4.49Å; R751-L812 HydrophobicContact CB-CD2 3.92Å; R751-L812 HydrophobicContact CG-CD2 3.96Å; L754-L812 HydrophobicContact CD1-CB 4.37Å; L754-L812 HydrophobicContact CD1-CD2 4.44Å; T808-L812 WeakPolarHBondContact O-CG 3.44Å; T808-L812 PolarHBondContact O-N 3.41Å; L809-L812 CarbonylContact O-C 3.55Å; L809-L812 WeakPolarHBondContact O-CA 3.24Å; L809-L812 PolarHBondContact O-N 3.38Å; L812-N814 VanDerWaalsContact C-N 3.29Å; L812-N814 PolarHBondContact O-N 3.03Å; L812-I815 WeakPolarHBondContact O-CB 3.34Å; L812-I815 PolarHBondContact O-N 2.87Å; L812-I816 PolarHBondContact O-N 2.87Å
813	Q	81.2	Confident	71.5	Confident	18 Å²	18	70 Å²	70	8%	0.084	37%	0.373	C	S	.	.	H	α-helix	trans	-61.7	-36.2	175.6	-69	175	-44.6	0	0	112	I796 K797 L799 L809 S810 I815 I816	I796-Q813 PolarHBondContact O-NE2 2.75Å; K797-Q813 PolarHBondContact O-NE2 3.48Å; L799-Q813 PolarHBondContact O-NE2 2.82Å; L799-Q813 VanDerWaalsContact O-NE2 3.17Å; L809-Q813 HydrophobicContact CD1-CG 4.03Å; L809-Q813 HydrophobicContact CG-CG 4.09Å; L809-Q813 WeakPolarHBondContact O-CG 3.12Å; L809-Q813 PolarHBondContact O-N 3.14Å; S810-Q813 PolarHBondContact O-N 2.61Å; Q813-I815 VanDerWaalsContact C-N 3.25Å; Q813-I815 PolarHBondContact O-N 3.26Å; Q813-I816 WeakPolarHBondContact O-CB 3.43Å; Q813-I816 PolarHBondContact O-N 3.41Å; Q813-I816 VanDerWaalsContact O-N 3.11Å
814	N	81.6	Confident	72.8	Confident	126 Å²	126	65.7 Å²	65.7	67%	0.674	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.5	173.8	-75.6	-27.1	0	0	0	113.9	S810 L812	S810-N814 WeakPolarHBondContact O-CB 3.34Å; S810-N814 PolarHBondContact O-N 3.38Å; S810-N814 PolarHBondContact O-ND2 2.93Å; S810-N814 VanDerWaalsContact O-ND2 3.15Å; L812-N814 VanDerWaalsContact C-N 3.29Å; L812-N814 PolarHBondContact O-N 3.03Å
815	I	83.6	Confident	74.2	Confident	85 Å²	85	59.4 Å²	59.4	44%	0.436	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-19.9	174.1	-65.2	166	0	0	0	111.1	L754 L758 Q811 L812 Q813 I817	L754-I815 HydrophobicContact CB-CG2 4.23Å; L754-I815 HydrophobicContact CD1-CB 4.38Å; L754-I815 HydrophobicContact CD1-CG2 4.26Å; L758-I815 HydrophobicContact CD2-CG2 4.17Å; L758-I815 WeakPolarHBondContact CD2-O 3.49Å; Q811-I815 WeakPolarHBondContact O-CG1 3.48Å; L812-I815 WeakPolarHBondContact O-CB 3.34Å; L812-I815 PolarHBondContact O-N 2.87Å; Q813-I815 VanDerWaalsContact C-N 3.25Å; Q813-I815 PolarHBondContact O-N 3.26Å; I815-I817 VanDerWaalsContact C-N 3.29Å; I815-I817 PolarHBondContact O-N 3.28Å
816	I	80.4	Confident	75.4	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.317	C	S	.	.			trans	-76.1	81.6	177.1	-52.9	179.7	0	0	0	109.5	L754 L793 I796 K797 L812 Q813 F818	L754-I816 HydrophobicContact CD1-CG1 3.99Å; L754-I816 HydrophobicContact CD2-CG1 3.88Å; L793-I816 HydrophobicContact CB-CG2 4.14Å; L793-I816 HydrophobicContact CD2-CD1 4.21Å; L793-I816 WeakPolarHBondContact O-CD1 3.49Å; I796-I816 HydrophobicContact CG2-CD1 4.19Å; K797-I816 HydrophobicContact CB-CB 4.38Å; K797-I816 HydrophobicContact CB-CD1 4.26Å; K797-I816 HydrophobicContact CB-CG2 4.24Å; K797-I816 HydrophobicContact CD-CB 4.17Å; K797-I816 HydrophobicContact CD-CG2 4.11Å; K797-I816 WeakPolarHBondContact CD-O 3.49Å; K797-I816 WeakPolarHBondContact CE-O 3.47Å; K797-I816 HydrophobicContact CG-CB 4.47Å; K797-I816 PolarHBondContact NZ-O 2.9Å; L812-I816 PolarHBondContact O-N 2.87Å; Q813-I816 WeakPolarHBondContact O-CB 3.43Å; Q813-I816 PolarHBondContact O-N 3.41Å; Q813-I816 VanDerWaalsContact O-N 3.11Å; I816-F818 HydrophobicContact CG2-CD2 3.77Å; I816-F818 HydrophobicContact CG2-CE2 3.84Å
817	I	72.8	Confident	76.9	Confident	111 Å²	111	62.2 Å²	62.2	57%	0.569	33%	0.331	S	S	*	.			trans	-102.2	121.9	173	-55.4	177.2	0	0	0	108.2	Q762 I815	Q762-I817 PolarHBondContact NE2-O 2.75Å; I815-I817 VanDerWaalsContact C-N 3.29Å; I815-I817 PolarHBondContact O-N 3.28Å
818	F	66	Low	77.8	Confident	98 Å²	98	59.7 Å²	59.7	43%	0.43	31%	0.305	S	S	.	.			trans	-146.2	0	174.7	-72.3	-62.3	0	0	0	107.3	L758 I761 Q762 Q790 L793 L794 I816	L758-F818 HydrophobicContact CD1-CE1 3.72Å; L758-F818 HydrophobicContact CD1-CE2 3.91Å; L758-F818 HydrophobicContact CD1-CZ 3.34Å; I761-F818 HydrophobicContact CB-CE1 4.49Å; I761-F818 HydrophobicContact CG2-CE1 3.76Å; I761-F818 HydrophobicContact CG2-CZ 3.81Å; Q762-F818 HydrophobicContact CG-CD1 3.94Å; Q762-F818 HydrophobicContact CG-CE1 3.75Å; Q790-F818 HydrophobicContact CB-CE2 4.48Å; Q790-F818 HydrophobicContact CB-CZ 4.28Å; Q790-F818 HydrophobicContact CG-CD1 3.98Å; Q790-F818 HydrophobicContact CG-CD2 3.88Å; Q790-F818 HydrophobicContact CG-CE1 4.01Å; Q790-F818 HydrophobicContact CG-CE2 3.91Å; Q790-F818 HydrophobicContact CG-CG 3.92Å; Q790-F818 HydrophobicContact CG-CZ 3.97Å; L793-F818 HydrophobicContact CB-CE2 3.84Å; L793-F818 HydrophobicContact CD1-CE2 3.87Å; L793-F818 HydrophobicContact CD1-CZ 3.88Å; L794-F818 HydrophobicContact CD2-CB 4.41Å; L794-F818 HydrophobicContact CD2-CD2 4.21Å; L794-F818 HydrophobicContact CG-CD2 4.35Å; I816-F818 HydrophobicContact CG2-CD2 3.77Å; I816-F818 HydrophobicContact CG2-CE2 3.84Å

Retrieved 818 of 818 residues in 149.1 ms (Link to these results)

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