A0A5K4F900_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A5K4F900, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 972 aa.

						>A0A5K4F900_SCHMA|A0A5K4F900
MTVDSAVTIIPILQQKCDTLKSKIADFTLVNQALQLKTYQLLNFINRHEDFSGLITKEYDEVSNDINIVQSAIDRYTCELEDWKSKLDQYTMMVTTVLNNSSNGTTNGSNVNNLSNNNNGDDSINLTLGSTKLPIVASSQSPSLPSVLLSSTNSPIQLDNSSSLGTLQSVNNTSSEFKLTHPTTTKLRLRAHFPNSQFTLVEIKSGQQIKHALEKKLSHRGLHLEQLIVYRSRTGLPVSWEDDAEQIALIGEELIVDFARRNIKRLEHHFQRKTFFEKAYCNLCHKSIFHGAICKACGCAYHNRCLPRVDKNCLSNLDDDVFYVGDQLSSRNSLGTSNSSIHGSNWLVSSNATPGYTHFYHFNPEDLTTVRVLTNSTGGGYDSNNLLLHSQYLPASFGSGGGHFPRQCLSLTCRERSSSTPNVSNNLIPPNQQRSLFTPSSLGKREANKIIQGSPLHIVYPVTNYNYTTGNGVPESPSIPSDSCFLSNPSIPYNQRSGGDPKQSIKVKNRRGSNDEWEINGQEITKGPRIGSGSFGTVFKGYWHGNVAIKELNVVDPTPQQLKAFKNEVSVLRKTRHENILLFMGCVSKPCIAIITQWCEGSSLYKHLHVLEHRFDVPELVDIAKQTSQGMDYLHAKNIIHRDLKSSNIFLHDRTVKIGDFGLATVKSRWWNTGCQQPTGSIFWMAPEVIRMEGETPYTNLSDVYAYGVVIYELITGQLPYSHYNNRDQILFLVGRGLLKPDLTVCRADIPHQLQRLSLDCCSFQRENRPPFSQIYPCLDSLYRSLPKLHKCSSEPNINGVISRGNVTIGSSNNERLIMDEFNDKRIITNKSATVTTNYLSLSPKTPFNNNNHNNSSNELFFTNRKLTDTTTNMTSHSSSNIDKQSTNTTIIIDHSSSSSSSPLHLSDDTTTTTTTTTNNNNNTNNNDTEEHVDRTLSSSIIHVTSSCSSSPPSPSSIVNERTILIVDSKIV
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.5	Very low	70.2	Confident	116 Å²	116	70 Å²	70	57%	0.571	41%	0.405	S	S	*	.				0	138.3	0	-77.3	-175.4	69.8	0	0	107.9	S5 A6 I9 Y90 M93	M1-S5 WeakPolarHBondContact CB-OG 3.31Å; M1-S5 WeakPolarHBondContact CE-OG 3.09Å; M1-A6 HydrophobicContact CE-CB 3.97Å; M1-I9 HydrophobicContact CE-CD1 3.97Å; M1-Y90 HydrophobicContact CE-CD1 3.83Å; M1-Y90 HydrophobicContact CE-CE1 3.59Å; M1-Y90 HydrophobicContact SD-CD1 4.1Å; M1-Y90 HydrophobicContact SD-CE1 3.7Å; M1-M93 HydrophobicContact CG-CE 4.39Å; M1-M93 HydrophobicContact SD-CE 3.97Å
2	T	57.5	Low	71.6	Confident	85 Å²	85	71.3 Å²	71.3	52%	0.521	41%	0.408	S	S	.	.			trans	-79.1	162.4	164	66.8	0	0	0	0	109.3	D4 S5	T2-D4 VanDerWaalsContact C-N 3.25Å; T2-D4 WeakPolarHBondContact CB-OD2 3.44Å; T2-D4 PolarHBondContact O-N 3.3Å; T2-D4 PolarHBondContact OG1-OD2 3.46Å; T2-S5 PolarHBondContact N-OG 2.68Å; T2-S5 PolarHBondContact O-N 2.97Å; T2-S5 PolarHBondContact O-OG 3.38Å; T2-S5 PolarHBondContact OG1-N 3.25Å
3	V	61.7	Low	72.9	Confident	60 Å²	60	66.7 Å²	66.7	36%	0.364	38%	0.381	S	S	.	.	H	α-helix	trans	-59.6	-40.9	176.4	-179.3	0	0	0	0	110.3	S5 A6 V7 V97	V3-S5 VanDerWaalsContact C-N 3.3Å; V3-S5 PolarHBondContact O-N 3.4Å; V3-A6 PolarHBondContact O-N 3.44Å; V3-V7 HydrophobicContact CG1-CG2 4.3Å; V3-V7 WeakPolarHBondContact O-CG2 3.4Å; V3-V7 PolarHBondContact O-N 3.09Å; V3-V97 HydrophobicContact CG2-CG1 3.83Å
4	D	60.9	Low	74.2	Confident	109 Å²	109	67.2 Å²	67.2	58%	0.583	38%	0.379	S	S	*	.	H	α-helix	trans	-56.4	-40	177.6	-16.8	-73.9	0	0	0	112.7	T2 A6 V7 T8	T2-D4 VanDerWaalsContact C-N 3.25Å; T2-D4 WeakPolarHBondContact CB-OD2 3.44Å; T2-D4 PolarHBondContact O-N 3.3Å; T2-D4 PolarHBondContact OG1-OD2 3.46Å; D4-A6 VanDerWaalsContact C-N 3.26Å; D4-A6 PolarHBondContact O-N 3.49Å; D4-V7 PolarHBondContact O-N 2.68Å; D4-T8 PolarHBondContact O-N 3.29Å; D4-T8 VanDerWaalsContact O-N 3.08Å; D4-T8 PolarHBondContact O-OG1 3.03Å
5	S	68.9	Low	75.3	Confident	35 Å²	35	71.7 Å²	71.7	25%	0.245	40%	0.395	C	S	.	.	H	α-helix	trans	-64.8	-30.7	176.8	68.3	0	0	0	0	112.5	M1 T2 V3 I9	M1-S5 WeakPolarHBondContact CB-OG 3.31Å; M1-S5 WeakPolarHBondContact CE-OG 3.09Å; T2-S5 PolarHBondContact N-OG 2.68Å; T2-S5 PolarHBondContact O-N 2.97Å; T2-S5 PolarHBondContact O-OG 3.38Å; T2-S5 PolarHBondContact OG1-N 3.25Å; V3-S5 VanDerWaalsContact C-N 3.3Å; V3-S5 PolarHBondContact O-N 3.4Å; S5-I9 WeakPolarHBondContact O-CD1 3.07Å; S5-I9 WeakPolarHBondContact O-CG1 3.39Å; S5-I9 PolarHBondContact O-N 3.06Å
6	A	66.6	Low	76.3	Confident	4 Å²	4	73.1 Å²	73.1	3%	0.033	40%	0.396	C	S	.	.	H	α-helix	trans	-82.3	-36.5	176.1	0	0	0	0	0	112.9	M1 V3 D4 T8 I9 I10 V94	M1-A6 HydrophobicContact CE-CB 3.97Å; V3-A6 PolarHBondContact O-N 3.44Å; D4-A6 VanDerWaalsContact C-N 3.26Å; D4-A6 PolarHBondContact O-N 3.49Å; A6-T8 PolarHBondContact O-N 3.18Å; A6-I9 PolarHBondContact O-N 2.88Å; A6-I9 VanDerWaalsContact O-N 3.11Å; A6-I10 HydrophobicContact CB-CD1 4.49Å; A6-I10 WeakPolarHBondContact O-CB 3.21Å; A6-I10 WeakPolarHBondContact O-CG1 3.39Å; A6-I10 PolarHBondContact O-N 3.32Å; A6-V94 HydrophobicContact CB-CG2 3.22Å
7	V	70.2	Confident	77.3	Confident	98 Å²	98	68.9 Å²	68.9	59%	0.594	37%	0.373	S	S	*	.	H	α-helix	trans	-55.8	-33.9	170.2	172.8	0	0	0	0	111.1	V3 D4 P11	V3-V7 HydrophobicContact CG1-CG2 4.3Å; V3-V7 WeakPolarHBondContact O-CG2 3.4Å; V3-V7 PolarHBondContact O-N 3.09Å; D4-V7 PolarHBondContact O-N 2.68Å; V7-P11 WeakPolarHBondContact O-CD 3.36Å; V7-P11 WeakPolarHBondContact O-CG 3.48Å
8	T	78.9	Confident	78.1	Confident	91 Å²	91	68.5 Å²	68.5	56%	0.558	37%	0.371	S	S	*	.	H	α-helix	trans	-77.1	-38.6	175.8	-49.9	0	0	0	0	112.9	D4 A6 I12	D4-T8 PolarHBondContact O-N 3.29Å; D4-T8 VanDerWaalsContact O-N 3.08Å; D4-T8 PolarHBondContact O-OG1 3.03Å; A6-T8 PolarHBondContact O-N 3.18Å; T8-I12 WeakPolarHBondContact O-CD1 3.26Å; T8-I12 WeakPolarHBondContact O-CG1 3.49Å
9	I	84	Confident	78.9	Confident	52 Å²	52	68.6 Å²	68.6	27%	0.267	38%	0.375	S	S	.	.	H	α-helix	trans	-85.7	-37.1	-170.7	-68.9	169.1	0	0	0	113.1	M1 S5 A6 I12 L13 Y90	M1-I9 HydrophobicContact CE-CD1 3.97Å; S5-I9 WeakPolarHBondContact O-CD1 3.07Å; S5-I9 WeakPolarHBondContact O-CG1 3.39Å; S5-I9 PolarHBondContact O-N 3.06Å; A6-I9 PolarHBondContact O-N 2.88Å; A6-I9 VanDerWaalsContact O-N 3.11Å; I9-I12 PolarHBondContact O-N 3.17Å; I9-I12 VanDerWaalsContact O-N 3.11Å; I9-L13 HydrophobicContact CG2-CD1 3.72Å; I9-L13 HydrophobicContact CG2-CG 3.91Å; I9-L13 WeakPolarHBondContact O-CG 3.35Å; I9-L13 PolarHBondContact O-N 3.32Å; I9-Y90 HydrophobicContact CB-CD1 4.27Å; I9-Y90 HydrophobicContact CB-CE1 4.24Å; I9-Y90 HydrophobicContact CD1-CE1 3.87Å; I9-Y90 HydrophobicContact CG2-CD1 3.67Å; I9-Y90 HydrophobicContact CG2-CE1 3.58Å; I9-Y90 HydrophobicContact CG2-CG 4.48Å
10	I	87.1	Confident	79.5	Confident	44 Å²	44	65.8 Å²	65.8	23%	0.226	36%	0.359	C	S	.	.	H	α-helix	trans	-58.1	-46.2	-177.3	-73.7	172.3	0	0	0	112.3	A6 I12 L13 Q14 L87 V94	A6-I10 HydrophobicContact CB-CD1 4.49Å; A6-I10 WeakPolarHBondContact O-CB 3.21Å; A6-I10 WeakPolarHBondContact O-CG1 3.39Å; A6-I10 PolarHBondContact O-N 3.32Å; I10-I12 VanDerWaalsContact C-N 3.3Å; I10-I12 PolarHBondContact O-N 2.95Å; I10-L13 PolarHBondContact O-N 3.25Å; I10-Q14 WeakPolarHBondContact O-CB 3.35Å; I10-Q14 PolarHBondContact O-N 2.9Å; I10-L87 HydrophobicContact CG2-CD1 4Å; I10-V94 HydrophobicContact CD1-CG2 3.82Å
11	P	87.8	Confident	80.2	Confident	76 Å²	76	67.1 Å²	67.1	49%	0.494	36%	0.361	S	S	.	.	H	α-helix	trans	-61	-34.7	175.1	-25.5	36	0	0	0	114	V7 Q14 Q15	V7-P11 WeakPolarHBondContact O-CD 3.36Å; V7-P11 WeakPolarHBondContact O-CG 3.48Å; P11-Q14 PolarHBondContact O-N 3.03Å; P11-Q15 WeakPolarHBondContact O-CB 3.48Å; P11-Q15 PolarHBondContact O-N 3.24Å
12	I	87	Confident	82.2	Confident	86 Å²	86	64.6 Å²	64.6	44%	0.441	36%	0.355	S	S	.	.	H	α-helix	trans	-71.2	-39.4	178.8	-60.6	171.4	0	0	0	110.7	T8 I9 I10 K16	T8-I12 WeakPolarHBondContact O-CD1 3.26Å; T8-I12 WeakPolarHBondContact O-CG1 3.49Å; I9-I12 PolarHBondContact O-N 3.17Å; I9-I12 VanDerWaalsContact O-N 3.11Å; I10-I12 VanDerWaalsContact C-N 3.3Å; I10-I12 PolarHBondContact O-N 2.95Å; I12-K16 PolarHBondContact O-N 2.96Å; I12-K16 VanDerWaalsContact O-N 3.15Å
13	L	88.8	Confident	83.8	Confident	11 Å²	11	64.7 Å²	64.7	6%	0.058	35%	0.348	C	S	.	.	H	α-helix	trans	-65.6	-43.3	173.4	-67.6	175.6	0	0	0	111.1	I9 I10 K16 C17 W83 K86 L87 Y90	I9-L13 HydrophobicContact CG2-CD1 3.72Å; I9-L13 HydrophobicContact CG2-CG 3.91Å; I9-L13 WeakPolarHBondContact O-CG 3.35Å; I9-L13 PolarHBondContact O-N 3.32Å; I10-L13 PolarHBondContact O-N 3.25Å; L13-K16 PolarHBondContact O-N 3.36Å; L13-C17 PolarHBondContact O-N 3.03Å; L13-C17 PolarHBondContact O-SG 3.21Å; L13-C17 VanDerWaalsContact O-SG 3.42Å; L13-W83 HydrophobicContact CD2-CE3 3.64Å; L13-W83 HydrophobicContact CD2-CZ3 3.74Å; L13-K86 HydrophobicContact CD2-CB 4.44Å; L13-L87 HydrophobicContact CB-CB 4.33Å; L13-L87 HydrophobicContact CB-CD1 3.99Å; L13-Y90 HydrophobicContact CD1-CD1 4.43Å; L13-Y90 HydrophobicContact CD1-CD2 4.12Å; L13-Y90 HydrophobicContact CD1-CG 3.98Å
14	Q	90.5	Very high	85.1	Confident	74 Å²	74	63.2 Å²	63.2	35%	0.346	34%	0.338	S	S	.	.	H	α-helix	trans	-58.9	-50.6	175.1	-175.9	62.3	43.3	0	0	111.4	I10 P11 K16 C17 D18	I10-Q14 WeakPolarHBondContact O-CB 3.35Å; I10-Q14 PolarHBondContact O-N 2.9Å; P11-Q14 PolarHBondContact O-N 3.03Å; Q14-K16 VanDerWaalsContact C-N 3.28Å; Q14-K16 PolarHBondContact O-N 2.96Å; Q14-C17 WeakPolarHBondContact O-CB 3.34Å; Q14-C17 PolarHBondContact O-N 3.08Å; Q14-D18 WeakPolarHBondContact CG-OD2 3.46Å; Q14-D18 VanDerWaalsContact NE2-CG 3.32Å; Q14-D18 PolarHBondContact NE2-OD1 2.99Å; Q14-D18 PolarHBondContact NE2-OD2 3.43Å; Q14-D18 PolarHBondContact O-N 3.1Å
15	Q	91.7	Very high	86.6	Confident	135 Å²	135	60.4 Å²	60.4	63%	0.631	33%	0.33	S	S	*	.	H	α-helix	trans	-56.7	-39.3	177.8	-171.7	-176.2	19.1	0	0	112.4	P11 T19	P11-Q15 WeakPolarHBondContact O-CB 3.48Å; P11-Q15 PolarHBondContact O-N 3.24Å; Q15-T19 WeakPolarHBondContact O-CB 3.49Å; Q15-T19 PolarHBondContact O-N 3.39Å; Q15-T19 PolarHBondContact O-OG1 3.39Å
16	K	90.6	Very high	87.5	Confident	93 Å²	93	62.5 Å²	62.5	40%	0.404	34%	0.338	S	S	.	.	H	α-helix	trans	-66.4	-45.4	174	-77.3	-169.6	173.9	-165.4	0	112.5	I12 L13 Q14 D18 T19 L20 W83	I12-K16 PolarHBondContact O-N 2.96Å; I12-K16 VanDerWaalsContact O-N 3.15Å; L13-K16 PolarHBondContact O-N 3.36Å; Q14-K16 VanDerWaalsContact C-N 3.28Å; Q14-K16 PolarHBondContact O-N 2.96Å; K16-D18 VanDerWaalsContact C-N 3.29Å; K16-D18 PolarHBondContact O-N 3.29Å; K16-T19 PolarHBondContact O-N 2.67Å; K16-L20 PolarHBondContact O-N 3.24Å; K16-W83 HydrophobicContact CD-CD2 4.16Å; K16-W83 HydrophobicContact CD-CE3 4.19Å; K16-W83 HydrophobicContact CD-CH2 4.05Å; K16-W83 HydrophobicContact CD-CZ2 3.96Å; K16-W83 HydrophobicContact CD-CZ3 4.14Å
17	C	93.2	Very high	88.6	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.014	35%	0.35	C	S	.	.	H	α-helix	trans	-57.3	-43.9	175	-74	0	0	0	0	111.4	L13 Q14 L20 K21 L80	L13-C17 PolarHBondContact O-N 3.03Å; L13-C17 PolarHBondContact O-SG 3.21Å; L13-C17 VanDerWaalsContact O-SG 3.42Å; Q14-C17 WeakPolarHBondContact O-CB 3.34Å; Q14-C17 PolarHBondContact O-N 3.08Å; C17-L20 PolarHBondContact O-N 3.45Å; C17-K21 WeakPolarHBondContact O-CG 3.47Å; C17-K21 PolarHBondContact O-N 3.16Å; C17-L80 HydrophobicContact CB-CD1 3.9Å; C17-L80 WeakPolarHBondContact O-CD1 3.3Å
18	D	92.4	Very high	89.6	Confident	62 Å²	62	63 Å²	63	33%	0.332	34%	0.336	S	S	.	.	H	α-helix	trans	-72.8	-35.8	-179	-63	-32.9	0	0	0	112.6	Q14 K16 L20 K21 S22	Q14-D18 WeakPolarHBondContact CG-OD2 3.46Å; Q14-D18 VanDerWaalsContact NE2-CG 3.32Å; Q14-D18 PolarHBondContact NE2-OD1 2.99Å; Q14-D18 PolarHBondContact NE2-OD2 3.43Å; Q14-D18 PolarHBondContact O-N 3.1Å; K16-D18 VanDerWaalsContact C-N 3.29Å; K16-D18 PolarHBondContact O-N 3.29Å; D18-L20 VanDerWaalsContact C-N 3.29Å; D18-L20 PolarHBondContact O-N 2.94Å; D18-K21 PolarHBondContact O-N 2.93Å; D18-K21 WeakPolarHBondContact OD1-CD 3.34Å; D18-K21 VanDerWaalsContact OD1-CE 3.27Å; D18-K21 WeakPolarHBondContact OD1-CE 3.45Å; D18-K21 IonicContact OD1-NZ 2.77Å; D18-K21 PolarHBondContact OD1-NZ 3.26Å; D18-S22 PolarHBondContact O-N 2.98Å
19	T	92.3	Very high	90.1	Very high	71 Å²	71	63.9 Å²	63.9	44%	0.436	34%	0.336	S	S	.	.	H	α-helix	trans	-59.6	-39.9	170.1	-56.2	0	0	0	0	111.6	Q15 K16 K23	Q15-T19 WeakPolarHBondContact O-CB 3.49Å; Q15-T19 PolarHBondContact O-N 3.39Å; Q15-T19 PolarHBondContact O-OG1 3.39Å; K16-T19 PolarHBondContact O-N 2.67Å; T19-K23 PolarHBondContact O-N 2.88Å
20	L	91.8	Very high	90.4	Very high	11 Å²	11	64.2 Å²	64.2	6%	0.058	34%	0.341	C	S	.	.	H	α-helix	trans	-72.7	-37.3	176.5	-77.6	165.2	0	0	0	112.5	K16 C17 D18 S22 K23 I24 Y76 E79 L80 W83	K16-L20 PolarHBondContact O-N 3.24Å; C17-L20 PolarHBondContact O-N 3.45Å; D18-L20 VanDerWaalsContact C-N 3.29Å; D18-L20 PolarHBondContact O-N 2.94Å; L20-S22 VanDerWaalsContact C-N 3.34Å; L20-S22 PolarHBondContact O-N 3.11Å; L20-K23 PolarHBondContact O-N 3.34Å; L20-I24 WeakPolarHBondContact O-CD1 3.35Å; L20-I24 VanDerWaalsContact O-CG1 3.27Å; L20-I24 WeakPolarHBondContact O-CG1 3.35Å; L20-I24 PolarHBondContact O-N 3.14Å; L20-Y76 HydrophobicContact CD2-CD1 3.8Å; L20-Y76 HydrophobicContact CD2-CG 4.31Å; L20-E79 HydrophobicContact CD1-CB 4.14Å; L20-E79 HydrophobicContact CD1-CG 4.18Å; L20-E79 HydrophobicContact CD2-CB 4.34Å; L20-L80 HydrophobicContact CB-CB 4.23Å; L20-L80 HydrophobicContact CB-CD1 4.14Å; L20-W83 VanDerWaalsContact CD1-CD1 3.43Å; L20-W83 HydrophobicContact CD1-CG 4.36Å
21	K	93	Very high	90.5	Very high	94 Å²	94	62.6 Å²	62.6	41%	0.409	33%	0.333	S	S	.	.	H	α-helix	trans	-57.2	-46.8	170.8	-70.3	173	-166.1	167.6	0	111.3	C17 D18 I24 A25 L80	C17-K21 WeakPolarHBondContact O-CG 3.47Å; C17-K21 PolarHBondContact O-N 3.16Å; D18-K21 PolarHBondContact O-N 2.93Å; D18-K21 WeakPolarHBondContact OD1-CD 3.34Å; D18-K21 VanDerWaalsContact OD1-CE 3.27Å; D18-K21 WeakPolarHBondContact OD1-CE 3.45Å; D18-K21 IonicContact OD1-NZ 2.77Å; D18-K21 PolarHBondContact OD1-NZ 3.26Å; K21-I24 PolarHBondContact O-N 3.41Å; K21-A25 PolarHBondContact O-N 2.97Å; K21-L80 HydrophobicContact CG-CD1 4.46Å; K21-L80 HydrophobicContact CG-CD2 3.97Å
22	S	91.4	Very high	90.6	Very high	64 Å²	64	63.9 Å²	63.9	45%	0.448	33%	0.332	S	S	.	.	H	α-helix	trans	-55.8	-54.6	177	-167.2	0	0	0	0	110.5	D18 L20 I24 A25 D26	D18-S22 PolarHBondContact O-N 2.98Å; L20-S22 VanDerWaalsContact C-N 3.34Å; L20-S22 PolarHBondContact O-N 3.11Å; S22-I24 VanDerWaalsContact C-N 3.28Å; S22-I24 PolarHBondContact O-N 3.25Å; S22-A25 CarbonylContact O-C 3.49Å; S22-A25 WeakPolarHBondContact O-CA 3.5Å; S22-A25 WeakPolarHBondContact O-CB 3.41Å; S22-A25 PolarHBondContact O-N 2.89Å; S22-D26 VanDerWaalsContact C-OD2 3.26Å; S22-D26 PolarHBondContact O-N 3.34Å
23	K	90	Very high	90.7	Very high	87 Å²	87	61.8 Å²	61.8	38%	0.378	33%	0.328	S	S	.	.	H	α-helix	trans	-57.2	-38.4	178.7	-72.5	-178.1	175.8	-174.7	0	113.6	T19 L20 D26 F27 Y76	T19-K23 PolarHBondContact O-N 2.88Å; L20-K23 PolarHBondContact O-N 3.34Å; K23-D26 WeakPolarHBondContact CA-OD2 3.45Å; K23-D26 PolarHBondContact N-OD2 3.34Å; K23-D26 PolarHBondContact O-N 2.83Å; K23-F27 WeakPolarHBondContact O-CB 3.43Å; K23-F27 VanDerWaalsContact O-CD2 3.27Å; K23-F27 WeakPolarHBondContact O-CD2 3.41Å; K23-F27 PolarHBondContact O-N 3.11Å; K23-Y76 HydrophobicContact CB-CD2 4.29Å; K23-Y76 HydrophobicContact CB-CE2 4.42Å; K23-Y76 HydrophobicContact CD-CE1 4.34Å
24	I	91	Very high	90.7	Very high	29 Å²	29	61.9 Å²	61.9	15%	0.149	33%	0.328	C	S	.	.	H	α-helix	trans	-65.7	-41.1	175.9	-68.8	162.6	0	0	0	110.5	L20 K21 S22 T28 I73 L80	L20-I24 WeakPolarHBondContact O-CD1 3.35Å; L20-I24 VanDerWaalsContact O-CG1 3.27Å; L20-I24 WeakPolarHBondContact O-CG1 3.35Å; L20-I24 PolarHBondContact O-N 3.14Å; K21-I24 PolarHBondContact O-N 3.41Å; S22-I24 VanDerWaalsContact C-N 3.28Å; S22-I24 PolarHBondContact O-N 3.25Å; I24-T28 VanDerWaalsContact O-CB 3.24Å; I24-T28 WeakPolarHBondContact O-CB 3.41Å; I24-T28 PolarHBondContact O-N 3.47Å; I24-T28 PolarHBondContact O-OG1 2.91Å; I24-I73 HydrophobicContact CG2-CG2 4.5Å; I24-L80 HydrophobicContact CD1-CB 4.13Å; I24-L80 HydrophobicContact CD1-CD2 3.66Å
25	A	91.2	Very high	90.5	Very high	49 Å²	49	62.9 Å²	62.9	41%	0.405	33%	0.333	S	S	.	.	H	α-helix	trans	-64	-47.1	174.2	0	0	0	0	0	111.9	K21 S22 F27 T28 L29	K21-A25 PolarHBondContact O-N 2.97Å; S22-A25 CarbonylContact O-C 3.49Å; S22-A25 WeakPolarHBondContact O-CA 3.5Å; S22-A25 WeakPolarHBondContact O-CB 3.41Å; S22-A25 PolarHBondContact O-N 2.89Å; A25-F27 PolarHBondContact O-N 2.89Å; A25-T28 WeakPolarHBondContact O-CB 3.39Å; A25-T28 PolarHBondContact O-N 2.77Å; A25-T28 VanDerWaalsContact O-N 3.09Å; A25-L29 WeakPolarHBondContact O-CG 3.39Å; A25-L29 PolarHBondContact O-N 3.27Å
26	D	87.8	Confident	90.2	Very high	79 Å²	79	61.5 Å²	61.5	42%	0.422	33%	0.329	S	S	.	.	H	α-helix	trans	-56.3	-51.6	178.3	-56.4	-37.9	0	0	0	111.2	S22 K23 T28 L29 V30	S22-D26 VanDerWaalsContact C-OD2 3.26Å; S22-D26 PolarHBondContact O-N 3.34Å; K23-D26 WeakPolarHBondContact CA-OD2 3.45Å; K23-D26 PolarHBondContact N-OD2 3.34Å; K23-D26 PolarHBondContact O-N 2.83Å; D26-T28 VanDerWaalsContact C-N 3.31Å; D26-T28 PolarHBondContact O-N 3.45Å; D26-L29 PolarHBondContact O-N 2.79Å; D26-V30 WeakPolarHBondContact O-CG2 3.25Å; D26-V30 PolarHBondContact O-N 3.33Å; D26-V30 VanDerWaalsContact O-N 3.14Å
27	F	90.6	Very high	90.1	Very high	65 Å²	65	59.8 Å²	59.8	29%	0.285	32%	0.322	S	S	.	.	H	α-helix	trans	-68.1	-29.1	177.3	-83	-105.4	0	0	0	112.5	K23 A25 V30 N31 V69 A72 I73 Y76	K23-F27 WeakPolarHBondContact O-CB 3.43Å; K23-F27 VanDerWaalsContact O-CD2 3.27Å; K23-F27 WeakPolarHBondContact O-CD2 3.41Å; K23-F27 PolarHBondContact O-N 3.11Å; A25-F27 PolarHBondContact O-N 2.89Å; F27-V30 PolarHBondContact O-N 3.4Å; F27-N31 WeakPolarHBondContact O-CB 3.45Å; F27-N31 PolarHBondContact O-N 3.46Å; F27-V69 HydrophobicContact CB-CG1 4.44Å; F27-V69 HydrophobicContact CD1-CG1 4.25Å; F27-V69 VanDerWaalsContact O-CG1 3.26Å; F27-V69 WeakPolarHBondContact O-CG1 3.27Å; F27-A72 HydrophobicContact CD1-CB 3.59Å; F27-A72 HydrophobicContact CE1-CB 3.52Å; F27-A72 HydrophobicContact CZ-CB 4.39Å; F27-I73 HydrophobicContact CB-CD1 4.31Å; F27-I73 HydrophobicContact CB-CG1 3.68Å; F27-Y76 HydrophobicContact CD2-CE2 4.12Å; F27-Y76 AromaticContact CE2-CE2 3.86Å; F27-Y76 HydrophobicContact CE2-CE2 3.86Å; F27-Y76 HydrophobicContact CZ-CE2 4.16Å
28	T	90.7	Very high	89.7	Confident	48 Å²	48	60.6 Å²	60.6	29%	0.294	33%	0.327	S	S	.	.	H	α-helix	trans	-68.5	-38.7	174.2	-60.8	0	0	0	0	111.6	I24 A25 D26 N31 Q32	I24-T28 VanDerWaalsContact O-CB 3.24Å; I24-T28 WeakPolarHBondContact O-CB 3.41Å; I24-T28 PolarHBondContact O-N 3.47Å; I24-T28 PolarHBondContact O-OG1 2.91Å; A25-T28 WeakPolarHBondContact O-CB 3.39Å; A25-T28 PolarHBondContact O-N 2.77Å; A25-T28 VanDerWaalsContact O-N 3.09Å; D26-T28 VanDerWaalsContact C-N 3.31Å; D26-T28 PolarHBondContact O-N 3.45Å; T28-N31 WeakPolarHBondContact O-CB 3.38Å; T28-N31 PolarHBondContact O-N 2.83Å; T28-Q32 WeakPolarHBondContact O-CG 3.31Å; T28-Q32 PolarHBondContact O-N 3.4Å
29	L	90.2	Very high	89.2	Confident	109 Å²	109	64.5 Å²	64.5	57%	0.571	34%	0.338	S	S	*	.	H	α-helix	trans	-63.5	-41.8	173.1	-70.4	168.6	0	0	0	111.3	A25 D26 N31 Q32 A33	A25-L29 WeakPolarHBondContact O-CG 3.39Å; A25-L29 PolarHBondContact O-N 3.27Å; D26-L29 PolarHBondContact O-N 2.79Å; L29-N31 PolarHBondContact O-N 2.97Å; L29-Q32 PolarHBondContact O-N 2.98Å; L29-A33 WeakPolarHBondContact O-CB 3.25Å; L29-A33 PolarHBondContact O-N 2.72Å
30	V	89	Confident	88.7	Confident	60 Å²	60	67.1 Å²	67.1	36%	0.364	35%	0.345	S	S	.	.	H	α-helix	trans	-61.6	-43.1	173	177.7	0	0	0	0	111.2	D26 F27 Q32 A33 L34 V69	D26-V30 WeakPolarHBondContact O-CG2 3.25Å; D26-V30 PolarHBondContact O-N 3.33Å; D26-V30 VanDerWaalsContact O-N 3.14Å; F27-V30 PolarHBondContact O-N 3.4Å; V30-Q32 PolarHBondContact O-N 2.99Å; V30-A33 PolarHBondContact O-N 3.31Å; V30-L34 HydrophobicContact CG1-CD1 3.99Å; V30-L34 HydrophobicContact CG1-CG 4.35Å; V30-L34 WeakPolarHBondContact O-CG 3.27Å; V30-L34 PolarHBondContact O-N 3.19Å; V30-V69 HydrophobicContact CB-CG1 4.47Å; V30-V69 HydrophobicContact CG1-CG1 4.41Å; V30-V69 HydrophobicContact CG1-CG2 3.88Å
31	N	90	Very high	88.2	Confident	9 Å²	9	67.2 Å²	67.2	5%	0.048	35%	0.345	C	S	.	.	H	α-helix	trans	-60.5	-44.4	177.1	-161.2	1.3	0	0	0	111.5	F27 T28 L29 L34 Q35 V69 Q70 I73	F27-N31 WeakPolarHBondContact O-CB 3.45Å; F27-N31 PolarHBondContact O-N 3.46Å; T28-N31 WeakPolarHBondContact O-CB 3.38Å; T28-N31 PolarHBondContact O-N 2.83Å; L29-N31 PolarHBondContact O-N 2.97Å; N31-L34 PolarHBondContact O-N 3.11Å; N31-Q35 VanDerWaalsContact CG-NE2 3.31Å; N31-Q35 WeakPolarHBondContact O-CB 3.25Å; N31-Q35 VanDerWaalsContact O-CG 3.22Å; N31-Q35 WeakPolarHBondContact O-CG 3.38Å; N31-Q35 PolarHBondContact O-N 3.47Å; N31-Q35 PolarHBondContact OD1-NE2 2.83Å; N31-V69 HydrophobicContact CB-CG1 3.73Å; N31-Q70 PolarHBondContact ND2-OE1 2.95Å; N31-I73 HydrophobicContact CB-CD1 4.06Å
32	Q	89.9	Confident	87.5	Confident	103 Å²	103	65.3 Å²	65.3	48%	0.481	34%	0.34	S	S	.	.	H	α-helix	trans	-62.8	-43.6	175.2	-71.8	173	-0.5	0	0	112.1	T28 L29 V30 Q35 L36	T28-Q32 WeakPolarHBondContact O-CG 3.31Å; T28-Q32 PolarHBondContact O-N 3.4Å; L29-Q32 PolarHBondContact O-N 2.98Å; V30-Q32 PolarHBondContact O-N 2.99Å; Q32-Q35 PolarHBondContact O-N 2.95Å; Q32-L36 WeakPolarHBondContact O-CB 3.23Å; Q32-L36 WeakPolarHBondContact O-CG 3.31Å; Q32-L36 PolarHBondContact O-N 3.4Å
33	A	87.9	Confident	86.9	Confident	42 Å²	42	64.8 Å²	64.8	35%	0.347	33%	0.332	S	S	.	.	H	α-helix	trans	-63	-42.2	177.2	0	0	0	0	0	112.3	L29 V30 L36 K37	L29-A33 WeakPolarHBondContact O-CB 3.25Å; L29-A33 PolarHBondContact O-N 2.72Å; V30-A33 PolarHBondContact O-N 3.31Å; A33-L36 PolarHBondContact O-N 3.47Å; A33-K37 PolarHBondContact O-N 3Å
34	L	89.2	Confident	86.1	Confident	14 Å²	14	65 Å²	65	7%	0.073	33%	0.333	C	S	.	.	H	α-helix	trans	-65.7	-44	175	-68.2	170.1	0	0	0	111.6	V30 N31 L36 K37 T38 V62 D65 I66 V69	V30-L34 HydrophobicContact CG1-CD1 3.99Å; V30-L34 HydrophobicContact CG1-CG 4.35Å; V30-L34 WeakPolarHBondContact O-CG 3.27Å; V30-L34 PolarHBondContact O-N 3.19Å; N31-L34 PolarHBondContact O-N 3.11Å; L34-L36 VanDerWaalsContact C-N 3.33Å; L34-L36 PolarHBondContact O-N 2.84Å; L34-K37 CarbonylContact O-C 3.57Å; L34-K37 WeakPolarHBondContact O-CA 3.22Å; L34-K37 WeakPolarHBondContact O-CB 3.07Å; L34-K37 PolarHBondContact O-N 3.4Å; L34-K37 VanDerWaalsContact O-N 3.07Å; L34-T38 PolarHBondContact O-N 2.71Å; L34-T38 PolarHBondContact O-OG1 2.9Å; L34-V62 HydrophobicContact CB-CG1 4.26Å; L34-V62 HydrophobicContact CD2-CG1 4.18Å; L34-D65 HydrophobicContact CD1-CB 3.89Å; L34-D65 HydrophobicContact CD2-CB 4.22Å; L34-I66 HydrophobicContact CB-CD1 4.06Å; L34-I66 HydrophobicContact CB-CG1 3.52Å; L34-I66 HydrophobicContact CD1-CG1 4.15Å; L34-I66 HydrophobicContact CG-CG1 4.46Å; L34-V69 HydrophobicContact CD1-CB 4.49Å; L34-V69 HydrophobicContact CD1-CG2 3.91Å
35	Q	85.8	Confident	85.2	Confident	94 Å²	94	65.6 Å²	65.6	44%	0.439	34%	0.336	S	S	.	.	H	α-helix	trans	-61.8	-38.3	175.9	-72.3	171.7	31.1	0	0	112.5	N31 Q32 T38 Y39 I66	N31-Q35 VanDerWaalsContact CG-NE2 3.31Å; N31-Q35 WeakPolarHBondContact O-CB 3.25Å; N31-Q35 VanDerWaalsContact O-CG 3.22Å; N31-Q35 WeakPolarHBondContact O-CG 3.38Å; N31-Q35 PolarHBondContact O-N 3.47Å; N31-Q35 PolarHBondContact OD1-NE2 2.83Å; Q32-Q35 PolarHBondContact O-N 2.95Å; Q35-T38 WeakPolarHBondContact O-CB 3.45Å; Q35-T38 PolarHBondContact O-N 3Å; Q35-Y39 PolarHBondContact O-N 3.37Å; Q35-I66 HydrophobicContact CG-CD1 4Å
36	L	87.3	Confident	84.3	Confident	107 Å²	107	69 Å²	69	56%	0.56	35%	0.347	S	S	*	.	H	α-helix	trans	-63.4	-40.5	171.6	-74.6	169.9	0	0	0	111.5	Q32 A33 L34 Y39 Q40	Q32-L36 WeakPolarHBondContact O-CB 3.23Å; Q32-L36 WeakPolarHBondContact O-CG 3.31Å; Q32-L36 PolarHBondContact O-N 3.4Å; A33-L36 PolarHBondContact O-N 3.47Å; L34-L36 VanDerWaalsContact C-N 3.33Å; L34-L36 PolarHBondContact O-N 2.84Å; L36-Y39 PolarHBondContact O-N 3.47Å; L36-Q40 WeakPolarHBondContact O-CG 3.4Å; L36-Q40 PolarHBondContact O-N 3.33Å
37	K	86.8	Confident	83.5	Confident	57 Å²	57	74.3 Å²	74.3	25%	0.248	36%	0.361	C	S	.	.	H	α-helix	trans	-63.3	-42.6	172.8	-170.8	175	177	-176.3	0	111.5	A33 L34 Y39 Q40 L41 E58 V62	A33-K37 PolarHBondContact O-N 3Å; L34-K37 CarbonylContact O-C 3.57Å; L34-K37 WeakPolarHBondContact O-CA 3.22Å; L34-K37 WeakPolarHBondContact O-CB 3.07Å; L34-K37 PolarHBondContact O-N 3.4Å; L34-K37 VanDerWaalsContact O-N 3.07Å; K37-Y39 VanDerWaalsContact C-N 3.31Å; K37-Y39 PolarHBondContact O-N 3.42Å; K37-Q40 PolarHBondContact O-N 3.32Å; K37-L41 HydrophobicContact CG-CD1 4.04Å; K37-L41 HydrophobicContact CG-CG 4.37Å; K37-L41 WeakPolarHBondContact O-CB 3.38Å; K37-L41 VanDerWaalsContact O-CG 3.25Å; K37-L41 WeakPolarHBondContact O-CG 3.21Å; K37-L41 PolarHBondContact O-N 3.38Å; K37-E58 WeakPolarHBondContact CE-OE1 3.24Å; K37-E58 IonicContact NZ-OE1 2.67Å; K37-E58 PolarHBondContact NZ-OE1 3.16Å; K37-V62 HydrophobicContact CB-CG1 4.45Å; K37-V62 HydrophobicContact CD-CG2 3.76Å; K37-V62 HydrophobicContact CG-CG2 4.25Å
38	T	84.4	Confident	82.2	Confident	18 Å²	18	75 Å²	75	11%	0.11	37%	0.365	C	S	.	.	H	α-helix	trans	-57.1	-42.9	173.2	-52.9	0	0	0	0	112	L34 Q35 L41 L42 Y59 V62 I66	L34-T38 PolarHBondContact O-N 2.71Å; L34-T38 PolarHBondContact O-OG1 2.9Å; Q35-T38 WeakPolarHBondContact O-CB 3.45Å; Q35-T38 PolarHBondContact O-N 3Å; T38-L41 PolarHBondContact O-N 2.76Å; T38-L42 HydrophobicContact CG2-CD1 4.32Å; T38-L42 WeakPolarHBondContact O-CB 3.48Å; T38-L42 WeakPolarHBondContact O-CG 3.38Å; T38-L42 PolarHBondContact O-N 2.66Å; T38-Y59 HydrophobicContact CG2-CD2 3.9Å; T38-Y59 HydrophobicContact CG2-CE2 3.34Å; T38-V62 WeakPolarHBondContact OG1-CG1 3.46Å; T38-I66 VanDerWaalsContact OG1-CD1 3.27Å; T38-I66 WeakPolarHBondContact OG1-CD1 3.37Å
39	Y	82.2	Confident	80.6	Confident	145 Å²	145	79.9 Å²	79.9	57%	0.569	39%	0.385	S	S	*	.	H	α-helix	trans	-67.1	-38.7	176	179.2	-109.2	0	0	0	112.9	Q35 L36 K37 N43	Q35-Y39 PolarHBondContact O-N 3.37Å; L36-Y39 PolarHBondContact O-N 3.47Å; K37-Y39 VanDerWaalsContact C-N 3.31Å; K37-Y39 PolarHBondContact O-N 3.42Å; Y39-N43 WeakPolarHBondContact CE1-ND2 3.45Å; Y39-N43 WeakPolarHBondContact O-CB 3.35Å; Y39-N43 PolarHBondContact O-N 3.15Å; Y39-N43 PolarHBondContact OH-ND2 3.06Å
40	Q	83	Confident	79	Confident	126 Å²	126	82 Å²	82	59%	0.589	40%	0.396	S	S	*	.	H	α-helix	trans	-63.8	-44.5	173	-71.6	170.2	1	0	0	111.7	L36 K37 N43 F44	L36-Q40 WeakPolarHBondContact O-CG 3.4Å; L36-Q40 PolarHBondContact O-N 3.33Å; K37-Q40 PolarHBondContact O-N 3.32Å; Q40-N43 PolarHBondContact O-N 3.26Å; Q40-F44 WeakPolarHBondContact O-CB 3.49Å; Q40-F44 PolarHBondContact O-N 2.94Å
41	L	81.3	Confident	77.3	Confident	12 Å²	12	84.3 Å²	84.3	6%	0.063	40%	0.402	C	S	.	.	H	α-helix	trans	-62.5	-44.3	176.8	-68.4	166.1	0	0	0	111.4	K37 T38 N43 F44 I45 I55 E58 Y59 V62	K37-L41 HydrophobicContact CG-CD1 4.04Å; K37-L41 HydrophobicContact CG-CG 4.37Å; K37-L41 WeakPolarHBondContact O-CB 3.38Å; K37-L41 VanDerWaalsContact O-CG 3.25Å; K37-L41 WeakPolarHBondContact O-CG 3.21Å; K37-L41 PolarHBondContact O-N 3.38Å; T38-L41 PolarHBondContact O-N 2.76Å; L41-N43 PolarHBondContact O-N 2.89Å; L41-F44 PolarHBondContact O-N 3.42Å; L41-F44 VanDerWaalsContact O-N 3.15Å; L41-I45 VanDerWaalsContact O-CG1 3.31Å; L41-I45 WeakPolarHBondContact O-CG1 3.32Å; L41-I45 PolarHBondContact O-N 3.03Å; L41-I55 HydrophobicContact CB-CG2 4.11Å; L41-I55 HydrophobicContact CD2-CG2 3.59Å; L41-I55 HydrophobicContact CG-CG2 4.46Å; L41-E58 HydrophobicContact CD1-CB 4.48Å; L41-E58 HydrophobicContact CD1-CG 4.07Å; L41-E58 HydrophobicContact CD2-CB 4.2Å; L41-E58 HydrophobicContact CD2-CG 4.03Å; L41-Y59 HydrophobicContact CB-CD2 4.47Å; L41-V62 HydrophobicContact CD1-CB 4.39Å; L41-V62 HydrophobicContact CD1-CG2 4.02Å
42	L	77.5	Confident	75.8	Confident	55 Å²	55	86.5 Å²	86.5	29%	0.288	42%	0.418	S	S	.	.	H	α-helix	trans	-58.2	-47.3	172.5	-82.6	162	0	0	0	112.1	T38 F44 I45 N46 Y59	T38-L42 HydrophobicContact CG2-CD1 4.32Å; T38-L42 WeakPolarHBondContact O-CB 3.48Å; T38-L42 WeakPolarHBondContact O-CG 3.38Å; T38-L42 PolarHBondContact O-N 2.66Å; L42-F44 PolarHBondContact O-N 2.99Å; L42-I45 PolarHBondContact O-N 3.17Å; L42-N46 WeakPolarHBondContact O-CB 3.38Å; L42-N46 PolarHBondContact O-N 2.89Å; L42-N46 PolarHBondContact O-ND2 3.18Å; L42-Y59 HydrophobicContact CD1-CE2 3.94Å; L42-Y59 HydrophobicContact CD2-CE2 4.05Å; L42-Y59 HydrophobicContact CG-CD2 4.27Å; L42-Y59 HydrophobicContact CG-CE2 3.71Å
43	N	78.6	Confident	74.1	Confident	52 Å²	52	84.1 Å²	84.1	28%	0.278	42%	0.421	S	S	.	.	H	α-helix	trans	-64.6	-27.2	176.6	-81.9	-23.3	0	0	0	113.3	Y39 Q40 L41 R47	Y39-N43 WeakPolarHBondContact CE1-ND2 3.45Å; Y39-N43 WeakPolarHBondContact O-CB 3.35Å; Y39-N43 PolarHBondContact O-N 3.15Å; Y39-N43 PolarHBondContact OH-ND2 3.06Å; Q40-N43 PolarHBondContact O-N 3.26Å; L41-N43 PolarHBondContact O-N 2.89Å; N43-R47 WeakPolarHBondContact O-CD 3.28Å; N43-R47 WeakPolarHBondContact O-CG 3.32Å
44	F	74.1	Confident	72.7	Confident	92 Å²	92	88.6 Å²	88.6	40%	0.404	44%	0.439	S	S	.	.	H	α-helix	trans	-80.5	-42	177.1	-166.5	-110.8	0	0	0	111.7	Q40 L41 L42 N46 R47 H48 I55	Q40-F44 WeakPolarHBondContact O-CB 3.49Å; Q40-F44 PolarHBondContact O-N 2.94Å; L41-F44 PolarHBondContact O-N 3.42Å; L41-F44 VanDerWaalsContact O-N 3.15Å; L42-F44 PolarHBondContact O-N 2.99Å; F44-N46 VanDerWaalsContact C-N 3.3Å; F44-N46 PolarHBondContact O-N 2.78Å; F44-R47 PolarHBondContact O-N 3.25Å; F44-H48 AromaticContact CD2-CD2 3.56Å; F44-H48 AromaticContact CE2-CD2 3.27Å; F44-H48 WeakPolarHBondContact CE2-CD2 3.42Å; F44-H48 AromaticContact CE2-NE2 3.66Å; F44-H48 AromaticContact CZ-CD2 3.77Å; F44-H48 PolarHBondContact O-N 2.91Å; F44-I55 HydrophobicContact CD1-CD1 3.39Å; F44-I55 HydrophobicContact CD1-CG1 3.78Å; F44-I55 HydrophobicContact CD1-CG2 4.33Å; F44-I55 HydrophobicContact CE1-CD1 3.76Å; F44-I55 HydrophobicContact CE1-CG1 4.06Å; F44-I55 HydrophobicContact CG-CD1 4.44Å
45	I	71.3	Confident	71.4	Confident	42 Å²	42	88.3 Å²	88.3	22%	0.215	44%	0.437	C	S	.	.	H	α-helix	trans	-54.5	-48.1	169	-69.3	163.2	0	0	0	110.1	L41 L42 R47 H48 I55	L41-I45 VanDerWaalsContact O-CG1 3.31Å; L41-I45 WeakPolarHBondContact O-CG1 3.32Å; L41-I45 PolarHBondContact O-N 3.03Å; L42-I45 PolarHBondContact O-N 3.17Å; I45-R47 PolarHBondContact O-N 2.92Å; I45-R47 VanDerWaalsContact O-N 3.07Å; I45-H48 PolarHBondContact O-N 3.46Å; I45-I55 HydrophobicContact CD1-CB 4.2Å; I45-I55 HydrophobicContact CD1-CG2 3.9Å; I45-I55 HydrophobicContact CG1-CB 3.67Å; I45-I55 HydrophobicContact CG1-CD1 3.93Å; I45-I55 HydrophobicContact CG1-CG1 4.45Å; I45-I55 HydrophobicContact CG1-CG2 3.54Å
46	N	72.1	Confident	70.5	Confident	121 Å²	121	87 Å²	87	65%	0.647	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-1.6	179.8	-67.5	-22.2	0	0	0	114.4	L42 F44	L42-N46 WeakPolarHBondContact O-CB 3.38Å; L42-N46 PolarHBondContact O-N 2.89Å; L42-N46 PolarHBondContact O-ND2 3.18Å; F44-N46 VanDerWaalsContact C-N 3.3Å; F44-N46 PolarHBondContact O-N 2.78Å
47	R	71.5	Confident	69.8	Low	189 Å²	189	87.8 Å²	87.8	71%	0.713	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	-20.8	178.8	-74.6	175.6	-176.4	-167.3	1.8	114.1	N43 F44 I45	N43-R47 WeakPolarHBondContact O-CD 3.28Å; N43-R47 WeakPolarHBondContact O-CG 3.32Å; F44-R47 PolarHBondContact O-N 3.25Å; I45-R47 PolarHBondContact O-N 2.92Å; I45-R47 VanDerWaalsContact O-N 3.07Å
48	H	64	Low	69.3	Low	79 Å²	79	89 Å²	89	37%	0.366	44%	0.441	S	S	.	.			trans	-140.2	91.1	-173.4	-59	-74	0	0	0	111.8	F44 I45 D50 F51	F44-H48 AromaticContact CD2-CD2 3.56Å; F44-H48 AromaticContact CE2-CD2 3.27Å; F44-H48 WeakPolarHBondContact CE2-CD2 3.42Å; F44-H48 AromaticContact CE2-NE2 3.66Å; F44-H48 AromaticContact CZ-CD2 3.77Å; F44-H48 PolarHBondContact O-N 2.91Å; I45-H48 PolarHBondContact O-N 3.46Å; H48-D50 VanDerWaalsContact C-N 3.26Å; H48-D50 PolarHBondContact O-N 2.82Å; H48-F51 HydrophobicContact CB-CD2 3.98Å; H48-F51 PolarHBondContact O-N 3.18Å
49	E	57	Low	68.9	Low	152 Å²	152	90.5 Å²	90.5	71%	0.71	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-58.2	-38.2	-180	-57.4	-173.9	145.2	0	0	112.2	F51 S52	E49-F51 VanDerWaalsContact C-N 3.28Å; E49-F51 PolarHBondContact O-N 2.85Å; E49-S52 VanDerWaalsContact O-CB 3.27Å; E49-S52 WeakPolarHBondContact O-CB 3.27Å; E49-S52 PolarHBondContact O-N 2.73Å; E49-S52 PolarHBondContact O-OG 3.24Å
50	D	55.4	Low	68.5	Low	152 Å²	152	87.9 Å²	87.9	81%	0.813	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-58.8	-30.2	-177.2	-61.1	-44.3	0	0	0	114.7	H48	H48-D50 VanDerWaalsContact C-N 3.26Å; H48-D50 PolarHBondContact O-N 2.82Å
51	F	54.7	Low	68.3	Low	109 Å²	109	84.4 Å²	84.4	48%	0.478	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-97.7	-3.3	-175.8	-68	-64.4	0	0	0	113.8	H48 E49 G53 L54 I55	H48-F51 HydrophobicContact CB-CD2 3.98Å; H48-F51 PolarHBondContact O-N 3.18Å; E49-F51 VanDerWaalsContact C-N 3.28Å; E49-F51 PolarHBondContact O-N 2.85Å; F51-G53 VanDerWaalsContact C-N 3.27Å; F51-G53 PolarHBondContact O-N 3.22Å; F51-L54 PolarHBondContact O-N 3.28Å; F51-I55 HydrophobicContact CB-CD1 3.64Å; F51-I55 HydrophobicContact CB-CG1 4.01Å; F51-I55 WeakPolarHBondContact O-CG1 3.1Å; F51-I55 PolarHBondContact O-N 3.46Å
52	S	57.3	Low	68.3	Low	56 Å²	56	84 Å²	84	39%	0.392	42%	0.423	S	S	.	.	H	α-helix	trans	-39.4	-48.9	-174.1	49.2	0	0	0	0	114.4	E49 L54 I55 T56	E49-S52 VanDerWaalsContact O-CB 3.27Å; E49-S52 WeakPolarHBondContact O-CB 3.27Å; E49-S52 PolarHBondContact O-N 2.73Å; E49-S52 PolarHBondContact O-OG 3.24Å; S52-L54 PolarHBondContact O-N 2.85Å; S52-I55 PolarHBondContact O-N 2.97Å; S52-T56 WeakPolarHBondContact O-CG2 3.25Å; S52-T56 PolarHBondContact O-N 2.89Å; S52-T56 PolarHBondContact O-OG1 3.3Å; S52-T56 VanDerWaalsContact O-OG1 3.1Å
53	G	55.4	Low	68.3	Low	53 Å²	53	83.3 Å²	83.3	55%	0.546	42%	0.422	S	S	.	.	H	α-helix	trans	-69.7	-17.1	-177.6	0	0	0	0	0	117.2	F51	F51-G53 VanDerWaalsContact C-N 3.27Å; F51-G53 PolarHBondContact O-N 3.22Å
54	L	57.7	Low	68.1	Low	136 Å²	136	83.5 Å²	83.5	71%	0.712	42%	0.423	S	S	*	.	H	α-helix	trans	-88.4	-41.5	167.8	-87.5	81.4	0	0	0	110.7	F51 S52 T56 K57 E58	F51-L54 PolarHBondContact O-N 3.28Å; S52-L54 PolarHBondContact O-N 2.85Å; L54-T56 PolarHBondContact O-N 2.87Å; L54-K57 WeakPolarHBondContact O-CB 3.12Å; L54-K57 PolarHBondContact O-N 2.84Å; L54-E58 PolarHBondContact O-N 2.91Å; L54-E58 VanDerWaalsContact O-N 3.15Å
55	I	61.3	Low	68.5	Low	8 Å²	8	81.5 Å²	81.5	4%	0.041	42%	0.417	C	S	.	.	H	α-helix	trans	-71	-32.8	-174.3	-41.7	154.4	0	0	0	111	L41 F44 I45 F51 S52 K57 E58 Y59	L41-I55 HydrophobicContact CB-CG2 4.11Å; L41-I55 HydrophobicContact CD2-CG2 3.59Å; L41-I55 HydrophobicContact CG-CG2 4.46Å; F44-I55 HydrophobicContact CD1-CD1 3.39Å; F44-I55 HydrophobicContact CD1-CG1 3.78Å; F44-I55 HydrophobicContact CD1-CG2 4.33Å; F44-I55 HydrophobicContact CE1-CD1 3.76Å; F44-I55 HydrophobicContact CE1-CG1 4.06Å; F44-I55 HydrophobicContact CG-CD1 4.44Å; I45-I55 HydrophobicContact CD1-CB 4.2Å; I45-I55 HydrophobicContact CD1-CG2 3.9Å; I45-I55 HydrophobicContact CG1-CB 3.67Å; I45-I55 HydrophobicContact CG1-CD1 3.93Å; I45-I55 HydrophobicContact CG1-CG1 4.45Å; I45-I55 HydrophobicContact CG1-CG2 3.54Å; F51-I55 HydrophobicContact CB-CD1 3.64Å; F51-I55 HydrophobicContact CB-CG1 4.01Å; F51-I55 WeakPolarHBondContact O-CG1 3.1Å; F51-I55 PolarHBondContact O-N 3.46Å; S52-I55 PolarHBondContact O-N 2.97Å; I55-K57 VanDerWaalsContact C-N 3.32Å; I55-K57 PolarHBondContact O-N 3.3Å; I55-E58 PolarHBondContact O-N 2.94Å; I55-Y59 VanDerWaalsContact O-CB 3.26Å; I55-Y59 WeakPolarHBondContact O-CB 3.36Å; I55-Y59 PolarHBondContact O-N 3.32Å
56	T	68.6	Low	69	Low	65 Å²	65	81 Å²	81	40%	0.399	41%	0.414	S	S	.	.	H	α-helix	trans	-61.4	-39.7	171.2	49.1	0	0	0	0	112	S52 L54 Y59 D60	S52-T56 WeakPolarHBondContact O-CG2 3.25Å; S52-T56 PolarHBondContact O-N 2.89Å; S52-T56 PolarHBondContact O-OG1 3.3Å; S52-T56 VanDerWaalsContact O-OG1 3.1Å; L54-T56 PolarHBondContact O-N 2.87Å; T56-Y59 WeakPolarHBondContact O-CB 3.38Å; T56-Y59 PolarHBondContact O-N 3.15Å; T56-D60 WeakPolarHBondContact O-CB 3.43Å; T56-D60 VanDerWaalsContact O-CG 3.3Å; T56-D60 PolarHBondContact O-N 3.06Å
57	K	72.1	Confident	69.2	Low	125 Å²	125	80.2 Å²	80.2	54%	0.543	41%	0.41	S	S	.	.	H	α-helix	trans	-63.7	-44.4	175.6	-171.6	-169.3	171.3	-150.2	0	111.4	L54 I55 Y59 D60 E61	L54-K57 WeakPolarHBondContact O-CB 3.12Å; L54-K57 PolarHBondContact O-N 2.84Å; I55-K57 VanDerWaalsContact C-N 3.32Å; I55-K57 PolarHBondContact O-N 3.3Å; K57-Y59 VanDerWaalsContact C-N 3.33Å; K57-D60 PolarHBondContact O-N 2.96Å; K57-E61 WeakPolarHBondContact CE-OE1 3.42Å; K57-E61 IonicContact NZ-OE1 3.15Å; K57-E61 PolarHBondContact NZ-OE1 3.23Å; K57-E61 WeakPolarHBondContact O-CG 3.41Å; K57-E61 PolarHBondContact O-N 3.01Å
58	E	75.1	Confident	69.7	Low	82 Å²	82	76.6 Å²	76.6	38%	0.383	40%	0.404	S	S	.	.	H	α-helix	trans	-66.8	-36.7	177.3	-168.6	173.1	-172.1	0	0	111.9	K37 L41 L54 I55 E61 V62	K37-E58 WeakPolarHBondContact CE-OE1 3.24Å; K37-E58 IonicContact NZ-OE1 2.67Å; K37-E58 PolarHBondContact NZ-OE1 3.16Å; L41-E58 HydrophobicContact CD1-CB 4.48Å; L41-E58 HydrophobicContact CD1-CG 4.07Å; L41-E58 HydrophobicContact CD2-CB 4.2Å; L41-E58 HydrophobicContact CD2-CG 4.03Å; L54-E58 PolarHBondContact O-N 2.91Å; L54-E58 VanDerWaalsContact O-N 3.15Å; I55-E58 PolarHBondContact O-N 2.94Å; E58-E61 PolarHBondContact O-N 3.24Å; E58-V62 WeakPolarHBondContact O-CB 3.5Å; E58-V62 VanDerWaalsContact O-CG2 3.27Å; E58-V62 WeakPolarHBondContact O-CG2 3.33Å; E58-V62 PolarHBondContact O-N 2.94Å
59	Y	77.5	Confident	70.6	Confident	50 Å²	50	73.6 Å²	73.6	20%	0.196	39%	0.391	C	S	.	.	H	α-helix	trans	-61	-44.6	171.9	179.6	-83.6	0	0	0	111.9	T38 L41 L42 I55 T56 K57 V62 S63	T38-Y59 HydrophobicContact CG2-CD2 3.9Å; T38-Y59 HydrophobicContact CG2-CE2 3.34Å; L41-Y59 HydrophobicContact CB-CD2 4.47Å; L42-Y59 HydrophobicContact CD1-CE2 3.94Å; L42-Y59 HydrophobicContact CD2-CE2 4.05Å; L42-Y59 HydrophobicContact CG-CD2 4.27Å; L42-Y59 HydrophobicContact CG-CE2 3.71Å; I55-Y59 VanDerWaalsContact O-CB 3.26Å; I55-Y59 WeakPolarHBondContact O-CB 3.36Å; I55-Y59 PolarHBondContact O-N 3.32Å; T56-Y59 WeakPolarHBondContact O-CB 3.38Å; T56-Y59 PolarHBondContact O-N 3.15Å; K57-Y59 VanDerWaalsContact C-N 3.33Å; Y59-V62 PolarHBondContact O-N 3.36Å; Y59-S63 WeakPolarHBondContact O-CB 3.44Å; Y59-S63 PolarHBondContact O-N 3.3Å
60	D	73.2	Confident	71.7	Confident	90 Å²	90	69.7 Å²	69.7	48%	0.481	37%	0.372	S	S	.	.	H	α-helix	trans	-66	-42	177.1	-73.6	-22.8	0	0	0	111.7	T56 K57 S63 N64	T56-D60 WeakPolarHBondContact O-CB 3.43Å; T56-D60 VanDerWaalsContact O-CG 3.3Å; T56-D60 PolarHBondContact O-N 3.06Å; K57-D60 PolarHBondContact O-N 2.96Å; D60-S63 PolarHBondContact O-N 2.86Å; D60-N64 PolarHBondContact O-N 3.4Å; D60-N64 PolarHBondContact O-ND2 3.32Å
61	E	77.8	Confident	72.8	Confident	52 Å²	52	66.1 Å²	66.1	24%	0.243	36%	0.359	C	S	.	.	H	α-helix	trans	-62.6	-49	175	-71	-171.3	-173.9	0	0	111	K57 E58 S63 N64 D65 R962	K57-E61 WeakPolarHBondContact CE-OE1 3.42Å; K57-E61 IonicContact NZ-OE1 3.15Å; K57-E61 PolarHBondContact NZ-OE1 3.23Å; K57-E61 WeakPolarHBondContact O-CG 3.41Å; K57-E61 PolarHBondContact O-N 3.01Å; E58-E61 PolarHBondContact O-N 3.24Å; E61-S63 VanDerWaalsContact C-N 3.31Å; E61-S63 PolarHBondContact O-N 3.5Å; E61-N64 PolarHBondContact O-N 2.87Å; E61-N64 VanDerWaalsContact O-N 3.16Å; E61-D65 PolarHBondContact O-N 2.98Å; E61-R962 VanDerWaalsContact CD-NH2 3.3Å; E61-R962 IonicContact OE1-NH2 3.71Å; E61-R962 PolarHBondContact OE1-NH2 3.08Å; E61-R962 IonicContact OE2-CZ 3.6Å; E61-R962 IonicContact OE2-NH1 3.63Å; E61-R962 PolarHBondContact OE2-NH1 3Å; E61-R962 IonicContact OE2-NH2 2.72Å; E61-R962 PolarHBondContact OE2-NH2 3.26Å
62	V	81.5	Confident	74.1	Confident	4 Å²	4	61.4 Å²	61.4	2%	0.024	34%	0.341	C	S	.	.	H	α-helix	trans	-62.2	-35.9	176.1	173.7	0	0	0	0	112.2	L34 K37 T38 L41 E58 Y59 D65 I66	L34-V62 HydrophobicContact CB-CG1 4.26Å; L34-V62 HydrophobicContact CD2-CG1 4.18Å; K37-V62 HydrophobicContact CB-CG1 4.45Å; K37-V62 HydrophobicContact CD-CG2 3.76Å; K37-V62 HydrophobicContact CG-CG2 4.25Å; T38-V62 WeakPolarHBondContact OG1-CG1 3.46Å; L41-V62 HydrophobicContact CD1-CB 4.39Å; L41-V62 HydrophobicContact CD1-CG2 4.02Å; E58-V62 WeakPolarHBondContact O-CB 3.5Å; E58-V62 VanDerWaalsContact O-CG2 3.27Å; E58-V62 WeakPolarHBondContact O-CG2 3.33Å; E58-V62 PolarHBondContact O-N 2.94Å; Y59-V62 PolarHBondContact O-N 3.36Å; V62-D65 PolarHBondContact O-N 3.49Å; V62-I66 HydrophobicContact CG1-CD1 4.25Å; V62-I66 WeakPolarHBondContact O-CG1 3.45Å; V62-I66 PolarHBondContact O-N 3.49Å
63	S	77.5	Confident	75.4	Confident	40 Å²	40	59.4 Å²	59.4	28%	0.28	33%	0.326	S	S	.	.	H	α-helix	trans	-66.3	-39.1	175.6	-175.2	0	0	0	0	112	Y59 D60 E61 I66 N67	Y59-S63 WeakPolarHBondContact O-CB 3.44Å; Y59-S63 PolarHBondContact O-N 3.3Å; D60-S63 PolarHBondContact O-N 2.86Å; E61-S63 VanDerWaalsContact C-N 3.31Å; E61-S63 PolarHBondContact O-N 3.5Å; S63-I66 PolarHBondContact O-N 3.48Å; S63-N67 PolarHBondContact O-N 3.07Å; S63-N67 PolarHBondContact O-ND2 3.22Å
64	N	75.1	Confident	76.6	Confident	56 Å²	56	61 Å²	61	30%	0.299	32%	0.321	S	S	.	.	H	α-helix	trans	-63.8	-43.5	171.6	-77.5	-78.7	0	0	0	111.2	D60 E61 I66 N67 I68 N725	D60-N64 PolarHBondContact O-N 3.4Å; D60-N64 PolarHBondContact O-ND2 3.32Å; E61-N64 PolarHBondContact O-N 2.87Å; E61-N64 VanDerWaalsContact O-N 3.16Å; N64-I66 VanDerWaalsContact C-N 3.35Å; N64-I66 PolarHBondContact O-N 3.27Å; N64-N67 PolarHBondContact O-N 3.43Å; N64-N67 VanDerWaalsContact O-N 3.12Å; N64-I68 WeakPolarHBondContact O-CG1 3.27Å; N64-I68 PolarHBondContact O-N 3.37Å; N64-N725 PolarHBondContact OD1-ND2 3.2Å
65	D	81.6	Confident	77.9	Confident	51 Å²	51	61.7 Å²	61.7	27%	0.273	32%	0.315	S	S	.	.	H	α-helix	trans	-61.6	-40.5	178	-66.9	-26.2	0	0	0	112	L34 E61 V62 N67 I68 V69	L34-D65 HydrophobicContact CD1-CB 3.89Å; L34-D65 HydrophobicContact CD2-CB 4.22Å; E61-D65 PolarHBondContact O-N 2.98Å; V62-D65 PolarHBondContact O-N 3.49Å; D65-N67 VanDerWaalsContact C-N 3.33Å; D65-N67 PolarHBondContact O-N 3.27Å; D65-I68 PolarHBondContact O-N 2.92Å; D65-V69 WeakPolarHBondContact O-CB 3.48Å; D65-V69 WeakPolarHBondContact O-CG2 3.46Å; D65-V69 PolarHBondContact O-N 2.91Å
66	I	82.7	Confident	79.1	Confident	30 Å²	30	62.8 Å²	62.8	15%	0.154	32%	0.319	C	S	.	.	H	α-helix	trans	-58.1	-44.3	172.8	-73	168.8	0	0	0	111.3	L34 Q35 T38 V62 S63 N64 I68 V69 Q70	L34-I66 HydrophobicContact CB-CD1 4.06Å; L34-I66 HydrophobicContact CB-CG1 3.52Å; L34-I66 HydrophobicContact CD1-CG1 4.15Å; L34-I66 HydrophobicContact CG-CG1 4.46Å; Q35-I66 HydrophobicContact CG-CD1 4Å; T38-I66 VanDerWaalsContact OG1-CD1 3.27Å; T38-I66 WeakPolarHBondContact OG1-CD1 3.37Å; V62-I66 HydrophobicContact CG1-CD1 4.25Å; V62-I66 WeakPolarHBondContact O-CG1 3.45Å; V62-I66 PolarHBondContact O-N 3.49Å; S63-I66 PolarHBondContact O-N 3.48Å; N64-I66 VanDerWaalsContact C-N 3.35Å; N64-I66 PolarHBondContact O-N 3.27Å; I66-I68 PolarHBondContact O-N 2.95Å; I66-V69 PolarHBondContact O-N 2.82Å; I66-Q70 VanDerWaalsContact O-CB 3.32Å; I66-Q70 WeakPolarHBondContact O-CB 3.14Å; I66-Q70 PolarHBondContact O-N 2.92Å
67	N	77.2	Confident	80.2	Confident	106 Å²	106	62.4 Å²	62.4	57%	0.567	32%	0.316	S	S	*	.	H	α-helix	trans	-65.9	-37.4	179	-77.4	-76.1	0	0	0	112.2	S63 N64 D65 S71	S63-N67 PolarHBondContact O-N 3.07Å; S63-N67 PolarHBondContact O-ND2 3.22Å; N64-N67 PolarHBondContact O-N 3.43Å; N64-N67 VanDerWaalsContact O-N 3.12Å; D65-N67 VanDerWaalsContact C-N 3.33Å; D65-N67 PolarHBondContact O-N 3.27Å; N67-S71 WeakPolarHBondContact O-CB 3.43Å; N67-S71 PolarHBondContact O-N 3.38Å
68	I	81	Confident	80.7	Confident	113 Å²	113	60.4 Å²	60.4	58%	0.579	32%	0.317	S	S	*	.	H	α-helix	trans	-66.3	-47.2	175.4	-67	165.4	0	0	0	110.6	N64 D65 I66 S71 A72	N64-I68 WeakPolarHBondContact O-CG1 3.27Å; N64-I68 PolarHBondContact O-N 3.37Å; D65-I68 PolarHBondContact O-N 2.92Å; I66-I68 PolarHBondContact O-N 2.95Å; I68-S71 PolarHBondContact O-N 2.69Å; I68-A72 PolarHBondContact O-N 3.19Å
69	V	82.7	Confident	81.4	Confident	15 Å²	15	60.5 Å²	60.5	9%	0.091	32%	0.318	C	S	.	.	H	α-helix	trans	-63.6	-43.8	178.7	169.2	0	0	0	0	111.2	F27 V30 N31 L34 D65 I66 S71 A72 I73	F27-V69 HydrophobicContact CB-CG1 4.44Å; F27-V69 HydrophobicContact CD1-CG1 4.25Å; F27-V69 VanDerWaalsContact O-CG1 3.26Å; F27-V69 WeakPolarHBondContact O-CG1 3.27Å; V30-V69 HydrophobicContact CB-CG1 4.47Å; V30-V69 HydrophobicContact CG1-CG1 4.41Å; V30-V69 HydrophobicContact CG1-CG2 3.88Å; N31-V69 HydrophobicContact CB-CG1 3.73Å; L34-V69 HydrophobicContact CD1-CB 4.49Å; L34-V69 HydrophobicContact CD1-CG2 3.91Å; D65-V69 WeakPolarHBondContact O-CB 3.48Å; D65-V69 WeakPolarHBondContact O-CG2 3.46Å; D65-V69 PolarHBondContact O-N 2.91Å; I66-V69 PolarHBondContact O-N 2.82Å; V69-S71 PolarHBondContact O-N 2.65Å; V69-A72 WeakPolarHBondContact O-CB 3.29Å; V69-A72 PolarHBondContact O-N 2.88Å; V69-I73 HydrophobicContact CG1-CD1 4.14Å; V69-I73 WeakPolarHBondContact O-CG1 3.45Å; V69-I73 PolarHBondContact O-N 2.92Å
70	Q	81	Confident	82.1	Confident	70 Å²	70	58.8 Å²	58.8	33%	0.327	31%	0.311	S	S	.	.	H	α-helix	trans	-61.9	-42.5	175.4	-171.8	61.1	55.5	0	0	111.6	N31 I66 A72 I73 D74	N31-Q70 PolarHBondContact ND2-OE1 2.95Å; I66-Q70 VanDerWaalsContact O-CB 3.32Å; I66-Q70 WeakPolarHBondContact O-CB 3.14Å; I66-Q70 PolarHBondContact O-N 2.92Å; Q70-A72 VanDerWaalsContact C-N 3.27Å; Q70-A72 PolarHBondContact O-N 2.87Å; Q70-I73 WeakPolarHBondContact O-CB 3.38Å; Q70-I73 PolarHBondContact O-N 3.09Å; Q70-I73 VanDerWaalsContact O-N 3.16Å; Q70-D74 PolarHBondContact NE2-OD1 2.86Å; Q70-D74 VanDerWaalsContact O-CG 3.22Å; Q70-D74 PolarHBondContact O-N 3.18Å
71	S	77.9	Confident	82.8	Confident	77 Å²	77	58.9 Å²	58.9	54%	0.538	31%	0.309	S	S	.	.	H	α-helix	trans	-61.9	-34.4	175.6	-172.1	0	0	0	0	112.7	N67 I68 V69 R75	N67-S71 WeakPolarHBondContact O-CB 3.43Å; N67-S71 PolarHBondContact O-N 3.38Å; I68-S71 PolarHBondContact O-N 2.69Å; V69-S71 PolarHBondContact O-N 2.65Å; S71-R75 WeakPolarHBondContact O-CB 3.46Å; S71-R75 PolarHBondContact O-N 3.37Å
72	A	82.1	Confident	83.2	Confident	11 Å²	11	60.9 Å²	60.9	9%	0.091	32%	0.322	C	S	.	.	H	α-helix	trans	-69.4	-40.9	173.1	0	0	0	0	0	112.7	F27 I68 V69 Q70 R75 Y76	F27-A72 HydrophobicContact CD1-CB 3.59Å; F27-A72 HydrophobicContact CE1-CB 3.52Å; F27-A72 HydrophobicContact CZ-CB 4.39Å; I68-A72 PolarHBondContact O-N 3.19Å; V69-A72 WeakPolarHBondContact O-CB 3.29Å; V69-A72 PolarHBondContact O-N 2.88Å; Q70-A72 VanDerWaalsContact C-N 3.27Å; Q70-A72 PolarHBondContact O-N 2.87Å; A72-R75 PolarHBondContact O-N 3.47Å; A72-Y76 HydrophobicContact CB-CE2 4.45Å; A72-Y76 WeakPolarHBondContact O-CD2 3.34Å; A72-Y76 PolarHBondContact O-N 2.81Å
73	I	84.9	Confident	83.5	Confident	14 Å²	14	63.1 Å²	63.1	7%	0.072	33%	0.329	C	S	.	.	H	α-helix	trans	-59.6	-49.8	173.2	-67.5	167.5	0	0	0	110.3	I24 F27 N31 V69 Q70 R75 Y76 T77	I24-I73 HydrophobicContact CG2-CG2 4.5Å; F27-I73 HydrophobicContact CB-CD1 4.31Å; F27-I73 HydrophobicContact CB-CG1 3.68Å; N31-I73 HydrophobicContact CB-CD1 4.06Å; V69-I73 HydrophobicContact CG1-CD1 4.14Å; V69-I73 WeakPolarHBondContact O-CG1 3.45Å; V69-I73 PolarHBondContact O-N 2.92Å; Q70-I73 WeakPolarHBondContact O-CB 3.38Å; Q70-I73 PolarHBondContact O-N 3.09Å; Q70-I73 VanDerWaalsContact O-N 3.16Å; I73-R75 VanDerWaalsContact C-N 3.31Å; I73-R75 PolarHBondContact O-N 2.94Å; I73-Y76 PolarHBondContact O-N 2.91Å; I73-T77 VanDerWaalsContact O-CB 3.29Å; I73-T77 WeakPolarHBondContact O-CB 3.42Å; I73-T77 PolarHBondContact O-N 2.86Å; I73-T77 PolarHBondContact O-OG1 3.1Å
74	D	80.9	Confident	84.1	Confident	85 Å²	85	65.6 Å²	65.6	46%	0.455	34%	0.335	S	S	.	.	H	α-helix	trans	-58.9	-43.8	179.7	-66.1	-4.2	0	0	0	110.8	Q70 T77 C78	Q70-D74 PolarHBondContact NE2-OD1 2.86Å; Q70-D74 VanDerWaalsContact O-CG 3.22Å; Q70-D74 PolarHBondContact O-N 3.18Å; D74-T77 PolarHBondContact O-N 2.96Å; D74-C78 PolarHBondContact O-N 2.78Å; D74-C78 PolarHBondContact O-SG 3Å; D74-C78 VanDerWaalsContact O-SG 3.38Å
75	R	84.1	Confident	84.7	Confident	151 Å²	151	64.6 Å²	64.6	57%	0.57	33%	0.333	S	S	*	.	H	α-helix	trans	-62	-49.8	177.3	-176.5	-178	67.2	-175.7	-1.4	112.4	S71 A72 I73 T77 C78 E79	S71-R75 WeakPolarHBondContact O-CB 3.46Å; S71-R75 PolarHBondContact O-N 3.37Å; A72-R75 PolarHBondContact O-N 3.47Å; I73-R75 VanDerWaalsContact C-N 3.31Å; I73-R75 PolarHBondContact O-N 2.94Å; R75-T77 VanDerWaalsContact C-N 3.31Å; R75-T77 PolarHBondContact O-N 2.77Å; R75-C78 PolarHBondContact O-N 3.45Å; R75-E79 PolarHBondContact O-N 2.71Å
76	Y	87.8	Confident	84.9	Confident	32 Å²	32	65 Å²	65	13%	0.125	33%	0.332	C	S	.	.	H	α-helix	trans	-69.1	-30.6	179.1	-66	-47.6	0	0	0	112.2	L20 K23 F27 A72 I73 E79 L80	L20-Y76 HydrophobicContact CD2-CD1 3.8Å; L20-Y76 HydrophobicContact CD2-CG 4.31Å; K23-Y76 HydrophobicContact CB-CD2 4.29Å; K23-Y76 HydrophobicContact CB-CE2 4.42Å; K23-Y76 HydrophobicContact CD-CE1 4.34Å; F27-Y76 HydrophobicContact CD2-CE2 4.12Å; F27-Y76 AromaticContact CE2-CE2 3.86Å; F27-Y76 HydrophobicContact CE2-CE2 3.86Å; F27-Y76 HydrophobicContact CZ-CE2 4.16Å; A72-Y76 HydrophobicContact CB-CE2 4.45Å; A72-Y76 WeakPolarHBondContact O-CD2 3.34Å; A72-Y76 PolarHBondContact O-N 2.81Å; I73-Y76 PolarHBondContact O-N 2.91Å; Y76-E79 PolarHBondContact O-N 2.88Å; Y76-L80 WeakPolarHBondContact O-CB 3.45Å; Y76-L80 PolarHBondContact O-N 3.26Å
77	T	90.4	Very high	85.2	Confident	56 Å²	56	64.5 Å²	64.5	34%	0.344	33%	0.329	S	S	.	.	H	α-helix	trans	-65.3	-45.9	174.6	-58.5	0	0	0	0	111	I73 D74 R75 E79 L80 E81	I73-T77 VanDerWaalsContact O-CB 3.29Å; I73-T77 WeakPolarHBondContact O-CB 3.42Å; I73-T77 PolarHBondContact O-N 2.86Å; I73-T77 PolarHBondContact O-OG1 3.1Å; D74-T77 PolarHBondContact O-N 2.96Å; R75-T77 VanDerWaalsContact C-N 3.31Å; R75-T77 PolarHBondContact O-N 2.77Å; T77-E79 PolarHBondContact O-N 3.04Å; T77-L80 PolarHBondContact O-N 3.03Å; T77-E81 PolarHBondContact O-N 2.82Å
78	C	83.4	Confident	85.7	Confident	84 Å²	84	64.1 Å²	64.1	57%	0.568	33%	0.327	S	S	*	.	H	α-helix	trans	-58.4	-44.5	171.5	-73.4	0	0	0	0	111.9	D74 R75 L80 E81 D82	D74-C78 PolarHBondContact O-N 2.78Å; D74-C78 PolarHBondContact O-SG 3Å; D74-C78 VanDerWaalsContact O-SG 3.38Å; R75-C78 PolarHBondContact O-N 3.45Å; C78-L80 VanDerWaalsContact C-N 3.31Å; C78-L80 PolarHBondContact O-N 2.81Å; C78-E81 PolarHBondContact O-N 3.25Å; C78-D82 WeakPolarHBondContact O-CB 3.37Å; C78-D82 PolarHBondContact O-N 3.44Å; C78-D82 VanDerWaalsContact O-N 3.07Å
79	E	89.3	Confident	85.7	Confident	84 Å²	84	63.4 Å²	63.4	39%	0.393	32%	0.322	S	S	.	.	H	α-helix	trans	-63.9	-37	177.1	-150.2	-162.5	147.9	0	0	112	L20 R75 Y76 T77 D82 W83	L20-E79 HydrophobicContact CD1-CB 4.14Å; L20-E79 HydrophobicContact CD1-CG 4.18Å; L20-E79 HydrophobicContact CD2-CB 4.34Å; R75-E79 PolarHBondContact O-N 2.71Å; Y76-E79 PolarHBondContact O-N 2.88Å; T77-E79 PolarHBondContact O-N 3.04Å; E79-D82 WeakPolarHBondContact O-CB 3.4Å; E79-D82 PolarHBondContact O-N 3.05Å; E79-W83 PolarHBondContact O-N 2.81Å; E79-W83 PolarHBondContact OE1-NE1 2.84Å
80	L	91.7	Very high	85.8	Confident	13 Å²	13	66.3 Å²	66.3	7%	0.068	33%	0.332	C	S	.	.	H	α-helix	trans	-68	-39.6	176.6	179.9	59.9	0	0	0	112.5	C17 L20 K21 I24 Y76 T77 C78 D82 W83 K84	C17-L80 HydrophobicContact CB-CD1 3.9Å; C17-L80 WeakPolarHBondContact O-CD1 3.3Å; L20-L80 HydrophobicContact CB-CB 4.23Å; L20-L80 HydrophobicContact CB-CD1 4.14Å; K21-L80 HydrophobicContact CG-CD1 4.46Å; K21-L80 HydrophobicContact CG-CD2 3.97Å; I24-L80 HydrophobicContact CD1-CB 4.13Å; I24-L80 HydrophobicContact CD1-CD2 3.66Å; Y76-L80 WeakPolarHBondContact O-CB 3.45Å; Y76-L80 PolarHBondContact O-N 3.26Å; T77-L80 PolarHBondContact O-N 3.03Å; C78-L80 VanDerWaalsContact C-N 3.31Å; C78-L80 PolarHBondContact O-N 2.81Å; L80-D82 VanDerWaalsContact C-N 3.28Å; L80-D82 PolarHBondContact O-N 3.1Å; L80-W83 PolarHBondContact O-N 3.18Å; L80-K84 HydrophobicContact CD1-CD 4.33Å; L80-K84 HydrophobicContact CD1-CG 4.17Å; L80-K84 HydrophobicContact CG-CD 4.17Å; L80-K84 HydrophobicContact CG-CG 4.48Å; L80-K84 VanDerWaalsContact O-CB 3.32Å; L80-K84 WeakPolarHBondContact O-CB 3.32Å; L80-K84 VanDerWaalsContact O-CG 3.25Å; L80-K84 WeakPolarHBondContact O-CG 3.25Å; L80-K84 PolarHBondContact O-N 3.02Å
81	E	88.6	Confident	86	Confident	93 Å²	93	65.8 Å²	65.8	44%	0.435	33%	0.333	S	S	.	.	H	α-helix	trans	-60.1	-41.8	170.5	-71.6	-162.3	147	0	0	110.7	T77 C78 K84 S85 R529	T77-E81 PolarHBondContact O-N 2.82Å; C78-E81 PolarHBondContact O-N 3.25Å; E81-K84 PolarHBondContact O-N 2.96Å; E81-S85 VanDerWaalsContact O-CB 3.32Å; E81-S85 WeakPolarHBondContact O-CB 3.5Å; E81-S85 PolarHBondContact O-N 3.22Å; E81-R529 IonicContact OE1-CZ 3.99Å; E81-R529 IonicContact OE1-NH1 3.84Å; E81-R529 PolarHBondContact OE1-NH1 2.99Å; E81-R529 IonicContact OE2-NH1 3.91Å; E81-R529 PolarHBondContact OE2-NH1 2.96Å
82	D	85.3	Confident	86.1	Confident	94 Å²	94	68.4 Å²	68.4	50%	0.503	34%	0.339	S	S	.	.	H	α-helix	trans	-68.6	-33.2	-179	-141.9	56.3	0	0	0	113.1	C78 E79 L80 K86	C78-D82 WeakPolarHBondContact O-CB 3.37Å; C78-D82 PolarHBondContact O-N 3.44Å; C78-D82 VanDerWaalsContact O-N 3.07Å; E79-D82 WeakPolarHBondContact O-CB 3.4Å; E79-D82 PolarHBondContact O-N 3.05Å; L80-D82 VanDerWaalsContact C-N 3.28Å; L80-D82 PolarHBondContact O-N 3.1Å; D82-K86 VanDerWaalsContact O-CD 3.25Å; D82-K86 WeakPolarHBondContact O-CD 3.41Å; D82-K86 VanDerWaalsContact O-CE 3.23Å; D82-K86 WeakPolarHBondContact O-CE 3.32Å; D82-K86 VanDerWaalsContact O-CG 3.31Å; D82-K86 WeakPolarHBondContact O-CG 3.33Å; D82-K86 PolarHBondContact O-NZ 3.41Å; D82-K86 IonicContact OD2-NZ 2.66Å; D82-K86 PolarHBondContact OD2-NZ 3.38Å
83	W	89.2	Confident	85.8	Confident	50 Å²	50	72.5 Å²	72.5	19%	0.189	36%	0.357	C	S	.	.	H	α-helix	trans	-82	-35.6	173	-72.8	111.4	0	0	0	113.3	L13 K16 L20 E79 L80 K86 L87	L13-W83 HydrophobicContact CD2-CE3 3.64Å; L13-W83 HydrophobicContact CD2-CZ3 3.74Å; K16-W83 HydrophobicContact CD-CD2 4.16Å; K16-W83 HydrophobicContact CD-CE3 4.19Å; K16-W83 HydrophobicContact CD-CH2 4.05Å; K16-W83 HydrophobicContact CD-CZ2 3.96Å; K16-W83 HydrophobicContact CD-CZ3 4.14Å; L20-W83 VanDerWaalsContact CD1-CD1 3.43Å; L20-W83 HydrophobicContact CD1-CG 4.36Å; E79-W83 PolarHBondContact O-N 2.81Å; E79-W83 PolarHBondContact OE1-NE1 2.84Å; L80-W83 PolarHBondContact O-N 3.18Å; W83-K86 HydrophobicContact CD2-CD 4.33Å; W83-K86 HydrophobicContact CE3-CD 3.65Å; W83-K86 HydrophobicContact CZ3-CD 3.85Å; W83-K86 PolarHBondContact O-N 3.5Å; W83-L87 PolarHBondContact O-N 2.98Å
84	K	89.7	Confident	85.6	Confident	93 Å²	93	73.4 Å²	73.4	40%	0.404	36%	0.363	S	S	.	.	H	α-helix	trans	-59.8	-48	170.5	-78	173.2	176.9	176.4	0	111.3	L80 E81 K86 L87 D88	L80-K84 HydrophobicContact CD1-CD 4.33Å; L80-K84 HydrophobicContact CD1-CG 4.17Å; L80-K84 HydrophobicContact CG-CD 4.17Å; L80-K84 HydrophobicContact CG-CG 4.48Å; L80-K84 VanDerWaalsContact O-CB 3.32Å; L80-K84 WeakPolarHBondContact O-CB 3.32Å; L80-K84 VanDerWaalsContact O-CG 3.25Å; L80-K84 WeakPolarHBondContact O-CG 3.25Å; L80-K84 PolarHBondContact O-N 3.02Å; E81-K84 PolarHBondContact O-N 2.96Å; K84-K86 PolarHBondContact O-N 3.27Å; K84-K86 VanDerWaalsContact O-N 3.17Å; K84-L87 CarbonylContact O-C 3.49Å; K84-L87 WeakPolarHBondContact O-CA 3.44Å; K84-L87 WeakPolarHBondContact O-CB 3.43Å; K84-L87 PolarHBondContact O-N 3.26Å; K84-D88 VanDerWaalsContact O-CG 3.29Å; K84-D88 PolarHBondContact O-N 2.97Å
85	S	86.4	Confident	85.5	Confident	35 Å²	35	72.5 Å²	72.5	25%	0.245	36%	0.361	C	S	.	.	H	α-helix	trans	-55.3	-36	176.2	-179.8	0	0	0	0	112.8	E81 Q89	E81-S85 VanDerWaalsContact O-CB 3.32Å; E81-S85 WeakPolarHBondContact O-CB 3.5Å; E81-S85 PolarHBondContact O-N 3.22Å; S85-Q89 WeakPolarHBondContact O-CG 3.36Å; S85-Q89 PolarHBondContact O-N 3.33Å; S85-Q89 PolarHBondContact O-NE2 2.87Å; S85-Q89 PolarHBondContact OG-NE2 3.4Å
86	K	87.2	Confident	85.2	Confident	59 Å²	59	68.7 Å²	68.7	26%	0.257	36%	0.355	S	S	.	.	H	α-helix	trans	-71.1	-44.7	173.2	-66.5	160.6	-165	132.1	0	111.7	L13 D82 W83 K84 D88 Q89 Y90	L13-K86 HydrophobicContact CD2-CB 4.44Å; D82-K86 VanDerWaalsContact O-CD 3.25Å; D82-K86 WeakPolarHBondContact O-CD 3.41Å; D82-K86 VanDerWaalsContact O-CE 3.23Å; D82-K86 WeakPolarHBondContact O-CE 3.32Å; D82-K86 VanDerWaalsContact O-CG 3.31Å; D82-K86 WeakPolarHBondContact O-CG 3.33Å; D82-K86 PolarHBondContact O-NZ 3.41Å; D82-K86 IonicContact OD2-NZ 2.66Å; D82-K86 PolarHBondContact OD2-NZ 3.38Å; W83-K86 HydrophobicContact CD2-CD 4.33Å; W83-K86 HydrophobicContact CE3-CD 3.65Å; W83-K86 HydrophobicContact CZ3-CD 3.85Å; W83-K86 PolarHBondContact O-N 3.5Å; K84-K86 PolarHBondContact O-N 3.27Å; K84-K86 VanDerWaalsContact O-N 3.17Å; K86-D88 VanDerWaalsContact C-N 3.34Å; K86-D88 PolarHBondContact O-N 3Å; K86-Q89 PolarHBondContact O-N 2.85Å; K86-Y90 VanDerWaalsContact O-CD2 3.25Å; K86-Y90 WeakPolarHBondContact O-CD2 3.26Å; K86-Y90 PolarHBondContact O-N 3.49Å
87	L	89.4	Confident	84.5	Confident	19 Å²	19	70.1 Å²	70.1	10%	0.099	37%	0.366	C	S	.	.	H	α-helix	trans	-58.4	-44.5	176.3	178.4	63.5	0	0	0	111.7	I10 L13 W83 K84 Y90 T91	I10-L87 HydrophobicContact CG2-CD1 4Å; L13-L87 HydrophobicContact CB-CB 4.33Å; L13-L87 HydrophobicContact CB-CD1 3.99Å; W83-L87 PolarHBondContact O-N 2.98Å; K84-L87 CarbonylContact O-C 3.49Å; K84-L87 WeakPolarHBondContact O-CA 3.44Å; K84-L87 WeakPolarHBondContact O-CB 3.43Å; K84-L87 PolarHBondContact O-N 3.26Å; L87-Y90 PolarHBondContact O-N 3.33Å; L87-T91 VanDerWaalsContact O-CB 3.3Å; L87-T91 WeakPolarHBondContact O-CB 3.23Å; L87-T91 PolarHBondContact O-N 3.06Å; L87-T91 PolarHBondContact O-OG1 3.47Å
88	D	86.1	Confident	83.7	Confident	98 Å²	98	71.6 Å²	71.6	52%	0.524	37%	0.372	S	S	.	.	H	α-helix	trans	-62.1	-45.4	177.1	-63.9	-30	0	0	0	111.2	K84 K86 T91 M92	K84-D88 VanDerWaalsContact O-CG 3.29Å; K84-D88 PolarHBondContact O-N 2.97Å; K86-D88 VanDerWaalsContact C-N 3.34Å; K86-D88 PolarHBondContact O-N 3Å; D88-T91 PolarHBondContact O-N 3.43Å; D88-M92 WeakPolarHBondContact O-CB 3.33Å; D88-M92 WeakPolarHBondContact O-CG 3.37Å; D88-M92 PolarHBondContact O-N 3.38Å
89	Q	82.3	Confident	83.2	Confident	99 Å²	99	71.8 Å²	71.8	46%	0.463	37%	0.367	S	S	.	.	H	α-helix	trans	-60.3	-47	176.4	-75.7	167.2	63.6	0	0	112.4	S85 K86 M92 M93	S85-Q89 WeakPolarHBondContact O-CG 3.36Å; S85-Q89 PolarHBondContact O-N 3.33Å; S85-Q89 PolarHBondContact O-NE2 2.87Å; S85-Q89 PolarHBondContact OG-NE2 3.4Å; K86-Q89 PolarHBondContact O-N 2.85Å; Q89-M92 PolarHBondContact O-N 2.99Å; Q89-M93 WeakPolarHBondContact O-CG 3.44Å; Q89-M93 PolarHBondContact O-N 2.83Å
90	Y	83.5	Confident	82	Confident	75 Å²	75	73.3 Å²	73.3	29%	0.294	38%	0.378	S	S	.	.	H	α-helix	trans	-66.7	-38.2	178.3	-84.6	-112.2	0	0	0	111.6	M1 I9 L13 K86 L87 M93 V94	M1-Y90 HydrophobicContact CE-CD1 3.83Å; M1-Y90 HydrophobicContact CE-CE1 3.59Å; M1-Y90 HydrophobicContact SD-CD1 4.1Å; M1-Y90 HydrophobicContact SD-CE1 3.7Å; I9-Y90 HydrophobicContact CB-CD1 4.27Å; I9-Y90 HydrophobicContact CB-CE1 4.24Å; I9-Y90 HydrophobicContact CD1-CE1 3.87Å; I9-Y90 HydrophobicContact CG2-CD1 3.67Å; I9-Y90 HydrophobicContact CG2-CE1 3.58Å; I9-Y90 HydrophobicContact CG2-CG 4.48Å; L13-Y90 HydrophobicContact CD1-CD1 4.43Å; L13-Y90 HydrophobicContact CD1-CD2 4.12Å; L13-Y90 HydrophobicContact CD1-CG 3.98Å; K86-Y90 VanDerWaalsContact O-CD2 3.25Å; K86-Y90 WeakPolarHBondContact O-CD2 3.26Å; K86-Y90 PolarHBondContact O-N 3.49Å; L87-Y90 PolarHBondContact O-N 3.33Å; Y90-M93 PolarHBondContact O-N 2.86Å; Y90-V94 WeakPolarHBondContact O-CG2 3.28Å; Y90-V94 PolarHBondContact O-N 3.06Å
91	T	85.1	Confident	80.5	Confident	59 Å²	59	76.8 Å²	76.8	36%	0.362	40%	0.403	S	S	.	.	H	α-helix	trans	-65.3	-45.6	175.9	-56.1	0	0	0	0	111.2	L87 D88 M93 V94 T95	L87-T91 VanDerWaalsContact O-CB 3.3Å; L87-T91 WeakPolarHBondContact O-CB 3.23Å; L87-T91 PolarHBondContact O-N 3.06Å; L87-T91 PolarHBondContact O-OG1 3.47Å; D88-T91 PolarHBondContact O-N 3.43Å; T91-M93 VanDerWaalsContact C-N 3.32Å; T91-M93 PolarHBondContact O-N 2.93Å; T91-V94 PolarHBondContact O-N 2.85Å; T91-T95 PolarHBondContact O-N 3.13Å; T91-T95 PolarHBondContact O-OG1 3.36Å
92	M	80.1	Confident	78.8	Confident	133 Å²	133	76.3 Å²	76.3	66%	0.655	41%	0.41	S	S	*	.	H	α-helix	trans	-60.9	-39.1	173.7	-76	-163.7	74.6	0	0	112.4	D88 Q89 T95 T96	D88-M92 WeakPolarHBondContact O-CB 3.33Å; D88-M92 WeakPolarHBondContact O-CG 3.37Å; D88-M92 PolarHBondContact O-N 3.38Å; Q89-M92 PolarHBondContact O-N 2.99Å; M92-T95 PolarHBondContact O-N 3.31Å; M92-T96 WeakPolarHBondContact O-CB 3.46Å; M92-T96 PolarHBondContact O-N 2.82Å; M92-T96 PolarHBondContact O-OG1 3.33Å
93	M	77.1	Confident	77	Confident	97 Å²	97	78.5 Å²	78.5	48%	0.478	42%	0.422	S	S	.	.	H	α-helix	trans	-62.1	-42.8	174.8	-76.1	179.2	66.9	0	0	112	M1 Q89 Y90 T91 T96 V97	M1-M93 HydrophobicContact CG-CE 4.39Å; M1-M93 HydrophobicContact SD-CE 3.97Å; Q89-M93 WeakPolarHBondContact O-CG 3.44Å; Q89-M93 PolarHBondContact O-N 2.83Å; Y90-M93 PolarHBondContact O-N 2.86Å; T91-M93 VanDerWaalsContact C-N 3.32Å; T91-M93 PolarHBondContact O-N 2.93Å; M93-T96 PolarHBondContact O-N 2.98Å; M93-V97 WeakPolarHBondContact O-CG2 3.17Å; M93-V97 PolarHBondContact O-N 2.84Å
94	V	79.7	Confident	74.7	Confident	32 Å²	32	79.1 Å²	79.1	19%	0.194	44%	0.444	C	S	.	.	H	α-helix	trans	-62.7	-50.9	174.6	171.7	0	0	0	0	111.2	A6 I10 Y90 T91 T96 V97 L98	A6-V94 HydrophobicContact CB-CG2 3.22Å; I10-V94 HydrophobicContact CD1-CG2 3.82Å; Y90-V94 WeakPolarHBondContact O-CG2 3.28Å; Y90-V94 PolarHBondContact O-N 3.06Å; T91-V94 PolarHBondContact O-N 2.85Å; V94-T96 PolarHBondContact O-N 3.38Å; V94-V97 PolarHBondContact O-N 3.48Å; V94-V97 VanDerWaalsContact O-N 3.1Å; V94-L98 HydrophobicContact CG1-CD1 3.73Å; V94-L98 HydrophobicContact CG1-CG 4.19Å; V94-L98 WeakPolarHBondContact O-CG 3.3Å; V94-L98 PolarHBondContact O-N 2.96Å
95	T	79.5	Confident	72.2	Confident	66 Å²	66	80.7 Å²	80.7	41%	0.405	46%	0.462	S	S	.	.	H	α-helix	trans	-58.7	-36.9	178.9	-58.8	0	0	0	0	111.9	T91 M92 N99	T91-T95 PolarHBondContact O-N 3.13Å; T91-T95 PolarHBondContact O-OG1 3.36Å; M92-T95 PolarHBondContact O-N 3.31Å; T95-N99 VanDerWaalsContact O-CB 3.26Å; T95-N99 WeakPolarHBondContact O-CB 3.37Å; T95-N99 PolarHBondContact O-N 3.39Å; T95-N99 PolarHBondContact O-ND2 2.86Å
96	T	77.1	Confident	69.7	Low	72 Å²	72	85 Å²	85	44%	0.442	49%	0.487	S	S	.	.	H	α-helix	trans	-69	-41.7	175.9	-56.9	0	0	0	0	112	M92 M93 V94 N100	M92-T96 WeakPolarHBondContact O-CB 3.46Å; M92-T96 PolarHBondContact O-N 2.82Å; M92-T96 PolarHBondContact O-OG1 3.33Å; M93-T96 PolarHBondContact O-N 2.98Å; V94-T96 PolarHBondContact O-N 3.38Å; T96-N100 VanDerWaalsContact O-CB 3.31Å; T96-N100 WeakPolarHBondContact O-CB 3.49Å; T96-N100 PolarHBondContact O-N 3.23Å; T96-N100 PolarHBondContact O-ND2 3.2Å
97	V	73.6	Confident	67.1	Low	62 Å²	62	89.7 Å²	89.7	38%	0.376	51%	0.514	S	S	.	.	H	α-helix	trans	-64.2	-46.8	176	170.1	0	0	0	0	110.9	V3 M93 V94 N100 S101	V3-V97 HydrophobicContact CG2-CG1 3.83Å; M93-V97 WeakPolarHBondContact O-CG2 3.17Å; M93-V97 PolarHBondContact O-N 2.84Å; V94-V97 PolarHBondContact O-N 3.48Å; V94-V97 VanDerWaalsContact O-N 3.1Å; V97-N100 PolarHBondContact O-N 3.16Å; V97-S101 PolarHBondContact O-N 2.87Å; V97-S101 PolarHBondContact O-OG 2.9Å
98	L	73.6	Confident	64.2	Low	86 Å²	86	92 Å²	92	45%	0.45	54%	0.543	S	S	.	.	H	α-helix	trans	-60.7	-49.4	177.6	-67.7	174.2	0	0	0	111.7	V94 N100 S101 S102	V94-L98 HydrophobicContact CG1-CD1 3.73Å; V94-L98 HydrophobicContact CG1-CG 4.19Å; V94-L98 WeakPolarHBondContact O-CG 3.3Å; V94-L98 PolarHBondContact O-N 2.96Å; L98-N100 VanDerWaalsContact C-N 3.28Å; L98-N100 PolarHBondContact O-N 3.1Å; L98-S101 WeakPolarHBondContact O-CB 3.37Å; L98-S101 PolarHBondContact O-N 2.87Å; L98-S102 PolarHBondContact O-N 2.93Å; L98-S102 PolarHBondContact O-OG 3.38Å; L98-S102 VanDerWaalsContact O-OG 3.09Å
99	N	73.1	Confident	61.7	Low	88 Å²	88	92.7 Å²	92.7	47%	0.471	56%	0.555	S	S	.	*	H	α-helix	trans	-62.9	-33.4	179.2	-71.8	-10.8	0	0	0	112.8	T95 S102 N103	T95-N99 VanDerWaalsContact O-CB 3.26Å; T95-N99 WeakPolarHBondContact O-CB 3.37Å; T95-N99 PolarHBondContact O-N 3.39Å; T95-N99 PolarHBondContact O-ND2 2.86Å; N99-S102 PolarHBondContact O-N 3.06Å; N99-N103 PolarHBondContact O-N 2.8Å; N99-N103 PolarHBondContact O-ND2 3.04Å
100	N	63.9	Low	59.3	Low	116 Å²	116	95.3 Å²	95.3	62%	0.62	57%	0.573	S	S	*	*	H	α-helix	trans	-72.6	-28.9	174.7	-73.1	-18.1	0	0	0	112.7	T96 V97 L98	T96-N100 VanDerWaalsContact O-CB 3.31Å; T96-N100 WeakPolarHBondContact O-CB 3.49Å; T96-N100 PolarHBondContact O-N 3.23Å; T96-N100 PolarHBondContact O-ND2 3.2Å; V97-N100 PolarHBondContact O-N 3.16Å; L98-N100 VanDerWaalsContact C-N 3.28Å; L98-N100 PolarHBondContact O-N 3.1Å
101	S	58.9	Low	56.8	Low	87 Å²	87	98 Å²	98	61%	0.608	60%	0.596	S	S	*	*	H	α-helix	trans	-71.2	-39.4	169.9	-62.3	0	0	0	0	112.4	V97 L98 N103 G104	V97-S101 PolarHBondContact O-N 2.87Å; V97-S101 PolarHBondContact O-OG 2.9Å; L98-S101 WeakPolarHBondContact O-CB 3.37Å; L98-S101 PolarHBondContact O-N 2.87Å; S101-N103 VanDerWaalsContact C-N 3.29Å; S101-N103 PolarHBondContact O-N 2.84Å; S101-G104 PolarHBondContact O-N 2.87Å
102	S	52.9	Low	54.1	Low	82 Å²	82	102.6 Å²	102.6	57%	0.573	62%	0.619	S	S	*	*	H	α-helix	trans	-63.6	-28.1	-178.1	-58.6	0	0	0	0	114.6	L98 N99 G104	L98-S102 PolarHBondContact O-N 2.93Å; L98-S102 PolarHBondContact O-OG 3.38Å; L98-S102 VanDerWaalsContact O-OG 3.09Å; N99-S102 PolarHBondContact O-N 3.06Å; S102-G104 VanDerWaalsContact C-N 3.3Å; S102-G104 PolarHBondContact O-N 2.86Å
103	N	48.7	Very low	51.7	Low	140 Å²	140	103 Å²	103	75%	0.749	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	8.2	-175	-70.8	-33.2	0	0	0	114.3	N99 S101	N99-N103 PolarHBondContact O-N 2.8Å; N99-N103 PolarHBondContact O-ND2 3.04Å; S101-N103 VanDerWaalsContact C-N 3.29Å; S101-N103 PolarHBondContact O-N 2.84Å
104	G	40.7	Very low	49.5	Very low	64 Å²	64	107 Å²	107	66%	0.66	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-18.3	-174.4	0	0	0	0	0	116.6	S101 S102	S101-G104 PolarHBondContact O-N 2.87Å; S102-G104 VanDerWaalsContact C-N 3.3Å; S102-G104 PolarHBondContact O-N 2.86Å
105	T	37.8	Very low	46.9	Very low	126 Å²	126	110 Å²	110	77%	0.773	67%	0.669	S	S	*	*			trans	-138	123.6	-171.2	48.2	0	0	0	0	112.8
106	T	32.6	Very low	44.4	Very low	125 Å²	125	113.6 Å²	113.6	77%	0.767	69%	0.685	S	S	*	*			trans	-76.2	168.7	167.5	46.3	0	0	0	0	111.8
107	N	33.1	Very low	42.2	Very low	157 Å²	157	117 Å²	117	84%	0.84	70%	0.701	S	S	*	*			trans	77.7	82.4	171.3	-52.9	-19.3	0	0	0	117.7
108	G	29.4	Very low	40.3	Very low	68 Å²	68	119.7 Å²	119.7	70%	0.701	71%	0.713	S	S	*	*				97.8	141	108.4	0	0	0	0	0	119.5
109	S	33.4	Very low	38.2	Very low	112 Å²	112	122.6 Å²	122.6	78%	0.783	73%	0.729	S	S	*	*			trans	60.6	124.6	163.4	53.4	0	0	0	0	119.6
110	N	30.9	Very low	36.1	Very low	155 Å²	155	122 Å²	122	83%	0.829	74%	0.744	S	S	*	*			trans	47.8	107.8	150.1	-58.1	-12.8	0	0	0	118.8
111	V	32.1	Very low	34.3	Very low	130 Å²	130	123.9 Å²	123.9	79%	0.788	75%	0.754	S	S	*	*				-148.7	115	90.7	176.3	0	0	0	0	109.6	N113	V111-N113 HydrophobicContact CG1-CB 4.46Å
112	N	28.7	Very low	33	Very low	157 Å²	157	127 Å²	127	84%	0.84	76%	0.764	S	S	*	*			trans	-93.5	116.2	150.5	-78.5	-20.8	0	0	0	106.6
113	N	29.5	Very low	31.7	Very low	142 Å²	142	127.3 Å²	127.3	76%	0.759	77%	0.766	S	S	*	*			trans	169.4	98	156.4	-92.6	-16.3	0	0	0	110.4	V111	V111-N113 HydrophobicContact CG1-CB 4.46Å
114	L	29.7	Very low	30.6	Very low	179 Å²	179	127.4 Å²	127.4	94%	0.937	77%	0.765	S	S	*	*			trans	-173.2	48.2	147.5	-105.3	160.9	0	0	0	111
115	S	26.3	Very low	29.8	Very low	96 Å²	96	130 Å²	130	67%	0.671	76%	0.764	S	S	*	*			trans	-86.2	161.5	153.4	49.5	0	0	0	0	109.5
116	N	27.5	Very low	29.3	Very low	141 Å²	141	131.7 Å²	131.7	75%	0.754	77%	0.767	S	S	*	*			trans	59.9	86.6	167.2	-58.8	6.3	0	0	0	117.1
117	N	30.9	Very low	28.8	Very low	145 Å²	145	130.8 Å²	130.8	78%	0.775	76%	0.762	S	S	*	*				-140.4	109.9	125.4	-88	-54.7	0	0	0	105.7
118	N	32.1	Very low	28.6	Very low	117 Å²	117	130.5 Å²	130.5	63%	0.626	76%	0.759	S	S	*	*				74.2	134.8	83.8	-68.5	-12.5	0	0	0	112.6
119	N	30	Very low	28.3	Very low	148 Å²	148	129.8 Å²	129.8	79%	0.791	75%	0.752	S	S	*	*			cis	-160.9	140.1	-22	-100.2	-23.8	0	0	0	105.5
120	G	29.1	Very low	27.9	Very low	76 Å²	76	131.1 Å²	131.1	78%	0.784	76%	0.762	S	S	*	*			trans	170.1	54.9	-172.5	0	0	0	0	0	114.1	D122	G120-D122 PolarHBondContact O-N 2.54Å; G120-D122 VanDerWaalsContact O-N 3.16Å
121	D	26.5	Very low	27.6	Very low	154 Å²	154	128.8 Å²	128.8	82%	0.824	75%	0.753	S	S	*	*			trans	-70.3	102	167.2	-77.6	-58.7	0	0	0	109.9
122	D	30.8	Very low	27.3	Very low	152 Å²	152	132.5 Å²	132.5	81%	0.813	76%	0.759	S	S	*	*			trans	-117.5	79.6	153	-111.7	-40.5	0	0	0	108.3	G120 I124	G120-D122 PolarHBondContact O-N 2.54Å; G120-D122 VanDerWaalsContact O-N 3.16Å; D122-I124 PolarHBondContact O-N 2.92Å
123	S	25.3	Very low	27	Very low	89 Å²	89	131.5 Å²	131.5	62%	0.622	75%	0.752	S	S	*	*			trans	-75.1	73.9	-178.2	58.6	0	0	0	0	111.1	N125	S123-N125 PolarHBondContact O-N 2.99Å; S123-N125 PolarHBondContact O-ND2 3.15Å
124	I	27.5	Very low	26.7	Very low	142 Å²	142	129.9 Å²	129.9	73%	0.728	75%	0.75	S	S	*	*			trans	-65.2	89.6	166.3	-57.7	-177.9	0	0	0	107.9	D122 L126	D122-I124 PolarHBondContact O-N 2.92Å; I124-L126 VanDerWaalsContact C-N 3.33Å; I124-L126 PolarHBondContact O-N 3.47Å
125	N	23.6	Very low	26.6	Very low	118 Å²	118	129.3 Å²	129.3	63%	0.631	75%	0.746	S	S	*	*			trans	-63.8	90	173.4	-86.4	-74.5	0	0	0	109.7	S123 T127	S123-N125 PolarHBondContact O-N 2.99Å; S123-N125 PolarHBondContact O-ND2 3.15Å; N125-T127 PolarHBondContact O-N 2.84Å; N125-T127 PolarHBondContact OD1-OG1 2.99Å
126	L	26.3	Very low	26.6	Very low	162 Å²	162	128.9 Å²	128.9	85%	0.848	74%	0.739	S	S	*	*			trans	-73	48.2	158.7	-75.3	173.1	0	0	0	111	I124 L128	I124-L126 VanDerWaalsContact C-N 3.33Å; I124-L126 PolarHBondContact O-N 3.47Å; L126-L128 PolarHBondContact O-N 3.1Å
127	T	23.3	Very low	26.6	Very low	107 Å²	107	126 Å²	126	66%	0.656	74%	0.735	S	S	*	*			trans	-93.8	48.7	172.6	-47.1	0	0	0	0	109	N125	N125-T127 PolarHBondContact O-N 2.84Å; N125-T127 PolarHBondContact OD1-OG1 2.99Å
128	L	28.2	Very low	26.4	Very low	150 Å²	150	124.2 Å²	124.2	79%	0.785	73%	0.734	S	S	*	*			trans	-90.9	96	157.9	-108.4	71.8	0	0	0	107.2	L126	L126-L128 PolarHBondContact O-N 3.1Å
129	G	23.4	Very low	26.2	Very low	54 Å²	54	121 Å²	121	56%	0.557	72%	0.72	S	S	*	*			trans	-70.4	-173.5	178.4	0	0	0	0	0	113	T131	G129-T131 VanDerWaalsContact C-N 3.28Å; G129-T131 PolarHBondContact O-N 2.91Å
130	S	24.8	Very low	26.3	Very low	140 Å²	140	121 Å²	121	98%	0.979	72%	0.716	S	S	*	*	S	Bend	trans	-61.2	75.1	-177.3	-52.5	0	0	0	0	114.7
131	T	24.1	Very low	26.3	Very low	105 Å²	105	121.9 Å²	121.9	64%	0.644	71%	0.71	S	S	*	*			trans	-106.2	130.7	164.9	51.5	0	0	0	0	109.2	G129 L133	G129-T131 VanDerWaalsContact C-N 3.28Å; G129-T131 PolarHBondContact O-N 2.91Å; T131-L133 PolarHBondContact O-N 3.17Å
132	K	25.1	Very low	26.4	Very low	209 Å²	209	120.8 Å²	120.8	91%	0.909	71%	0.711	S	S	*	*			trans	-69.8	94.9	175.5	-68.7	176.6	178	177.5	0	109.2
133	L	24	Very low	26.5	Very low	135 Å²	135	119.1 Å²	119.1	71%	0.707	71%	0.711	S	S	*	*			trans	-71.1	124.9	156.4	-67.7	177.5	0	0	0	107.6	T131 I135	T131-L133 PolarHBondContact O-N 3.17Å; L133-I135 PolarHBondContact O-N 3.14Å; L133-I135 VanDerWaalsContact O-N 3.16Å
134	P	22.7	Very low	26.5	Very low	108 Å²	108	122.8 Å²	122.8	70%	0.701	72%	0.723	S	S	*	*			trans	-73.9	111.3	-173.4	28.5	-33.2	0	0	0	110.2	V136	P134-V136 PolarHBondContact O-N 2.88Å; P134-V136 VanDerWaalsContact O-N 3.12Å
135	I	27.6	Very low	26.6	Very low	167 Å²	167	121.8 Å²	121.8	86%	0.856	73%	0.726	S	S	*	*			trans	-57.7	117.4	152.3	-63.4	176.6	0	0	0	105.5	L133 A137	L133-I135 PolarHBondContact O-N 3.14Å; L133-I135 VanDerWaalsContact O-N 3.16Å; I135-A137 PolarHBondContact O-N 3.01Å
136	V	26.9	Very low	26.8	Very low	87 Å²	87	121.1 Å²	121.1	53%	0.527	73%	0.73	S	S	.	*			trans	-66.9	97.7	-170.5	178.4	0	0	0	0	109.5	P134 S138	P134-V136 PolarHBondContact O-N 2.88Å; P134-V136 VanDerWaalsContact O-N 3.12Å; V136-S138 PolarHBondContact O-N 2.74Å
137	A	26.7	Very low	26.9	Very low	80 Å²	80	119.7 Å²	119.7	66%	0.661	73%	0.728	S	S	*	*			trans	-65.9	112.4	163	0	0	0	0	0	107.5	I135 S139	I135-A137 PolarHBondContact O-N 3.01Å; A137-S139 VanDerWaalsContact C-N 3.26Å; A137-S139 PolarHBondContact O-N 2.6Å
138	S	26.1	Very low	27.2	Very low	109 Å²	109	121.7 Å²	121.7	76%	0.762	73%	0.734	S	S	*	*	S	Bend	trans	-77.2	71.6	-174.5	47.8	0	0	0	0	112.5	V136	V136-S138 PolarHBondContact O-N 2.74Å
139	S	28.3	Very low	27.1	Very low	48 Å²	48	121.6 Å²	121.6	34%	0.336	73%	0.733	S	S	.	*			trans	-175.9	-179.3	142.5	27.4	0	0	0	0	111.2	A137 F359	A137-S139 VanDerWaalsContact C-N 3.26Å; A137-S139 PolarHBondContact O-N 2.6Å; S139-F359 VanDerWaalsContact O-CE2 3.32Å; S139-F359 WeakPolarHBondContact O-CE2 3.34Å; S139-F359 VanDerWaalsContact OG-CD2 3.23Å; S139-F359 WeakPolarHBondContact OG-CD2 3.43Å; S139-F359 WeakPolarHBondContact OG-CE1 3.48Å; S139-F359 WeakPolarHBondContact OG-CE2 3.18Å; S139-F359 WeakPolarHBondContact OG-CG 3.35Å; S139-F359 VanDerWaalsContact OG-CZ 3.23Å; S139-F359 WeakPolarHBondContact OG-CZ 3.31Å
140	Q	31.6	Very low	27.5	Very low	150 Å²	150	124 Å²	124	70%	0.701	74%	0.742	S	S	*	*	S	Bend	trans	68.8	129.5	-167	-102.8	162	91.8	0	0	114.1	F359	Q140-F359 HydrophobicContact CB-CD2 3.68Å; Q140-F359 HydrophobicContact CB-CE2 3.84Å; Q140-F359 HydrophobicContact CG-CD2 3.65Å; Q140-F359 HydrophobicContact CG-CE2 4.21Å
141	S	29.9	Very low	27.7	Very low	94 Å²	94	122.4 Å²	122.4	66%	0.657	73%	0.731	S	S	*	*			trans	-85	154.2	-171.5	37.5	0	0	0	0	112.6
142	P	28	Very low	28	Very low	131 Å²	131	122.6 Å²	122.6	85%	0.851	73%	0.732	S	S	*	*			trans	-78.9	141.4	-179.7	32.1	-34.7	0	0	0	112.2
143	S	32.3	Very low	28.2	Very low	117 Å²	117	119.6 Å²	119.6	82%	0.818	73%	0.726	S	S	*	*			trans	-114.3	147.3	163.2	55.2	0	0	0	0	110.4
144	L	26.8	Very low	28.5	Very low	165 Å²	165	118.1 Å²	118.1	86%	0.864	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-77.5	139.6	-163.1	-70.8	155.4	0	0	0	113.7
145	P	28.5	Very low	28.9	Very low	122 Å²	122	118.7 Å²	118.7	79%	0.792	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-82.2	133.3	156.5	33.3	-30.1	0	0	0	110.6
146	S	29.2	Very low	29	Very low	103 Å²	103	118.9 Å²	118.9	72%	0.72	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-103.7	171.7	174.5	-61.4	0	0	0	0	111.1
147	V	28.6	Very low	29	Very low	132 Å²	132	122.5 Å²	122.5	80%	0.8	74%	0.742	S	S	*	*			trans	75.2	126	166	177.6	0	0	0	0	113.4
148	L	29	Very low	28.9	Very low	149 Å²	149	124.9 Å²	124.9	78%	0.78	74%	0.743	S	S	*	*			cis	-149.7	177.4	7.2	-126.2	167.8	0	0	0	112.6
149	L	26.4	Very low	28.9	Very low	149 Å²	149	125.1 Å²	125.1	78%	0.78	74%	0.736	S	S	*	*			trans	-63.9	157.8	-178.2	-87.3	73	0	0	0	113.5
150	S	30	Very low	28.8	Very low	104 Å²	104	128.3 Å²	128.3	73%	0.727	75%	0.749	S	S	*	*				-176.5	149.1	69.9	39.9	0	0	0	0	116.3
151	S	30.3	Very low	28.8	Very low	107 Å²	107	125.6 Å²	125.6	75%	0.748	75%	0.747	S	S	*	*			trans	65.2	137.4	147.1	-59	0	0	0	0	120.3
152	T	29.1	Very low	28.8	Very low	109 Å²	109	126.1 Å²	126.1	67%	0.669	75%	0.75	S	S	*	*			cis	-165.5	153.9	-5.4	11.4	0	0	0	0	110.3
153	N	30.8	Very low	28.9	Very low	146 Å²	146	125.2 Å²	125.2	78%	0.781	75%	0.747	S	S	*	*			trans	67.7	136.9	152.5	-62.2	-1.8	0	0	0	118.6
154	S	29.9	Very low	28.7	Very low	104 Å²	104	128.1 Å²	128.1	73%	0.727	75%	0.753	S	S	*	*			cis	-154.2	149.1	-6.9	-81.4	0	0	0	0	111.2
155	P	31.4	Very low	28.8	Very low	120 Å²	120	123.4 Å²	123.4	78%	0.779	74%	0.744	S	S	*	*			trans	-107.7	144.5	177	38.1	-31.1	0	0	0	114.8
156	I	29	Very low	28.7	Very low	170 Å²	170	123.4 Å²	123.4	87%	0.872	74%	0.742	S	S	*	*			trans	-148.5	110.7	163.2	-58.3	179	0	0	0	103.5
157	Q	26.2	Very low	28.5	Very low	163 Å²	163	125 Å²	125	76%	0.762	74%	0.742	S	S	*	*			cis	77.3	127	31.6	-135.4	-153.6	10.6	0	0	114.7
158	L	26	Very low	28.3	Very low	130 Å²	130	126.6 Å²	126.6	68%	0.681	74%	0.741	S	S	*	*			trans	69.9	148.2	174.3	-89.9	68.8	0	0	0	115.2
159	D	25.3	Very low	28.1	Very low	114 Å²	114	124.7 Å²	124.7	61%	0.61	74%	0.74	S	S	*	*			cis	-155.3	174.6	2.5	-144.6	-4.1	0	0	0	116.2
160	N	27.5	Very low	27.9	Very low	116 Å²	116	123 Å²	123	62%	0.62	74%	0.735	S	S	*	*			trans	28	110.3	142.2	-86.4	-54.9	0	0	0	118.5
161	S	29.8	Very low	27.7	Very low	93 Å²	93	124.4 Å²	124.4	65%	0.65	74%	0.735	S	S	*	*				79.1	148.7	76.1	83.7	0	0	0	0	115.6
162	S	30	Very low	27.4	Very low	104 Å²	104	126.2 Å²	126.2	73%	0.727	74%	0.736	S	S	*	*				155	-169.5	120	62	0	0	0	0	111.2
163	S	31.3	Very low	27.4	Very low	112 Å²	112	126.7 Å²	126.7	78%	0.783	74%	0.739	S	S	*	*			trans	53.9	79.6	-171.9	56.7	0	0	0	0	113.8
164	L	28.7	Very low	27.2	Very low	178 Å²	178	125 Å²	125	93%	0.932	74%	0.738	S	S	*	*			cis	64.3	114	30.8	-160.9	89.7	0	0	0	113.9
165	G	29.1	Very low	27.2	Very low	66 Å²	66	125.4 Å²	125.4	68%	0.68	74%	0.741	S	S	*	*			trans	154.2	147.1	163	0	0	0	0	0	113.9
166	T	26.5	Very low	27.3	Very low	123 Å²	123	129.1 Å²	129.1	76%	0.755	75%	0.748	S	S	*	*			cis	-162.8	126.1	-3.3	-86.7	0	0	0	0	109.8
167	L	24.7	Very low	27.2	Very low	136 Å²	136	129.5 Å²	129.5	71%	0.712	74%	0.744	S	S	*	*			trans	55.8	127.4	156.3	-56.9	172.4	0	0	0	118.7
168	Q	24.1	Very low	27.5	Very low	166 Å²	166	131.6 Å²	131.6	78%	0.776	75%	0.75	S	S	*	*				62.4	113.3	62.8	-62.6	-179.4	-3.1	0	0	114.9
169	S	23.6	Very low	27.7	Very low	109 Å²	109	131.4 Å²	131.4	76%	0.762	75%	0.75	S	S	*	*				166.2	160.1	100.2	54.4	0	0	0	0	115
170	V	24	Very low	27.8	Very low	113 Å²	113	132 Å²	132	69%	0.685	76%	0.758	S	S	*	*			trans	47.6	117	158.5	-67.3	0	0	0	0	123.2
171	N	24.6	Very low	28.1	Very low	134 Å²	134	134.9 Å²	134.9	72%	0.717	77%	0.767	S	S	*	*				50.1	113.7	124.1	-48.1	-7.9	0	0	0	120.4
172	N	25.4	Very low	28.1	Very low	144 Å²	144	135.8 Å²	135.8	77%	0.77	77%	0.77	S	S	*	*				-176.9	136.9	96.2	-93	-29.7	0	0	0	114.8
173	T	27	Very low	28.2	Very low	120 Å²	120	137 Å²	137	74%	0.736	77%	0.774	S	S	*	*			trans	29.4	130.8	146.6	61.7	0	0	0	0	122.8
174	S	28.1	Very low	28.5	Very low	110 Å²	110	138.2 Å²	138.2	77%	0.769	78%	0.777	S	S	*	*			trans	89.9	136	147.9	-51.8	0	0	0	0	119.9
175	S	29.8	Very low	29.7	Very low	113 Å²	113	136.2 Å²	136.2	79%	0.79	77%	0.772	S	S	*	*			trans	8.3	139.7	152.2	55.2	0	0	0	0	119.8
176	E	33.8	Very low	31.6	Very low	198 Å²	198	139 Å²	139	93%	0.925	77%	0.765	S	S	*	*			cis	-155.9	169.3	25.4	-158	168.3	-161.7	0	0	111.5
177	F	27.2	Very low	34.4	Very low	178 Å²	178	135.4 Å²	135.4	78%	0.781	74%	0.741	S	S	*	*			trans	-134	115	-160.1	-144.7	-81.2	0	0	0	115.6	L179	F177-L179 HydrophobicContact CD1-CD1 4.09Å; F177-L179 HydrophobicContact CE1-CD1 3.52Å; F177-L179 HydrophobicContact CZ-CD1 4.22Å
178	K	32.5	Very low	37.2	Very low	206 Å²	206	136 Å²	136	90%	0.896	73%	0.734	S	S	*	*			trans	-168.8	147.3	139.8	-109.3	162.5	-174.7	174.9	0	113
179	L	30.2	Very low	40.3	Very low	127 Å²	127	128.2 Å²	128.2	67%	0.665	70%	0.698	S	S	*	*			trans	-86.4	152.4	-162	-88	64.5	0	0	0	115.2	F177	F177-L179 HydrophobicContact CD1-CD1 4.09Å; F177-L179 HydrophobicContact CE1-CD1 3.52Å; F177-L179 HydrophobicContact CZ-CD1 4.22Å
180	T	27.3	Very low	43.5	Very low	127 Å²	127	127.6 Å²	127.6	78%	0.779	68%	0.678	S	S	*	*			trans	-106.5	127.9	161.1	47.8	0	0	0	0	110.3
181	H	32.7	Very low	46.6	Very low	175 Å²	175	122.2 Å²	122.2	81%	0.81	65%	0.646	S	S	*	*			trans	-170.8	159	165.5	-88.7	-47.4	0	0	0	110.2
182	P	30.3	Very low	49.7	Very low	112 Å²	112	118.5 Å²	118.5	73%	0.727	62%	0.624	S	S	*	*			cis	-120.7	-175.6	-21.7	38.6	-24.1	0	0	0	112.1
183	T	30.8	Very low	52.6	Low	130 Å²	130	112 Å²	112	80%	0.798	59%	0.589	S	S	*	*			trans	-65.3	130.4	177.6	48	0	0	0	0	113	T185	T183-T185 PolarHBondContact O-N 3.47Å; T183-T185 VanDerWaalsContact O-N 3.13Å
184	T	39.1	Very low	54.6	Low	138 Å²	138	106.8 Å²	106.8	85%	0.847	56%	0.557	S	S	*	*			trans	-74.7	98.7	-177.6	40	0	0	0	0	113.3	K186	T184-K186 PolarHBondContact O-N 2.88Å; T184-K186 VanDerWaalsContact O-N 3.12Å
185	T	53.5	Low	56.5	Low	135 Å²	135	107.6 Å²	107.6	83%	0.828	55%	0.553	S	S	*	*			trans	-65.8	107.3	167	46.5	0	0	0	0	110.4	T183 L187	T183-T185 PolarHBondContact O-N 3.47Å; T183-T185 VanDerWaalsContact O-N 3.13Å; T185-L187 PolarHBondContact O-N 3.45Å
186	K	69.1	Low	58.3	Low	126 Å²	126	108.3 Å²	108.3	55%	0.548	56%	0.558	S	S	.	*			trans	-53.1	115.1	179.5	-72.1	156.2	157.9	-76.7	0	112.3	T184 E202	T184-K186 PolarHBondContact O-N 2.88Å; T184-K186 VanDerWaalsContact O-N 3.12Å; K186-E202 HydrophobicContact CB-CG 4.03Å; K186-E202 WeakPolarHBondContact CD-OE2 2.9Å; K186-E202 HydrophobicContact CG-CG 4.44Å; K186-E202 IonicContact NZ-OE1 2.62Å; K186-E202 PolarHBondContact NZ-OE1 3.19Å; K186-E202 IonicContact NZ-OE2 2.76Å; K186-E202 PolarHBondContact NZ-OE2 3.01Å
187	L	83.9	Confident	60.3	Low	47 Å²	47	103 Å²	103	25%	0.246	53%	0.533	C	S	.	.			trans	-65	141.2	178.3	-168.3	66.5	0	0	0	111	T185 E202 I203 E245 A248 L249	T185-L187 PolarHBondContact O-N 3.45Å; L187-E202 WeakPolarHBondContact O-CA 3.24Å; L187-I203 PolarHBondContact O-N 2.9Å; L187-E245 HydrophobicContact CD2-CG 3.93Å; L187-A248 HydrophobicContact CD1-CB 4.2Å; L187-A248 HydrophobicContact CD2-CB 3.84Å; L187-A248 HydrophobicContact CG-CB 3.82Å; L187-L249 HydrophobicContact CD1-CD2 4.28Å; L187-L249 HydrophobicContact CD2-CD2 4.38Å; L187-L249 HydrophobicContact CD2-CG 4.23Å
188	R	85.3	Confident	63.2	Low	148 Å²	148	100 Å²	100	56%	0.558	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.6	137.2	-175.1	-68.7	177.4	177.8	177.3	-1.6	112.5	L200 V201	R188-L200 HydrophobicContact CB-CD1 4.22Å; R188-L200 HydrophobicContact CB-CG 4.26Å; R188-V201 CarbonylContact C-O 3.49Å; R188-V201 VanDerWaalsContact CA-O 3.23Å; R188-V201 WeakPolarHBondContact CA-O 3.37Å
189	L	89.3	Confident	65.7	Low	2 Å²	2	90.7 Å²	90.7	1%	0.01	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135.8	175.7	-176.2	60.2	0	0	0	110.2	L200 V201 I203 A244 I247 A248 E252 L254	L189-L200 WeakPolarHBondContact O-CA 3.18Å; L189-V201 PolarHBondContact N-O 3.47Å; L189-V201 PolarHBondContact O-N 3.44Å; L189-I203 HydrophobicContact CB-CD1 3.91Å; L189-I203 HydrophobicContact CB-CG1 3.71Å; L189-I203 HydrophobicContact CD2-CD1 4.27Å; L189-A244 HydrophobicContact CD2-CB 4Å; L189-I247 HydrophobicContact CD1-CB 4.46Å; L189-I247 HydrophobicContact CD1-CG2 3.98Å; L189-A248 HydrophobicContact CB-CB 4.22Å; L189-A248 HydrophobicContact CD1-CB 4.32Å; L189-E252 WeakPolarHBondContact CD1-O 3.44Å; L189-L254 HydrophobicContact CD1-CG 4.47Å; L189-L254 HydrophobicContact CD2-CD1 3.84Å; L189-L254 HydrophobicContact CD2-CG 4.46Å; L189-L254 HydrophobicContact CG-CD1 4.49Å
190	R	90.4	Very high	68.5	Low	96 Å²	96	88.4 Å²	88.4	36%	0.362	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	133.7	169.3	-165.5	-173.5	-64.9	157.3	-4.3	109.8	F198 T199 L200 E253 L254	R190-F198 HydrophobicContact CG-CB 4.46Å; R190-F198 HydrophobicContact CG-CD2 3.93Å; R190-T199 WeakPolarHBondContact CA-O 3.35Å; R190-L200 HydrophobicContact CB-CD1 3.96Å; R190-L200 HydrophobicContact CG-CD1 4.47Å; R190-E253 HydrophobicContact CB-CB 4.44Å; R190-E253 HydrophobicContact CB-CG 4.19Å; R190-E253 WeakPolarHBondContact CD-OE1 3.48Å; R190-E253 WeakPolarHBondContact CD-OE2 3.49Å; R190-E253 IonicContact CZ-OE1 3.85Å; R190-E253 IonicContact NE-OE1 2.66Å; R190-E253 PolarHBondContact NE-OE1 3.44Å; R190-E253 IonicContact NH1-OE1 3.21Å; R190-E253 PolarHBondContact NH1-OE1 3.06Å; R190-E253 IonicContact NH1-OE2 3.19Å; R190-E253 PolarHBondContact NH1-OE2 3.19Å; R190-E253 IonicContact NH2-OE1 2.67Å; R190-E253 WeakPolarHBondContact O-CA 3.45Å; R190-L254 PolarHBondContact O-N 3.38Å
191	A	89.3	Confident	71.4	Confident	0 Å²	0	83.1 Å²	83.1	0%	0	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.2	170	0	0	0	0	0	110	F193 F198 T199 L213 L254 V256	A191-F193 HydrophobicContact CB-CD1 4.3Å; A191-F193 HydrophobicContact CB-CE1 3.8Å; A191-F198 CarbonylContact O-C 3.31Å; A191-F198 VanDerWaalsContact O-CA 3.24Å; A191-F198 WeakPolarHBondContact O-CA 3.46Å; A191-F198 WeakPolarHBondContact O-CB 3.49Å; A191-T199 HydrophobicContact CB-CG2 4.27Å; A191-T199 PolarHBondContact N-O 3.09Å; A191-T199 PolarHBondContact O-N 2.95Å; A191-L213 HydrophobicContact CB-CD1 3.88Å; A191-L213 HydrophobicContact CB-CD2 3.67Å; A191-L213 HydrophobicContact CB-CG 4.47Å; A191-L254 CarbonylContact C-O 3.56Å; A191-L254 WeakPolarHBondContact CA-O 3.46Å; A191-L254 HydrophobicContact CB-CB 4.04Å; A191-V256 HydrophobicContact CB-CG2 4.42Å
192	H	88.4	Confident	74	Confident	57 Å²	57	79 Å²	79	26%	0.264	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	140.2	167.1	-57.8	-81.1	0	0	0	108.9	Q197 E253 L254 V256	H192-Q197 CarbonylContact C-O 3.32Å; H192-Q197 WeakPolarHBondContact CA-O 3.24Å; H192-E253 IonicContact CD2-OE2 3.79Å; H192-E253 IonicContact CE1-OE2 3.01Å; H192-E253 IonicContact NE2-OE2 2.76Å; H192-E253 PolarHBondContact NE2-OE2 3.48Å; H192-L254 PolarHBondContact CD2-O 3.3Å; H192-L254 PolarHBondContact N-O 3.17Å; H192-V256 PolarHBondContact O-N 3.18Å
193	F	87	Confident	76.8	Confident	8 Å²	8	74.2 Å²	74.2	4%	0.035	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	165.7	-175.1	-71.2	-9.4	0	0	0	109.7	A191 Q197 T199 L213 K216 L217 V256	A191-F193 HydrophobicContact CB-CD1 4.3Å; A191-F193 HydrophobicContact CB-CE1 3.8Å; F193-Q197 HydrophobicContact CB-CB 4.37Å; F193-Q197 PolarHBondContact N-O 3.16Å; F193-T199 HydrophobicContact CE1-CG2 3.92Å; F193-T199 HydrophobicContact CE2-CG2 3.72Å; F193-T199 HydrophobicContact CZ-CG2 3.34Å; F193-L213 HydrophobicContact CE1-CD1 4.46Å; F193-L213 HydrophobicContact CE1-CD2 4.36Å; F193-L213 HydrophobicContact CZ-CD2 4.38Å; F193-K216 HydrophobicContact CE2-CB 4.06Å; F193-K216 HydrophobicContact CZ-CB 4.05Å; F193-L217 HydrophobicContact CD1-CD2 3.87Å; F193-L217 HydrophobicContact CD2-CD2 4Å; F193-L217 HydrophobicContact CE1-CD2 3.57Å; F193-L217 HydrophobicContact CE1-CG 4.17Å; F193-L217 HydrophobicContact CE2-CD2 3.7Å; F193-L217 HydrophobicContact CE2-CG 4.21Å; F193-L217 HydrophobicContact CG-CD2 4.08Å; F193-L217 HydrophobicContact CZ-CD2 3.46Å; F193-L217 VanDerWaalsContact CZ-CD2 3.46Å; F193-L217 HydrophobicContact CZ-CG 3.76Å; F193-V256 CarbonylContact C-O 3.49Å; F193-V256 HydrophobicContact CD1-CB 3.96Å; F193-V256 HydrophobicContact CD1-CG2 3.91Å; F193-V256 HydrophobicContact CE1-CB 4.44Å; F193-V256 HydrophobicContact CE1-CG2 3.97Å
194	P	69.5	Low	79.3	Confident	9 Å²	9	75.5 Å²	75.5	6%	0.058	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	150.9	177.9	-22	32.6	0	0	0	112.5	L227 V256 F258	P194-L227 HydrophobicContact CG-CD2 4.16Å; P194-V256 VanDerWaalsContact CD-O 3.22Å; P194-V256 WeakPolarHBondContact CD-O 3.4Å; P194-F258 HydrophobicContact CB-CD2 3.71Å; P194-F258 HydrophobicContact CB-CE2 3.32Å; P194-F258 HydrophobicContact CB-CZ 3.95Å; P194-F258 HydrophobicContact CG-CD2 3.87Å; P194-F258 HydrophobicContact CG-CE2 3.77Å; P194-F258 HydrophobicContact CG-CG 4.31Å; P194-F258 HydrophobicContact CG-CZ 4.11Å
195	N	66.3	Low	81.2	Confident	128 Å²	128	73.6 Å²	73.6	68%	0.684	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	41.7	-176.3	-40.5	-68.3	0	0	0	114.3	Q197	N195-Q197 PolarHBondContact O-N 2.75Å; N195-Q197 VanDerWaalsContact O-N 3.08Å
196	S	67.6	Low	82.6	Confident	128 Å²	128	69.7 Å²	69.7	90%	0.895	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	24.5	172.6	-53.5	0	0	0	0	115.2
197	Q	76.5	Confident	83.5	Confident	86 Å²	86	65.6 Å²	65.6	40%	0.402	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	161.2	173.5	-60	-167.5	18.6	0	0	110.6	H192 F193 N195	H192-Q197 CarbonylContact C-O 3.32Å; H192-Q197 WeakPolarHBondContact CA-O 3.24Å; F193-Q197 HydrophobicContact CB-CB 4.37Å; F193-Q197 PolarHBondContact N-O 3.16Å; N195-Q197 PolarHBondContact O-N 2.75Å; N195-Q197 VanDerWaalsContact O-N 3.08Å
198	F	87.4	Confident	83.9	Confident	116 Å²	116	66.6 Å²	66.6	51%	0.509	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	170.2	165.2	69.5	-87.4	0	0	0	111.7	R190 A191 R220	R190-F198 HydrophobicContact CG-CB 4.46Å; R190-F198 HydrophobicContact CG-CD2 3.93Å; A191-F198 CarbonylContact O-C 3.31Å; A191-F198 VanDerWaalsContact O-CA 3.24Å; A191-F198 WeakPolarHBondContact O-CA 3.46Å; A191-F198 WeakPolarHBondContact O-CB 3.49Å; F198-R220 PolarHBondContact O-NH2 3.38Å; F198-R220 VanDerWaalsContact O-NH2 3.14Å
199	T	86.5	Confident	84.1	Confident	9 Å²	9	59.6 Å²	59.6	6%	0.055	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	150	166.9	-169.8	0	0	0	0	109.8	R190 A191 F193 V201 L213 K216	R190-T199 WeakPolarHBondContact CA-O 3.35Å; A191-T199 HydrophobicContact CB-CG2 4.27Å; A191-T199 PolarHBondContact N-O 3.09Å; A191-T199 PolarHBondContact O-N 2.95Å; F193-T199 HydrophobicContact CE1-CG2 3.92Å; F193-T199 HydrophobicContact CE2-CG2 3.72Å; F193-T199 HydrophobicContact CZ-CG2 3.34Å; T199-V201 HydrophobicContact CG2-CG2 3.98Å; T199-L213 HydrophobicContact CG2-CD2 4.17Å; T199-K216 HydrophobicContact CG2-CB 4.12Å; T199-K216 HydrophobicContact CG2-CG 4.27Å; T199-K216 WeakPolarHBondContact OG1-CD 3.32Å
200	L	88.1	Confident	84.2	Confident	79 Å²	79	63 Å²	63	41%	0.414	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	134.2	164.1	-163	69.3	0	0	0	107.5	R188 L189 R190	R188-L200 HydrophobicContact CB-CD1 4.22Å; R188-L200 HydrophobicContact CB-CG 4.26Å; L189-L200 WeakPolarHBondContact O-CA 3.18Å; R190-L200 HydrophobicContact CB-CD1 3.96Å; R190-L200 HydrophobicContact CG-CD1 4.47Å
201	V	88.3	Confident	84.2	Confident	17 Å²	17	63.1 Å²	63.1	10%	0.103	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136	-178.8	-178.1	0	0	0	0	109.2	R188 L189 T199 I203 A212 L213 K216	R188-V201 CarbonylContact C-O 3.49Å; R188-V201 VanDerWaalsContact CA-O 3.23Å; R188-V201 WeakPolarHBondContact CA-O 3.37Å; L189-V201 PolarHBondContact N-O 3.47Å; L189-V201 PolarHBondContact O-N 3.44Å; T199-V201 HydrophobicContact CG2-CG2 3.98Å; V201-I203 HydrophobicContact CB-CD1 4.43Å; V201-I203 HydrophobicContact CG1-CD1 4.12Å; V201-A212 HydrophobicContact CG1-CB 4.31Å; V201-L213 HydrophobicContact CG2-CD2 4.08Å; V201-K216 HydrophobicContact CG2-CG 3.94Å
202	E	88.1	Confident	84.3	Confident	89 Å²	89	63.4 Å²	63.4	42%	0.416	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	123.9	170	-173.4	179.7	131.8	0	0	109.2	K186 L187	K186-E202 HydrophobicContact CB-CG 4.03Å; K186-E202 WeakPolarHBondContact CD-OE2 2.9Å; K186-E202 HydrophobicContact CG-CG 4.44Å; K186-E202 IonicContact NZ-OE1 2.62Å; K186-E202 PolarHBondContact NZ-OE1 3.19Å; K186-E202 IonicContact NZ-OE2 2.76Å; K186-E202 PolarHBondContact NZ-OE2 3.01Å; L187-E202 WeakPolarHBondContact O-CA 3.24Å
203	I	88.1	Confident	84.5	Confident	11 Å²	11	60.8 Å²	60.8	6%	0.056	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-97.8	132.9	-174.4	-58.8	-56.1	0	0	0	109.7	L187 L189 V201 Q207 A212 A244 E245 A248	L187-I203 PolarHBondContact O-N 2.9Å; L189-I203 HydrophobicContact CB-CD1 3.91Å; L189-I203 HydrophobicContact CB-CG1 3.71Å; L189-I203 HydrophobicContact CD2-CD1 4.27Å; V201-I203 HydrophobicContact CB-CD1 4.43Å; V201-I203 HydrophobicContact CG1-CD1 4.12Å; I203-Q207 HydrophobicContact CG2-CB 4.44Å; I203-A212 HydrophobicContact CD1-CB 3.61Å; I203-A244 HydrophobicContact CD1-CB 3.87Å; I203-A244 HydrophobicContact CG1-CB 4.38Å; I203-A244 HydrophobicContact CG2-CB 4.07Å; I203-E245 HydrophobicContact CG2-CB 4.36Å; I203-A248 HydrophobicContact CG1-CB 4.45Å
204	K	83.8	Confident	84.6	Confident	157 Å²	157	63.6 Å²	63.6	68%	0.683	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-90	151.4	166.1	-61.3	179.6	179.3	-177.5	0	109.6	G206 Q207	K204-G206 PolarHBondContact O-N 3.13Å; K204-Q207 HydrophobicContact CB-CB 4.31Å; K204-Q207 WeakPolarHBondContact O-CB 3.44Å; K204-Q207 PolarHBondContact O-N 2.72Å; K204-Q207 VanDerWaalsContact O-N 3.13Å
205	S	79.7	Confident	85.4	Confident	97 Å²	97	70.8 Å²	70.8	68%	0.678	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	136.7	178.1	-178.5	0	0	0	0	111.8	Q207 E245	S205-Q207 VanDerWaalsContact C-N 3.27Å; S205-Q207 PolarHBondContact O-N 3.45Å; S205-E245 WeakPolarHBondContact CA-OE2 3.45Å; S205-E245 WeakPolarHBondContact CB-OE1 3.49Å; S205-E245 WeakPolarHBondContact CB-OE2 3.5Å; S205-E245 PolarHBondContact OG-OE1 2.8Å; S205-E245 PolarHBondContact OG-OE2 2.88Å
206	G	81.9	Confident	86.4	Confident	54 Å²	54	69 Å²	69	56%	0.557	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	18.1	-175	0	0	0	0	0	115.9	K204 E245	K204-G206 PolarHBondContact O-N 3.13Å; G206-E245 PolarHBondContact N-OE2 3.43Å
207	Q	88.6	Confident	87.3	Confident	39 Å²	39	62.9 Å²	62.9	18%	0.182	32%	0.315	C	S	.	.			trans	-83.4	116.2	179.3	-175.3	174.7	-2.1	0	0	111.5	I203 K204 S205 H211 A244	I203-Q207 HydrophobicContact CG2-CB 4.44Å; K204-Q207 HydrophobicContact CB-CB 4.31Å; K204-Q207 WeakPolarHBondContact O-CB 3.44Å; K204-Q207 PolarHBondContact O-N 2.72Å; K204-Q207 VanDerWaalsContact O-N 3.13Å; S205-Q207 VanDerWaalsContact C-N 3.27Å; S205-Q207 PolarHBondContact O-N 3.45Å; Q207-H211 HydrophobicContact CG-CB 4.19Å; Q207-H211 PolarHBondContact NE2-O 3.03Å; Q207-A244 WeakPolarHBondContact O-CB 3.07Å; Q207-A244 PolarHBondContact O-N 2.67Å
208	Q	91.6	Very high	87.6	Confident	69 Å²	69	62.3 Å²	62.3	32%	0.322	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-61.6	148.8	175.3	-58.5	-178.6	-65.3	0	0	112.7	K210 H211 A212 E241 D242	Q208-K210 VanDerWaalsContact C-N 3.27Å; Q208-K210 PolarHBondContact O-N 2.75Å; Q208-H211 PolarHBondContact O-N 3.07Å; Q208-H211 PolarHBondContact OE1-CE1 3.19Å; Q208-H211 VanDerWaalsContact OE1-CE1 3.26Å; Q208-H211 PolarHBondContact OE1-ND1 2.99Å; Q208-A212 PolarHBondContact O-N 3.26Å; Q208-E241 WeakPolarHBondContact CG-O 3.44Å; Q208-E241 VanDerWaalsContact NE2-CA 3.35Å; Q208-E241 PolarHBondContact NE2-O 2.91Å; Q208-D242 WeakPolarHBondContact CA-O 3.48Å
209	I	90.4	Very high	87.4	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-56.5	-39.2	-178.1	-67.9	167.7	0	0	0	112.3	H211 A212 L213 V238 W240 D242 A244 I247 L254	I209-H211 PolarHBondContact O-N 3.21Å; I209-A212 PolarHBondContact O-N 2.96Å; I209-L213 HydrophobicContact CG2-CD1 3.83Å; I209-L213 HydrophobicContact CG2-CG 4.33Å; I209-L213 PolarHBondContact O-N 3Å; I209-V238 HydrophobicContact CD1-CG1 3.35Å; I209-W240 HydrophobicContact CG2-CE3 4.12Å; I209-W240 HydrophobicContact CG2-CZ3 4.25Å; I209-D242 HydrophobicContact CD1-CB 3.84Å; I209-D242 WeakPolarHBondContact CG1-O 3.44Å; I209-D242 PolarHBondContact N-O 2.87Å; I209-A244 HydrophobicContact CG1-CB 3.81Å; I209-I247 HydrophobicContact CD1-CD1 3.61Å; I209-L254 HydrophobicContact CD1-CD1 4.22Å; I209-L254 HydrophobicContact CG1-CD1 4.41Å; I209-L254 HydrophobicContact CG2-CD1 3.86Å
210	K	91.7	Very high	87	Confident	74 Å²	74	67.7 Å²	67.7	32%	0.322	34%	0.342	S	S	.	.	H	α-helix	trans	-49.3	-60	169.7	179.4	178.1	175.4	-178.1	0	111.2	Q208 A212 L213 E214 L224 W240	Q208-K210 VanDerWaalsContact C-N 3.27Å; Q208-K210 PolarHBondContact O-N 2.75Å; K210-A212 PolarHBondContact O-N 3.32Å; K210-L213 PolarHBondContact O-N 3.45Å; K210-L213 VanDerWaalsContact O-N 3.15Å; K210-E214 WeakPolarHBondContact CE-OE1 3.24Å; K210-E214 IonicContact NZ-OE1 3.95Å; K210-E214 WeakPolarHBondContact O-CB 3.4Å; K210-E214 PolarHBondContact O-N 3.14Å; K210-L224 HydrophobicContact CD-CD1 4.09Å; K210-L224 HydrophobicContact CG-CD1 3.76Å; K210-W240 HydrophobicContact CB-CB 4.29Å; K210-W240 HydrophobicContact CB-CE3 4.44Å; K210-W240 VanDerWaalsContact CB-O 3.28Å; K210-W240 WeakPolarHBondContact CB-O 3.22Å; K210-W240 PolarHBondContact N-O 3.06Å
211	H	90.4	Very high	86.5	Confident	99 Å²	99	66.3 Å²	66.3	46%	0.458	35%	0.347	S	S	.	.	H	α-helix	trans	-67.9	-16	-176.5	-58.4	129.4	0	0	0	113.5	Q207 Q208 I209	Q207-H211 HydrophobicContact CG-CB 4.19Å; Q207-H211 PolarHBondContact NE2-O 3.03Å; Q208-H211 PolarHBondContact O-N 3.07Å; Q208-H211 PolarHBondContact OE1-CE1 3.19Å; Q208-H211 VanDerWaalsContact OE1-CE1 3.26Å; Q208-H211 PolarHBondContact OE1-ND1 2.99Å; I209-H211 PolarHBondContact O-N 3.21Å
212	A	90.2	Very high	86.1	Confident	6 Å²	6	66.3 Å²	66.3	5%	0.05	35%	0.346	C	S	.	.	H	α-helix	trans	-80.1	-43.9	170.1	0	0	0	0	0	112.6	V201 I203 Q208 I209 K210 A244	V201-A212 HydrophobicContact CG1-CB 4.31Å; I203-A212 HydrophobicContact CD1-CB 3.61Å; Q208-A212 PolarHBondContact O-N 3.26Å; I209-A212 PolarHBondContact O-N 2.96Å; K210-A212 PolarHBondContact O-N 3.32Å; A212-A244 HydrophobicContact CB-CB 4.37Å
213	L	91.7	Very high	85.6	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-98.6	-27.4	-169.7	-60.7	-177.1	0	0	0	114.7	A191 F193 T199 V201 I209 K210 K215 K216 L217 W240 L254 V256	A191-L213 HydrophobicContact CB-CD1 3.88Å; A191-L213 HydrophobicContact CB-CD2 3.67Å; A191-L213 HydrophobicContact CB-CG 4.47Å; F193-L213 HydrophobicContact CE1-CD1 4.46Å; F193-L213 HydrophobicContact CE1-CD2 4.36Å; F193-L213 HydrophobicContact CZ-CD2 4.38Å; T199-L213 HydrophobicContact CG2-CD2 4.17Å; V201-L213 HydrophobicContact CG2-CD2 4.08Å; I209-L213 HydrophobicContact CG2-CD1 3.83Å; I209-L213 HydrophobicContact CG2-CG 4.33Å; I209-L213 PolarHBondContact O-N 3Å; K210-L213 PolarHBondContact O-N 3.45Å; K210-L213 VanDerWaalsContact O-N 3.15Å; L213-K215 PolarHBondContact O-N 3.42Å; L213-K216 CarbonylContact O-C 3.58Å; L213-K216 WeakPolarHBondContact O-CA 3.31Å; L213-K216 WeakPolarHBondContact O-CB 3.42Å; L213-K216 PolarHBondContact O-N 3.3Å; L213-L217 HydrophobicContact CB-CD1 3.95Å; L213-L217 HydrophobicContact CB-CG 4.42Å; L213-L217 WeakPolarHBondContact O-CG 3.38Å; L213-L217 PolarHBondContact O-N 3.5Å; L213-W240 HydrophobicContact CB-CZ3 4.38Å; L213-W240 HydrophobicContact CD1-CZ3 4.27Å; L213-L254 HydrophobicContact CD1-CD1 4.14Å; L213-V256 HydrophobicContact CD1-CG2 4.05Å
214	E	89.4	Confident	85.2	Confident	68 Å²	68	68.6 Å²	68.6	32%	0.318	36%	0.358	S	S	.	.	H	α-helix	trans	-47.2	-55.3	-175	179.2	173.8	-113.3	0	0	112.5	K210 K216 L217 S218 L224	K210-E214 WeakPolarHBondContact CE-OE1 3.24Å; K210-E214 IonicContact NZ-OE1 3.95Å; K210-E214 WeakPolarHBondContact O-CB 3.4Å; K210-E214 PolarHBondContact O-N 3.14Å; E214-K216 PolarHBondContact O-N 2.91Å; E214-K216 VanDerWaalsContact O-N 3.15Å; E214-L217 PolarHBondContact O-N 3.09Å; E214-L217 VanDerWaalsContact O-N 3.07Å; E214-S218 PolarHBondContact O-N 2.85Å; E214-S218 PolarHBondContact O-OG 2.64Å; E214-S218 VanDerWaalsContact O-OG 3.09Å; E214-L224 HydrophobicContact CB-CD1 4.22Å; E214-L224 HydrophobicContact CG-CD1 3.96Å; E214-L224 VanDerWaalsContact OE1-CD1 3.32Å; E214-L224 WeakPolarHBondContact OE1-CD1 3.29Å
215	K	86.3	Confident	84.7	Confident	159 Å²	159	70.2 Å²	70.2	69%	0.691	37%	0.367	S	S	*	.	H	α-helix	trans	-61.9	-25.9	178.2	-170.7	168.9	-177	173.3	0	113.4	L213 H219	L213-K215 PolarHBondContact O-N 3.42Å; K215-H219 PolarHBondContact O-ND1 2.96Å
216	K	87.8	Confident	84.4	Confident	90 Å²	90	70.4 Å²	70.4	39%	0.391	36%	0.358	S	S	.	.	H	α-helix	trans	-85	-23.4	177	-66.7	-69.1	-169.9	170	0	113.2	F193 T199 V201 L213 E214 R220	F193-K216 HydrophobicContact CE2-CB 4.06Å; F193-K216 HydrophobicContact CZ-CB 4.05Å; T199-K216 HydrophobicContact CG2-CB 4.12Å; T199-K216 HydrophobicContact CG2-CG 4.27Å; T199-K216 WeakPolarHBondContact OG1-CD 3.32Å; V201-K216 HydrophobicContact CG2-CG 3.94Å; L213-K216 CarbonylContact O-C 3.58Å; L213-K216 WeakPolarHBondContact O-CA 3.31Å; L213-K216 WeakPolarHBondContact O-CB 3.42Å; L213-K216 PolarHBondContact O-N 3.3Å; E214-K216 PolarHBondContact O-N 2.91Å; E214-K216 VanDerWaalsContact O-N 3.15Å; K216-R220 PolarHBondContact O-NH1 2.88Å
217	L	86.8	Confident	84.4	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-81.8	-47.1	175	-68.4	167	0	0	0	111	F193 L213 E214 H219 R220 G221 L222 L224 L227 W240 V256	F193-L217 HydrophobicContact CD1-CD2 3.87Å; F193-L217 HydrophobicContact CD2-CD2 4Å; F193-L217 HydrophobicContact CE1-CD2 3.57Å; F193-L217 HydrophobicContact CE1-CG 4.17Å; F193-L217 HydrophobicContact CE2-CD2 3.7Å; F193-L217 HydrophobicContact CE2-CG 4.21Å; F193-L217 HydrophobicContact CG-CD2 4.08Å; F193-L217 HydrophobicContact CZ-CD2 3.46Å; F193-L217 VanDerWaalsContact CZ-CD2 3.46Å; F193-L217 HydrophobicContact CZ-CG 3.76Å; L213-L217 HydrophobicContact CB-CD1 3.95Å; L213-L217 HydrophobicContact CB-CG 4.42Å; L213-L217 WeakPolarHBondContact O-CG 3.38Å; L213-L217 PolarHBondContact O-N 3.5Å; E214-L217 PolarHBondContact O-N 3.09Å; E214-L217 VanDerWaalsContact O-N 3.07Å; L217-H219 VanDerWaalsContact C-N 3.32Å; L217-H219 PolarHBondContact O-N 2.94Å; L217-R220 WeakPolarHBondContact O-CA 3.46Å; L217-R220 WeakPolarHBondContact O-CB 3.45Å; L217-R220 PolarHBondContact O-N 3.16Å; L217-G221 PolarHBondContact O-N 3.05Å; L217-L222 CarbonylContact C-O 3.6Å; L217-L222 VanDerWaalsContact C-O 3.31Å; L217-L222 HydrophobicContact CB-CB 4.17Å; L217-L222 HydrophobicContact CD2-CB 4.13Å; L217-L222 HydrophobicContact CD2-CD1 3.92Å; L217-L222 PolarHBondContact O-N 3.35Å; L217-L222 VanDerWaalsContact O-N 3.1Å; L217-L224 HydrophobicContact CD1-CD2 3.76Å; L217-L227 HydrophobicContact CD1-CD1 3.82Å; L217-L227 HydrophobicContact CD2-CD1 3.76Å; L217-L227 HydrophobicContact CG-CD1 4.27Å; L217-W240 HydrophobicContact CD1-CH2 3.77Å; L217-W240 HydrophobicContact CD1-CZ3 4.15Å; L217-V256 HydrophobicContact CD2-CG1 4.5Å
218	S	83.7	Confident	84.1	Confident	73 Å²	73	69 Å²	69	51%	0.51	34%	0.338	S	S	.	.	H	α-helix	trans	-61.8	-36	-179.9	-50.4	0	0	0	0	113.2	E214 R220 G221	E214-S218 PolarHBondContact O-N 2.85Å; E214-S218 PolarHBondContact O-OG 2.64Å; E214-S218 VanDerWaalsContact O-OG 3.09Å; S218-R220 PolarHBondContact O-N 3.41Å; S218-R220 VanDerWaalsContact O-N 3.08Å; S218-G221 PolarHBondContact O-N 3.32Å; S218-G221 VanDerWaalsContact O-N 3.11Å
219	H	82.1	Confident	83.7	Confident	148 Å²	148	65.7 Å²	65.7	69%	0.685	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-10.5	173	-82.1	91	0	0	0	114	K215 L217	K215-H219 PolarHBondContact O-ND1 2.96Å; L217-H219 VanDerWaalsContact C-N 3.32Å; L217-H219 PolarHBondContact O-N 2.94Å
220	R	78	Confident	83.4	Confident	91 Å²	91	68.1 Å²	68.1	34%	0.343	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	6.3	177.8	-66.5	173.5	163.9	97.7	-11.7	113	F198 K216 L217 S218 L222	F198-R220 PolarHBondContact O-NH2 3.38Å; F198-R220 VanDerWaalsContact O-NH2 3.14Å; K216-R220 PolarHBondContact O-NH1 2.88Å; L217-R220 WeakPolarHBondContact O-CA 3.46Å; L217-R220 WeakPolarHBondContact O-CB 3.45Å; L217-R220 PolarHBondContact O-N 3.16Å; S218-R220 PolarHBondContact O-N 3.41Å; S218-R220 VanDerWaalsContact O-N 3.08Å; R220-L222 HydrophobicContact CB-CD1 4.11Å; R220-L222 HydrophobicContact CB-CG 4.04Å; R220-L222 PolarHBondContact O-N 2.73Å
221	G	78.6	Confident	83	Confident	50 Å²	50	67.4 Å²	67.4	52%	0.515	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	19.6	-173.4	0	0	0	0	0	114.1	L217 S218	L217-G221 PolarHBondContact O-N 3.05Å; S218-G221 PolarHBondContact O-N 3.32Å; S218-G221 VanDerWaalsContact O-N 3.11Å
222	L	79.1	Confident	82.4	Confident	16 Å²	16	65 Å²	65	8%	0.084	32%	0.322	C	S	.	.			trans	-98.5	123.3	178.9	-57.8	175.4	0	0	0	109.6	L217 R220 L227 F258	L217-L222 CarbonylContact C-O 3.6Å; L217-L222 VanDerWaalsContact C-O 3.31Å; L217-L222 HydrophobicContact CB-CB 4.17Å; L217-L222 HydrophobicContact CD2-CB 4.13Å; L217-L222 HydrophobicContact CD2-CD1 3.92Å; L217-L222 PolarHBondContact O-N 3.35Å; L217-L222 VanDerWaalsContact O-N 3.1Å; R220-L222 HydrophobicContact CB-CD1 4.11Å; R220-L222 HydrophobicContact CB-CG 4.04Å; R220-L222 PolarHBondContact O-N 2.73Å; L222-L227 HydrophobicContact CB-CD1 4.12Å; L222-F258 HydrophobicContact CD2-CE1 3.72Å; L222-F258 HydrophobicContact CD2-CZ 3.7Å
223	H	78.2	Confident	81.7	Confident	114 Å²	114	73.7 Å²	73.7	53%	0.528	35%	0.354	S	S	.	.			trans	-102.1	136.7	-179.3	-68.2	-97.3	0	0	0	110.9	E225 Q226 L227	H223-E225 VanDerWaalsContact C-N 3.26Å; H223-E225 PolarHBondContact O-N 2.57Å; H223-Q226 HydrophobicContact CB-CG 4.35Å; H223-Q226 WeakPolarHBondContact O-CB 3.38Å; H223-Q226 PolarHBondContact O-N 2.86Å; H223-L227 WeakPolarHBondContact O-CG 3.32Å
224	L	79.7	Confident	80.8	Confident	35 Å²	35	77.3 Å²	77.3	18%	0.183	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-53.9	-39.3	-176.3	-67.8	165.2	0	0	0	113.5	K210 E214 L217 Q226 L227 W240	K210-L224 HydrophobicContact CD-CD1 4.09Å; K210-L224 HydrophobicContact CG-CD1 3.76Å; E214-L224 HydrophobicContact CB-CD1 4.22Å; E214-L224 HydrophobicContact CG-CD1 3.96Å; E214-L224 VanDerWaalsContact OE1-CD1 3.32Å; E214-L224 WeakPolarHBondContact OE1-CD1 3.29Å; L217-L224 HydrophobicContact CD1-CD2 3.76Å; L224-Q226 PolarHBondContact O-N 3.48Å; L224-Q226 VanDerWaalsContact O-N 3.12Å; L224-L227 PolarHBondContact O-N 2.87Å; L224-L227 VanDerWaalsContact O-N 3.1Å; L224-W240 HydrophobicContact CD2-CD2 4.01Å; L224-W240 HydrophobicContact CD2-CE3 3.72Å; L224-W240 HydrophobicContact CD2-CH2 3.56Å; L224-W240 HydrophobicContact CD2-CZ2 3.85Å; L224-W240 HydrophobicContact CD2-CZ3 3.48Å; L224-W240 VanDerWaalsContact CD2-CZ3 3.48Å
225	E	73.4	Confident	79.9	Confident	190 Å²	190	76 Å²	76	89%	0.888	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-62	-17	177.9	-61.6	172.7	-172.3	0	0	114	H223	H223-E225 VanDerWaalsContact C-N 3.26Å; H223-E225 PolarHBondContact O-N 2.57Å
226	Q	73.2	Confident	79.2	Confident	101 Å²	101	73.3 Å²	73.3	47%	0.472	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-102.8	10.9	-179.6	-58.3	179.4	-14.6	0	0	112.1	H223 L224 F258 A259	H223-Q226 HydrophobicContact CB-CG 4.35Å; H223-Q226 WeakPolarHBondContact O-CB 3.38Å; H223-Q226 PolarHBondContact O-N 2.86Å; L224-Q226 PolarHBondContact O-N 3.48Å; L224-Q226 VanDerWaalsContact O-N 3.12Å; Q226-F258 CarbonylContact O-C 3.55Å; Q226-F258 WeakPolarHBondContact O-CA 3.44Å; Q226-A259 PolarHBondContact O-N 2.92Å
227	L	81.8	Confident	78.5	Confident	9 Å²	9	73.1 Å²	73.1	5%	0.047	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	146.4	-168	-61.7	170.7	0	0	0	112.6	P194 L217 L222 H223 L224 W240 V256 D257 F258	P194-L227 HydrophobicContact CG-CD2 4.16Å; L217-L227 HydrophobicContact CD1-CD1 3.82Å; L217-L227 HydrophobicContact CD2-CD1 3.76Å; L217-L227 HydrophobicContact CG-CD1 4.27Å; L222-L227 HydrophobicContact CB-CD1 4.12Å; H223-L227 WeakPolarHBondContact O-CG 3.32Å; L224-L227 PolarHBondContact O-N 2.87Å; L224-L227 VanDerWaalsContact O-N 3.1Å; L227-W240 HydrophobicContact CB-CH2 4.47Å; L227-W240 HydrophobicContact CB-CZ2 3.78Å; L227-W240 PolarHBondContact O-NE1 3.43Å; L227-V256 HydrophobicContact CB-CG1 3.93Å; L227-V256 HydrophobicContact CD1-CG1 4Å; L227-V256 HydrophobicContact CD2-CG1 4.16Å; L227-V256 HydrophobicContact CG-CG1 4.25Å; L227-D257 VanDerWaalsContact CA-O 3.3Å; L227-D257 WeakPolarHBondContact CA-O 3.32Å; L227-F258 HydrophobicContact CD2-CD1 4.06Å; L227-F258 HydrophobicContact CD2-CE1 4.43Å
228	I	81.3	Confident	78.3	Confident	54 Å²	54	73.6 Å²	73.6	28%	0.277	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	149.5	172	-177.6	159.4	0	0	0	109.7	Y230 V256 D257	I228-Y230 HydrophobicContact CB-CE2 4.43Å; I228-Y230 HydrophobicContact CD1-CE1 4.2Å; I228-Y230 HydrophobicContact CG1-CE1 4.29Å; I228-Y230 HydrophobicContact CG1-CE2 4.11Å; I228-Y230 HydrophobicContact CG2-CE2 3.64Å; I228-V256 WeakPolarHBondContact O-CA 3.43Å; I228-D257 PolarHBondContact N-O 2.8Å; I228-D257 PolarHBondContact O-N 2.88Å
229	V	84.3	Confident	78.4	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.006	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	136.3	-175.3	-171.9	0	0	0	0	110.1	P237 V238 W240 L254 I255 V256	V229-P237 CarbonylContact O-C 3.58Å; V229-P237 WeakPolarHBondContact O-CA 3.48Å; V229-V238 HydrophobicContact CB-CB 4.2Å; V229-V238 HydrophobicContact CG1-CB 3.99Å; V229-V238 HydrophobicContact CG1-CG2 4.32Å; V229-V238 PolarHBondContact O-N 2.82Å; V229-W240 HydrophobicContact CG2-CD2 3.95Å; V229-W240 HydrophobicContact CG2-CE3 3.92Å; V229-W240 HydrophobicContact CG2-CH2 3.33Å; V229-W240 HydrophobicContact CG2-CZ2 3.35Å; V229-W240 HydrophobicContact CG2-CZ3 3.63Å; V229-L254 HydrophobicContact CG1-CB 4.15Å; V229-L254 HydrophobicContact CG1-CD1 3.95Å; V229-L254 HydrophobicContact CG1-CD2 3.89Å; V229-L254 HydrophobicContact CG1-CG 4.22Å; V229-I255 CarbonylContact C-O 3.57Å; V229-I255 WeakPolarHBondContact CA-O 3.44Å; V229-V256 HydrophobicContact CG1-CG2 4.46Å; V229-V256 HydrophobicContact CG2-CG1 4.42Å; V229-V256 HydrophobicContact CG2-CG2 4.26Å
230	Y	84.1	Confident	78.7	Confident	50 Å²	50	67 Å²	67	20%	0.196	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	153.2	175	-52.1	-86.1	0	0	0	111.2	I228 L236 P237 L254 I255	I228-Y230 HydrophobicContact CB-CE2 4.43Å; I228-Y230 HydrophobicContact CD1-CE1 4.2Å; I228-Y230 HydrophobicContact CG1-CE1 4.29Å; I228-Y230 HydrophobicContact CG1-CE2 4.11Å; I228-Y230 HydrophobicContact CG2-CE2 3.64Å; Y230-L236 CarbonylContact C-O 3.56Å; Y230-L236 VanDerWaalsContact CA-O 3.3Å; Y230-L236 WeakPolarHBondContact CA-O 3.35Å; Y230-P237 HydrophobicContact CD1-CB 4.26Å; Y230-P237 HydrophobicContact CE1-CB 4.38Å; Y230-L254 CarbonylContact O-C 3.59Å; Y230-L254 WeakPolarHBondContact O-CA 3.48Å; Y230-I255 PolarHBondContact N-O 3.45Å; Y230-I255 PolarHBondContact O-N 2.94Å
231	R	82	Confident	79.2	Confident	59 Å²	59	68.2 Å²	68.2	22%	0.223	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	128.1	167.6	-79.1	162.8	-174.1	-102.3	6.5	110.8	R233 T234 G235 L236 V238 E252	R231-R233 VanDerWaalsContact C-N 3.33Å; R231-R233 PolarHBondContact O-N 3Å; R231-T234 WeakPolarHBondContact CB-OG1 3.48Å; R231-T234 WeakPolarHBondContact CD-OG1 3.4Å; R231-G235 WeakPolarHBondContact O-CA 3.49Å; R231-G235 PolarHBondContact O-N 3.28Å; R231-L236 PolarHBondContact N-O 2.92Å; R231-V238 HydrophobicContact CB-CG2 4.48Å; R231-V238 HydrophobicContact CG-CG2 3.68Å; R231-E252 WeakPolarHBondContact CB-OE1 3.35Å; R231-E252 VanDerWaalsContact CD-OE2 3.24Å; R231-E252 WeakPolarHBondContact CD-OE2 3.26Å; R231-E252 WeakPolarHBondContact CG-OE2 3.32Å; R231-E252 IonicContact CZ-OE2 3.67Å; R231-E252 IonicContact NE-OE2 3.83Å; R231-E252 IonicContact NH1-OE2 2.74Å; R231-E252 PolarHBondContact NH1-OE2 2.88Å
232	S	79.7	Confident	79.6	Confident	49 Å²	49	69 Å²	69	34%	0.343	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-19.2	-172	-172.3	0	0	0	0	115.4	E253	S232-E253 WeakPolarHBondContact CB-O 3.34Å; S232-E253 PolarHBondContact N-O 3.32Å
233	R	74.1	Confident	80	Confident	189 Å²	189	70.1 Å²	70.1	71%	0.713	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-40.3	175.5	-61.9	-179	176.6	162.1	-0.1	112.4	R231 E252	R231-R233 VanDerWaalsContact C-N 3.33Å; R231-R233 PolarHBondContact O-N 3Å; R233-E252 HydrophobicContact CB-CG 4.43Å; R233-E252 WeakPolarHBondContact CB-OE1 3.36Å; R233-E252 HydrophobicContact CG-CG 4.31Å
234	T	73.5	Confident	80.5	Confident	76 Å²	76	64.7 Å²	64.7	47%	0.466	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-16.6	-173.3	50.1	0	0	0	0	114.3	R231 L236 E252	R231-T234 WeakPolarHBondContact CB-OG1 3.48Å; R231-T234 WeakPolarHBondContact CD-OG1 3.4Å; T234-L236 PolarHBondContact O-N 3.14Å; T234-L236 VanDerWaalsContact O-N 3.1Å; T234-E252 PolarHBondContact N-OE1 3.11Å; T234-E252 PolarHBondContact OG1-OE1 3.22Å
235	G	69.8	Low	80.9	Confident	42 Å²	42	65.3 Å²	65.3	43%	0.433	33%	0.334	S	S	.	.			trans	67	2.3	-175.5	0	0	0	0	0	114.4	R231	R231-G235 WeakPolarHBondContact O-CA 3.49Å; R231-G235 PolarHBondContact O-N 3.28Å
236	L	71.4	Confident	81.4	Confident	101 Å²	101	61.8 Å²	61.8	53%	0.529	32%	0.318	S	S	.	.			trans	-70.8	139.6	-179.8	-68	171.8	0	0	0	110.3	Y230 R231 T234	Y230-L236 CarbonylContact C-O 3.56Å; Y230-L236 VanDerWaalsContact CA-O 3.3Å; Y230-L236 WeakPolarHBondContact CA-O 3.35Å; R231-L236 PolarHBondContact N-O 2.92Å; T234-L236 PolarHBondContact O-N 3.14Å; T234-L236 VanDerWaalsContact O-N 3.1Å
237	P	74.5	Confident	81.9	Confident	86 Å²	86	57.1 Å²	57.1	56%	0.558	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	154.2	174	30	-35.5	0	0	0	110.7	V229 Y230	V229-P237 CarbonylContact O-C 3.58Å; V229-P237 WeakPolarHBondContact O-CA 3.48Å; Y230-P237 HydrophobicContact CD1-CB 4.26Å; Y230-P237 HydrophobicContact CE1-CB 4.38Å
238	V	82	Confident	82	Confident	12 Å²	12	57.2 Å²	57.2	7%	0.073	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.4	-178.9	-168.2	0	0	0	0	108.4	I209 V229 R231 D242 I247 L254	I209-V238 HydrophobicContact CD1-CG1 3.35Å; V229-V238 HydrophobicContact CB-CB 4.2Å; V229-V238 HydrophobicContact CG1-CB 3.99Å; V229-V238 HydrophobicContact CG1-CG2 4.32Å; V229-V238 PolarHBondContact O-N 2.82Å; R231-V238 HydrophobicContact CB-CG2 4.48Å; R231-V238 HydrophobicContact CG-CG2 3.68Å; V238-D242 HydrophobicContact CG1-CB 3.96Å; V238-D242 VanDerWaalsContact CG1-OD2 3.25Å; V238-D242 WeakPolarHBondContact CG1-OD2 3.44Å; V238-I247 HydrophobicContact CG1-CD1 3.63Å; V238-I247 HydrophobicContact CG2-CD1 4.4Å; V238-L254 HydrophobicContact CG2-CD2 4.11Å
239	S	85.8	Confident	82.2	Confident	44 Å²	44	60.5 Å²	60.5	31%	0.308	32%	0.316	S	S	.	.			trans	-71.8	148.4	175.2	149	0	0	0	0	110.2	E241 D242	S239-E241 PolarHBondContact O-N 2.92Å; S239-E241 WeakPolarHBondContact OG-CA 3.46Å; S239-E241 VanDerWaalsContact OG-CB 3.3Å; S239-E241 WeakPolarHBondContact OG-CB 3.27Å; S239-E241 PolarHBondContact OG-N 3.17Å; S239-E241 PolarHBondContact OG-OE2 2.78Å; S239-D242 WeakPolarHBondContact CB-OD2 3.41Å; S239-D242 PolarHBondContact N-OD2 2.64Å; S239-D242 WeakPolarHBondContact O-CB 3.32Å; S239-D242 PolarHBondContact O-N 2.89Å; S239-D242 PolarHBondContact OG-N 2.96Å
240	W	88	Confident	82	Confident	37 Å²	37	65.1 Å²	65.1	14%	0.14	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-20	173.1	-76.9	113.5	0	0	0	112.1	I209 K210 L213 L217 L224 L227 V229 V256	I209-W240 HydrophobicContact CG2-CE3 4.12Å; I209-W240 HydrophobicContact CG2-CZ3 4.25Å; K210-W240 HydrophobicContact CB-CB 4.29Å; K210-W240 HydrophobicContact CB-CE3 4.44Å; K210-W240 VanDerWaalsContact CB-O 3.28Å; K210-W240 WeakPolarHBondContact CB-O 3.22Å; K210-W240 PolarHBondContact N-O 3.06Å; L213-W240 HydrophobicContact CB-CZ3 4.38Å; L213-W240 HydrophobicContact CD1-CZ3 4.27Å; L217-W240 HydrophobicContact CD1-CH2 3.77Å; L217-W240 HydrophobicContact CD1-CZ3 4.15Å; L224-W240 HydrophobicContact CD2-CD2 4.01Å; L224-W240 HydrophobicContact CD2-CE3 3.72Å; L224-W240 HydrophobicContact CD2-CH2 3.56Å; L224-W240 HydrophobicContact CD2-CZ2 3.85Å; L224-W240 HydrophobicContact CD2-CZ3 3.48Å; L224-W240 VanDerWaalsContact CD2-CZ3 3.48Å; L227-W240 HydrophobicContact CB-CH2 4.47Å; L227-W240 HydrophobicContact CB-CZ2 3.78Å; L227-W240 PolarHBondContact O-NE1 3.43Å; V229-W240 HydrophobicContact CG2-CD2 3.95Å; V229-W240 HydrophobicContact CG2-CE3 3.92Å; V229-W240 HydrophobicContact CG2-CH2 3.33Å; V229-W240 HydrophobicContact CG2-CZ2 3.35Å; V229-W240 HydrophobicContact CG2-CZ3 3.63Å; W240-V256 HydrophobicContact CH2-CG1 4.02Å; W240-V256 HydrophobicContact CZ2-CG1 4.36Å
241	E	88.1	Confident	81.7	Confident	117 Å²	117	64.7 Å²	64.7	55%	0.547	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-13.4	179.8	-56.5	63.6	-139.2	0	0	112.9	Q208 S239	Q208-E241 WeakPolarHBondContact CG-O 3.44Å; Q208-E241 VanDerWaalsContact NE2-CA 3.35Å; Q208-E241 PolarHBondContact NE2-O 2.91Å; S239-E241 PolarHBondContact O-N 2.92Å; S239-E241 WeakPolarHBondContact OG-CA 3.46Å; S239-E241 VanDerWaalsContact OG-CB 3.3Å; S239-E241 WeakPolarHBondContact OG-CB 3.27Å; S239-E241 PolarHBondContact OG-N 3.17Å; S239-E241 PolarHBondContact OG-OE2 2.78Å
242	D	86.7	Confident	81.7	Confident	67 Å²	67	62.5 Å²	62.5	36%	0.358	34%	0.342	S	S	.	.	S	Bend	trans	-60.1	151.8	175.7	-79	-32.8	0	0	0	111.7	Q208 I209 V238 S239 A244	Q208-D242 WeakPolarHBondContact CA-O 3.48Å; I209-D242 HydrophobicContact CD1-CB 3.84Å; I209-D242 WeakPolarHBondContact CG1-O 3.44Å; I209-D242 PolarHBondContact N-O 2.87Å; V238-D242 HydrophobicContact CG1-CB 3.96Å; V238-D242 VanDerWaalsContact CG1-OD2 3.25Å; V238-D242 WeakPolarHBondContact CG1-OD2 3.44Å; S239-D242 WeakPolarHBondContact CB-OD2 3.41Å; S239-D242 PolarHBondContact N-OD2 2.64Å; S239-D242 WeakPolarHBondContact O-CB 3.32Å; S239-D242 PolarHBondContact O-N 2.89Å; S239-D242 PolarHBondContact OG-N 2.96Å; D242-A244 PolarHBondContact O-N 2.72Å
243	D	88.6	Confident	82.1	Confident	40 Å²	40	62.7 Å²	62.7	21%	0.214	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-76.9	117.7	-178.5	-179.1	10.1	0	0	0	111.9	E245 Q246	D243-E245 PolarHBondContact O-N 2.96Å; D243-E245 WeakPolarHBondContact OD1-CB 3.48Å; D243-E245 PolarHBondContact OD1-N 3.22Å; D243-Q246 HydrophobicContact CB-CG 4.25Å; D243-Q246 PolarHBondContact O-N 2.95Å; D243-Q246 PolarHBondContact OD2-NE2 3.31Å; D243-Q246 VanDerWaalsContact OD2-NE2 3.08Å
244	A	88.3	Confident	82.8	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-70.4	-21.2	179.9	0	0	0	0	0	112.7	L189 I203 Q207 I209 A212 D242 A248	L189-A244 HydrophobicContact CD2-CB 4Å; I203-A244 HydrophobicContact CD1-CB 3.87Å; I203-A244 HydrophobicContact CG1-CB 4.38Å; I203-A244 HydrophobicContact CG2-CB 4.07Å; Q207-A244 WeakPolarHBondContact O-CB 3.07Å; Q207-A244 PolarHBondContact O-N 2.67Å; I209-A244 HydrophobicContact CG1-CB 3.81Å; A212-A244 HydrophobicContact CB-CB 4.37Å; D242-A244 PolarHBondContact O-N 2.72Å; A244-A248 VanDerWaalsContact O-CB 3.28Å; A244-A248 WeakPolarHBondContact O-CB 3.24Å; A244-A248 PolarHBondContact O-N 3.5Å; A244-A248 VanDerWaalsContact O-N 3.08Å
245	E	87.8	Confident	83.4	Confident	48 Å²	48	53.3 Å²	53.3	22%	0.224	30%	0.298	C	S	.	.	H	α-helix	trans	-65.7	-43.4	176.3	-178.6	160	-132.1	0	0	110.7	L187 I203 S205 G206 D243 I247 A248 L249	L187-E245 HydrophobicContact CD2-CG 3.93Å; I203-E245 HydrophobicContact CG2-CB 4.36Å; S205-E245 WeakPolarHBondContact CA-OE2 3.45Å; S205-E245 WeakPolarHBondContact CB-OE1 3.49Å; S205-E245 WeakPolarHBondContact CB-OE2 3.5Å; S205-E245 PolarHBondContact OG-OE1 2.8Å; S205-E245 PolarHBondContact OG-OE2 2.88Å; G206-E245 PolarHBondContact N-OE2 3.43Å; D243-E245 PolarHBondContact O-N 2.96Å; D243-E245 WeakPolarHBondContact OD1-CB 3.48Å; D243-E245 PolarHBondContact OD1-N 3.22Å; E245-I247 PolarHBondContact O-N 3.29Å; E245-A248 PolarHBondContact O-N 3.02Å; E245-L249 HydrophobicContact CG-CD1 3.79Å; E245-L249 HydrophobicContact CG-CG 4.23Å; E245-L249 WeakPolarHBondContact O-CB 3.38Å; E245-L249 VanDerWaalsContact O-CG 3.23Å; E245-L249 WeakPolarHBondContact O-CG 3.19Å; E245-L249 PolarHBondContact O-N 2.95Å
246	Q	84.5	Confident	84.1	Confident	116 Å²	116	51.4 Å²	51.4	54%	0.542	28%	0.278	S	S	.	.	H	α-helix	trans	-60.9	-43.8	178.6	-69.1	173.8	45.3	0	0	112.6	D243 L249 I250	D243-Q246 HydrophobicContact CB-CG 4.25Å; D243-Q246 PolarHBondContact O-N 2.95Å; D243-Q246 PolarHBondContact OD2-NE2 3.31Å; D243-Q246 VanDerWaalsContact OD2-NE2 3.08Å; Q246-L249 PolarHBondContact O-N 2.71Å; Q246-I250 WeakPolarHBondContact O-CD1 3.41Å; Q246-I250 VanDerWaalsContact O-CG1 3.26Å; Q246-I250 WeakPolarHBondContact O-CG1 3.34Å; Q246-I250 PolarHBondContact O-N 2.87Å; Q246-I250 VanDerWaalsContact O-N 3.16Å
247	I	83.6	Confident	84.5	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-70.1	-39.8	179.6	-56	-169.4	0	0	0	110.9	L189 I209 V238 E245 I250 G251 E252 L254	L189-I247 HydrophobicContact CD1-CB 4.46Å; L189-I247 HydrophobicContact CD1-CG2 3.98Å; I209-I247 HydrophobicContact CD1-CD1 3.61Å; V238-I247 HydrophobicContact CG1-CD1 3.63Å; V238-I247 HydrophobicContact CG2-CD1 4.4Å; E245-I247 PolarHBondContact O-N 3.29Å; I247-I250 PolarHBondContact O-N 2.96Å; I247-G251 PolarHBondContact O-N 3.5Å; I247-G251 VanDerWaalsContact O-N 3.15Å; I247-E252 HydrophobicContact CG2-CB 3.91Å; I247-E252 PolarHBondContact O-N 2.83Å; I247-L254 HydrophobicContact CD1-CD2 3.92Å; I247-L254 HydrophobicContact CG2-CD2 4.07Å; I247-L254 HydrophobicContact CG2-CG 4.47Å
248	A	84.8	Confident	84.5	Confident	12 Å²	12	50 Å²	50	10%	0.099	26%	0.263	C	S	.	.	H	α-helix	trans	-67.6	-34.8	176.8	0	0	0	0	0	113	L187 L189 I203 A244 E245 G251	L187-A248 HydrophobicContact CD1-CB 4.2Å; L187-A248 HydrophobicContact CD2-CB 3.84Å; L187-A248 HydrophobicContact CG-CB 3.82Å; L189-A248 HydrophobicContact CB-CB 4.22Å; L189-A248 HydrophobicContact CD1-CB 4.32Å; I203-A248 HydrophobicContact CG1-CB 4.45Å; A244-A248 VanDerWaalsContact O-CB 3.28Å; A244-A248 WeakPolarHBondContact O-CB 3.24Å; A244-A248 PolarHBondContact O-N 3.5Å; A244-A248 VanDerWaalsContact O-N 3.08Å; E245-A248 PolarHBondContact O-N 3.02Å; A248-G251 PolarHBondContact O-N 3.42Å
249	L	83.8	Confident	83.6	Confident	123 Å²	123	51.4 Å²	51.4	64%	0.644	28%	0.276	S	S	*	.	H	α-helix	trans	-68.6	-33.5	174.1	-74.7	170.9	0	0	0	112.8	L187 E245 Q246 G251	L187-L249 HydrophobicContact CD1-CD2 4.28Å; L187-L249 HydrophobicContact CD2-CD2 4.38Å; L187-L249 HydrophobicContact CD2-CG 4.23Å; E245-L249 HydrophobicContact CG-CD1 3.79Å; E245-L249 HydrophobicContact CG-CG 4.23Å; E245-L249 WeakPolarHBondContact O-CB 3.38Å; E245-L249 VanDerWaalsContact O-CG 3.23Å; E245-L249 WeakPolarHBondContact O-CG 3.19Å; E245-L249 PolarHBondContact O-N 2.95Å; Q246-L249 PolarHBondContact O-N 2.71Å; L249-G251 VanDerWaalsContact C-N 3.26Å
250	I	80.4	Confident	81.9	Confident	97 Å²	97	57.1 Å²	57.1	50%	0.497	29%	0.291	S	S	.	.	H	α-helix	trans	-73.8	-20.1	173.7	-66.6	164.4	0	0	0	111.5	Q246 I247 E252	Q246-I250 WeakPolarHBondContact O-CD1 3.41Å; Q246-I250 VanDerWaalsContact O-CG1 3.26Å; Q246-I250 WeakPolarHBondContact O-CG1 3.34Å; Q246-I250 PolarHBondContact O-N 2.87Å; Q246-I250 VanDerWaalsContact O-N 3.16Å; I247-I250 PolarHBondContact O-N 2.96Å; I250-E252 VanDerWaalsContact C-N 3.32Å; I250-E252 HydrophobicContact CG2-CG 4.15Å
251	G	78.1	Confident	79.6	Confident	42 Å²	42	65.7 Å²	65.7	43%	0.433	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	27	-174.6	0	0	0	0	0	113.3	I247 A248 L249	I247-G251 PolarHBondContact O-N 3.5Å; I247-G251 VanDerWaalsContact O-N 3.15Å; A248-G251 PolarHBondContact O-N 3.42Å; L249-G251 VanDerWaalsContact C-N 3.26Å
252	E	81.7	Confident	77	Confident	12 Å²	12	68.2 Å²	68.2	6%	0.056	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-80.9	142.4	166.5	-89.1	-166.1	121.7	0	0	110.6	L189 R231 R233 T234 I247 I250	L189-E252 WeakPolarHBondContact CD1-O 3.44Å; R231-E252 WeakPolarHBondContact CB-OE1 3.35Å; R231-E252 VanDerWaalsContact CD-OE2 3.24Å; R231-E252 WeakPolarHBondContact CD-OE2 3.26Å; R231-E252 WeakPolarHBondContact CG-OE2 3.32Å; R231-E252 IonicContact CZ-OE2 3.67Å; R231-E252 IonicContact NE-OE2 3.83Å; R231-E252 IonicContact NH1-OE2 2.74Å; R231-E252 PolarHBondContact NH1-OE2 2.88Å; R233-E252 HydrophobicContact CB-CG 4.43Å; R233-E252 WeakPolarHBondContact CB-OE1 3.36Å; R233-E252 HydrophobicContact CG-CG 4.31Å; T234-E252 PolarHBondContact N-OE1 3.11Å; T234-E252 PolarHBondContact OG1-OE1 3.22Å; I247-E252 HydrophobicContact CG2-CB 3.91Å; I247-E252 PolarHBondContact O-N 2.83Å; I250-E252 VanDerWaalsContact C-N 3.32Å; I250-E252 HydrophobicContact CG2-CG 4.15Å
253	E	88.8	Confident	74.8	Confident	54 Å²	54	70.6 Å²	70.6	25%	0.252	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-91.6	153.3	169	-50.6	-162.6	149.3	0	0	109.4	R190 H192 S232	R190-E253 HydrophobicContact CB-CB 4.44Å; R190-E253 HydrophobicContact CB-CG 4.19Å; R190-E253 WeakPolarHBondContact CD-OE1 3.48Å; R190-E253 WeakPolarHBondContact CD-OE2 3.49Å; R190-E253 IonicContact CZ-OE1 3.85Å; R190-E253 IonicContact NE-OE1 2.66Å; R190-E253 PolarHBondContact NE-OE1 3.44Å; R190-E253 IonicContact NH1-OE1 3.21Å; R190-E253 PolarHBondContact NH1-OE1 3.06Å; R190-E253 IonicContact NH1-OE2 3.19Å; R190-E253 PolarHBondContact NH1-OE2 3.19Å; R190-E253 IonicContact NH2-OE1 2.67Å; R190-E253 WeakPolarHBondContact O-CA 3.45Å; H192-E253 IonicContact CD2-OE2 3.79Å; H192-E253 IonicContact CE1-OE2 3.01Å; H192-E253 IonicContact NE2-OE2 2.76Å; H192-E253 PolarHBondContact NE2-OE2 3.48Å; S232-E253 WeakPolarHBondContact CB-O 3.34Å; S232-E253 PolarHBondContact N-O 3.32Å
254	L	89	Confident	72.7	Confident	0 Å²	0	78 Å²	78	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	146.3	174.6	-65.3	179.2	0	0	0	111.3	L189 R190 A191 H192 I209 L213 V229 Y230 V238 I247	L189-L254 HydrophobicContact CD1-CG 4.47Å; L189-L254 HydrophobicContact CD2-CD1 3.84Å; L189-L254 HydrophobicContact CD2-CG 4.46Å; L189-L254 HydrophobicContact CG-CD1 4.49Å; R190-L254 PolarHBondContact O-N 3.38Å; A191-L254 CarbonylContact C-O 3.56Å; A191-L254 WeakPolarHBondContact CA-O 3.46Å; A191-L254 HydrophobicContact CB-CB 4.04Å; H192-L254 PolarHBondContact CD2-O 3.3Å; H192-L254 PolarHBondContact N-O 3.17Å; I209-L254 HydrophobicContact CD1-CD1 4.22Å; I209-L254 HydrophobicContact CG1-CD1 4.41Å; I209-L254 HydrophobicContact CG2-CD1 3.86Å; L213-L254 HydrophobicContact CD1-CD1 4.14Å; V229-L254 HydrophobicContact CG1-CB 4.15Å; V229-L254 HydrophobicContact CG1-CD1 3.95Å; V229-L254 HydrophobicContact CG1-CD2 3.89Å; V229-L254 HydrophobicContact CG1-CG 4.22Å; Y230-L254 CarbonylContact O-C 3.59Å; Y230-L254 WeakPolarHBondContact O-CA 3.48Å; V238-L254 HydrophobicContact CG2-CD2 4.11Å; I247-L254 HydrophobicContact CD1-CD2 3.92Å; I247-L254 HydrophobicContact CG2-CD2 4.07Å; I247-L254 HydrophobicContact CG2-CG 4.47Å
255	I	85.6	Confident	70.9	Confident	67 Å²	67	86 Å²	86	34%	0.344	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.7	165.2	-60.8	174.6	0	0	0	107	V229 Y230	V229-I255 CarbonylContact C-O 3.57Å; V229-I255 WeakPolarHBondContact CA-O 3.44Å; Y230-I255 PolarHBondContact N-O 3.45Å; Y230-I255 PolarHBondContact O-N 2.94Å
256	V	85.3	Confident	69.7	Low	2 Å²	2	87.7 Å²	87.7	1%	0.012	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.7	173.3	-169.5	0	0	0	0	107.5	A191 H192 F193 P194 L213 L217 L227 I228 V229 W240	A191-V256 HydrophobicContact CB-CG2 4.42Å; H192-V256 PolarHBondContact O-N 3.18Å; F193-V256 CarbonylContact C-O 3.49Å; F193-V256 HydrophobicContact CD1-CB 3.96Å; F193-V256 HydrophobicContact CD1-CG2 3.91Å; F193-V256 HydrophobicContact CE1-CB 4.44Å; F193-V256 HydrophobicContact CE1-CG2 3.97Å; P194-V256 VanDerWaalsContact CD-O 3.22Å; P194-V256 WeakPolarHBondContact CD-O 3.4Å; L213-V256 HydrophobicContact CD1-CG2 4.05Å; L217-V256 HydrophobicContact CD2-CG1 4.5Å; L227-V256 HydrophobicContact CB-CG1 3.93Å; L227-V256 HydrophobicContact CD1-CG1 4Å; L227-V256 HydrophobicContact CD2-CG1 4.16Å; L227-V256 HydrophobicContact CG-CG1 4.25Å; I228-V256 WeakPolarHBondContact O-CA 3.43Å; V229-V256 HydrophobicContact CG1-CG2 4.46Å; V229-V256 HydrophobicContact CG2-CG1 4.42Å; V229-V256 HydrophobicContact CG2-CG2 4.26Å; W240-V256 HydrophobicContact CH2-CG1 4.02Å; W240-V256 HydrophobicContact CZ2-CG1 4.36Å
257	D	78	Confident	69.2	Low	83 Å²	83	88.6 Å²	88.6	44%	0.444	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	165.4	178.2	-160.3	7.7	0	0	0	111.2	L227 I228 A259	L227-D257 VanDerWaalsContact CA-O 3.3Å; L227-D257 WeakPolarHBondContact CA-O 3.32Å; I228-D257 PolarHBondContact N-O 2.8Å; I228-D257 PolarHBondContact O-N 2.88Å; D257-A259 PolarHBondContact O-N 2.68Å
258	F	74.6	Confident	68.9	Low	74 Å²	74	89.5 Å²	89.5	33%	0.325	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	124.2	177.4	-70.9	-70.3	0	0	0	111.5	P194 L222 Q226 L227 R260	P194-F258 HydrophobicContact CB-CD2 3.71Å; P194-F258 HydrophobicContact CB-CE2 3.32Å; P194-F258 HydrophobicContact CB-CZ 3.95Å; P194-F258 HydrophobicContact CG-CD2 3.87Å; P194-F258 HydrophobicContact CG-CE2 3.77Å; P194-F258 HydrophobicContact CG-CG 4.31Å; P194-F258 HydrophobicContact CG-CZ 4.11Å; L222-F258 HydrophobicContact CD2-CE1 3.72Å; L222-F258 HydrophobicContact CD2-CZ 3.7Å; Q226-F258 CarbonylContact O-C 3.55Å; Q226-F258 WeakPolarHBondContact O-CA 3.44Å; L227-F258 HydrophobicContact CD2-CD1 4.06Å; L227-F258 HydrophobicContact CD2-CE1 4.43Å; F258-R260 PolarHBondContact O-N 3.15Å; F258-R260 VanDerWaalsContact O-N 3.11Å
259	A	63.2	Low	68.9	Low	42 Å²	42	94.2 Å²	94.2	35%	0.347	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-58.2	116.9	159.9	0	0	0	0	0	107.8	Q226 D257 R261	Q226-A259 PolarHBondContact O-N 2.92Å; D257-A259 PolarHBondContact O-N 2.68Å; A259-R261 PolarHBondContact O-N 3.4Å
260	R	51.9	Low	69.2	Low	165 Å²	165	91.7 Å²	91.7	62%	0.623	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-57.6	136.7	-169.1	-72.1	-173.2	175.9	-168.7	-1.4	110.6	F258 D318 D742	F258-R260 PolarHBondContact O-N 3.15Å; F258-R260 VanDerWaalsContact O-N 3.11Å; R260-D318 WeakPolarHBondContact CD-OD1 3.36Å; R260-D318 IonicContact CZ-OD1 3.73Å; R260-D318 IonicContact NE-OD1 3.45Å; R260-D318 IonicContact NH1-OD1 2.68Å; R260-D318 PolarHBondContact NH1-OD1 3.03Å; R260-D742 IonicContact NH1-OD2 3.61Å
261	R	38.8	Very low	69.6	Low	216 Å²	216	92 Å²	92	82%	0.815	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-60.7	150.7	-160	-66.2	174.2	177.6	150.8	0.1	113	A259 I263	A259-R261 PolarHBondContact O-N 3.4Å; R261-I263 PolarHBondContact O-N 3.29Å
262	N	33.5	Very low	70.3	Confident	171 Å²	171	100 Å²	100	91%	0.914	45%	0.451	S	S	*	.			trans	-60	81	163.5	-95.2	-54.6	0	0	0	111.5	K264	N262-K264 PolarHBondContact O-N 3.3Å
263	I	40.2	Very low	70.5	Confident	116 Å²	116	103.7 Å²	103.7	60%	0.595	47%	0.467	S	S	*	.			trans	-65.8	126.7	159.5	-60.4	175.4	0	0	0	106.1	R261 R265	R261-I263 PolarHBondContact O-N 3.29Å; I263-R265 PolarHBondContact O-N 2.9Å
264	K	43.6	Very low	70.6	Confident	197 Å²	197	103.2 Å²	103.2	86%	0.857	47%	0.468	S	S	*	.			trans	-58.5	113.1	176.7	-74.6	-174.5	178.1	179.9	0	108.7	N262 L266	N262-K264 PolarHBondContact O-N 3.3Å; K264-L266 PolarHBondContact O-N 3.26Å; K264-L266 VanDerWaalsContact O-N 3.09Å
265	R	50.9	Low	70.4	Confident	167 Å²	167	104 Å²	104	63%	0.63	47%	0.472	S	S	*	.			trans	-50.3	117.3	177.7	-73	175.8	174.8	163.8	-0.7	109.4	I263 E267 N312	I263-R265 PolarHBondContact O-N 2.9Å; R265-E267 PolarHBondContact O-N 3.35Å; R265-N312 WeakPolarHBondContact CD-OD1 3.12Å
266	L	62.8	Low	70.2	Confident	84 Å²	84	108.1 Å²	108.1	44%	0.44	49%	0.487	S	S	.	.			trans	-75.7	109.5	179.5	-173.7	67.9	0	0	0	107.7	K264 A296 C313	K264-L266 PolarHBondContact O-N 3.26Å; K264-L266 VanDerWaalsContact O-N 3.09Å; L266-A296 HydrophobicContact CD2-CB 4.12Å; L266-C313 HydrophobicContact CB-CB 4.23Å; L266-C313 HydrophobicContact CD2-CB 4.16Å; L266-C313 HydrophobicContact CG-CB 3.98Å; L266-C313 WeakPolarHBondContact O-CA 3.25Å; L266-C313 WeakPolarHBondContact O-CB 3.49Å; L266-C313 PolarHBondContact O-N 3.08Å
267	E	73.5	Confident	69.9	Low	135 Å²	135	113.3 Å²	113.3	63%	0.631	51%	0.511	S	S	*	.	B	Isolated β-bridge	trans	-79.1	152.9	178.6	-65.8	-165.7	145.3	0	0	112.5	R265 H269 K311	R265-E267 PolarHBondContact O-N 3.35Å; E267-H269 PolarHBondContact O-N 3.39Å; E267-H269 VanDerWaalsContact O-N 3.13Å; E267-K311 WeakPolarHBondContact CA-O 3.49Å
268	H	78.5	Confident	69.9	Low	21 Å²	21	115.1 Å²	115.1	10%	0.097	52%	0.515	C	S	.	.			trans	-70	102.3	178.1	-87.2	-81.2	0	0	0	113.2	F270 C294 C297 Y301 D310 K311 N312	H268-F270 HydrophobicContact CB-CD2 4.03Å; H268-F270 HydrophobicContact CB-CE1 4Å; H268-F270 HydrophobicContact CB-CE2 3.44Å; H268-F270 VanDerWaalsContact CB-CE2 3.44Å; H268-F270 HydrophobicContact CB-CZ 3.42Å; H268-F270 VanDerWaalsContact CB-CZ 3.42Å; H268-F270 AromaticContact CG-CZ 3.51Å; H268-F270 AromaticContact ND1-CE1 3.65Å; H268-F270 AromaticContact ND1-CZ 3.61Å; H268-F270 PolarHBondContact O-N 3.04Å; H268-F270 VanDerWaalsContact O-N 3.15Å; H268-C294 WeakPolarHBondContact ND1-CB 3.29Å; H268-C294 PolarHBondContact ND1-SG 2.82Å; H268-C297 PolarHBondContact CE1-SG 3.4Å; H268-Y301 AromaticContact CE1-CE2 3.88Å; H268-D310 PolarHBondContact CD2-O 3.1Å; H268-D310 VanDerWaalsContact CD2-O 3.24Å; H268-K311 PolarHBondContact N-O 3.33Å; H268-N312 PolarHBondContact CD2-O 3.27Å; H268-N312 PolarHBondContact NE2-O 2.91Å
269	H	85.1	Confident	70.3	Confident	111 Å²	111	112.7 Å²	112.7	51%	0.514	51%	0.508	S	S	.	.			trans	-78.7	91.9	168.2	-172.9	147.6	0	0	0	110.9	E267 C294 K295	E267-H269 PolarHBondContact O-N 3.39Å; E267-H269 VanDerWaalsContact O-N 3.13Å; H269-C294 CarbonylContact O-C 3.51Å; H269-C294 WeakPolarHBondContact O-CA 3.27Å; H269-K295 PolarHBondContact NE2-NZ 3.1Å; H269-K295 VanDerWaalsContact NE2-NZ 3.19Å; H269-K295 PolarHBondContact O-N 3.42Å
270	F	89.5	Confident	71.4	Confident	70 Å²	70	112.5 Å²	112.5	31%	0.307	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	137.8	179.5	-67	-61.2	0	0	0	114.5	H268 A292 I293 C294 Y301 L306 V309	H268-F270 HydrophobicContact CB-CD2 4.03Å; H268-F270 HydrophobicContact CB-CE1 4Å; H268-F270 HydrophobicContact CB-CE2 3.44Å; H268-F270 VanDerWaalsContact CB-CE2 3.44Å; H268-F270 HydrophobicContact CB-CZ 3.42Å; H268-F270 VanDerWaalsContact CB-CZ 3.42Å; H268-F270 AromaticContact CG-CZ 3.51Å; H268-F270 AromaticContact ND1-CE1 3.65Å; H268-F270 AromaticContact ND1-CZ 3.61Å; H268-F270 PolarHBondContact O-N 3.04Å; H268-F270 VanDerWaalsContact O-N 3.15Å; F270-A292 HydrophobicContact CB-CB 4.18Å; F270-A292 HydrophobicContact CD1-CB 4.34Å; F270-I293 CarbonylContact C-O 3.54Å; F270-I293 WeakPolarHBondContact CA-O 3.5Å; F270-C294 HydrophobicContact CD1-CB 4.1Å; F270-C294 HydrophobicContact CE1-CB 4.02Å; F270-Y301 AromaticContact CE1-CD2 3.57Å; F270-Y301 HydrophobicContact CE1-CD2 3.57Å; F270-Y301 AromaticContact CE1-CE2 3.76Å; F270-Y301 HydrophobicContact CE1-CE2 3.76Å; F270-Y301 HydrophobicContact CZ-CD2 4.14Å; F270-Y301 HydrophobicContact CZ-CE2 4.2Å; F270-L306 HydrophobicContact CD1-CD2 3.87Å; F270-L306 HydrophobicContact CD2-CD2 3.96Å; F270-L306 HydrophobicContact CE1-CD2 3.73Å; F270-L306 HydrophobicContact CE2-CD2 3.79Å; F270-L306 HydrophobicContact CG-CD2 4Å; F270-L306 HydrophobicContact CZ-CD2 3.67Å; F270-V309 HydrophobicContact CZ-CG1 4.34Å
271	Q	89.6	Confident	73.1	Confident	103 Å²	103	104.7 Å²	104.7	48%	0.481	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.4	167.4	179.5	177.5	-3.5	0	0	109.8	A292 I293 K295	Q271-A292 CarbonylContact O-C 3.59Å; Q271-A292 WeakPolarHBondContact O-CA 3.38Å; Q271-A292 WeakPolarHBondContact O-CB 3.16Å; Q271-I293 HydrophobicContact CB-CG2 4.48Å; Q271-I293 PolarHBondContact N-O 2.74Å; Q271-I293 PolarHBondContact O-N 2.94Å; Q271-K295 HydrophobicContact CB-CG 4.36Å
272	R	91.6	Very high	75.2	Confident	209 Å²	209	96.9 Å²	96.9	79%	0.789	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	134.5	173.3	-70.3	-177.9	179.2	174.4	1.3	110.7	G291	R272-G291 CarbonylContact C-O 3.51Å; R272-G291 VanDerWaalsContact CA-O 3.3Å; R272-G291 WeakPolarHBondContact CA-O 3.46Å
273	K	87.4	Confident	77.6	Confident	90 Å²	90	91.4 Å²	91.4	39%	0.391	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	136.3	-177.1	-177.7	168.2	178.1	-178.8	0	111.9	F275 G291 I293	K273-F275 HydrophobicContact CB-CE2 3.94Å; K273-F275 HydrophobicContact CB-CZ 4.02Å; K273-F275 HydrophobicContact CD-CD1 4.31Å; K273-F275 HydrophobicContact CD-CE1 3.87Å; K273-F275 HydrophobicContact CD-CZ 4.01Å; K273-F275 HydrophobicContact CG-CD1 4.45Å; K273-F275 HydrophobicContact CG-CD2 4.36Å; K273-F275 HydrophobicContact CG-CE1 4.22Å; K273-F275 HydrophobicContact CG-CE2 4.1Å; K273-F275 HydrophobicContact CG-CZ 4.04Å; K273-F275 WeakPolarHBondContact O-CD2 3.43Å; K273-F275 WeakPolarHBondContact O-CE2 3.42Å; K273-G291 PolarHBondContact N-O 2.94Å; K273-G291 PolarHBondContact O-N 3.07Å; K273-I293 HydrophobicContact CB-CB 4.45Å; K273-I293 HydrophobicContact CB-CG2 4.02Å; K273-I293 HydrophobicContact CD-CB 4.28Å; K273-I293 HydrophobicContact CD-CD1 4.13Å; K273-I293 HydrophobicContact CD-CG2 3.87Å
274	T	89.4	Confident	79.8	Confident	44 Å²	44	87.7 Å²	87.7	27%	0.27	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	132.5	161.9	-46.8	0	0	0	0	108.6	F276 F289 H290	T274-F276 HydrophobicContact CG2-CD1 4.29Å; T274-F276 HydrophobicContact CG2-CD2 4.48Å; T274-F276 HydrophobicContact CG2-CE1 3.84Å; T274-F276 HydrophobicContact CG2-CE2 4.05Å; T274-F276 HydrophobicContact CG2-CZ 3.72Å; T274-F289 WeakPolarHBondContact CA-O 3.45Å; T274-F289 HydrophobicContact CG2-CE2 4.38Å; T274-F289 HydrophobicContact CG2-CZ 4.19Å; T274-H290 PolarHBondContact OG1-CE1 2.95Å
275	F	84.9	Confident	81.5	Confident	18 Å²	18	81.7 Å²	81.7	8%	0.079	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	100.1	179.2	-62.2	-96.3	0	0	0	108.7	K273 A279 I288 F289 I293 A300	K273-F275 HydrophobicContact CB-CE2 3.94Å; K273-F275 HydrophobicContact CB-CZ 4.02Å; K273-F275 HydrophobicContact CD-CD1 4.31Å; K273-F275 HydrophobicContact CD-CE1 3.87Å; K273-F275 HydrophobicContact CD-CZ 4.01Å; K273-F275 HydrophobicContact CG-CD1 4.45Å; K273-F275 HydrophobicContact CG-CD2 4.36Å; K273-F275 HydrophobicContact CG-CE1 4.22Å; K273-F275 HydrophobicContact CG-CE2 4.1Å; K273-F275 HydrophobicContact CG-CZ 4.04Å; K273-F275 WeakPolarHBondContact O-CD2 3.43Å; K273-F275 WeakPolarHBondContact O-CE2 3.42Å; F275-A279 HydrophobicContact CB-CB 3.99Å; F275-A279 HydrophobicContact CD1-CB 3.41Å; F275-A279 VanDerWaalsContact CD1-CB 3.41Å; F275-A279 HydrophobicContact CE1-CB 4.05Å; F275-A279 HydrophobicContact CG-CB 3.84Å; F275-I288 WeakPolarHBondContact CB-O 3.16Å; F275-I288 HydrophobicContact CD2-CD1 4.23Å; F275-I288 HydrophobicContact CD2-CG1 4.03Å; F275-I288 HydrophobicContact CD2-CG2 4.11Å; F275-I288 HydrophobicContact CE2-CD1 3.76Å; F275-I288 HydrophobicContact CE2-CG1 4.08Å; F275-I288 HydrophobicContact CE2-CG2 4.28Å; F275-I288 HydrophobicContact CG-CG2 4.26Å; F275-I288 HydrophobicContact CZ-CD1 4.4Å; F275-F289 PolarHBondContact N-O 3.43Å; F275-F289 WeakPolarHBondContact O-CD2 3.4Å; F275-I293 HydrophobicContact CE1-CD1 4.43Å; F275-I293 HydrophobicContact CZ-CB 4.17Å; F275-A300 HydrophobicContact CE1-CB 3.81Å; F275-A300 HydrophobicContact CE2-CB 4.44Å; F275-A300 HydrophobicContact CZ-CB 3.53Å
276	F	82.2	Confident	83.2	Confident	153 Å²	153	80.3 Å²	80.3	67%	0.671	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	-25.3	176.4	-60.1	-75	0	0	0	112.5	T274 N422	T274-F276 HydrophobicContact CG2-CD1 4.29Å; T274-F276 HydrophobicContact CG2-CD2 4.48Å; T274-F276 HydrophobicContact CG2-CE1 3.84Å; T274-F276 HydrophobicContact CG2-CE2 4.05Å; T274-F276 HydrophobicContact CG2-CZ 3.72Å; F276-N422 PolarHBondContact O-ND2 2.88Å
277	E	78.2	Confident	84.3	Confident	111 Å²	111	79.2 Å²	79.2	52%	0.519	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	162.6	167.9	-63.2	-176.9	150.4	0	0	110.9	A279	E277-A279 PolarHBondContact O-N 3.3Å
278	K	79.5	Confident	84.9	Confident	121 Å²	121	73 Å²	73	53%	0.526	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	90.6	-175.2	-169.1	-165.6	-172.6	-164.7	0	112.2	Y280	K278-Y280 WeakPolarHBondContact CE-OH 3.47Å; K278-Y280 PolarHBondContact NZ-OH 2.99Å
279	A	83.2	Confident	85.4	Confident	22 Å²	22	78.6 Å²	78.6	18%	0.182	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	165.4	173.5	0	0	0	0	0	112.9	F275 E277 S287 I288	F275-A279 HydrophobicContact CB-CB 3.99Å; F275-A279 HydrophobicContact CD1-CB 3.41Å; F275-A279 VanDerWaalsContact CD1-CB 3.41Å; F275-A279 HydrophobicContact CE1-CB 4.05Å; F275-A279 HydrophobicContact CG-CB 3.84Å; E277-A279 PolarHBondContact O-N 3.3Å; A279-S287 WeakPolarHBondContact O-CA 3.15Å; A279-I288 HydrophobicContact CB-CG2 3.52Å; A279-I288 PolarHBondContact O-N 3.3Å
280	Y	85.2	Confident	85.7	Confident	39 Å²	39	78.4 Å²	78.4	15%	0.153	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	162	173.3	-55.8	-88.3	0	0	0	111.6	K278 S773 Q774 P777	K278-Y280 WeakPolarHBondContact CE-OH 3.47Å; K278-Y280 PolarHBondContact NZ-OH 2.99Å; Y280-S773 WeakPolarHBondContact CE2-O 3.42Å; Y280-S773 VanDerWaalsContact CZ-O 3.28Å; Y280-S773 PolarHBondContact OH-O 3.27Å; Y280-Q774 HydrophobicContact CD1-CG 4.07Å; Y280-Q774 HydrophobicContact CD2-CB 4.05Å; Y280-Q774 HydrophobicContact CD2-CG 4.03Å; Y280-Q774 HydrophobicContact CE1-CG 4.11Å; Y280-Q774 HydrophobicContact CE2-CB 4.17Å; Y280-Q774 HydrophobicContact CE2-CG 4.04Å; Y280-Q774 HydrophobicContact CG-CB 4.42Å; Y280-Q774 HydrophobicContact CG-CG 4.02Å; Y280-P777 HydrophobicContact CE2-CB 4.07Å; Y280-P777 HydrophobicContact CE2-CG 3.99Å
281	C	87.1	Confident	85.7	Confident	1 Å²	1	75.1 Å²	75.1	1%	0.007	35%	0.352	C	S	.	.			trans	-86	119.5	174.4	174.6	0	0	0	0	111.4	L283 C284 H285 K286 A300 H302 C305	C281-L283 PolarHBondContact O-N 2.84Å; C281-C284 PolarHBondContact O-N 3.21Å; C281-H285 WeakPolarHBondContact O-CA 3.29Å; C281-H285 PolarHBondContact O-N 3.06Å; C281-K286 PolarHBondContact N-O 3.27Å; C281-A300 CarbonylContact C-O 3.52Å; C281-A300 VanDerWaalsContact CA-O 3.31Å; C281-A300 WeakPolarHBondContact CA-O 3.44Å; C281-H302 WeakPolarHBondContact CB-CE1 3.46Å; C281-H302 VanDerWaalsContact CB-ND1 3.34Å; C281-H302 WeakPolarHBondContact CB-ND1 3.41Å; C281-C305 VanDerWaalsContact SG-SG 3.63Å
282	N	83.4	Confident	85.8	Confident	52 Å²	52	70.3 Å²	70.3	28%	0.278	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	21.2	177.9	-71.7	95.5	0	0	0	115	C299 A300 Y301	N282-C299 HydrophobicContact CB-CB 3.99Å; N282-C299 WeakPolarHBondContact OD1-CA 3.49Å; N282-A300 PolarHBondContact N-O 3.26Å; N282-A300 PolarHBondContact OD1-N 2.8Å; N282-A300 PolarHBondContact OD1-O 3.12Å; N282-Y301 HydrophobicContact CB-CD1 4.18Å; N282-Y301 HydrophobicContact CB-CE1 3.57Å
283	L	84.4	Confident	85.6	Confident	55 Å²	55	61.9 Å²	61.9	29%	0.288	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138	-38.5	175.7	-175.3	72.6	0	0	0	112.9	C281 Y301 C305 R308 V309	C281-L283 PolarHBondContact O-N 2.84Å; L283-Y301 HydrophobicContact CB-CD1 3.83Å; L283-Y301 HydrophobicContact CB-CE1 4.01Å; L283-C305 HydrophobicContact CD2-CB 3.96Å; L283-C305 WeakPolarHBondContact CD2-O 3.43Å; L283-R308 HydrophobicContact CD2-CB 3.55Å; L283-V309 HydrophobicContact CD2-CG2 4.17Å
284	C	85.4	Confident	85.5	Confident	39 Å²	39	57.7 Å²	57.7	26%	0.264	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	3.5	-179.9	80.9	0	0	0	0	113.8	C281 K286 H302 C305	C281-C284 PolarHBondContact O-N 3.21Å; C284-K286 PolarHBondContact O-N 3.11Å; C284-H302 PolarHBondContact SG-CE1 3.27Å; C284-H302 PolarHBondContact SG-ND1 3.24Å; C284-C305 VanDerWaalsContact SG-SG 3.61Å
285	H	80.7	Confident	85.1	Confident	70 Å²	70	61.3 Å²	61.3	32%	0.324	29%	0.294	S	S	.	.			trans	60.9	3.9	169.9	-63.1	-81	0	0	0	115.9	C281 Q774	C281-H285 WeakPolarHBondContact O-CA 3.29Å; C281-H285 PolarHBondContact O-N 3.06Å; H285-Q774 VanDerWaalsContact CB-OE1 3.31Å; H285-Q774 PolarHBondContact ND1-OE1 3.15Å; H285-Q774 PolarHBondContact O-NE2 2.94Å
286	K	85.4	Confident	84.4	Confident	138 Å²	138	62.3 Å²	62.3	60%	0.6	31%	0.305	S	S	*	.	S	Bend	trans	-87.4	152.8	175.5	-67.9	169.2	-173.8	-177.6	0	110.9	C281 C284 H302	C281-K286 PolarHBondContact N-O 3.27Å; C284-K286 PolarHBondContact O-N 3.11Å; K286-H302 PolarHBondContact O-CE1 3.07Å
287	S	85.8	Confident	83.9	Confident	61 Å²	61	55 Å²	55	43%	0.427	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	144.6	-179.3	50.3	0	0	0	0	112.5	A279 H302	A279-S287 WeakPolarHBondContact O-CA 3.15Å; S287-H302 PolarHBondContact O-NE2 2.99Å
288	I	87.5	Confident	83.9	Confident	6 Å²	6	50.9 Å²	50.9	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.4	-179.6	-172.6	174.7	0	0	0	110.2	F275 A279 H290 A300 Y301	F275-I288 WeakPolarHBondContact CB-O 3.16Å; F275-I288 HydrophobicContact CD2-CD1 4.23Å; F275-I288 HydrophobicContact CD2-CG1 4.03Å; F275-I288 HydrophobicContact CD2-CG2 4.11Å; F275-I288 HydrophobicContact CE2-CD1 3.76Å; F275-I288 HydrophobicContact CE2-CG1 4.08Å; F275-I288 HydrophobicContact CE2-CG2 4.28Å; F275-I288 HydrophobicContact CG-CG2 4.26Å; F275-I288 HydrophobicContact CZ-CD1 4.4Å; A279-I288 HydrophobicContact CB-CG2 3.52Å; A279-I288 PolarHBondContact O-N 3.3Å; I288-H290 WeakPolarHBondContact CG1-O 3.35Å; I288-A300 HydrophobicContact CG2-CB 4.42Å; I288-Y301 VanDerWaalsContact CD1-O 3.29Å; I288-Y301 WeakPolarHBondContact CD1-O 3.11Å
289	F	89	Confident	84	Confident	137 Å²	137	45.5 Å²	45.5	60%	0.601	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	-29.5	169.9	178.5	-107.5	0	0	0	111.6	T274 F275	T274-F289 WeakPolarHBondContact CA-O 3.45Å; T274-F289 HydrophobicContact CG2-CE2 4.38Å; T274-F289 HydrophobicContact CG2-CZ 4.19Å; F275-F289 PolarHBondContact N-O 3.43Å; F275-F289 WeakPolarHBondContact O-CD2 3.4Å
290	H	89.6	Confident	84.2	Confident	107 Å²	107	44.8 Å²	44.8	50%	0.495	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	137.1	179.8	-120.8	85.8	0	0	0	110.1	T274 I288	T274-H290 PolarHBondContact OG1-CE1 2.95Å; I288-H290 WeakPolarHBondContact CG1-O 3.35Å
291	G	91.4	Very high	84.5	Confident	1 Å²	1	43 Å²	43	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.3	-136.2	173	0	0	0	0	0	110.6	R272 K273 N303	R272-G291 CarbonylContact C-O 3.51Å; R272-G291 VanDerWaalsContact CA-O 3.3Å; R272-G291 WeakPolarHBondContact CA-O 3.46Å; K273-G291 PolarHBondContact N-O 2.94Å; K273-G291 PolarHBondContact O-N 3.07Å; G291-N303 WeakPolarHBondContact CA-OD1 3.48Å
292	A	91.4	Very high	84.7	Confident	3 Å²	3	43.6 Å²	43.6	3%	0.025	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	155.3	174.8	0	0	0	0	0	112.6	F270 Q271 A300 Y301 L306	F270-A292 HydrophobicContact CB-CB 4.18Å; F270-A292 HydrophobicContact CD1-CB 4.34Å; Q271-A292 CarbonylContact O-C 3.59Å; Q271-A292 WeakPolarHBondContact O-CA 3.38Å; Q271-A292 WeakPolarHBondContact O-CB 3.16Å; A292-A300 CarbonylContact O-C 3.57Å; A292-A300 WeakPolarHBondContact O-CA 3.19Å; A292-Y301 PolarHBondContact N-O 3.46Å; A292-Y301 PolarHBondContact O-N 3.2Å; A292-L306 HydrophobicContact CB-CD1 3.93Å; A292-L306 HydrophobicContact CB-CD2 4.26Å
293	I	87.7	Confident	85.1	Confident	32 Å²	32	44.9 Å²	44.9	16%	0.164	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	139.2	171	-165.1	171.8	0	0	0	108.7	F270 Q271 K273 F275 G298 C299	F270-I293 CarbonylContact C-O 3.54Å; F270-I293 WeakPolarHBondContact CA-O 3.5Å; Q271-I293 HydrophobicContact CB-CG2 4.48Å; Q271-I293 PolarHBondContact N-O 2.74Å; Q271-I293 PolarHBondContact O-N 2.94Å; K273-I293 HydrophobicContact CB-CB 4.45Å; K273-I293 HydrophobicContact CB-CG2 4.02Å; K273-I293 HydrophobicContact CD-CB 4.28Å; K273-I293 HydrophobicContact CD-CD1 4.13Å; K273-I293 HydrophobicContact CD-CG2 3.87Å; F275-I293 HydrophobicContact CE1-CD1 4.43Å; F275-I293 HydrophobicContact CZ-CB 4.17Å; I293-G298 WeakPolarHBondContact CD1-O 3.39Å; I293-G298 WeakPolarHBondContact CG1-O 3.42Å; I293-C299 CarbonylContact C-O 3.58Å; I293-C299 WeakPolarHBondContact CA-O 3.14Å
294	C	84.5	Confident	85.4	Confident	1 Å²	1	48 Å²	48	1%	0.007	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	128.3	169.8	-175.7	0	0	0	0	109.8	H268 H269 F270 A296 C297 G298 C299 C313	H268-C294 WeakPolarHBondContact ND1-CB 3.29Å; H268-C294 PolarHBondContact ND1-SG 2.82Å; H269-C294 CarbonylContact O-C 3.51Å; H269-C294 WeakPolarHBondContact O-CA 3.27Å; F270-C294 HydrophobicContact CD1-CB 4.1Å; F270-C294 HydrophobicContact CE1-CB 4.02Å; C294-A296 PolarHBondContact O-N 3.45Å; C294-A296 PolarHBondContact SG-N 3.21Å; C294-C297 WeakPolarHBondContact CB-SG 3.08Å; C294-C297 VanDerWaalsContact SG-SG 3.61Å; C294-G298 WeakPolarHBondContact O-CA 3.21Å; C294-G298 PolarHBondContact O-N 2.75Å; C294-C299 PolarHBondContact N-O 3.47Å; C294-C313 VanDerWaalsContact SG-SG 3.65Å
295	K	80.8	Confident	85.6	Confident	121 Å²	121	46.7 Å²	46.7	53%	0.526	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-24.4	176.5	-73.2	-174.3	-178.1	161.8	0	113.7	H269 Q271	H269-K295 PolarHBondContact NE2-NZ 3.1Å; H269-K295 VanDerWaalsContact NE2-NZ 3.19Å; H269-K295 PolarHBondContact O-N 3.42Å; Q271-K295 HydrophobicContact CB-CG 4.36Å
296	A	70.9	Confident	86	Confident	38 Å²	38	45.5 Å²	45.5	31%	0.314	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-66.7	-179	0	0	0	0	0	112	L266 C294 G298 C313	L266-A296 HydrophobicContact CD2-CB 4.12Å; C294-A296 PolarHBondContact O-N 3.45Å; C294-A296 PolarHBondContact SG-N 3.21Å; A296-G298 PolarHBondContact O-N 2.87Å; A296-C313 VanDerWaalsContact CB-SG 3.53Å
297	C	71.5	Confident	86.1	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.007	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-7.7	179.9	61.3	0	0	0	0	115.3	H268 C294 C299 C313 H752 Q753	H268-C297 PolarHBondContact CE1-SG 3.4Å; C294-C297 WeakPolarHBondContact CB-SG 3.08Å; C294-C297 VanDerWaalsContact SG-SG 3.61Å; C297-C299 PolarHBondContact O-N 3.18Å; C297-C299 VanDerWaalsContact O-N 3.07Å; C297-C299 VanDerWaalsContact SG-CB 3.57Å; C297-C313 WeakPolarHBondContact CB-SG 3.46Å; C297-C313 PolarHBondContact N-SG 3.39Å; C297-C313 PolarHBondContact SG-SG 2.95Å; C297-H752 WeakPolarHBondContact CB-CE1 3.42Å; C297-H752 VanDerWaalsContact CB-NE2 3.34Å; C297-H752 WeakPolarHBondContact CB-NE2 3.3Å; C297-Q753 VanDerWaalsContact O-CG 3.31Å; C297-Q753 WeakPolarHBondContact O-CG 3.48Å; C297-Q753 PolarHBondContact O-NE2 3.02Å
298	G	78.1	Confident	86.2	Confident	24 Å²	24	50.9 Å²	50.9	25%	0.247	25%	0.252	C	S	.	.			trans	69.1	-5.5	-174.4	0	0	0	0	0	115.8	I293 C294 A296	I293-G298 WeakPolarHBondContact CD1-O 3.39Å; I293-G298 WeakPolarHBondContact CG1-O 3.42Å; C294-G298 WeakPolarHBondContact O-CA 3.21Å; C294-G298 PolarHBondContact O-N 2.75Å; A296-G298 PolarHBondContact O-N 2.87Å
299	C	81.2	Confident	85.9	Confident	8 Å²	8	51.8 Å²	51.8	5%	0.054	26%	0.257	C	S	.	.			trans	-62	137.7	-179	-62.4	0	0	0	0	111.9	N282 I293 C294 C297 Y301	N282-C299 HydrophobicContact CB-CB 3.99Å; N282-C299 WeakPolarHBondContact OD1-CA 3.49Å; I293-C299 CarbonylContact C-O 3.58Å; I293-C299 WeakPolarHBondContact CA-O 3.14Å; C294-C299 PolarHBondContact N-O 3.47Å; C297-C299 PolarHBondContact O-N 3.18Å; C297-C299 VanDerWaalsContact O-N 3.07Å; C297-C299 VanDerWaalsContact SG-CB 3.57Å; C299-Y301 HydrophobicContact CB-CE2 3.52Å; C299-Y301 WeakPolarHBondContact CB-OH 3.49Å
300	A	87.9	Confident	85.4	Confident	6 Å²	6	49.2 Å²	49.2	5%	0.05	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	140.6	-179.1	0	0	0	0	0	111.1	F275 C281 N282 I288 A292	F275-A300 HydrophobicContact CE1-CB 3.81Å; F275-A300 HydrophobicContact CE2-CB 4.44Å; F275-A300 HydrophobicContact CZ-CB 3.53Å; C281-A300 CarbonylContact C-O 3.52Å; C281-A300 VanDerWaalsContact CA-O 3.31Å; C281-A300 WeakPolarHBondContact CA-O 3.44Å; N282-A300 PolarHBondContact N-O 3.26Å; N282-A300 PolarHBondContact OD1-N 2.8Å; N282-A300 PolarHBondContact OD1-O 3.12Å; I288-A300 HydrophobicContact CG2-CB 4.42Å; A292-A300 CarbonylContact O-C 3.57Å; A292-A300 WeakPolarHBondContact O-CA 3.19Å
301	Y	90.7	Very high	84.7	Confident	1 Å²	1	51.8 Å²	51.8	0%	0.004	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	140.5	-179.3	-54.4	-87.4	0	0	0	111.3	H268 F270 N282 L283 I288 A292 C299 L306 V309	H268-Y301 AromaticContact CE1-CE2 3.88Å; F270-Y301 AromaticContact CE1-CD2 3.57Å; F270-Y301 HydrophobicContact CE1-CD2 3.57Å; F270-Y301 AromaticContact CE1-CE2 3.76Å; F270-Y301 HydrophobicContact CE1-CE2 3.76Å; F270-Y301 HydrophobicContact CZ-CD2 4.14Å; F270-Y301 HydrophobicContact CZ-CE2 4.2Å; N282-Y301 HydrophobicContact CB-CD1 4.18Å; N282-Y301 HydrophobicContact CB-CE1 3.57Å; L283-Y301 HydrophobicContact CB-CD1 3.83Å; L283-Y301 HydrophobicContact CB-CE1 4.01Å; I288-Y301 VanDerWaalsContact CD1-O 3.29Å; I288-Y301 WeakPolarHBondContact CD1-O 3.11Å; A292-Y301 PolarHBondContact N-O 3.46Å; A292-Y301 PolarHBondContact O-N 3.2Å; C299-Y301 HydrophobicContact CB-CE2 3.52Å; C299-Y301 WeakPolarHBondContact CB-OH 3.49Å; Y301-L306 HydrophobicContact CD2-CD2 4.38Å; Y301-L306 HydrophobicContact CG-CD2 4.41Å; Y301-V309 HydrophobicContact CD1-CG1 4.39Å; Y301-V309 HydrophobicContact CD1-CG2 3.4Å; Y301-V309 VanDerWaalsContact CD1-CG2 3.4Å; Y301-V309 HydrophobicContact CD2-CG2 4.21Å; Y301-V309 HydrophobicContact CE1-CB 4.42Å; Y301-V309 HydrophobicContact CE1-CG1 3.79Å; Y301-V309 HydrophobicContact CE1-CG2 3.62Å; Y301-V309 HydrophobicContact CE2-CG1 4.07Å; Y301-V309 HydrophobicContact CE2-CG2 4.4Å; Y301-V309 HydrophobicContact CG-CG2 3.71Å
302	H	92.4	Very high	83.7	Confident	14 Å²	14	53.1 Å²	53.1	7%	0.065	27%	0.266	C	S	.	.			trans	-61	150.9	169.4	-58.7	113.8	0	0	0	109.8	C281 C284 K286 S287 R304 C305 L306	C281-H302 WeakPolarHBondContact CB-CE1 3.46Å; C281-H302 VanDerWaalsContact CB-ND1 3.34Å; C281-H302 WeakPolarHBondContact CB-ND1 3.41Å; C284-H302 PolarHBondContact SG-CE1 3.27Å; C284-H302 PolarHBondContact SG-ND1 3.24Å; K286-H302 PolarHBondContact O-CE1 3.07Å; S287-H302 PolarHBondContact O-NE2 2.99Å; H302-R304 HydrophobicContact CB-CG 3.79Å; H302-R304 PolarHBondContact CE1-NH2 3.21Å; H302-R304 PolarHBondContact ND1-NH2 3.32Å; H302-R304 PolarHBondContact O-N 2.91Å; H302-C305 HydrophobicContact CB-CB 4.17Å; H302-C305 WeakPolarHBondContact O-CA 3.49Å; H302-C305 WeakPolarHBondContact O-CB 3.5Å; H302-C305 PolarHBondContact O-N 3.11Å; H302-L306 PolarHBondContact O-N 2.92Å; H302-L306 VanDerWaalsContact O-N 3.16Å
303	N	90.7	Very high	82.6	Confident	80 Å²	80	53 Å²	53	43%	0.428	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-36.9	175.1	-66.7	-28.6	0	0	0	112.3	G291 C305	G291-N303 WeakPolarHBondContact CA-OD1 3.48Å; N303-C305 PolarHBondContact O-N 3.07Å
304	R	90.9	Very high	81.2	Confident	121 Å²	121	53.4 Å²	53.4	46%	0.457	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-15.8	173	71.9	-173	177.4	-167.6	-5.8	114.9	H302 E415	H302-R304 HydrophobicContact CB-CG 3.79Å; H302-R304 PolarHBondContact CE1-NH2 3.21Å; H302-R304 PolarHBondContact ND1-NH2 3.32Å; H302-R304 PolarHBondContact O-N 2.91Å; R304-E415 WeakPolarHBondContact CD-OE2 3.48Å; R304-E415 IonicContact CZ-OE2 2.76Å; R304-E415 IonicContact NE-OE2 2.71Å; R304-E415 IonicContact NH1-OE1 3.03Å; R304-E415 IonicContact NH1-OE2 3.29Å; R304-E415 PolarHBondContact NH1-OE2 2.76Å
305	C	90.4	Very high	79.5	Confident	10 Å²	10	56 Å²	56	7%	0.068	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-27.4	-179.3	-70.2	0	0	0	0	112.5	C281 L283 C284 H302 N303 P307 R308 V309	C281-C305 VanDerWaalsContact SG-SG 3.63Å; L283-C305 HydrophobicContact CD2-CB 3.96Å; L283-C305 WeakPolarHBondContact CD2-O 3.43Å; C284-C305 VanDerWaalsContact SG-SG 3.61Å; H302-C305 HydrophobicContact CB-CB 4.17Å; H302-C305 WeakPolarHBondContact O-CA 3.49Å; H302-C305 WeakPolarHBondContact O-CB 3.5Å; H302-C305 PolarHBondContact O-N 3.11Å; N303-C305 PolarHBondContact O-N 3.07Å; C305-P307 VanDerWaalsContact C-CD 3.4Å; C305-P307 VanDerWaalsContact C-N 3.32Å; C305-R308 PolarHBondContact O-N 3.35Å; C305-V309 PolarHBondContact O-N 2.93Å
306	L	88.9	Confident	77.4	Confident	46 Å²	46	52.1 Å²	52.1	24%	0.241	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-48.8	-41.3	179.1	-68.9	171.4	0	0	0	114.5	F270 A292 Y301 H302 R308 V309	F270-L306 HydrophobicContact CD1-CD2 3.87Å; F270-L306 HydrophobicContact CD2-CD2 3.96Å; F270-L306 HydrophobicContact CE1-CD2 3.73Å; F270-L306 HydrophobicContact CE2-CD2 3.79Å; F270-L306 HydrophobicContact CG-CD2 4Å; F270-L306 HydrophobicContact CZ-CD2 3.67Å; A292-L306 HydrophobicContact CB-CD1 3.93Å; A292-L306 HydrophobicContact CB-CD2 4.26Å; Y301-L306 HydrophobicContact CD2-CD2 4.38Å; Y301-L306 HydrophobicContact CG-CD2 4.41Å; H302-L306 PolarHBondContact O-N 2.92Å; H302-L306 VanDerWaalsContact O-N 3.16Å; L306-R308 PolarHBondContact O-N 3.27Å; L306-V309 PolarHBondContact O-N 3.46Å
307	P	87.9	Confident	76.1	Confident	115 Å²	115	52.3 Å²	52.3	75%	0.747	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-67.3	-4.4	177.6	-20.8	34.4	0	0	0	115.4	C305	C305-P307 VanDerWaalsContact C-CD 3.4Å; C305-P307 VanDerWaalsContact C-N 3.32Å
308	R	86.6	Confident	74.4	Confident	197 Å²	197	54.3 Å²	54.3	74%	0.743	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-119.1	4.5	179.3	-71.9	-179.4	55.6	-176	-4.4	113.1	L283 C305 L306	L283-R308 HydrophobicContact CD2-CB 3.55Å; C305-R308 PolarHBondContact O-N 3.35Å; L306-R308 PolarHBondContact O-N 3.27Å
309	V	82	Confident	72.5	Confident	24 Å²	24	57.4 Å²	57.4	15%	0.145	29%	0.288	C	S	.	.	S	Bend	trans	-82.7	148.3	171.7	-168.5	0	0	0	0	108	F270 L283 Y301 C305 L306	F270-V309 HydrophobicContact CZ-CG1 4.34Å; L283-V309 HydrophobicContact CD2-CG2 4.17Å; Y301-V309 HydrophobicContact CD1-CG1 4.39Å; Y301-V309 HydrophobicContact CD1-CG2 3.4Å; Y301-V309 VanDerWaalsContact CD1-CG2 3.4Å; Y301-V309 HydrophobicContact CD2-CG2 4.21Å; Y301-V309 HydrophobicContact CE1-CB 4.42Å; Y301-V309 HydrophobicContact CE1-CG1 3.79Å; Y301-V309 HydrophobicContact CE1-CG2 3.62Å; Y301-V309 HydrophobicContact CE2-CG1 4.07Å; Y301-V309 HydrophobicContact CE2-CG2 4.4Å; Y301-V309 HydrophobicContact CG-CG2 3.71Å; C305-V309 PolarHBondContact O-N 2.93Å; L306-V309 PolarHBondContact O-N 3.46Å
310	D	79	Confident	70.4	Confident	84 Å²	84	61.4 Å²	61.4	45%	0.449	31%	0.309	S	S	.	.			trans	-56.4	153.6	165.7	-160.2	-40.5	0	0	0	109.9	H268 N312	H268-D310 PolarHBondContact CD2-O 3.1Å; H268-D310 VanDerWaalsContact CD2-O 3.24Å; D310-N312 VanDerWaalsContact C-N 3.28Å; D310-N312 PolarHBondContact OD1-N 3.5Å; D310-N312 PolarHBondContact OD1-ND2 3.42Å
311	K	74.5	Confident	67.9	Low	160 Å²	160	63.8 Å²	63.8	70%	0.696	32%	0.323	S	S	*	.	S	Bend	trans	-70.6	-31.5	169.2	-62.7	-177.4	179.9	-178.3	0	110.9	E267 H268	E267-K311 WeakPolarHBondContact CA-O 3.49Å; H268-K311 PolarHBondContact N-O 3.33Å
312	N	69.4	Low	65	Low	30 Å²	30	70.3 Å²	70.3	16%	0.16	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-79.8	120.9	-177	-49.2	-60.5	0	0	0	111	R265 H268 D310 L314	R265-N312 WeakPolarHBondContact CD-OD1 3.12Å; H268-N312 PolarHBondContact CD2-O 3.27Å; H268-N312 PolarHBondContact NE2-O 2.91Å; D310-N312 VanDerWaalsContact C-N 3.28Å; D310-N312 PolarHBondContact OD1-N 3.5Å; D310-N312 PolarHBondContact OD1-ND2 3.42Å; N312-L314 WeakPolarHBondContact CB-O 3.37Å; N312-L314 PolarHBondContact O-N 2.72Å
313	C	68	Low	62.1	Low	0 Å²	0	79.4 Å²	79.4	0%	0	39%	0.386	C	S	.	.	S	Bend	trans	-60	-31.4	176.2	-169.9	0	0	0	0	112.5	L266 C294 A296 C297 R756	L266-C313 HydrophobicContact CB-CB 4.23Å; L266-C313 HydrophobicContact CD2-CB 4.16Å; L266-C313 HydrophobicContact CG-CB 3.98Å; L266-C313 WeakPolarHBondContact O-CA 3.25Å; L266-C313 WeakPolarHBondContact O-CB 3.49Å; L266-C313 PolarHBondContact O-N 3.08Å; C294-C313 VanDerWaalsContact SG-SG 3.65Å; A296-C313 VanDerWaalsContact CB-SG 3.53Å; C297-C313 WeakPolarHBondContact CB-SG 3.46Å; C297-C313 PolarHBondContact N-SG 3.39Å; C297-C313 PolarHBondContact SG-SG 2.95Å; C313-R756 PolarHBondContact O-NH1 2.92Å
314	L	58.7	Low	59.1	Low	41 Å²	41	81.7 Å²	81.7	22%	0.215	40%	0.403	C	S	.	.	S	Bend	trans	-120.9	121.9	160.2	-74.1	162	0	0	0	107.2	N312 H752	N312-L314 WeakPolarHBondContact CB-O 3.37Å; N312-L314 PolarHBondContact O-N 2.72Å; L314-H752 WeakPolarHBondContact CD2-CE1 3.4Å; L314-H752 WeakPolarHBondContact CG-CE1 3.47Å; L314-H752 WeakPolarHBondContact CG-NE2 3.45Å
315	S	48.9	Very low	56.1	Low	56 Å²	56	78.9 Å²	78.9	39%	0.392	41%	0.411	S	S	.	.			trans	-56.7	136.6	141	47.6	0	0	0	0	106.8
316	N	36.9	Very low	53.2	Low	39 Å²	39	83.4 Å²	83.4	21%	0.209	44%	0.435	C	S	.	.			trans	-62.9	151.9	-167.8	-62.4	-53.3	0	0	0	110.8	D318 D319	N316-D318 PolarHBondContact O-N 3.3Å; N316-D318 VanDerWaalsContact O-N 3.11Å; N316-D319 HydrophobicContact CB-CB 4.45Å; N316-D319 VanDerWaalsContact CB-OD2 3.3Å; N316-D319 WeakPolarHBondContact CB-OD2 3.46Å; N316-D319 PolarHBondContact N-OD2 3.17Å; N316-D319 PolarHBondContact ND2-OD1 2.85Å; N316-D319 PolarHBondContact ND2-OD2 3.33Å; N316-D319 PolarHBondContact O-N 3.03Å
317	L	42.6	Very low	50.5	Low	41 Å²	41	90 Å²	90	22%	0.215	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.1	174	-60	-179.9	0	0	0	111.2	K740 L743 L759	L317-K740 WeakPolarHBondContact O-CE 3.46Å; L317-K740 PolarHBondContact O-NZ 3.47Å; L317-L743 HydrophobicContact CD1-CB 4.01Å; L317-L743 HydrophobicContact CD2-CB 4.06Å; L317-L743 HydrophobicContact CD2-CD1 4.18Å; L317-L759 HydrophobicContact CD2-CD1 3.7Å
318	D	37.4	Very low	47.8	Very low	44 Å²	44	92.5 Å²	92.5	24%	0.235	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-20.8	-177.5	-51.8	-93.2	0	0	0	115.7	R260 N316 D320 V321	R260-D318 WeakPolarHBondContact CD-OD1 3.36Å; R260-D318 IonicContact CZ-OD1 3.73Å; R260-D318 IonicContact NE-OD1 3.45Å; R260-D318 IonicContact NH1-OD1 2.68Å; R260-D318 PolarHBondContact NH1-OD1 3.03Å; N316-D318 PolarHBondContact O-N 3.3Å; N316-D318 VanDerWaalsContact O-N 3.11Å; D318-D320 PolarHBondContact O-N 3.42Å; D318-V321 PolarHBondContact O-N 2.8Å; D318-V321 VanDerWaalsContact O-N 3.09Å
319	D	38.3	Very low	45	Very low	88 Å²	88	87.3 Å²	87.3	47%	0.471	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-4.8	-162.5	-70.5	-25.1	0	0	0	115.8	N316	N316-D319 HydrophobicContact CB-CB 4.45Å; N316-D319 VanDerWaalsContact CB-OD2 3.3Å; N316-D319 WeakPolarHBondContact CB-OD2 3.46Å; N316-D319 PolarHBondContact N-OD2 3.17Å; N316-D319 PolarHBondContact ND2-OD1 2.85Å; N316-D319 PolarHBondContact ND2-OD2 3.33Å; N316-D319 PolarHBondContact O-N 3.03Å
320	D	36.1	Very low	42.5	Very low	93 Å²	93	90.3 Å²	90.3	50%	0.497	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	18.3	174.9	-40	-90	0	0	0	113.7	D318 K740	D318-D320 PolarHBondContact O-N 3.42Å; D320-K740 HydrophobicContact CB-CD 4.01Å; D320-K740 IonicContact OD2-NZ 3.21Å; D320-K740 PolarHBondContact OD2-NZ 2.97Å
321	V	36.1	Very low	40.2	Very low	56 Å²	56	96.9 Å²	96.9	34%	0.339	51%	0.505	S	S	.	.	S	Bend	trans	-113.5	111.4	171.1	-165.1	0	0	0	0	107.9	D318 K740	D318-V321 PolarHBondContact O-N 2.8Å; D318-V321 VanDerWaalsContact O-N 3.09Å; V321-K740 HydrophobicContact CG2-CD 4.46Å; V321-K740 HydrophobicContact CG2-CG 3.94Å
322	F	30.2	Very low	38.1	Very low	137 Å²	137	96.2 Å²	96.2	60%	0.601	51%	0.509	S	S	*	.	S	Bend	trans	72.7	51.5	-174.4	-56	-80.8	0	0	0	118.6
323	Y	30.7	Very low	35.9	Very low	205 Å²	205	100.1 Å²	100.1	80%	0.804	54%	0.539	S	S	*	.			trans	-147.2	70	158.2	-105.1	-66.9	0	0	0	115.8
324	V	28.6	Very low	34	Very low	129 Å²	129	109.1 Å²	109.1	78%	0.782	59%	0.586	S	S	*	*			trans	-131.8	59.4	163.8	-165.8	0	0	0	0	110.5	L738	V324-L738 HydrophobicContact CB-CD2 4.47Å; V324-L738 HydrophobicContact CG2-CD2 4.43Å
325	G	27.7	Very low	32.6	Very low	61 Å²	61	110.6 Å²	110.6	63%	0.629	61%	0.611	S	S	*	*	S	Bend	trans	-107.5	-38.9	179.9	0	0	0	0	0	115.5
326	D	29.3	Very low	31.6	Very low	106 Å²	106	115 Å²	115	57%	0.567	64%	0.636	S	S	*	*	S	Bend	trans	-125.7	3.5	-147.8	-146.3	-12.3	0	0	0	116.4	S330	D326-S330 PolarHBondContact O-OG 3.17Å; D326-S330 PolarHBondContact OD1-OG 3.22Å
327	Q	31.3	Very low	31.3	Very low	183 Å²	183	118.4 Å²	118.4	86%	0.855	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	1.7	179.8	-66.7	-162.7	31.5	0	0	115.1
328	L	31.3	Very low	30.5	Very low	169 Å²	169	124.2 Å²	124.2	89%	0.885	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.7	-26.8	175.7	-72.7	169.2	0	0	0	113.5
329	S	28.5	Very low	30.3	Very low	88 Å²	88	128.3 Å²	128.3	62%	0.615	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-39.6	176.6	-50.5	0	0	0	0	112.2	R331	S329-R331 VanDerWaalsContact C-N 3.3Å; S329-R331 PolarHBondContact O-N 3.07Å
330	S	29.8	Very low	29.7	Very low	86 Å²	86	129 Å²	129	60%	0.601	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	21.9	-162.5	-58.9	0	0	0	0	114.7	D326	D326-S330 PolarHBondContact O-OG 3.17Å; D326-S330 PolarHBondContact OD1-OG 3.22Å
331	R	30.3	Very low	29.3	Very low	223 Å²	223	132 Å²	132	84%	0.842	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	-3.5	172.2	-90.9	-174.5	171.2	-178.5	-0.9	115.1	S329	S329-R331 VanDerWaalsContact C-N 3.3Å; S329-R331 PolarHBondContact O-N 3.07Å
332	N	29.2	Very low	29	Very low	146 Å²	146	138.2 Å²	138.2	78%	0.781	78%	0.777	S	S	*	*	S	Bend	trans	-116	44.7	-178.6	-75.3	-12.3	0	0	0	113.3
333	S	24.7	Very low	28.9	Very low	112 Å²	112	134.4 Å²	134.4	78%	0.783	78%	0.777	S	S	*	*			trans	-162.2	82.1	169.3	-84	0	0	0	0	113.8
334	L	28.1	Very low	29	Very low	188 Å²	188	129.9 Å²	129.9	98%	0.984	78%	0.775	S	S	*	*			trans	-168.3	134.1	160.8	-112.5	146.6	0	0	0	110.5
335	G	29.2	Very low	29	Very low	72 Å²	72	130.2 Å²	130.2	74%	0.742	77%	0.772	S	S	*	*			trans	111.9	74.4	173.4	0	0	0	0	0	115.7
336	T	26.7	Very low	29.1	Very low	149 Å²	149	138.4 Å²	138.4	91%	0.914	78%	0.784	S	S	*	*			trans	-78.8	114.4	172.1	48.1	0	0	0	0	112.4
337	S	31.2	Very low	28.9	Very low	111 Å²	111	141 Å²	141	78%	0.776	80%	0.797	S	S	*	*			trans	-160.6	113.2	157.9	60	0	0	0	0	113.9
338	N	26.6	Very low	28.8	Very low	163 Å²	163	138.6 Å²	138.6	87%	0.872	80%	0.795	S	S	*	*			trans	-1.2	115.4	161.4	-55.8	-12.8	0	0	0	119.2
339	S	31.7	Very low	28.6	Very low	130 Å²	130	135.2 Å²	135.2	91%	0.909	79%	0.786	S	S	*	*				-166.6	153	118.1	27.7	0	0	0	0	111.4
340	S	25.8	Very low	28.4	Very low	102 Å²	102	136.2 Å²	136.2	71%	0.713	79%	0.793	S	S	*	*			trans	-92	148	-171.3	53	0	0	0	0	113.7
341	I	29.5	Very low	28.2	Very low	157 Å²	157	140 Å²	140	81%	0.805	81%	0.806	S	S	*	*				-179.9	152.5	119.9	-91.6	153.9	0	0	0	111.1
342	H	28.8	Very low	28.2	Very low	186 Å²	186	134.3 Å²	134.3	86%	0.861	81%	0.807	S	S	*	*			trans	-29.6	152.7	179	-65.4	-107	0	0	0	119
343	G	27.8	Very low	28	Very low	57 Å²	57	134.2 Å²	134.2	59%	0.588	81%	0.811	S	S	*	*			cis	159.2	176.5	-2.3	0	0	0	0	0	114.2
344	S	33.9	Very low	28.4	Very low	110 Å²	110	135 Å²	135	77%	0.769	81%	0.814	S	S	*	*			trans	61.7	116.8	179.3	36.7	0	0	0	0	116.8
345	N	27.9	Very low	28.1	Very low	136 Å²	136	129 Å²	129	73%	0.727	80%	0.798	S	S	*	*				73.1	136.1	74.4	-68.4	2	0	0	0	112.7
346	W	30	Very low	27.9	Very low	232 Å²	232	134.4 Å²	134.4	88%	0.879	80%	0.797	S	S	*	*			cis	-141.8	159.6	42.1	-74.8	82.3	0	0	0	116.7
347	L	24	Very low	27.8	Very low	161 Å²	161	132.1 Å²	132.1	84%	0.843	78%	0.783	S	S	*	*			trans	-114	145.2	166.3	-89.1	160.3	0	0	0	109.7
348	V	29.4	Very low	27.7	Very low	132 Å²	132	133.6 Å²	133.6	80%	0.8	78%	0.777	S	S	*	*			trans	-146	143.4	155.8	-177.6	0	0	0	0	110.7
349	S	27.5	Very low	27.5	Very low	99 Å²	99	130.4 Å²	130.4	69%	0.692	76%	0.756	S	S	*	*			trans	-36.1	149.2	171	-49.9	0	0	0	0	116.4
350	S	25	Very low	27.3	Very low	109 Å²	109	132.8 Å²	132.8	76%	0.762	75%	0.746	S	S	*	*			cis	81.3	135.5	39.3	-52.2	0	0	0	0	115.8
351	N	24.9	Very low	27.3	Very low	166 Å²	166	136.6 Å²	136.6	89%	0.888	75%	0.753	S	S	*	*			trans	82.6	94.8	169.2	-59.1	-3.4	0	0	0	119.9
352	A	29.5	Very low	27.1	Very low	103 Å²	103	138.4 Å²	138.4	85%	0.851	76%	0.755	S	S	*	*			trans	-157.5	154.2	137.9	0	0	0	0	0	110
353	T	26.2	Very low	27	Very low	143 Å²	143	135.7 Å²	135.7	88%	0.877	75%	0.747	S	S	*	*			trans	-96.2	174.4	-169.3	14.4	0	0	0	0	113.5
354	P	32.4	Very low	27.1	Very low	129 Å²	129	138.7 Å²	138.7	84%	0.838	76%	0.756	S	S	*	*			trans	-100.3	163.4	-143.6	39.7	-38.8	0	0	0	116
355	G	22.8	Very low	26.9	Very low	63 Å²	63	140.8 Å²	140.8	65%	0.649	75%	0.753	S	S	*	*			trans	175.1	158.9	164.6	0	0	0	0	0	114.1
356	Y	25.1	Very low	26.9	Very low	184 Å²	184	142.1 Å²	142.1	72%	0.722	76%	0.76	S	S	*	*			trans	57.6	105.8	160.3	-68	-83.2	0	0	0	120.8
357	T	24.3	Very low	27	Very low	102 Å²	102	139.1 Å²	139.1	63%	0.626	76%	0.761	S	S	*	*			trans	8.1	111	132.6	55.6	0	0	0	0	117.4
358	H	27.9	Very low	27.1	Very low	141 Å²	141	137.7 Å²	137.7	65%	0.653	76%	0.759	S	S	*	*			trans	-125.5	116.2	161.1	-102.8	-92.7	0	0	0	111.6	Y360	H358-Y360 HydrophobicContact CB-CD2 4.07Å; H358-Y360 HydrophobicContact CB-CE2 3.57Å; H358-Y360 AromaticContact ND1-CZ 3.75Å
359	F	23.3	Very low	26.9	Very low	97 Å²	97	136.8 Å²	136.8	43%	0.425	75%	0.754	S	S	.	*			trans	-56.2	139.1	149.8	-101.9	-65.7	0	0	0	108.2	S139 Q140	S139-F359 VanDerWaalsContact O-CE2 3.32Å; S139-F359 WeakPolarHBondContact O-CE2 3.34Å; S139-F359 VanDerWaalsContact OG-CD2 3.23Å; S139-F359 WeakPolarHBondContact OG-CD2 3.43Å; S139-F359 WeakPolarHBondContact OG-CE1 3.48Å; S139-F359 WeakPolarHBondContact OG-CE2 3.18Å; S139-F359 WeakPolarHBondContact OG-CG 3.35Å; S139-F359 VanDerWaalsContact OG-CZ 3.23Å; S139-F359 WeakPolarHBondContact OG-CZ 3.31Å; Q140-F359 HydrophobicContact CB-CD2 3.68Å; Q140-F359 HydrophobicContact CB-CE2 3.84Å; Q140-F359 HydrophobicContact CG-CD2 3.65Å; Q140-F359 HydrophobicContact CG-CE2 4.21Å
360	Y	28.3	Very low	26.9	Very low	180 Å²	180	139 Å²	139	71%	0.706	76%	0.763	S	S	*	*			trans	-123.6	120.3	156	-81.4	-73.4	0	0	0	110.7	H358 F362	H358-Y360 HydrophobicContact CB-CD2 4.07Å; H358-Y360 HydrophobicContact CB-CE2 3.57Å; H358-Y360 AromaticContact ND1-CZ 3.75Å; Y360-F362 PolarHBondContact O-N 2.9Å
361	H	24.7	Very low	27	Very low	182 Å²	182	144.1 Å²	144.1	84%	0.843	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-57.4	121.5	166.1	-119.9	-83	0	0	0	108.5	N363	H361-N363 PolarHBondContact O-N 3.01Å
362	F	26.5	Very low	26.9	Very low	195 Å²	195	142.2 Å²	142.2	86%	0.855	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-78.3	116.5	167.3	-111.4	-88.9	0	0	0	109.2	Y360	Y360-F362 PolarHBondContact O-N 2.9Å
363	N	26.1	Very low	26.8	Very low	129 Å²	129	145.2 Å²	145.2	69%	0.69	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-103.9	116.9	175.5	-158.3	36.1	0	0	0	108.4	H361 E365	H361-N363 PolarHBondContact O-N 3.01Å; N363-E365 PolarHBondContact O-N 3.31Å; N363-E365 VanDerWaalsContact O-N 3.1Å
364	P	28.8	Very low	26.8	Very low	119 Å²	119	143.8 Å²	143.8	77%	0.773	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	62.5	-160.3	36.9	-38.4	0	0	0	114
365	E	30.6	Very low	26.6	Very low	154 Å²	154	146 Å²	146	72%	0.72	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.1	-31.6	175	-65.1	-164.3	141.5	0	0	114.8	N363 L367	N363-E365 PolarHBondContact O-N 3.31Å; N363-E365 VanDerWaalsContact O-N 3.1Å; E365-L367 PolarHBondContact O-N 2.75Å
366	D	28.9	Very low	26.8	Very low	164 Å²	164	147.8 Å²	147.8	88%	0.877	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	74.7	-178.5	-81.1	-50.5	0	0	0	114.1
367	L	30.1	Very low	27	Very low	170 Å²	170	146.5 Å²	146.5	89%	0.89	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-155	25	157.2	-117.4	165.3	0	0	0	115.7	E365	E365-L367 PolarHBondContact O-N 2.75Å
368	T	26	Very low	27.2	Very low	130 Å²	130	145.4 Å²	145.4	80%	0.798	78%	0.779	S	S	*	*			trans	-101.3	83.8	173.5	52.7	0	0	0	0	112.8
369	T	26	Very low	27.2	Very low	114 Å²	114	142.6 Å²	142.6	70%	0.699	79%	0.789	S	S	*	*			trans	-165.2	105.9	149.4	-76.4	0	0	0	0	111.2	R371	T369-R371 HydrophobicContact CG2-CG 4.16Å
370	V	27.8	Very low	27.4	Very low	145 Å²	145	141.5 Å²	141.5	88%	0.879	81%	0.805	S	S	*	*			trans	-129.1	118.6	146.8	177.7	0	0	0	0	106	V372	V370-V372 PolarHBondContact O-N 2.91Å
371	R	26.5	Very low	27.3	Very low	216 Å²	216	143.8 Å²	143.8	82%	0.815	81%	0.814	S	S	*	*			trans	-75.3	124.5	-168.2	-70.1	178.3	174.3	163.9	-2.8	111.6	T369 L373	T369-R371 HydrophobicContact CG2-CG 4.16Å; R371-L373 PolarHBondContact O-N 2.54Å
372	V	24.1	Very low	27.5	Very low	127 Å²	127	141.9 Å²	141.9	77%	0.77	81%	0.81	S	S	*	*			trans	-71.7	121	156.8	177.4	0	0	0	0	107.8	V370 T374	V370-V372 PolarHBondContact O-N 2.91Å; V372-T374 HydrophobicContact CG1-CG2 4.16Å
373	L	27.1	Very low	27.5	Very low	165 Å²	165	136.9 Å²	136.9	86%	0.864	80%	0.799	S	S	*	*			trans	-97.4	108.4	162.8	-79.8	173.6	0	0	0	108.6	R371	R371-L373 PolarHBondContact O-N 2.54Å
374	T	25.4	Very low	27.7	Very low	114 Å²	114	138.2 Å²	138.2	70%	0.699	81%	0.806	S	S	*	*			trans	-75.1	134.1	173.9	50.5	0	0	0	0	110.7	V372	V372-T374 HydrophobicContact CG1-CG2 4.16Å
375	N	28.8	Very low	27.6	Very low	174 Å²	174	139.2 Å²	139.2	93%	0.93	81%	0.805	S	S	*	*			trans	-153	123.9	142.3	-111.9	-17.2	0	0	0	110.3
376	S	26.7	Very low	27.6	Very low	101 Å²	101	140 Å²	140	71%	0.706	81%	0.813	S	S	*	*			trans	-123.9	124.7	-172	54.1	0	0	0	0	110.9
377	T	29.9	Very low	27.4	Very low	157 Å²	157	138.5 Å²	138.5	96%	0.963	80%	0.804	S	S	*	*			trans	174.1	160.7	148.7	21.7	0	0	0	0	109.4
378	G	27.7	Very low	27.4	Very low	79 Å²	79	138.9 Å²	138.9	81%	0.814	81%	0.807	S	S	*	*			trans	137.2	-20.9	147.9	0	0	0	0	0	120.2
379	G	27.3	Very low	27.5	Very low	83 Å²	83	140.4 Å²	140.4	86%	0.856	80%	0.804	S	S	*	*			trans	63.5	-162.6	173.7	0	0	0	0	0	116.2
380	G	27.4	Very low	27.6	Very low	73 Å²	73	140.1 Å²	140.1	75%	0.753	81%	0.807	S	S	*	*			trans	105.3	99.2	175.6	0	0	0	0	0	115.3
381	Y	26.8	Very low	27.6	Very low	229 Å²	229	141.2 Å²	141.2	90%	0.898	80%	0.803	S	S	*	*			trans	-61.5	148.8	154.5	-36.4	-86.7	0	0	0	107.6
382	D	29.1	Very low	27.8	Very low	142 Å²	142	142.1 Å²	142.1	76%	0.759	81%	0.808	S	S	*	*				-165.6	174.8	56.4	-144.4	-42.5	0	0	0	113.3
383	S	26.9	Very low	28	Very low	90 Å²	90	144.4 Å²	144.4	63%	0.629	81%	0.814	S	S	*	*			trans	-33.4	129.2	166.3	-46.1	0	0	0	0	116.7
384	N	30.2	Very low	28.2	Very low	157 Å²	157	142.4 Å²	142.4	84%	0.84	81%	0.812	S	S	*	*				-174.5	162.1	114.4	-102.8	-62.7	0	0	0	114.4
385	N	27	Very low	28.6	Very low	140 Å²	140	142 Å²	142	75%	0.749	82%	0.82	S	S	*	*			trans	-81.3	152.3	174.7	-59.9	-87.1	0	0	0	111.6
386	L	29.1	Very low	28.7	Very low	170 Å²	170	138.4 Å²	138.4	89%	0.89	81%	0.808	S	S	*	*			trans	-156.1	127.3	135	-113.5	164.8	0	0	0	110.9
387	L	25.2	Very low	28.9	Very low	132 Å²	132	143.8 Å²	143.8	69%	0.691	82%	0.819	S	S	*	*			trans	-81.7	144.7	165.1	-65.8	96.4	0	0	0	108.9
388	L	30.2	Very low	28.9	Very low	179 Å²	179	140 Å²	140	94%	0.937	81%	0.811	S	S	*	*			trans	-96	135.8	152.3	-129.8	73.5	0	0	0	108.9
389	H	28.8	Very low	29	Very low	161 Å²	161	142.7 Å²	142.7	75%	0.745	82%	0.818	S	S	*	*			trans	-104.9	151.4	-168.4	-132.7	51.7	0	0	0	111.8
390	S	27.7	Very low	29.3	Very low	109 Å²	109	142.3 Å²	142.3	76%	0.762	81%	0.814	S	S	*	*			trans	-75	136.5	169.6	177.7	0	0	0	0	110.6
391	Q	28.9	Very low	29.3	Very low	168 Å²	168	143.2 Å²	143.2	79%	0.785	82%	0.823	S	S	*	*			trans	-145.8	120.9	157.7	-67.5	-168.4	1.8	0	0	109.7
392	Y	29.6	Very low	29.3	Very low	235 Å²	235	135.3 Å²	135.3	92%	0.922	81%	0.811	S	S	*	*			trans	-171.6	102.1	144.9	-98.3	-60.1	0	0	0	109.9
393	L	28.1	Very low	29.3	Very low	174 Å²	174	137.8 Å²	137.8	91%	0.911	82%	0.818	S	S	*	*			trans	-149.6	137.7	152.7	-96.4	179.4	0	0	0	107.6
394	P	31.8	Very low	29.4	Very low	124 Å²	124	143.3 Å²	143.3	81%	0.805	83%	0.831	S	S	*	*			trans	-99.1	148.7	-168	36.9	-34.8	0	0	0	114.5
395	A	34.1	Very low	29.4	Very low	105 Å²	105	141.6 Å²	141.6	87%	0.868	83%	0.828	S	S	*	*			trans	-155.8	149	152.5	0	0	0	0	0	108.9
396	S	29.8	Very low	29.6	Very low	99 Å²	99	146.7 Å²	146.7	69%	0.692	84%	0.837	S	S	*	*			trans	-110.8	164.4	-166.6	-59.5	0	0	0	0	114.2
397	F	31	Very low	29.5	Very low	214 Å²	214	147.1 Å²	147.1	94%	0.939	84%	0.835	S	S	*	*			trans	76.3	141.6	167.5	-58.1	-78.2	0	0	0	118.5
398	G	31.2	Very low	29.7	Very low	76 Å²	76	146.4 Å²	146.4	78%	0.784	84%	0.839	S	S	*	*			trans	130.1	57.5	164.6	0	0	0	0	0	116.8	G400	G398-G400 PolarHBondContact O-N 3.41Å
399	S	29.9	Very low	29.6	Very low	137 Å²	137	145.6 Å²	145.6	96%	0.958	84%	0.835	S	S	*	*			trans	-71	118.1	172.3	-63.5	0	0	0	0	111.9
400	G	32	Very low	29.5	Very low	75 Å²	75	142.2 Å²	142.2	77%	0.773	83%	0.83	S	S	*	*			trans	-173.5	114.5	171.9	0	0	0	0	0	111.1	G398	G398-G400 PolarHBondContact O-N 3.41Å
401	G	27.3	Very low	29.6	Very low	91 Å²	91	144 Å²	144	94%	0.938	83%	0.829	S	S	*	*			trans	-83.6	137.6	-173.7	0	0	0	0	0	113.7
402	G	27.7	Very low	29.5	Very low	64 Å²	64	142.2 Å²	142.2	66%	0.66	83%	0.831	S	S	*	*			trans	-178.4	110.1	173.7	0	0	0	0	0	113.8
403	H	29.8	Very low	29.7	Very low	194 Å²	194	136.7 Å²	136.7	90%	0.898	83%	0.825	S	S	*	*			trans	19.3	107.9	163.7	-70.3	-82.3	0	0	0	120.2
404	F	27.3	Very low	30.1	Very low	206 Å²	206	139.9 Å²	139.9	90%	0.904	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-96.8	129.7	148	-90.4	-87.6	0	0	0	110.5
405	P	31.7	Very low	30.9	Very low	121 Å²	121	139.4 Å²	139.4	79%	0.786	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-74.4	162	172	31	-33.7	0	0	0	112
406	R	30.1	Very low	31.6	Very low	246 Å²	246	146 Å²	146	93%	0.928	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-70.3	151.3	-166	-69.9	-177.5	171.9	-164.2	-2.6	114.8
407	Q	27.1	Very low	32.7	Very low	180 Å²	180	146.8 Å²	146.8	84%	0.841	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-54.3	148.8	160.7	-62.5	167.7	-17	0	0	111.6
408	C	29.2	Very low	34.1	Very low	116 Å²	116	141.4 Å²	141.4	78%	0.784	81%	0.809	S	S	*	*			trans	-132.6	99.2	158.9	-166.7	0	0	0	0	110.1
409	L	28.9	Very low	35.9	Very low	162 Å²	162	142.6 Å²	142.6	85%	0.848	81%	0.805	S	S	*	*			trans	-76.8	122.9	163.6	-74.7	162.9	0	0	0	108.3
410	S	26.6	Very low	37.5	Very low	91 Å²	91	142 Å²	142	64%	0.636	80%	0.796	S	S	*	*			trans	-155.5	155.9	165.6	74.4	0	0	0	0	113.8
411	L	29.1	Very low	39	Very low	145 Å²	145	142.5 Å²	142.5	76%	0.759	79%	0.786	S	S	*	*			trans	63.9	73.2	160	-55	-179.4	0	0	0	119.1	C413	L411-C413 PolarHBondContact O-N 3.34Å; L411-C413 VanDerWaalsContact O-N 3.14Å
412	T	27.6	Very low	40.9	Very low	132 Å²	132	144.7 Å²	144.7	81%	0.81	78%	0.776	S	S	*	*				33.5	71.3	118.9	61.3	0	0	0	0	118.5	R414	T412-R414 VanDerWaalsContact C-N 3.33Å; T412-R414 PolarHBondContact O-N 2.74Å; T412-R414 VanDerWaalsContact O-N 3.13Å
413	C	32.8	Very low	41.9	Very low	119 Å²	119	147.1 Å²	147.1	80%	0.804	78%	0.778	S	S	*	*			trans	-82.9	80.4	160.4	-167.4	0	0	0	0	110.3	L411 E415	L411-C413 PolarHBondContact O-N 3.34Å; L411-C413 VanDerWaalsContact O-N 3.14Å; C413-E415 VanDerWaalsContact C-N 3.32Å; C413-E415 PolarHBondContact O-N 2.88Å
414	R	37.6	Very low	42.7	Very low	241 Å²	241	142.4 Å²	142.4	91%	0.909	77%	0.766	S	S	*	*			trans	-68.5	89	172.4	-167.5	175.6	-172	171.1	2.2	108.2	T412 R416	T412-R414 VanDerWaalsContact C-N 3.33Å; T412-R414 PolarHBondContact O-N 2.74Å; T412-R414 VanDerWaalsContact O-N 3.13Å; R414-R416 PolarHBondContact O-N 3.01Å
415	E	47.4	Very low	43	Very low	113 Å²	113	138.4 Å²	138.4	53%	0.528	75%	0.754	S	S	.	*	P	Polyproline II helix	trans	-48.4	131	-174.3	-74.8	-171.7	123.6	0	0	111	R304 C413 S417	R304-E415 WeakPolarHBondContact CD-OE2 3.48Å; R304-E415 IonicContact CZ-OE2 2.76Å; R304-E415 IonicContact NE-OE2 2.71Å; R304-E415 IonicContact NH1-OE1 3.03Å; R304-E415 IonicContact NH1-OE2 3.29Å; R304-E415 PolarHBondContact NH1-OE2 2.76Å; C413-E415 VanDerWaalsContact C-N 3.32Å; C413-E415 PolarHBondContact O-N 2.88Å; E415-S417 PolarHBondContact O-N 2.71Å
416	R	48.8	Very low	43.1	Very low	244 Å²	244	138.8 Å²	138.8	92%	0.921	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-59.4	123.7	175.1	-81.3	-173.3	171.8	-166.8	-2	109.4	R414	R414-R416 PolarHBondContact O-N 3.01Å
417	S	54.6	Low	43.1	Very low	115 Å²	115	133.5 Å²	133.5	80%	0.804	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-49.2	140.4	160.1	-56.5	0	0	0	0	109.5	E415 S419	E415-S417 PolarHBondContact O-N 2.71Å; S417-S419 PolarHBondContact O-N 3.01Å
418	S	60.6	Low	43.4	Very low	102 Å²	102	129.1 Å²	129.1	71%	0.713	72%	0.721	S	S	*	*			trans	-61.3	112.4	-179.1	52.1	0	0	0	0	110.8
419	S	68	Low	43.4	Very low	101 Å²	101	126.9 Å²	126.9	71%	0.706	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-66.7	168.4	166.4	55.3	0	0	0	0	110.9	S417	S417-S419 PolarHBondContact O-N 3.01Å
420	T	63.7	Low	43.5	Very low	124 Å²	124	124 Å²	124	76%	0.761	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-48.3	125.5	173	-45.5	0	0	0	0	110.8
421	P	63.9	Low	43.9	Very low	86 Å²	86	126.5 Å²	126.5	56%	0.558	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-74	165.3	177.4	31.8	-35.7	0	0	0	111.4	V423	P421-V423 PolarHBondContact O-N 3.5Å
422	N	66.5	Low	44.3	Very low	136 Å²	136	125.4 Å²	125.4	73%	0.727	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-54.2	123.8	175	-67.4	-20.5	0	0	0	111.2	F276 S424	F276-N422 PolarHBondContact O-ND2 2.88Å; N422-S424 PolarHBondContact O-N 3.21Å
423	V	48.1	Very low	44.5	Very low	116 Å²	116	125.2 Å²	125.2	70%	0.703	68%	0.683	S	S	*	*			trans	-82.5	98.5	171.7	-179.3	0	0	0	0	108	P421 N425	P421-V423 PolarHBondContact O-N 3.5Å; V423-N425 VanDerWaalsContact C-N 3.29Å; V423-N425 PolarHBondContact O-N 3.16Å
424	S	48.2	Very low	44.4	Very low	94 Å²	94	129.3 Å²	129.3	66%	0.657	68%	0.681	S	S	*	*			trans	-70.5	87.2	171.3	57.4	0	0	0	0	109.6	N422 N426	N422-S424 PolarHBondContact O-N 3.21Å; S424-N426 VanDerWaalsContact C-N 3.28Å; S424-N426 PolarHBondContact O-N 3.14Å
425	N	32.3	Very low	44.1	Very low	122 Å²	122	121.8 Å²	121.8	65%	0.652	67%	0.665	S	S	*	*			trans	-64.5	89.3	167.9	-97.8	3.2	0	0	0	109.5	V423 L427	V423-N425 VanDerWaalsContact C-N 3.29Å; V423-N425 PolarHBondContact O-N 3.16Å; N425-L427 HydrophobicContact CB-CD1 3.79Å; N425-L427 PolarHBondContact O-N 2.97Å
426	N	35.3	Very low	43.3	Very low	130 Å²	130	123.2 Å²	123.2	70%	0.695	68%	0.676	S	S	*	*			trans	-71.8	56.4	167.4	-71.4	-9.2	0	0	0	110.2	S424 I428	S424-N426 VanDerWaalsContact C-N 3.28Å; S424-N426 PolarHBondContact O-N 3.14Å; N426-I428 PolarHBondContact O-N 3.14Å; N426-I428 VanDerWaalsContact O-N 3.1Å
427	L	30.2	Very low	42.4	Very low	134 Å²	134	121.2 Å²	121.2	70%	0.702	67%	0.674	S	S	*	*			trans	-64.8	109.8	160.1	-89	79.8	0	0	0	106.4	N425	N425-L427 HydrophobicContact CB-CD1 3.79Å; N425-L427 PolarHBondContact O-N 2.97Å
428	I	33	Very low	41.1	Very low	89 Å²	89	119.8 Å²	119.8	46%	0.456	66%	0.661	S	S	.	*			trans	-51	122.6	167.4	-58.3	169.8	0	0	0	106.5	N426 Q432 Q433	N426-I428 PolarHBondContact O-N 3.14Å; N426-I428 VanDerWaalsContact O-N 3.1Å; I428-Q432 HydrophobicContact CG2-CB 3.66Å; I428-Q433 HydrophobicContact CB-CG 4.14Å; I428-Q433 HydrophobicContact CG2-CG 3.82Å
429	P	28.3	Very low	39.5	Very low	69 Å²	69	121.1 Å²	121.1	45%	0.448	67%	0.667	S	S	.	*			trans	-59.1	139.6	-178	23.4	-32.9	0	0	0	109.1	N431 Q432	P429-N431 PolarHBondContact O-N 3.41Å; P429-Q432 HydrophobicContact CG-CB 4.44Å; P429-Q432 HydrophobicContact CG-CG 4.33Å; P429-Q432 PolarHBondContact O-N 3.37Å
430	P	31.2	Very low	37.7	Very low	100 Å²	100	120.9 Å²	120.9	65%	0.649	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.1	-24.7	-170.2	-31.1	36.2	0	0	0	115.4	Q432 Q433	P430-Q432 VanDerWaalsContact C-N 3.33Å; P430-Q432 PolarHBondContact O-N 2.9Å; P430-Q433 PolarHBondContact O-N 3.47Å
431	N	35.1	Very low	36.2	Very low	145 Å²	145	120.7 Å²	120.7	78%	0.775	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-10.8	177.1	-69.2	-9.7	0	0	0	114.8	P429	P429-N431 PolarHBondContact O-N 3.41Å
432	Q	36.8	Very low	34.7	Very low	121 Å²	121	123.3 Å²	123.3	57%	0.565	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-21.1	169.3	-78.5	-178.7	-18	0	0	112.8	I428 P429 P430 R434 S435	I428-Q432 HydrophobicContact CG2-CB 3.66Å; P429-Q432 HydrophobicContact CG-CB 4.44Å; P429-Q432 HydrophobicContact CG-CG 4.33Å; P429-Q432 PolarHBondContact O-N 3.37Å; P430-Q432 VanDerWaalsContact C-N 3.33Å; P430-Q432 PolarHBondContact O-N 2.9Å; Q432-R434 PolarHBondContact O-N 2.79Å; Q432-S435 PolarHBondContact O-OG 3.35Å
433	Q	33.5	Very low	33	Very low	129 Å²	129	120.4 Å²	120.4	60%	0.603	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-6.3	170.7	-68.9	-173.2	-27.7	0	0	113.3	I428 P430	I428-Q433 HydrophobicContact CB-CG 4.14Å; I428-Q433 HydrophobicContact CG2-CG 3.82Å; P430-Q433 PolarHBondContact O-N 3.47Å
434	R	29.1	Very low	32.3	Very low	205 Å²	205	123.8 Å²	123.8	77%	0.774	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	4.5	178.1	-85.6	-170.6	173	-166.4	-1.3	115.9	Q432 T438	Q432-R434 PolarHBondContact O-N 2.79Å; R434-T438 WeakPolarHBondContact O-CG2 3.33Å
435	S	31.4	Very low	31.6	Very low	82 Å²	82	130 Å²	130	57%	0.573	69%	0.694	S	S	*	*	S	Bend	trans	-111.9	12.2	175.6	64.8	0	0	0	0	114.5	Q432	Q432-S435 PolarHBondContact O-OG 3.35Å
436	L	31.5	Very low	31.7	Very low	143 Å²	143	131.8 Å²	131.8	75%	0.749	70%	0.699	S	S	*	*	S	Bend	trans	-120	8.3	177	-70.3	174.1	0	0	0	113.8
437	F	29.3	Very low	31.4	Very low	202 Å²	202	129.4 Å²	129.4	89%	0.886	70%	0.697	S	S	*	*	S	Bend	trans	-149.1	69.5	169.4	-83.3	-70.6	0	0	0	111.1
438	T	26.9	Very low	31.5	Very low	86 Å²	86	130.3 Å²	130.3	53%	0.528	70%	0.703	S	S	.	*			trans	-141.1	104.9	176.9	46	0	0	0	0	111.8	R434 S440	R434-T438 WeakPolarHBondContact O-CG2 3.33Å; T438-S440 PolarHBondContact O-N 2.93Å; T438-S440 VanDerWaalsContact O-N 3.16Å
439	P	27.5	Very low	31.5	Very low	130 Å²	130	135.1 Å²	135.1	84%	0.844	72%	0.72	S	S	*	*			trans	-79.6	93.2	173.5	31.4	-32.6	0	0	0	110.8
440	S	30.6	Very low	31.7	Very low	95 Å²	95	138.7 Å²	138.7	66%	0.664	73%	0.734	S	S	*	*			trans	-156	131.2	176.1	52	0	0	0	0	108.3	T438	T438-S440 PolarHBondContact O-N 2.93Å; T438-S440 VanDerWaalsContact O-N 3.16Å
441	S	31.9	Very low	31.6	Very low	121 Å²	121	140.1 Å²	140.1	85%	0.846	74%	0.735	S	S	*	*			cis	-104.5	141.9	34.8	52	0	0	0	0	117.2
442	L	31.6	Very low	31.3	Very low	140 Å²	140	142.5 Å²	142.5	73%	0.733	74%	0.741	S	S	*	*			trans	-81.4	129	169.3	-79.5	74.8	0	0	0	112.2
443	G	30.9	Very low	31	Very low	75 Å²	75	140.5 Å²	140.5	77%	0.773	75%	0.754	S	S	*	*			trans	-81.4	152.3	136.2	0	0	0	0	0	109.5
444	K	33.3	Very low	30.8	Very low	187 Å²	187	139.5 Å²	139.5	81%	0.813	76%	0.761	S	S	*	*			trans	-104.7	158.5	-170.6	-66.5	178.2	179	175.4	0	113.3
445	R	33.4	Very low	30.7	Very low	225 Å²	225	135.4 Å²	135.4	85%	0.849	76%	0.761	S	S	*	*			trans	78.3	137.6	176.2	-59.5	175.2	174.2	170.6	-3.1	113.8
446	E	34.6	Very low	30.7	Very low	159 Å²	159	139 Å²	139	74%	0.743	77%	0.773	S	S	*	*			cis	-146.4	126.9	-4.1	-105.6	141.9	-151.1	0	0	107.4
447	A	30.4	Very low	30.4	Very low	81 Å²	81	140.5 Å²	140.5	67%	0.669	78%	0.775	S	S	*	*				83.3	107.3	83.3	0	0	0	0	0	116.1
448	N	31	Very low	30.6	Very low	153 Å²	153	138 Å²	138	82%	0.818	77%	0.77	S	S	*	*			trans	71.7	104.4	153.9	-55.2	-31.8	0	0	0	121.5
449	K	33.1	Very low	30.6	Very low	189 Å²	189	139.4 Å²	139.4	82%	0.822	78%	0.778	S	S	*	*				174.5	135.2	105.6	-96.5	172.9	179.1	177.4	0	114.3
450	I	32.4	Very low	30.6	Very low	144 Å²	144	143.1 Å²	143.1	74%	0.738	78%	0.777	S	S	*	*			trans	62.2	139.2	139.3	-59.9	168.2	0	0	0	118.8
451	I	29.9	Very low	30.5	Very low	131 Å²	131	144.1 Å²	144.1	67%	0.672	78%	0.781	S	S	*	*			cis	-172.4	155	-34.6	-116.5	164.3	0	0	0	108.4
452	Q	28.9	Very low	30.2	Very low	194 Å²	194	143.9 Å²	143.9	91%	0.907	77%	0.774	S	S	*	*			trans	65.3	129.8	168.5	-78.1	156.7	15.9	0	0	119.7
453	G	30.2	Very low	30.1	Very low	80 Å²	80	142.3 Å²	142.3	83%	0.825	77%	0.771	S	S	*	*			trans	153.1	89.9	175.3	0	0	0	0	0	111.7
454	S	30	Very low	29.8	Very low	108 Å²	108	144.9 Å²	144.9	76%	0.755	77%	0.767	S	S	*	*			trans	-79.6	141.5	-164.9	54.4	0	0	0	0	115.4
455	P	27	Very low	29.6	Very low	118 Å²	118	145.5 Å²	145.5	77%	0.766	77%	0.765	S	S	*	*			trans	-80.7	138.6	175.5	33	-34.8	0	0	0	112.9	H457	P455-H457 PolarHBondContact O-N 3.16Å
456	L	31.2	Very low	29.4	Very low	158 Å²	158	140.9 Å²	140.9	83%	0.827	76%	0.758	S	S	*	*			trans	-86.2	97.3	175.6	-74.1	176.1	0	0	0	112.2	I458	L456-I458 PolarHBondContact O-N 2.87Å
457	H	25.4	Very low	29	Very low	174 Å²	174	144.4 Å²	144.4	81%	0.806	77%	0.766	S	S	*	*			trans	-63.4	120.1	156.3	-104.5	-102.4	0	0	0	109.6	P455	P455-H457 PolarHBondContact O-N 3.16Å
458	I	31.9	Very low	29	Very low	149 Å²	149	146.7 Å²	146.7	76%	0.764	77%	0.771	S	S	*	*			trans	-109.8	113.5	164.4	-62.3	-177.7	0	0	0	108	L456	L456-I458 PolarHBondContact O-N 2.87Å
459	V	27.6	Very low	28.9	Very low	117 Å²	117	146.2 Å²	146.2	71%	0.709	77%	0.774	S	S	*	*			trans	-82.8	138.4	-177.4	177.7	0	0	0	0	110.3	P461	V459-P461 WeakPolarHBondContact O-CD 3.14Å
460	Y	26.9	Very low	28.7	Very low	207 Å²	207	140.6 Å²	140.6	81%	0.812	77%	0.77	S	S	*	*			trans	-69.1	128.4	175.7	-61.4	-85.1	0	0	0	112	V462	Y460-V462 PolarHBondContact O-N 2.99Å
461	P	28.6	Very low	28.6	Very low	117 Å²	117	142.2 Å²	142.2	76%	0.76	78%	0.78	S	S	*	*			trans	-76.7	99.3	158.6	30.9	-30.3	0	0	0	109.1	V459 T463	V459-P461 WeakPolarHBondContact O-CD 3.14Å; P461-T463 PolarHBondContact O-N 3.15Å
462	V	25.3	Very low	28.7	Very low	115 Å²	115	139.6 Å²	139.6	70%	0.697	79%	0.785	S	S	*	*			trans	-72.5	105.1	169.2	179.2	0	0	0	0	108.4	Y460 N464	Y460-V462 PolarHBondContact O-N 2.99Å; V462-N464 VanDerWaalsContact C-N 3.31Å; V462-N464 PolarHBondContact O-N 2.87Å
463	T	30	Very low	28.7	Very low	107 Å²	107	136.9 Å²	136.9	66%	0.656	78%	0.782	S	S	*	*			trans	-76.3	82.6	174.2	53.6	0	0	0	0	110.3	P461 Y465	P461-T463 PolarHBondContact O-N 3.15Å; T463-Y465 PolarHBondContact O-N 3.23Å; T463-Y465 VanDerWaalsContact O-N 3.07Å
464	N	25.6	Very low	29	Very low	129 Å²	129	138 Å²	138	69%	0.69	78%	0.775	S	S	*	*			trans	-62	105.4	168	-85.6	-3.2	0	0	0	109.9	V462 N466	V462-N464 VanDerWaalsContact C-N 3.31Å; V462-N464 PolarHBondContact O-N 2.87Å; N464-N466 PolarHBondContact O-N 2.94Å
465	Y	28.8	Very low	29	Very low	200 Å²	200	140.5 Å²	140.5	78%	0.784	77%	0.774	S	S	*	*			trans	-80.9	91.6	162.7	-79.2	-82.7	0	0	0	108.8	T463 Y467	T463-Y465 PolarHBondContact O-N 3.23Å; T463-Y465 VanDerWaalsContact O-N 3.07Å; Y465-Y467 PolarHBondContact O-N 3.44Å
466	N	29.1	Very low	29.3	Very low	129 Å²	129	139.4 Å²	139.4	69%	0.69	77%	0.769	S	S	*	*			trans	-64.3	118	175.4	-73.7	-10.3	0	0	0	110.3	N464 T468	N464-N466 PolarHBondContact O-N 2.94Å; N466-T468 PolarHBondContact O-N 3.36Å
467	Y	26.5	Very low	29.4	Very low	233 Å²	233	137.3 Å²	137.3	91%	0.914	77%	0.766	S	S	*	*			trans	-75.3	88.6	167.8	-83.2	-92.4	0	0	0	110.2	Y465	Y465-Y467 PolarHBondContact O-N 3.44Å
468	T	30.3	Very low	29.6	Very low	128 Å²	128	133.4 Å²	133.4	79%	0.785	76%	0.758	S	S	*	*			trans	-82.5	114.7	166.3	47.4	0	0	0	0	110.1	N466	N466-T468 PolarHBondContact O-N 3.36Å
469	T	27.8	Very low	29.8	Very low	143 Å²	143	134 Å²	134	88%	0.877	76%	0.761	S	S	*	*			trans	-68.6	126.8	175.8	49.1	0	0	0	0	111.7
470	G	30.3	Very low	30	Very low	71 Å²	71	133.3 Å²	133.3	73%	0.732	76%	0.759	S	S	*	*			trans	-151.6	131.8	171.7	0	0	0	0	0	110.4
471	N	30.1	Very low	30.2	Very low	178 Å²	178	127.7 Å²	127.7	95%	0.952	75%	0.75	S	S	*	*			trans	-86.2	136.7	-175.3	-62.7	-35.2	0	0	0	111.1
472	G	31.2	Very low	30.3	Very low	76 Å²	76	129.2 Å²	129.2	78%	0.784	75%	0.751	S	S	*	*			trans	-177.7	115.5	175	0	0	0	0	0	113
473	V	29.4	Very low	30.8	Very low	138 Å²	138	129.2 Å²	129.2	84%	0.836	76%	0.756	S	S	*	*			trans	-137.1	148.2	175.9	165.4	0	0	0	0	105.1
474	P	35.2	Very low	30.7	Very low	104 Å²	104	128.9 Å²	128.9	68%	0.675	76%	0.757	S	S	*	*			cis	-108.3	-148.3	10.6	30.5	-8.6	0	0	0	111.2
475	E	32	Very low	30.9	Very low	159 Å²	159	131.4 Å²	131.4	74%	0.743	76%	0.763	S	S	*	*			cis	-160.6	-172.7	11.5	-160.3	35.6	-76.8	0	0	111.9
476	S	32.2	Very low	31	Very low	95 Å²	95	129.2 Å²	129.2	66%	0.664	76%	0.764	S	S	*	*			trans	-133.1	158.6	168.6	-59.8	0	0	0	0	110.4
477	P	34.3	Very low	31.1	Very low	115 Å²	115	127.9 Å²	127.9	75%	0.747	76%	0.764	S	S	*	*				-157.8	159.8	86.8	43.7	-24.4	0	0	0	118.4
478	S	28.9	Very low	31.3	Very low	92 Å²	92	124.1 Å²	124.1	64%	0.643	76%	0.76	S	S	*	*			trans	40.1	119.7	139.9	65.1	0	0	0	0	122.1
479	I	35	Very low	31.7	Very low	160 Å²	160	122.8 Å²	122.8	82%	0.821	75%	0.754	S	S	*	*				80.2	142.4	75.7	-79.2	163.2	0	0	0	113.6
480	P	33.6	Very low	32	Very low	104 Å²	104	121.2 Å²	121.2	68%	0.675	75%	0.749	S	S	*	*			cis	-144.9	-177.4	-17.4	40.4	-19.7	0	0	0	117.3
481	S	30	Very low	32.3	Very low	88 Å²	88	125.7 Å²	125.7	62%	0.615	75%	0.754	S	S	*	*			trans	46.9	157.4	139.2	74.4	0	0	0	0	125.7
482	D	31.4	Very low	32.6	Very low	149 Å²	149	122.7 Å²	122.7	80%	0.797	74%	0.744	S	S	*	*			trans	73.5	142	157.7	-53.3	-47.2	0	0	0	118.1
483	S	34.3	Very low	32.4	Very low	115 Å²	115	128.1 Å²	128.1	80%	0.804	74%	0.742	S	S	*	*			cis	-148.7	-158.5	-4	55.5	0	0	0	0	111.7
484	C	29.4	Very low	32.8	Very low	100 Å²	100	129.1 Å²	129.1	68%	0.676	74%	0.743	S	S	*	*			trans	-107.2	175.8	-158.5	-64.3	0	0	0	0	116.3
485	F	30.1	Very low	32.6	Very low	183 Å²	183	130.4 Å²	130.4	80%	0.803	74%	0.74	S	S	*	*			trans	96	107.8	154.1	-56.6	-66.2	0	0	0	121.9
486	L	29.1	Very low	32.9	Very low	153 Å²	153	134.8 Å²	134.8	80%	0.801	75%	0.75	S	S	*	*				60.4	137.9	121.4	-68.7	171.6	0	0	0	124
487	S	31.3	Very low	33	Very low	101 Å²	101	136.3 Å²	136.3	71%	0.706	76%	0.76	S	S	*	*			trans	96.6	102.6	143.3	-61.4	0	0	0	0	122
488	N	31.7	Very low	33	Very low	154 Å²	154	134.8 Å²	134.8	82%	0.824	77%	0.766	S	S	*	*				55.3	166.2	124.2	-77.4	-1.5	0	0	0	122.5
489	P	38.7	Very low	33.3	Very low	100 Å²	100	134.3 Å²	134.3	65%	0.649	78%	0.775	S	S	*	*			cis	-138.7	166.3	-46.2	40.6	-24.5	0	0	0	115
490	S	34.7	Very low	33.7	Very low	111 Å²	111	134.5 Å²	134.5	78%	0.776	78%	0.778	S	S	*	*			trans	24.4	123.9	150.7	61.5	0	0	0	0	123
491	I	36.1	Very low	33.8	Very low	165 Å²	165	134.5 Å²	134.5	85%	0.846	78%	0.778	S	S	*	*			trans	-135	142.7	153.9	-63.3	-176.2	0	0	0	108.9
492	P	35.2	Very low	34	Very low	114 Å²	114	140 Å²	140	74%	0.74	79%	0.79	S	S	*	*			trans	-103.9	155.6	-164.4	39.1	-36	0	0	0	117.4
493	Y	28.2	Very low	34.3	Very low	191 Å²	191	141.3 Å²	141.3	75%	0.749	79%	0.792	S	S	*	*			trans	36.5	131.2	137.5	-156.6	-112.5	0	0	0	121.5	Q495	Y493-Q495 HydrophobicContact CD1-CG 4.31Å; Y493-Q495 HydrophobicContact CE1-CG 3.43Å; Y493-Q495 VanDerWaalsContact CE1-CG 3.43Å
494	N	37.4	Very low	34.2	Very low	159 Å²	159	141.4 Å²	141.4	85%	0.85	79%	0.792	S	S	*	*			trans	-146.3	140.2	160.9	-147.2	-22.1	0	0	0	111.3
495	Q	32	Very low	34.7	Very low	130 Å²	130	143.1 Å²	143.1	61%	0.607	79%	0.793	S	S	*	*			trans	-98.1	142.5	-174.8	-68.2	175.4	-17.6	0	0	112.2	Y493	Y493-Q495 HydrophobicContact CD1-CG 4.31Å; Y493-Q495 HydrophobicContact CE1-CG 3.43Å; Y493-Q495 VanDerWaalsContact CE1-CG 3.43Å
496	R	37.7	Very low	35.1	Very low	252 Å²	252	143.4 Å²	143.4	95%	0.951	80%	0.795	S	S	*	*			trans	-144.1	148.5	142.7	-71.3	-158.3	172.7	-169.9	-3.3	110.5
497	S	33.4	Very low	35.5	Very low	126 Å²	126	142 Å²	142	88%	0.881	79%	0.792	S	S	*	*			trans	-110.8	156.9	-167.4	-48.7	0	0	0	0	112.9
498	G	34	Very low	35.7	Very low	84 Å²	84	146.3 Å²	146.3	87%	0.866	80%	0.798	S	S	*	*			trans	133.5	134.1	160.7	0	0	0	0	0	115
499	G	36.4	Very low	35.9	Very low	81 Å²	81	146.3 Å²	146.3	84%	0.835	80%	0.798	S	S	*	*			trans	127.6	118.2	172.4	0	0	0	0	0	114.1
500	D	42.7	Very low	35.7	Very low	165 Å²	165	153.3 Å²	153.3	88%	0.882	81%	0.811	S	S	*	*			trans	-70.1	158.9	-171.1	-90.4	-73.6	0	0	0	116.6
501	P	36.4	Very low	35.8	Very low	103 Å²	103	158.6 Å²	158.6	67%	0.669	81%	0.814	S	S	*	*			trans	-92.4	133.9	-176.1	35.2	-32.8	0	0	0	113.8
502	K	34.3	Very low	36	Very low	203 Å²	203	152.5 Å²	152.5	88%	0.883	79%	0.792	S	S	*	*			trans	174.7	95.1	141.3	-96.2	151.5	-172.4	170.9	0	112.4
503	Q	36.6	Very low	36.9	Very low	177 Å²	177	151.2 Å²	151.2	83%	0.827	79%	0.786	S	S	*	*			trans	-167.9	97.1	145.9	-112.3	163	77.5	0	0	111	I505	Q503-I505 VanDerWaalsContact C-N 3.28Å; Q503-I505 PolarHBondContact O-N 2.85Å
504	S	33.3	Very low	38.2	Very low	117 Å²	117	145.8 Å²	145.8	82%	0.818	77%	0.77	S	S	*	*			trans	-81.5	69.8	179.1	45.7	0	0	0	0	111.8	K506	S504-K506 PolarHBondContact O-N 2.98Å
505	I	39.6	Very low	39.3	Very low	136 Å²	136	142.6 Å²	142.6	70%	0.697	75%	0.753	S	S	*	*			trans	-60.4	104.8	166.5	-61.3	178.5	0	0	0	107.4	Q503 V507	Q503-I505 VanDerWaalsContact C-N 3.28Å; Q503-I505 PolarHBondContact O-N 2.85Å; I505-V507 VanDerWaalsContact C-N 3.27Å; I505-V507 PolarHBondContact O-N 3.07Å
506	K	37.8	Very low	41.2	Very low	190 Å²	190	143.2 Å²	143.2	83%	0.826	76%	0.756	S	S	*	*			trans	-69.1	84.5	177.9	-75.4	-174.9	177	178.2	0	110.1	S504 K508	S504-K506 PolarHBondContact O-N 2.98Å; K506-K508 PolarHBondContact O-N 2.93Å
507	V	37.2	Very low	43.3	Very low	122 Å²	122	134 Å²	134	74%	0.739	72%	0.721	S	S	*	*			trans	-54.4	110.9	164.5	178.9	0	0	0	0	107.3	I505 N509	I505-V507 VanDerWaalsContact C-N 3.27Å; I505-V507 PolarHBondContact O-N 3.07Å; V507-N509 PolarHBondContact O-N 2.91Å
508	K	37.3	Very low	45.9	Very low	193 Å²	193	132.4 Å²	132.4	84%	0.839	70%	0.7	S	S	*	*			trans	-63.8	110.3	175	-76.1	-178.5	175.8	177.9	0	107.9	K506 R510	K506-K508 PolarHBondContact O-N 2.93Å; K508-R510 PolarHBondContact O-N 3.28Å
509	N	34.7	Very low	48.6	Very low	153 Å²	153	129 Å²	129	82%	0.818	66%	0.661	S	S	*	*			trans	-50.7	116.5	167.7	-90.5	-10.4	0	0	0	108.6	V507 R511	V507-N509 PolarHBondContact O-N 2.91Å; N509-R511 PolarHBondContact O-N 3.36Å
510	R	34.7	Very low	51.1	Low	248 Å²	248	128.8 Å²	128.8	94%	0.936	64%	0.641	S	S	*	*			trans	-65	105.5	166.6	-70.3	-177.8	175.7	-175	-1.3	106	K508	K508-R510 PolarHBondContact O-N 3.28Å
511	R	37.3	Very low	53.1	Low	221 Å²	221	122 Å²	122	83%	0.834	61%	0.61	S	S	*	*			trans	-51.2	144.4	172.1	-68.2	-177.1	-179.8	174.8	-2.1	108.9	N509 S513	N509-R511 PolarHBondContact O-N 3.36Å; R511-S513 PolarHBondContact O-N 2.94Å
512	G	39.7	Very low	55.6	Low	37 Å²	37	125.3 Å²	125.3	38%	0.381	62%	0.617	S	S	.	*			trans	-60.8	138.6	178.2	0	0	0	0	0	108.6	N514 D515	G512-N514 PolarHBondContact O-N 3.27Å; G512-D515 PolarHBondContact N-OD2 3.41Å; G512-D515 VanDerWaalsContact N-OD2 3.09Å; G512-D515 PolarHBondContact O-N 2.96Å; G512-D515 VanDerWaalsContact O-N 3.16Å
513	S	55.4	Low	58.2	Low	88 Å²	88	120.6 Å²	120.6	62%	0.615	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-2.4	-178.4	62	0	0	0	0	113.3	R511 R573	R511-S513 PolarHBondContact O-N 2.94Å; S513-R573 PolarHBondContact O-NH1 3.05Å; S513-R573 PolarHBondContact O-NH2 3.37Å
514	N	54.5	Low	60.8	Low	77 Å²	77	113.2 Å²	113.2	41%	0.412	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.6	-38.8	173.7	-66.6	-32.5	0	0	0	112.1	G512 E516 W517	G512-N514 PolarHBondContact O-N 3.27Å; N514-E516 PolarHBondContact O-N 2.89Å; N514-W517 PolarHBondContact O-N 3.41Å
515	D	61.4	Low	63.7	Low	92 Å²	92	112.3 Å²	112.3	49%	0.492	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.7	-16.8	-173.6	-35.4	-9.3	0	0	0	113.4	G512	G512-D515 PolarHBondContact N-OD2 3.41Å; G512-D515 VanDerWaalsContact N-OD2 3.09Å; G512-D515 PolarHBondContact O-N 2.96Å; G512-D515 VanDerWaalsContact O-N 3.16Å
516	E	71.7	Confident	66.3	Low	143 Å²	143	110.4 Å²	110.4	67%	0.668	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-19.6	-177.5	179.1	-169.9	-123.9	0	0	113.8	N514 R573	N514-E516 PolarHBondContact O-N 2.89Å; E516-R573 IonicContact OE2-NH2 2.85Å; E516-R573 PolarHBondContact OE2-NH2 3.1Å; E516-R573 VanDerWaalsContact OE2-NH2 3.13Å
517	W	81.5	Confident	68.9	Low	57 Å²	57	103 Å²	103	22%	0.216	52%	0.517	C	S	.	.	S	Bend	trans	-125	11	-175.5	-62	70.8	0	0	0	113	N514 R573 F583 G585 C586	N514-W517 PolarHBondContact O-N 3.41Å; W517-R573 HydrophobicContact CB-CG 4.45Å; W517-R573 HydrophobicContact CD2-CG 4.08Å; W517-R573 HydrophobicContact CE3-CG 4.42Å; W517-R573 HydrophobicContact CG-CG 4.07Å; W517-R573 VanDerWaalsContact CG-NE 3.28Å; W517-R573 VanDerWaalsContact NE1-NH2 3.19Å; W517-F583 HydrophobicContact CB-CE1 4.5Å; W517-F583 HydrophobicContact CE3-CD1 4.2Å; W517-F583 AromaticContact CE3-CE1 3.92Å; W517-F583 HydrophobicContact CE3-CE1 3.92Å; W517-G585 WeakPolarHBondContact O-CA 3.47Å; W517-C586 PolarHBondContact O-N 3.19Å
518	E	87.9	Confident	71.6	Confident	94 Å²	94	100 Å²	100	44%	0.439	50%	0.501	S	S	.	.	B	Isolated β-bridge	trans	-87.4	107.1	173.2	-168.8	168.4	152.9	0	0	108.7	C586 S588	E518-C586 CarbonylContact C-O 3.31Å; E518-C586 WeakPolarHBondContact CA-O 3.43Å; E518-S588 VanDerWaalsContact OE1-CB 3.23Å; E518-S588 WeakPolarHBondContact OE1-CB 3.16Å; E518-S588 PolarHBondContact OE1-OG 3.29Å
519	I	89.8	Confident	74.2	Confident	12 Å²	12	96 Å²	96	6%	0.062	48%	0.481	C	S	.	.			trans	-84.2	132.6	179.9	-58	166.5	0	0	0	108.3	G521 E523 I524 W543 C586 I595	I519-G521 PolarHBondContact O-N 2.92Å; I519-E523 HydrophobicContact CG2-CB 4.34Å; I519-I524 HydrophobicContact CB-CD1 4.18Å; I519-I524 HydrophobicContact CG2-CD1 3.64Å; I519-I524 HydrophobicContact CG2-CG1 3.8Å; I519-W543 HydrophobicContact CD1-CD2 4Å; I519-W543 HydrophobicContact CD1-CE3 4.08Å; I519-W543 HydrophobicContact CD1-CH2 3.79Å; I519-W543 HydrophobicContact CD1-CZ2 3.71Å; I519-W543 HydrophobicContact CD1-CZ3 3.98Å; I519-W543 HydrophobicContact CG1-CH2 4.18Å; I519-W543 HydrophobicContact CG1-CZ2 3.77Å; I519-W543 HydrophobicContact CG2-CD2 4.49Å; I519-W543 HydrophobicContact CG2-CZ2 4.17Å; I519-C586 PolarHBondContact N-O 3.45Å; I519-I595 HydrophobicContact CD1-CB 4.16Å; I519-I595 HydrophobicContact CD1-CG1 3.95Å; I519-I595 HydrophobicContact CD1-CG2 4.45Å
520	N	88.8	Confident	76.8	Confident	76 Å²	76	93.2 Å²	93.2	41%	0.406	47%	0.465	S	S	.	.			trans	-65	123.2	171.8	177.2	5.5	0	0	0	109.1	Q522 E523	N520-Q522 PolarHBondContact ND2-OE1 2.66Å; N520-Q522 VanDerWaalsContact ND2-OE1 3.11Å; N520-Q522 PolarHBondContact O-N 3.4Å; N520-Q522 PolarHBondContact OD1-N 3.38Å; N520-Q522 VanDerWaalsContact OD1-N 3.15Å; N520-E523 HydrophobicContact CB-CG 4.14Å; N520-E523 WeakPolarHBondContact O-CB 3.29Å; N520-E523 PolarHBondContact O-N 2.9Å
521	G	85.7	Confident	78.9	Confident	23 Å²	23	82.8 Å²	82.8	24%	0.237	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-57	-18.7	-179.6	0	0	0	0	0	114.6	I519 E523	I519-G521 PolarHBondContact O-N 2.92Å; G521-E523 VanDerWaalsContact C-N 3.32Å
522	Q	87.7	Confident	80.7	Confident	173 Å²	173	75.5 Å²	75.5	81%	0.808	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-72.8	-18	173.7	-62.4	175.3	-35.5	0	0	114.2	N520 I524	N520-Q522 PolarHBondContact ND2-OE1 2.66Å; N520-Q522 VanDerWaalsContact ND2-OE1 3.11Å; N520-Q522 PolarHBondContact O-N 3.4Å; N520-Q522 PolarHBondContact OD1-N 3.38Å; N520-Q522 VanDerWaalsContact OD1-N 3.15Å; Q522-I524 VanDerWaalsContact C-N 3.35Å
523	E	90.2	Very high	81.9	Confident	103 Å²	103	75.8 Å²	75.8	48%	0.481	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-83	-13.7	178.7	-63.7	171.3	-159	0	0	113	I519 N520 G521 W543	I519-E523 HydrophobicContact CG2-CB 4.34Å; N520-E523 HydrophobicContact CB-CG 4.14Å; N520-E523 WeakPolarHBondContact O-CB 3.29Å; N520-E523 PolarHBondContact O-N 2.9Å; G521-E523 VanDerWaalsContact C-N 3.32Å; E523-W543 PolarHBondContact OE2-NE1 3.42Å
524	I	91.7	Very high	82	Confident	23 Å²	23	76.1 Å²	76.1	12%	0.118	42%	0.422	C	S	.	.			trans	-107.8	117.3	-169.7	-56.5	166.8	0	0	0	109.5	I519 Q522 K526 W543 I549 V587 I595	I519-I524 HydrophobicContact CB-CD1 4.18Å; I519-I524 HydrophobicContact CG2-CD1 3.64Å; I519-I524 HydrophobicContact CG2-CG1 3.8Å; Q522-I524 VanDerWaalsContact C-N 3.35Å; I524-K526 PolarHBondContact O-N 2.96Å; I524-W543 HydrophobicContact CG1-CB 4.06Å; I524-W543 HydrophobicContact CG1-CG 4.01Å; I524-I549 HydrophobicContact CG2-CD1 3.46Å; I524-I549 VanDerWaalsContact CG2-CD1 3.46Å; I524-I549 HydrophobicContact CG2-CG1 4.1Å; I524-V587 HydrophobicContact CD1-CG2 3.26Å; I524-I595 HydrophobicContact CD1-CD1 3.85Å; I524-I595 HydrophobicContact CD1-CG1 4.03Å
525	T	94	Very high	82.4	Confident	97 Å²	97	73.8 Å²	73.8	60%	0.595	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	114.8	170.4	-54.5	0	0	0	0	109.5	G541 Y542	T525-G541 CarbonylContact O-C 3.59Å; T525-G541 WeakPolarHBondContact O-CA 3.41Å; T525-Y542 PolarHBondContact N-O 3.19Å; T525-Y542 PolarHBondContact O-N 2.91Å
526	K	92.9	Very high	83	Confident	96 Å²	96	69.5 Å²	69.5	42%	0.417	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	130.1	174	-174.3	177.7	-178.4	173.7	0	110.5	I524 F539 I549 E551	I524-K526 PolarHBondContact O-N 2.96Å; K526-F539 HydrophobicContact CD-CD1 4.44Å; K526-F539 HydrophobicContact CD-CG 4.46Å; K526-F539 VanDerWaalsContact CE-CE2 3.49Å; K526-F539 VanDerWaalsContact CE-CG 3.47Å; K526-F539 HydrophobicContact CG-CB 4.26Å; K526-F539 HydrophobicContact CG-CD1 4.32Å; K526-F539 HydrophobicContact CG-CG 4.24Å; K526-I549 HydrophobicContact CB-CD1 4.15Å; K526-I549 HydrophobicContact CG-CD1 4.28Å; K526-E551 VanDerWaalsContact CE-OE1 3.27Å; K526-E551 WeakPolarHBondContact CE-OE1 3.42Å; K526-E551 IonicContact NZ-OE1 2.7Å; K526-E551 PolarHBondContact NZ-OE1 3.42Å; K526-E551 IonicContact NZ-OE2 3.24Å; K526-E551 PolarHBondContact NZ-OE2 3.26Å
527	G	93.1	Very high	83.6	Confident	34 Å²	34	63.8 Å²	63.8	35%	0.351	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	-149.9	177.2	0	0	0	0	0	112.4	K540	G527-K540 CarbonylContact C-O 3.48Å; G527-K540 VanDerWaalsContact C-O 3.31Å; G527-K540 WeakPolarHBondContact CA-O 3.2Å; G527-K540 PolarHBondContact N-O 3.33Å
528	P	93.2	Very high	84	Confident	60 Å²	60	63 Å²	63	39%	0.39	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	145.4	-171.4	26.7	-34.8	0	0	0	113	I530 F539 K540	P528-I530 HydrophobicContact CG-CD1 4.48Å; P528-F539 CarbonylContact O-C 3.59Å; P528-F539 VanDerWaalsContact O-CA 3.28Å; P528-F539 WeakPolarHBondContact O-CA 3.42Å; P528-K540 HydrophobicContact CG-CB 4.33Å; P528-K540 PolarHBondContact O-N 3.15Å
529	R	92.6	Very high	84.3	Confident	110 Å²	110	59.7 Å²	59.7	42%	0.415	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	134.2	166.8	179.8	172.2	168.4	-120.2	1	108.9	E81 S532 T537 F539	E81-R529 IonicContact OE1-CZ 3.99Å; E81-R529 IonicContact OE1-NH1 3.84Å; E81-R529 PolarHBondContact OE1-NH1 2.99Å; E81-R529 IonicContact OE2-NH1 3.91Å; E81-R529 PolarHBondContact OE2-NH1 2.96Å; R529-S532 PolarHBondContact NH2-OG 3.12Å; R529-T537 HydrophobicContact CG-CG2 3.81Å; R529-F539 HydrophobicContact CB-CD1 3.83Å; R529-F539 HydrophobicContact CB-CE1 3.76Å; R529-F539 HydrophobicContact CG-CE1 4.24Å
530	I	88.2	Confident	84.5	Confident	94 Å²	94	61.2 Å²	61.2	48%	0.482	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-26.3	-178.9	-55.5	-59.7	0	0	0	110.9	P528 V538 K540 W598	P528-I530 HydrophobicContact CG-CD1 4.48Å; I530-V538 HydrophobicContact CB-CG1 4.44Å; I530-V538 PolarHBondContact N-O 2.89Å; I530-K540 HydrophobicContact CD1-CB 4.05Å; I530-K540 HydrophobicContact CG1-CB 4.13Å; I530-W598 HydrophobicContact CD1-CH2 3.86Å; I530-W598 HydrophobicContact CD1-CZ3 4.39Å; I530-W598 HydrophobicContact CG1-CH2 3.85Å; I530-W598 HydrophobicContact CG1-CZ3 3.96Å; I530-W598 HydrophobicContact CG2-CH2 4.29Å
531	G	79.5	Confident	84.8	Confident	29 Å²	29	57.9 Å²	57.9	30%	0.299	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	168.4	167.6	172.4	0	0	0	0	0	111.9	V538	G531-V538 PolarHBondContact N-O 3.27Å; G531-V538 PolarHBondContact O-N 3.5Å
532	S	75.1	Confident	85.3	Confident	67 Å²	67	63.3 Å²	63.3	47%	0.469	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	122.7	174.7	45.9	0	0	0	0	110.4	R529	R529-S532 PolarHBondContact NH2-OG 3.12Å
533	G	65	Low	85.6	Confident	43 Å²	43	57.4 Å²	57.4	44%	0.443	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	175.8	170.2	0	0	0	0	0	111.4	F535 G536 N553	G533-F535 PolarHBondContact O-N 3.01Å; G533-G536 PolarHBondContact N-O 3.44Å; G533-G536 PolarHBondContact O-N 2.97Å; G533-N553 PolarHBondContact O-ND2 3.1Å; G533-N553 VanDerWaalsContact O-ND2 3.11Å
534	S	56.8	Low	85.7	Confident	96 Å²	96	60.3 Å²	60.3	67%	0.671	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-6.6	-178.1	28.9	0	0	0	0	115.6
535	F	63.2	Low	85.8	Confident	28 Å²	28	60.3 Å²	60.3	12%	0.123	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-15	-178.9	-48.8	-61.9	0	0	0	113.5	G533 L552 N553 K667 W670	G533-F535 PolarHBondContact O-N 3.01Å; F535-L552 WeakPolarHBondContact O-CA 3.22Å; F535-N553 PolarHBondContact O-N 3.32Å; F535-N553 VanDerWaalsContact O-N 3.14Å; F535-K667 HydrophobicContact CD1-CB 4.46Å; F535-K667 HydrophobicContact CD1-CG 3.92Å; F535-K667 HydrophobicContact CD2-CD 4.34Å; F535-K667 HydrophobicContact CD2-CG 4.16Å; F535-K667 HydrophobicContact CE1-CB 3.75Å; F535-K667 HydrophobicContact CE1-CD 4.07Å; F535-K667 HydrophobicContact CE1-CG 3.44Å; F535-K667 VanDerWaalsContact CE1-CG 3.44Å; F535-K667 HydrophobicContact CE2-CD 3.53Å; F535-K667 HydrophobicContact CE2-CG 3.69Å; F535-K667 HydrophobicContact CG-CG 4.3Å; F535-K667 HydrophobicContact CZ-CB 3.91Å; F535-K667 HydrophobicContact CZ-CD 3.4Å; F535-K667 HydrophobicContact CZ-CG 3.32Å; F535-W670 HydrophobicContact CB-CZ3 3.94Å; F535-W670 HydrophobicContact CD1-CE3 4.15Å; F535-W670 HydrophobicContact CD1-CZ3 4.22Å
536	G	74.9	Confident	85.9	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.01	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.3	161.9	-170.8	0	0	0	0	0	113.8	G533 E551 N553	G533-G536 PolarHBondContact N-O 3.44Å; G533-G536 PolarHBondContact O-N 2.97Å; G536-E551 CarbonylContact C-O 3.59Å; G536-E551 VanDerWaalsContact C-O 3.32Å; G536-E551 WeakPolarHBondContact CA-O 3.37Å; G536-N553 VanDerWaalsContact CA-OD1 3.24Å; G536-N553 WeakPolarHBondContact CA-OD1 3.37Å; G536-N553 PolarHBondContact N-ND2 2.86Å
537	T	84.7	Confident	86	Confident	24 Å²	24	54.8 Å²	54.8	15%	0.147	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.1	172.3	-57.4	0	0	0	0	109.8	R529 F539 E551 N553	R529-T537 HydrophobicContact CG-CG2 3.81Å; T537-F539 HydrophobicContact CG2-CD2 4.26Å; T537-F539 HydrophobicContact CG2-CE1 4.19Å; T537-F539 HydrophobicContact CG2-CE2 3.49Å; T537-F539 VanDerWaalsContact CG2-CE2 3.49Å; T537-F539 HydrophobicContact CG2-CZ 3.44Å; T537-F539 VanDerWaalsContact CG2-CZ 3.44Å; T537-E551 PolarHBondContact N-O 3.01Å; T537-E551 PolarHBondContact O-N 3.25Å; T537-N553 PolarHBondContact N-OD1 3.19Å; T537-N553 PolarHBondContact OG1-OD1 3.49Å
538	V	89	Confident	86	Confident	39 Å²	39	53.8 Å²	53.8	24%	0.236	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	130.4	-179.5	-177.7	0	0	0	0	109.5	I530 G531 A548 I549 K550	I530-V538 HydrophobicContact CB-CG1 4.44Å; I530-V538 PolarHBondContact N-O 2.89Å; G531-V538 PolarHBondContact N-O 3.27Å; G531-V538 PolarHBondContact O-N 3.5Å; V538-A548 HydrophobicContact CG1-CB 4.49Å; V538-I549 CarbonylContact C-O 3.56Å; V538-I549 VanDerWaalsContact CA-O 3.32Å; V538-I549 WeakPolarHBondContact CA-O 3.44Å; V538-K550 HydrophobicContact CG2-CB 4.29Å; V538-K550 HydrophobicContact CG2-CD 4.36Å; V538-K550 HydrophobicContact CG2-CG 3.96Å
539	F	93.4	Very high	86	Confident	26 Å²	26	51.2 Å²	51.2	11%	0.114	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	146	174.8	-55	-98.4	0	0	0	109.5	K526 P528 R529 T537 I549 E551	K526-F539 HydrophobicContact CD-CD1 4.44Å; K526-F539 HydrophobicContact CD-CG 4.46Å; K526-F539 VanDerWaalsContact CE-CE2 3.49Å; K526-F539 VanDerWaalsContact CE-CG 3.47Å; K526-F539 HydrophobicContact CG-CB 4.26Å; K526-F539 HydrophobicContact CG-CD1 4.32Å; K526-F539 HydrophobicContact CG-CG 4.24Å; P528-F539 CarbonylContact O-C 3.59Å; P528-F539 VanDerWaalsContact O-CA 3.28Å; P528-F539 WeakPolarHBondContact O-CA 3.42Å; R529-F539 HydrophobicContact CB-CD1 3.83Å; R529-F539 HydrophobicContact CB-CE1 3.76Å; R529-F539 HydrophobicContact CG-CE1 4.24Å; T537-F539 HydrophobicContact CG2-CD2 4.26Å; T537-F539 HydrophobicContact CG2-CE1 4.19Å; T537-F539 HydrophobicContact CG2-CE2 3.49Å; T537-F539 VanDerWaalsContact CG2-CE2 3.49Å; T537-F539 HydrophobicContact CG2-CZ 3.44Å; T537-F539 VanDerWaalsContact CG2-CZ 3.44Å; F539-I549 HydrophobicContact CB-CB 4.41Å; F539-I549 PolarHBondContact N-O 2.97Å; F539-I549 PolarHBondContact O-N 2.95Å; F539-E551 HydrophobicContact CD2-CG 4.24Å; F539-E551 HydrophobicContact CE2-CB 4.31Å; F539-E551 HydrophobicContact CE2-CG 4.08Å; F539-E551 WeakPolarHBondContact CE2-OE2 3.36Å
540	K	94.6	Very high	85.8	Confident	44 Å²	44	46.9 Å²	46.9	19%	0.191	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	136.5	161	-171.6	165.6	-168.5	163.9	0	107	G527 P528 I530 N546 W598 E600	G527-K540 CarbonylContact C-O 3.48Å; G527-K540 VanDerWaalsContact C-O 3.31Å; G527-K540 WeakPolarHBondContact CA-O 3.2Å; G527-K540 PolarHBondContact N-O 3.33Å; P528-K540 HydrophobicContact CG-CB 4.33Å; P528-K540 PolarHBondContact O-N 3.15Å; I530-K540 HydrophobicContact CD1-CB 4.05Å; I530-K540 HydrophobicContact CG1-CB 4.13Å; K540-N546 WeakPolarHBondContact CE-ND2 3.46Å; K540-N546 PolarHBondContact NZ-ND2 2.87Å; K540-W598 HydrophobicContact CB-CE3 3.97Å; K540-W598 HydrophobicContact CB-CH2 3.94Å; K540-W598 HydrophobicContact CB-CZ3 3.56Å; K540-W598 HydrophobicContact CD-CD2 3.87Å; K540-W598 HydrophobicContact CD-CE3 4.02Å; K540-W598 HydrophobicContact CD-CH2 3.91Å; K540-W598 HydrophobicContact CD-CZ2 3.73Å; K540-W598 HydrophobicContact CD-CZ3 4.04Å; K540-W598 HydrophobicContact CG-CD2 3.98Å; K540-W598 HydrophobicContact CG-CE3 3.68Å; K540-W598 HydrophobicContact CG-CH2 4.12Å; K540-W598 HydrophobicContact CG-CZ2 4.38Å; K540-W598 HydrophobicContact CG-CZ3 3.76Å; K540-E600 IonicContact NZ-OE1 2.82Å; K540-E600 PolarHBondContact NZ-OE1 2.86Å; K540-E600 IonicContact NZ-OE2 3.29Å; K540-E600 PolarHBondContact NZ-OE2 3.42Å
541	G	95.2	Very high	85.8	Confident	6 Å²	6	44.3 Å²	44.3	6%	0.062	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	-179.6	179.1	0	0	0	0	0	112.2	T525 V547	T525-G541 CarbonylContact O-C 3.59Å; T525-G541 WeakPolarHBondContact O-CA 3.41Å; G541-V547 PolarHBondContact N-O 2.79Å; G541-V547 PolarHBondContact O-N 3.44Å
542	Y	96.1	Very high	85.8	Confident	136 Å²	136	43.7 Å²	43.7	53%	0.533	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	120.5	177	-169	-92.4	0	0	0	111.2	T525 G545	T525-Y542 PolarHBondContact N-O 3.19Å; T525-Y542 PolarHBondContact O-N 2.91Å; Y542-G545 VanDerWaalsContact CA-O 3.31Å; Y542-G545 WeakPolarHBondContact CA-O 3.48Å; Y542-G545 WeakPolarHBondContact CD2-O 3.46Å
543	W	94	Very high	85.6	Confident	49 Å²	49	44.8 Å²	44.8	19%	0.186	24%	0.243	C	C	.	.	S	Bend	trans	-152.4	107.7	170.3	-179.7	79.9	0	0	0	107.7	I519 E523 I524 G545 V547 M584	I519-W543 HydrophobicContact CD1-CD2 4Å; I519-W543 HydrophobicContact CD1-CE3 4.08Å; I519-W543 HydrophobicContact CD1-CH2 3.79Å; I519-W543 HydrophobicContact CD1-CZ2 3.71Å; I519-W543 HydrophobicContact CD1-CZ3 3.98Å; I519-W543 HydrophobicContact CG1-CH2 4.18Å; I519-W543 HydrophobicContact CG1-CZ2 3.77Å; I519-W543 HydrophobicContact CG2-CD2 4.49Å; I519-W543 HydrophobicContact CG2-CZ2 4.17Å; E523-W543 PolarHBondContact OE2-NE1 3.42Å; I524-W543 HydrophobicContact CG1-CB 4.06Å; I524-W543 HydrophobicContact CG1-CG 4.01Å; W543-G545 PolarHBondContact N-O 2.92Å; W543-G545 PolarHBondContact O-N 3.37Å; W543-V547 HydrophobicContact CB-CG1 4.2Å; W543-V547 HydrophobicContact CB-CG2 4.25Å; W543-V547 WeakPolarHBondContact O-CG1 3.46Å; W543-M584 HydrophobicContact CZ3-CB 4.09Å
544	H	92.6	Very high	85.8	Confident	164 Å²	164	44.3 Å²	44.3	76%	0.759	23%	0.231	S	C	*	.	S	Bend	trans	51.3	19.9	-168.7	-59.5	-59.1	0	0	0	115.7
545	G	93.7	Very high	86.3	Confident	24 Å²	24	46.3 Å²	46.3	25%	0.247	24%	0.239	C	C	.	.	S	Bend	trans	144.4	-177.3	-173.5	0	0	0	0	0	111.2	Y542 W543 V547	Y542-G545 VanDerWaalsContact CA-O 3.31Å; Y542-G545 WeakPolarHBondContact CA-O 3.48Å; Y542-G545 WeakPolarHBondContact CD2-O 3.46Å; W543-G545 PolarHBondContact N-O 2.92Å; W543-G545 PolarHBondContact O-N 3.37Å; G545-V547 PolarHBondContact O-N 3.42Å
546	N	95.5	Very high	86.7	Confident	76 Å²	76	51.8 Å²	51.8	41%	0.406	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	125.3	173.9	-73.1	-11.5	0	0	0	110.3	K540 W598 E600	K540-N546 WeakPolarHBondContact CE-ND2 3.46Å; K540-N546 PolarHBondContact NZ-ND2 2.87Å; N546-W598 HydrophobicContact CB-CB 3.7Å; N546-W598 HydrophobicContact CB-CG 4.01Å; N546-W598 VanDerWaalsContact O-CB 3.24Å; N546-W598 WeakPolarHBondContact O-CB 3.41Å; N546-W598 PolarHBondContact O-N 2.99Å; N546-E600 PolarHBondContact ND2-OE1 3.2Å
547	V	95.6	Very high	86.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	158.5	177.1	-58.5	0	0	0	0	111.4	G541 W543 G545 I549 M584 I595 T596	G541-V547 PolarHBondContact N-O 2.79Å; G541-V547 PolarHBondContact O-N 3.44Å; W543-V547 HydrophobicContact CB-CG1 4.2Å; W543-V547 HydrophobicContact CB-CG2 4.25Å; W543-V547 WeakPolarHBondContact O-CG1 3.46Å; G545-V547 PolarHBondContact O-N 3.42Å; V547-I549 HydrophobicContact CG2-CG1 4.13Å; V547-M584 HydrophobicContact CB-SD 4.39Å; V547-M584 HydrophobicContact CG1-CE 4.44Å; V547-M584 HydrophobicContact CG1-SD 3.53Å; V547-M584 VanDerWaalsContact CG1-SD 3.53Å; V547-I595 HydrophobicContact CB-CG2 3.87Å; V547-I595 HydrophobicContact CG1-CG2 4.11Å; V547-I595 HydrophobicContact CG2-CG2 4.03Å; V547-T596 WeakPolarHBondContact CA-O 3.32Å
548	A	93.7	Very high	86.1	Confident	13 Å²	13	55.2 Å²	55.2	11%	0.107	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	123.7	164	0	0	0	0	0	109	V538 T596 W598	V538-A548 HydrophobicContact CG1-CB 4.49Å; A548-T596 PolarHBondContact N-O 3.24Å; A548-T596 PolarHBondContact O-N 3.49Å; A548-T596 VanDerWaalsContact O-N 3.09Å; A548-W598 HydrophobicContact CB-CE3 4.16Å
549	I	92.3	Very high	85.6	Confident	6 Å²	6	58.2 Å²	58.2	3%	0.031	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	112.5	176	-50.9	173.5	0	0	0	107.3	I524 K526 V538 F539 V547 E551 A593 I595	I524-I549 HydrophobicContact CG2-CD1 3.46Å; I524-I549 VanDerWaalsContact CG2-CD1 3.46Å; I524-I549 HydrophobicContact CG2-CG1 4.1Å; K526-I549 HydrophobicContact CB-CD1 4.15Å; K526-I549 HydrophobicContact CG-CD1 4.28Å; V538-I549 CarbonylContact C-O 3.56Å; V538-I549 VanDerWaalsContact CA-O 3.32Å; V538-I549 WeakPolarHBondContact CA-O 3.44Å; F539-I549 HydrophobicContact CB-CB 4.41Å; F539-I549 PolarHBondContact N-O 2.97Å; F539-I549 PolarHBondContact O-N 2.95Å; V547-I549 HydrophobicContact CG2-CG1 4.13Å; I549-E551 HydrophobicContact CG2-CG 3.97Å; I549-A593 HydrophobicContact CG2-CB 3.94Å; I549-I595 HydrophobicContact CB-CD1 4.2Å; I549-I595 HydrophobicContact CG1-CD1 4.05Å; I549-I595 HydrophobicContact CG2-CD1 3.85Å
550	K	88.5	Confident	84.5	Confident	20 Å²	20	63.6 Å²	63.6	9%	0.087	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	90.4	173.8	-170.4	175.2	-159.8	178.3	0	109.5	V538 A593 I594 D660	V538-K550 HydrophobicContact CG2-CB 4.29Å; V538-K550 HydrophobicContact CG2-CD 4.36Å; V538-K550 HydrophobicContact CG2-CG 3.96Å; K550-A593 CarbonylContact O-C 3.56Å; K550-A593 VanDerWaalsContact O-CA 3.25Å; K550-A593 WeakPolarHBondContact O-CA 3.45Å; K550-I594 HydrophobicContact CB-CB 4.42Å; K550-I594 PolarHBondContact N-O 3.48Å; K550-I594 PolarHBondContact O-N 3.43Å; K550-D660 IonicContact NZ-OD1 3.33Å; K550-D660 PolarHBondContact NZ-OD1 3.24Å; K550-D660 IonicContact NZ-OD2 3.71Å; K550-D660 PolarHBondContact NZ-OD2 2.77Å
551	E	88.5	Confident	83.2	Confident	39 Å²	39	62.9 Å²	62.9	18%	0.182	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	131.8	172.9	-62.4	-178	163.4	0	0	109	K526 G536 T537 F539 I549 A593	K526-E551 VanDerWaalsContact CE-OE1 3.27Å; K526-E551 WeakPolarHBondContact CE-OE1 3.42Å; K526-E551 IonicContact NZ-OE1 2.7Å; K526-E551 PolarHBondContact NZ-OE1 3.42Å; K526-E551 IonicContact NZ-OE2 3.24Å; K526-E551 PolarHBondContact NZ-OE2 3.26Å; G536-E551 CarbonylContact C-O 3.59Å; G536-E551 VanDerWaalsContact C-O 3.32Å; G536-E551 WeakPolarHBondContact CA-O 3.37Å; T537-E551 PolarHBondContact N-O 3.01Å; T537-E551 PolarHBondContact O-N 3.25Å; F539-E551 HydrophobicContact CD2-CG 4.24Å; F539-E551 HydrophobicContact CE2-CB 4.31Å; F539-E551 HydrophobicContact CE2-CG 4.08Å; F539-E551 WeakPolarHBondContact CE2-OE2 3.36Å; I549-E551 HydrophobicContact CG2-CG 3.97Å; E551-A593 HydrophobicContact CG-CB 4.1Å
552	L	79.5	Confident	82.2	Confident	17 Å²	17	65.3 Å²	65.3	9%	0.089	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	144.9	-179.8	-57.7	-178.3	0	0	0	110.9	F535 V554 F565 I592 W670	F535-L552 WeakPolarHBondContact O-CA 3.22Å; L552-V554 PolarHBondContact O-N 3.01Å; L552-F565 HydrophobicContact CD1-CD2 3.63Å; L552-F565 HydrophobicContact CD1-CE2 3.79Å; L552-F565 HydrophobicContact CD1-CG 4.49Å; L552-I592 HydrophobicContact CD1-CB 4.23Å; L552-I592 HydrophobicContact CD1-CG2 3.62Å; L552-I592 HydrophobicContact CG-CG2 4.24Å; L552-I592 PolarHBondContact N-O 2.88Å; L552-W670 HydrophobicContact CB-CH2 4.34Å; L552-W670 HydrophobicContact CD1-CH2 3.7Å; L552-W670 HydrophobicContact CD1-CZ2 4.11Å; L552-W670 HydrophobicContact CD2-CH2 3.93Å; L552-W670 HydrophobicContact CG-CH2 4.19Å
553	N	70.8	Confident	81.2	Confident	89 Å²	89	65.7 Å²	65.7	48%	0.476	35%	0.351	S	S	.	.	S	Bend	trans	-77.4	48.4	180	-65.3	-16.6	0	0	0	112	G533 F535 G536 T537	G533-N553 PolarHBondContact O-ND2 3.1Å; G533-N553 VanDerWaalsContact O-ND2 3.11Å; F535-N553 PolarHBondContact O-N 3.32Å; F535-N553 VanDerWaalsContact O-N 3.14Å; G536-N553 VanDerWaalsContact CA-OD1 3.24Å; G536-N553 WeakPolarHBondContact CA-OD1 3.37Å; G536-N553 PolarHBondContact N-ND2 2.86Å; T537-N553 PolarHBondContact N-OD1 3.19Å; T537-N553 PolarHBondContact OG1-OD1 3.49Å
554	V	68.6	Low	79.9	Confident	33 Å²	33	63.8 Å²	63.8	20%	0.2	35%	0.345	C	S	.	.			trans	-140.3	111.8	-176.7	-175.2	0	0	0	0	108.8	L552 P557	L552-V554 PolarHBondContact O-N 3.01Å; V554-P557 HydrophobicContact CG1-CB 3.89Å
555	V	67.5	Low	79	Confident	138 Å²	138	56.6 Å²	56.6	84%	0.836	31%	0.311	S	S	*	.	S	Bend	trans	-73.9	-55.6	179.1	-178.8	0	0	0	0	110.4
556	D	71	Confident	78.3	Confident	143 Å²	143	60.3 Å²	60.3	77%	0.765	32%	0.321	S	S	*	.	S	Bend	trans	-114.6	100.2	177	-74.1	-65.2	0	0	0	110.4
557	P	72	Confident	77.1	Confident	45 Å²	45	60.9 Å²	60.9	29%	0.292	32%	0.324	S	S	.	.			trans	-78.8	129.4	-176.1	30	-34.1	0	0	0	111.9	V554 Q561 I592	V554-P557 HydrophobicContact CG1-CB 3.89Å; P557-Q561 HydrophobicContact CB-CB 4.35Å; P557-I592 HydrophobicContact CB-CD1 4.17Å; P557-I592 HydrophobicContact CG-CD1 3.7Å
558	T	76.4	Confident	75.9	Confident	53 Å²	53	61.2 Å²	61.2	33%	0.325	33%	0.325	S	S	.	.			trans	-61.5	154.8	173.5	70.9	0	0	0	0	111	Q560 Q561 L562	T558-Q560 PolarHBondContact O-N 2.83Å; T558-Q560 VanDerWaalsContact O-N 3.07Å; T558-Q561 PolarHBondContact O-N 3.49Å; T558-Q561 VanDerWaalsContact OG1-CG 3.29Å; T558-Q561 WeakPolarHBondContact OG1-CG 3.4Å; T558-Q561 PolarHBondContact OG1-N 2.96Å; T558-Q561 VanDerWaalsContact OG1-N 3.11Å; T558-Q561 PolarHBondContact OG1-OE1 3.21Å; T558-L562 PolarHBondContact O-N 3.16Å
559	P	77.3	Confident	75.3	Confident	102 Å²	102	61 Å²	61	66%	0.662	32%	0.323	S	S	*	.	H	α-helix	trans	-53.9	-30.9	175	-27.9	36.1	0	0	0	113.4	K563	P559-K563 WeakPolarHBondContact O-CB 3.41Å; P559-K563 PolarHBondContact O-N 3.14Å
560	Q	70.1	Confident	74.7	Confident	138 Å²	138	62.5 Å²	62.5	65%	0.645	33%	0.334	S	S	*	.	H	α-helix	trans	-69.3	-46.6	174.3	-63.6	82.2	-14.3	0	0	111.8	T558 K563 A564	T558-Q560 PolarHBondContact O-N 2.83Å; T558-Q560 VanDerWaalsContact O-N 3.07Å; Q560-K563 PolarHBondContact O-N 2.86Å; Q560-A564 WeakPolarHBondContact O-CB 3.45Å; Q560-A564 PolarHBondContact O-N 3.49Å
561	Q	68.4	Low	74.2	Confident	29 Å²	29	63.8 Å²	63.8	14%	0.136	34%	0.343	C	S	.	.	H	α-helix	trans	-63	-44.9	175	-71.4	169.9	-30.2	0	0	111.2	P557 T558 K563 A564 F565 W670	P557-Q561 HydrophobicContact CB-CB 4.35Å; T558-Q561 PolarHBondContact O-N 3.49Å; T558-Q561 VanDerWaalsContact OG1-CG 3.29Å; T558-Q561 WeakPolarHBondContact OG1-CG 3.4Å; T558-Q561 PolarHBondContact OG1-N 2.96Å; T558-Q561 VanDerWaalsContact OG1-N 3.11Å; T558-Q561 PolarHBondContact OG1-OE1 3.21Å; Q561-K563 VanDerWaalsContact C-N 3.34Å; Q561-K563 PolarHBondContact O-N 3.01Å; Q561-A564 WeakPolarHBondContact O-CB 3.43Å; Q561-A564 PolarHBondContact O-N 3.12Å; Q561-F565 WeakPolarHBondContact O-CB 3.44Å; Q561-F565 PolarHBondContact O-N 3.25Å; Q561-W670 HydrophobicContact CG-CG 4.42Å
562	L	74.8	Confident	74	Confident	57 Å²	57	62.5 Å²	62.5	30%	0.298	34%	0.338	S	S	.	.	H	α-helix	trans	-64.8	-35.5	176.8	-174.2	60.1	0	0	0	112.4	T558 K566 I592	T558-L562 PolarHBondContact O-N 3.16Å; L562-K566 HydrophobicContact CG-CD 4.36Å; L562-K566 WeakPolarHBondContact O-CB 3.35Å; L562-K566 VanDerWaalsContact O-CG 3.32Å; L562-K566 WeakPolarHBondContact O-CG 3.46Å; L562-K566 PolarHBondContact O-N 3.32Å; L562-I592 HydrophobicContact CD1-CD1 3.75Å
563	K	73.5	Confident	74.2	Confident	145 Å²	145	64 Å²	64	63%	0.63	34%	0.342	S	S	*	.	H	α-helix	trans	-68.8	-40.1	173	-175.2	176.5	-178.6	179.7	0	111.8	P559 Q560 Q561 N567	P559-K563 WeakPolarHBondContact O-CB 3.41Å; P559-K563 PolarHBondContact O-N 3.14Å; Q560-K563 PolarHBondContact O-N 2.86Å; Q561-K563 VanDerWaalsContact C-N 3.34Å; Q561-K563 PolarHBondContact O-N 3.01Å; K563-N567 WeakPolarHBondContact O-CB 3.28Å; K563-N567 PolarHBondContact O-N 3.3Å; K563-N567 PolarHBondContact O-OD1 3.04Å
564	A	66.9	Low	74.7	Confident	8 Å²	8	66 Å²	66	7%	0.066	35%	0.347	C	S	.	.	H	α-helix	trans	-61.6	-48.2	173.4	0	0	0	0	0	111	Q560 Q561 K566 N567 E568 V666	Q560-A564 WeakPolarHBondContact O-CB 3.45Å; Q560-A564 PolarHBondContact O-N 3.49Å; Q561-A564 WeakPolarHBondContact O-CB 3.43Å; Q561-A564 PolarHBondContact O-N 3.12Å; A564-K566 PolarHBondContact O-N 3.39Å; A564-N567 WeakPolarHBondContact O-CB 3.46Å; A564-N567 PolarHBondContact O-N 3.12Å; A564-E568 WeakPolarHBondContact O-CB 3.42Å; A564-E568 PolarHBondContact O-N 3.09Å; A564-V666 HydrophobicContact CB-CG2 4.01Å
565	F	74.6	Confident	75.6	Confident	13 Å²	13	64.6 Å²	64.6	6%	0.057	34%	0.338	C	S	.	.	H	α-helix	trans	-57.1	-49.1	175.4	-179.5	-105.1	0	0	0	112.8	L552 Q561 N567 E568 V569 C586 I592 I594	L552-F565 HydrophobicContact CD1-CD2 3.63Å; L552-F565 HydrophobicContact CD1-CE2 3.79Å; L552-F565 HydrophobicContact CD1-CG 4.49Å; Q561-F565 WeakPolarHBondContact O-CB 3.44Å; Q561-F565 PolarHBondContact O-N 3.25Å; F565-N567 PolarHBondContact O-N 2.72Å; F565-E568 PolarHBondContact O-N 3.37Å; F565-V569 HydrophobicContact CD1-CG2 4.34Å; F565-V569 HydrophobicContact CD2-CG2 4.47Å; F565-V569 HydrophobicContact CE1-CG2 3.89Å; F565-V569 HydrophobicContact CE2-CG2 4.06Å; F565-V569 HydrophobicContact CZ-CG2 3.74Å; F565-V569 WeakPolarHBondContact O-CG2 3.48Å; F565-V569 PolarHBondContact O-N 3.1Å; F565-C586 HydrophobicContact CE1-CB 4.2Å; F565-C586 HydrophobicContact CZ-CB 3.81Å; F565-I592 HydrophobicContact CD1-CG2 3.86Å; F565-I592 HydrophobicContact CD2-CG2 3.91Å; F565-I592 HydrophobicContact CE1-CG2 3.44Å; F565-I592 VanDerWaalsContact CE1-CG2 3.44Å; F565-I592 HydrophobicContact CE2-CG2 3.48Å; F565-I592 VanDerWaalsContact CE2-CG2 3.48Å; F565-I592 HydrophobicContact CG-CG2 4.07Å; F565-I592 HydrophobicContact CZ-CG2 3.22Å; F565-I594 HydrophobicContact CE2-CD1 4.03Å; F565-I594 HydrophobicContact CE2-CG1 3.65Å; F565-I594 HydrophobicContact CZ-CG1 4.2Å
566	K	77.8	Confident	76.8	Confident	102 Å²	102	66.3 Å²	66.3	44%	0.443	33%	0.33	S	S	.	.	H	α-helix	trans	-63.4	-39.3	177.9	-75.4	177.7	178.1	-176.1	0	112.5	L562 A564 E568 S570	L562-K566 HydrophobicContact CG-CD 4.36Å; L562-K566 WeakPolarHBondContact O-CB 3.35Å; L562-K566 VanDerWaalsContact O-CG 3.32Å; L562-K566 WeakPolarHBondContact O-CG 3.46Å; L562-K566 PolarHBondContact O-N 3.32Å; A564-K566 PolarHBondContact O-N 3.39Å; K566-E568 VanDerWaalsContact C-N 3.33Å; K566-S570 WeakPolarHBondContact O-CB 3.35Å; K566-S570 PolarHBondContact O-N 3.13Å
567	N	71.7	Confident	78	Confident	88 Å²	88	61.9 Å²	61.9	47%	0.471	30%	0.304	S	S	.	.	H	α-helix	trans	-60.7	-44.8	173.2	-74.6	-5.5	0	0	0	111	K563 A564 F565 S570 V571	K563-N567 WeakPolarHBondContact O-CB 3.28Å; K563-N567 PolarHBondContact O-N 3.3Å; K563-N567 PolarHBondContact O-OD1 3.04Å; A564-N567 WeakPolarHBondContact O-CB 3.46Å; A564-N567 PolarHBondContact O-N 3.12Å; F565-N567 PolarHBondContact O-N 2.72Å; N567-S570 WeakPolarHBondContact O-CB 3.41Å; N567-S570 PolarHBondContact O-N 3.22Å; N567-S570 PolarHBondContact O-OG 2.82Å; N567-V571 PolarHBondContact O-N 3.11Å
568	E	70.9	Confident	79.1	Confident	7 Å²	7	65.5 Å²	65.5	3%	0.033	32%	0.317	C	S	.	.	H	α-helix	trans	-69.1	-44.5	-178.5	-166.1	-179.1	150.4	0	0	112.7	A564 F565 K566 S570 V571 L572 L663 V666	A564-E568 WeakPolarHBondContact O-CB 3.42Å; A564-E568 PolarHBondContact O-N 3.09Å; F565-E568 PolarHBondContact O-N 3.37Å; K566-E568 VanDerWaalsContact C-N 3.33Å; E568-S570 PolarHBondContact O-N 3.17Å; E568-V571 CarbonylContact O-C 3.58Å; E568-V571 WeakPolarHBondContact O-CA 3.43Å; E568-V571 WeakPolarHBondContact O-CB 3.48Å; E568-V571 PolarHBondContact O-N 3.12Å; E568-L572 HydrophobicContact CG-CG 4.48Å; E568-L572 WeakPolarHBondContact O-CG 3.48Å; E568-L572 PolarHBondContact O-N 3.3Å; E568-L663 WeakPolarHBondContact OE1-CA 2.93Å; E568-L663 WeakPolarHBondContact OE1-CD2 3.43Å; E568-L663 WeakPolarHBondContact OE1-CG 3.31Å; E568-L663 PolarHBondContact OE1-N 3.5Å; E568-L663 WeakPolarHBondContact OE2-CA 3.49Å; E568-V666 WeakPolarHBondContact OE2-CG2 3.26Å
569	V	80.7	Confident	80.1	Confident	8 Å²	8	63 Å²	63	5%	0.048	30%	0.302	C	S	.	.	H	α-helix	trans	-54.7	-37.9	169.8	166.3	0	0	0	0	110.9	F565 V571 L572 R573 F583 C586	F565-V569 HydrophobicContact CD1-CG2 4.34Å; F565-V569 HydrophobicContact CD2-CG2 4.47Å; F565-V569 HydrophobicContact CE1-CG2 3.89Å; F565-V569 HydrophobicContact CE2-CG2 4.06Å; F565-V569 HydrophobicContact CZ-CG2 3.74Å; F565-V569 WeakPolarHBondContact O-CG2 3.48Å; F565-V569 PolarHBondContact O-N 3.1Å; V569-V571 PolarHBondContact O-N 2.91Å; V569-L572 PolarHBondContact O-N 2.97Å; V569-R573 HydrophobicContact CG1-CG 4.19Å; V569-R573 VanDerWaalsContact O-CB 3.31Å; V569-R573 WeakPolarHBondContact O-CB 3.34Å; V569-R573 WeakPolarHBondContact O-CD 3.31Å; V569-R573 WeakPolarHBondContact O-CG 3.44Å; V569-R573 PolarHBondContact O-N 3.09Å; V569-F583 HydrophobicContact CG1-CZ 3.87Å; V569-F583 HydrophobicContact CG2-CE2 4.41Å; V569-F583 HydrophobicContact CG2-CZ 4.45Å; V569-C586 HydrophobicContact CG2-CB 4.1Å
570	S	79	Confident	81	Confident	39 Å²	39	58.4 Å²	58.4	27%	0.273	27%	0.272	S	S	.	.	H	α-helix	trans	-68.3	-14.9	174.6	93.2	0	0	0	0	114.6	K566 N567 E568 K574	K566-S570 WeakPolarHBondContact O-CB 3.35Å; K566-S570 PolarHBondContact O-N 3.13Å; N567-S570 WeakPolarHBondContact O-CB 3.41Å; N567-S570 PolarHBondContact O-N 3.22Å; N567-S570 PolarHBondContact O-OG 2.82Å; E568-S570 PolarHBondContact O-N 3.17Å; S570-K574 VanDerWaalsContact O-CD 3.24Å; S570-K574 WeakPolarHBondContact O-CD 3.29Å; S570-K574 WeakPolarHBondContact O-CE 3.47Å; S570-K574 WeakPolarHBondContact O-CG 3.45Å; S570-K574 PolarHBondContact O-NZ 3.42Å
571	V	78.7	Confident	82.1	Confident	46 Å²	46	52.7 Å²	52.7	28%	0.279	25%	0.246	S	C	.	.	H	α-helix	trans	-89.7	-51.3	171	175.4	0	0	0	0	109.9	N567 E568 V569 R573 K574 I639	N567-V571 PolarHBondContact O-N 3.11Å; E568-V571 CarbonylContact O-C 3.58Å; E568-V571 WeakPolarHBondContact O-CA 3.43Å; E568-V571 WeakPolarHBondContact O-CB 3.48Å; E568-V571 PolarHBondContact O-N 3.12Å; V569-V571 PolarHBondContact O-N 2.91Å; V571-R573 VanDerWaalsContact C-N 3.3Å; V571-R573 PolarHBondContact O-N 3.08Å; V571-K574 WeakPolarHBondContact O-CB 3.41Å; V571-K574 PolarHBondContact O-N 3.38Å; V571-I639 HydrophobicContact CG1-CD1 3.62Å; V571-I639 HydrophobicContact CG1-CG1 3.77Å; V571-I639 HydrophobicContact CG1-CG2 4Å
572	L	83.3	Confident	83.2	Confident	13 Å²	13	54.6 Å²	54.6	7%	0.068	26%	0.256	C	S	.	.	H	α-helix	trans	-54.6	-44.6	179.2	-62.6	178.1	0	0	0	111.8	E568 V569 K574 T575 F583 I594 F661	E568-L572 HydrophobicContact CG-CG 4.48Å; E568-L572 WeakPolarHBondContact O-CG 3.48Å; E568-L572 PolarHBondContact O-N 3.3Å; V569-L572 PolarHBondContact O-N 2.97Å; L572-K574 PolarHBondContact O-N 3.44Å; L572-K574 VanDerWaalsContact O-N 3.07Å; L572-T575 PolarHBondContact O-N 3.14Å; L572-T575 PolarHBondContact O-OG1 3.02Å; L572-F583 HydrophobicContact CB-CB 4.08Å; L572-F583 HydrophobicContact CB-CD2 3.61Å; L572-F583 HydrophobicContact CB-CE2 4.14Å; L572-F583 HydrophobicContact CB-CG 3.81Å; L572-F583 HydrophobicContact CD1-CD2 3.76Å; L572-F583 HydrophobicContact CD1-CE2 4.03Å; L572-F583 HydrophobicContact CG-CD2 4.31Å; L572-I594 HydrophobicContact CD1-CD1 4.16Å; L572-I594 HydrophobicContact CD1-CG2 4.36Å; L572-F661 HydrophobicContact CD2-CD2 3.99Å; L572-F661 HydrophobicContact CD2-CE2 3.44Å; L572-F661 VanDerWaalsContact CD2-CE2 3.44Å; L572-F661 HydrophobicContact CD2-CZ 3.78Å
573	R	84.4	Confident	84	Confident	48 Å²	48	52.3 Å²	52.3	18%	0.181	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-20.7	175.5	-75.7	172.2	62.1	-168	3.1	115.3	S513 E516 W517 V569 V571 F583	S513-R573 PolarHBondContact O-NH1 3.05Å; S513-R573 PolarHBondContact O-NH2 3.37Å; E516-R573 IonicContact OE2-NH2 2.85Å; E516-R573 PolarHBondContact OE2-NH2 3.1Å; E516-R573 VanDerWaalsContact OE2-NH2 3.13Å; W517-R573 HydrophobicContact CB-CG 4.45Å; W517-R573 HydrophobicContact CD2-CG 4.08Å; W517-R573 HydrophobicContact CE3-CG 4.42Å; W517-R573 HydrophobicContact CG-CG 4.07Å; W517-R573 VanDerWaalsContact CG-NE 3.28Å; W517-R573 VanDerWaalsContact NE1-NH2 3.19Å; V569-R573 HydrophobicContact CG1-CG 4.19Å; V569-R573 VanDerWaalsContact O-CB 3.31Å; V569-R573 WeakPolarHBondContact O-CB 3.34Å; V569-R573 WeakPolarHBondContact O-CD 3.31Å; V569-R573 WeakPolarHBondContact O-CG 3.44Å; V569-R573 PolarHBondContact O-N 3.09Å; V571-R573 VanDerWaalsContact C-N 3.3Å; V571-R573 PolarHBondContact O-N 3.08Å; R573-F583 HydrophobicContact CG-CD1 3.87Å; R573-F583 HydrophobicContact CG-CE1 3.39Å; R573-F583 HydrophobicContact CG-CZ 4.13Å
574	K	80.7	Confident	84.9	Confident	131 Å²	131	47.8 Å²	47.8	57%	0.57	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-5.4	177.8	-64.6	168.3	-175.2	139.1	0	112.6	S570 V571 L572 Y633	S570-K574 VanDerWaalsContact O-CD 3.24Å; S570-K574 WeakPolarHBondContact O-CD 3.29Å; S570-K574 WeakPolarHBondContact O-CE 3.47Å; S570-K574 WeakPolarHBondContact O-CG 3.45Å; S570-K574 PolarHBondContact O-NZ 3.42Å; V571-K574 WeakPolarHBondContact O-CB 3.41Å; V571-K574 PolarHBondContact O-N 3.38Å; L572-K574 PolarHBondContact O-N 3.44Å; L572-K574 VanDerWaalsContact O-N 3.07Å; K574-Y633 PolarHBondContact O-OH 3.18Å
575	T	88.8	Confident	86	Confident	4 Å²	4	47.4 Å²	47.4	3%	0.025	22%	0.222	C	C	.	.			trans	-97.4	122	-178.9	67	0	0	0	0	112	L572 Y633 L634 I639 F661	L572-T575 PolarHBondContact O-N 3.14Å; L572-T575 PolarHBondContact O-OG1 3.02Å; T575-Y633 HydrophobicContact CG2-CE1 4.37Å; T575-L634 HydrophobicContact CG2-CD2 3.9Å; T575-I639 HydrophobicContact CG2-CD1 3.54Å; T575-F661 HydrophobicContact CG2-CE2 3.79Å; T575-F661 HydrophobicContact CG2-CZ 4.18Å
576	R	92.3	Very high	86.7	Confident	174 Å²	174	47.4 Å²	47.4	66%	0.657	22%	0.224	S	C	*	.			trans	-150.1	101.6	173.6	-75.3	-175.8	171.2	163.6	-7.3	107.4	Y633	R576-Y633 PolarHBondContact N-OH 3.19Å; R576-Y633 WeakPolarHBondContact O-CE2 3.32Å; R576-Y633 PolarHBondContact O-OH 3.49Å
577	H	95.2	Very high	87.2	Confident	50 Å²	50	42.9 Å²	42.9	23%	0.231	21%	0.205	C	C	.	.			trans	-154.7	150.6	178.4	179.8	-105.3	0	0	0	108.5	N579 I580 Q629 Y633	H577-N579 VanDerWaalsContact C-N 3.28Å; H577-N579 PolarHBondContact CE1-OD1 3.27Å; H577-N579 PolarHBondContact ND1-N 2.98Å; H577-N579 VanDerWaalsContact ND1-N 3.17Å; H577-N579 PolarHBondContact O-N 2.91Å; H577-I580 HydrophobicContact CB-CB 4.26Å; H577-I580 HydrophobicContact CB-CG1 3.91Å; H577-I580 PolarHBondContact O-N 3.03Å; H577-Q629 PolarHBondContact CE1-NE2 3.45Å; H577-Q629 PolarHBondContact NE2-NE2 3.35Å; H577-Q629 VanDerWaalsContact NE2-NE2 3.19Å; H577-Y633 HydrophobicContact CB-CD1 3.73Å; H577-Y633 HydrophobicContact CB-CD2 3.72Å; H577-Y633 HydrophobicContact CB-CE1 3.9Å; H577-Y633 HydrophobicContact CB-CE2 3.85Å; H577-Y633 HydrophobicContact CB-CG 3.65Å; H577-Y633 AromaticContact CD2-CD2 3.84Å; H577-Y633 AromaticContact CG-CD2 3.87Å; H577-Y633 AromaticContact CG-CG 3.76Å
578	E	96.1	Very high	87.7	Confident	120 Å²	120	40.8 Å²	40.8	56%	0.561	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-43	-176.8	-176.1	168.3	-165.2	0	0	112.1	I580 K657	E578-I580 VanDerWaalsContact C-N 3.34Å; E578-I580 PolarHBondContact O-N 3.24Å; E578-K657 WeakPolarHBondContact O-CD 3.4Å; E578-K657 WeakPolarHBondContact O-CE 3.15Å; E578-K657 PolarHBondContact O-NZ 2.88Å
579	N	97.4	Very high	88.2	Confident	2 Å²	2	48 Å²	48	1%	0.011	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	10.1	-177.6	-54.5	114.3	0	0	0	116.1	H577 Q626 Q629 V656 I658	H577-N579 VanDerWaalsContact C-N 3.28Å; H577-N579 PolarHBondContact CE1-OD1 3.27Å; H577-N579 PolarHBondContact ND1-N 2.98Å; H577-N579 VanDerWaalsContact ND1-N 3.17Å; H577-N579 PolarHBondContact O-N 2.91Å; N579-Q626 WeakPolarHBondContact CB-O 3.3Å; N579-Q626 PolarHBondContact ND2-OE1 2.77Å; N579-Q626 PolarHBondContact OD1-O 3.44Å; N579-Q629 PolarHBondContact OD1-NE2 2.82Å; N579-V656 WeakPolarHBondContact CA-O 3.38Å; N579-V656 PolarHBondContact ND2-O 2.84Å; N579-V656 VanDerWaalsContact ND2-O 3.1Å; N579-I658 PolarHBondContact O-N 3.45Å
580	I	95.1	Very high	88	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.021	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-109.7	138.1	175.8	-61.5	-56.5	0	0	0	108.9	H577 E578 L582 Y633 L634 I658 F661	H577-I580 HydrophobicContact CB-CB 4.26Å; H577-I580 HydrophobicContact CB-CG1 3.91Å; H577-I580 PolarHBondContact O-N 3.03Å; E578-I580 VanDerWaalsContact C-N 3.34Å; E578-I580 PolarHBondContact O-N 3.24Å; I580-L582 PolarHBondContact O-N 3.31Å; I580-Y633 HydrophobicContact CG1-CD1 4.07Å; I580-L634 HydrophobicContact CD1-CD1 3.82Å; I580-L634 HydrophobicContact CD1-CD2 4.11Å; I580-L634 HydrophobicContact CD1-CG 3.76Å; I580-L634 HydrophobicContact CG1-CD2 4.45Å; I580-L634 HydrophobicContact CG1-CG 4.48Å; I580-I658 HydrophobicContact CD1-CB 4.01Å; I580-I658 HydrophobicContact CD1-CD1 4.33Å; I580-F661 HydrophobicContact CG2-CE1 3.52Å; I580-F661 HydrophobicContact CG2-CZ 3.47Å; I580-F661 VanDerWaalsContact CG2-CZ 3.47Å
581	L	93.1	Very high	88	Confident	19 Å²	19	53.9 Å²	53.9	10%	0.099	27%	0.266	C	S	.	.			trans	-63	116.2	176.1	-170.7	72.8	0	0	0	109.3	F583 T596 Q597 C599 K657 I658	L581-F583 PolarHBondContact O-N 3.39Å; L581-F583 VanDerWaalsContact O-N 3.14Å; L581-T596 HydrophobicContact CD2-CG2 4.07Å; L581-T596 HydrophobicContact CG-CG2 4.39Å; L581-Q597 HydrophobicContact CD1-CG 3.58Å; L581-Q597 HydrophobicContact CG-CG 4.22Å; L581-C599 WeakPolarHBondContact CD1-SG 3.39Å; L581-K657 HydrophobicContact CD1-CB 4.22Å; L581-I658 VanDerWaalsContact CB-O 3.28Å; L581-I658 WeakPolarHBondContact CB-O 3.47Å; L581-I658 PolarHBondContact N-O 3.02Å
582	L	92.6	Very high	88.3	Confident	68 Å²	68	52.6 Å²	52.6	36%	0.356	26%	0.258	S	S	.	.			trans	-63.4	115.6	-175.1	178.3	64.1	0	0	0	111.6	I580 M584 T596 Q597	I580-L582 PolarHBondContact O-N 3.31Å; L582-M584 HydrophobicContact CD2-CE 4.4Å; L582-M584 HydrophobicContact CG-CG 4.46Å; L582-T596 CarbonylContact O-C 3.54Å; L582-T596 VanDerWaalsContact O-CA 3.25Å; L582-T596 WeakPolarHBondContact O-CA 3.32Å; L582-T596 WeakPolarHBondContact O-CB 3.36Å; L582-Q597 HydrophobicContact CB-CB 4.16Å; L582-Q597 HydrophobicContact CB-CG 4Å; L582-Q597 PolarHBondContact O-N 2.82Å
583	F	91.5	Very high	88.5	Confident	9 Å²	9	52 Å²	52	4%	0.039	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	127.9	163.6	176.9	-90.1	0	0	0	110	W517 V569 L572 R573 L581 G585 C586 I594	W517-F583 HydrophobicContact CB-CE1 4.5Å; W517-F583 HydrophobicContact CE3-CD1 4.2Å; W517-F583 AromaticContact CE3-CE1 3.92Å; W517-F583 HydrophobicContact CE3-CE1 3.92Å; V569-F583 HydrophobicContact CG1-CZ 3.87Å; V569-F583 HydrophobicContact CG2-CE2 4.41Å; V569-F583 HydrophobicContact CG2-CZ 4.45Å; L572-F583 HydrophobicContact CB-CB 4.08Å; L572-F583 HydrophobicContact CB-CD2 3.61Å; L572-F583 HydrophobicContact CB-CE2 4.14Å; L572-F583 HydrophobicContact CB-CG 3.81Å; L572-F583 HydrophobicContact CD1-CD2 3.76Å; L572-F583 HydrophobicContact CD1-CE2 4.03Å; L572-F583 HydrophobicContact CG-CD2 4.31Å; R573-F583 HydrophobicContact CG-CD1 3.87Å; R573-F583 HydrophobicContact CG-CE1 3.39Å; R573-F583 HydrophobicContact CG-CZ 4.13Å; L581-F583 PolarHBondContact O-N 3.39Å; L581-F583 VanDerWaalsContact O-N 3.14Å; F583-G585 VanDerWaalsContact CE2-O 3.3Å; F583-G585 WeakPolarHBondContact CE2-O 3.46Å; F583-G585 VanDerWaalsContact CZ-CA 3.5Å; F583-G585 WeakPolarHBondContact CZ-O 3.5Å; F583-C586 HydrophobicContact CZ-CB 4.39Å; F583-I594 HydrophobicContact CD2-CG2 4.04Å; F583-I594 HydrophobicContact CE2-CG2 4.03Å
584	M	91.5	Very high	88.7	Confident	50 Å²	50	50.2 Å²	50.2	25%	0.246	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-38	-179.3	-71.2	175.9	160.3	0	0	112.1	W543 V547 L582 I595 Q597	W543-M584 HydrophobicContact CZ3-CB 4.09Å; V547-M584 HydrophobicContact CB-SD 4.39Å; V547-M584 HydrophobicContact CG1-CE 4.44Å; V547-M584 HydrophobicContact CG1-SD 3.53Å; V547-M584 VanDerWaalsContact CG1-SD 3.53Å; L582-M584 HydrophobicContact CD2-CE 4.4Å; L582-M584 HydrophobicContact CG-CG 4.46Å; M584-I595 HydrophobicContact CB-CB 4.46Å; M584-I595 HydrophobicContact CB-CG2 4.15Å; M584-I595 WeakPolarHBondContact CB-O 3.13Å; M584-I595 PolarHBondContact N-O 2.95Å; M584-Q597 HydrophobicContact CE-CB 3.86Å
585	G	90.5	Very high	89.3	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173	-172.8	178.1	0	0	0	0	0	112.2	W517 F583 I595	W517-G585 WeakPolarHBondContact O-CA 3.47Å; F583-G585 VanDerWaalsContact CE2-O 3.3Å; F583-G585 WeakPolarHBondContact CE2-O 3.46Å; F583-G585 VanDerWaalsContact CZ-CA 3.5Å; F583-G585 WeakPolarHBondContact CZ-O 3.5Å; G585-I595 PolarHBondContact N-O 3.48Å; G585-I595 PolarHBondContact O-N 3.24Å
586	C	90	Very high	89.4	Confident	14 Å²	14	44.8 Å²	44.8	10%	0.095	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	151.4	172.4	57.5	0	0	0	0	111.6	W517 E518 I519 F565 V569 F583 A593	W517-C586 PolarHBondContact O-N 3.19Å; E518-C586 CarbonylContact C-O 3.31Å; E518-C586 WeakPolarHBondContact CA-O 3.43Å; I519-C586 PolarHBondContact N-O 3.45Å; F565-C586 HydrophobicContact CE1-CB 4.2Å; F565-C586 HydrophobicContact CZ-CB 3.81Å; V569-C586 HydrophobicContact CG2-CB 4.1Å; F583-C586 HydrophobicContact CZ-CB 4.39Å; C586-A593 CarbonylContact C-O 3.55Å; C586-A593 VanDerWaalsContact CA-O 3.26Å; C586-A593 WeakPolarHBondContact CA-O 3.48Å; C586-A593 WeakPolarHBondContact CB-O 3.47Å
587	V	88.5	Confident	89.4	Confident	7 Å²	7	37.7 Å²	37.7	4%	0.042	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	138.8	172.1	-174.8	0	0	0	0	108.1	I524 K589 I592 A593 I595	I524-V587 HydrophobicContact CD1-CG2 3.26Å; V587-K589 WeakPolarHBondContact CG1-O 3.43Å; V587-I592 WeakPolarHBondContact O-CA 3.19Å; V587-A593 HydrophobicContact CB-CB 4.09Å; V587-A593 HydrophobicContact CG2-CB 4.31Å; V587-A593 PolarHBondContact N-O 2.86Å; V587-A593 PolarHBondContact O-N 3.15Å; V587-I595 HydrophobicContact CG2-CD1 4.01Å; V587-I595 HydrophobicContact CG2-CG1 4.12Å
588	S	82	Confident	89.4	Confident	44 Å²	44	37.6 Å²	37.6	31%	0.308	20%	0.199	S	C	.	.			trans	-103.5	-24.4	175	71.2	0	0	0	0	113.7	E518 C591	E518-S588 VanDerWaalsContact OE1-CB 3.23Å; E518-S588 WeakPolarHBondContact OE1-CB 3.16Å; E518-S588 PolarHBondContact OE1-OG 3.29Å; S588-C591 CarbonylContact C-O 3.56Å
589	K	79.9	Confident	89.2	Confident	157 Å²	157	32.6 Å²	32.6	68%	0.683	18%	0.177	S	C	*	.	S	Bend	trans	-148.5	142.3	-173.8	-65.9	179.1	-177.3	178.8	0	110.3	V587 C591	V587-K589 WeakPolarHBondContact CG1-O 3.43Å; K589-C591 PolarHBondContact N-O 3.11Å
590	P	76.8	Confident	88.6	Confident	129 Å²	129	36.5 Å²	36.5	84%	0.838	20%	0.195	S	C	*	.	S	Bend	cis	-75.1	-22.5	3.1	30.5	-35.9	0	0	0	113.9
591	C	79.8	Confident	88.1	Confident	42 Å²	42	39 Å²	39	28%	0.284	22%	0.222	S	C	.	.	S	Bend	trans	-117.8	162.9	172.5	60	0	0	0	0	110.3	S588 K589	S588-C591 CarbonylContact C-O 3.56Å; K589-C591 PolarHBondContact N-O 3.11Å
592	I	84.6	Confident	87.9	Confident	19 Å²	19	39.2 Å²	39.2	10%	0.097	23%	0.225	C	C	.	.			trans	-82.6	122.7	168.6	-60.2	-170	0	0	0	109.3	L552 P557 L562 F565 V587	L552-I592 HydrophobicContact CD1-CB 4.23Å; L552-I592 HydrophobicContact CD1-CG2 3.62Å; L552-I592 HydrophobicContact CG-CG2 4.24Å; L552-I592 PolarHBondContact N-O 2.88Å; P557-I592 HydrophobicContact CB-CD1 4.17Å; P557-I592 HydrophobicContact CG-CD1 3.7Å; L562-I592 HydrophobicContact CD1-CD1 3.75Å; F565-I592 HydrophobicContact CD1-CG2 3.86Å; F565-I592 HydrophobicContact CD2-CG2 3.91Å; F565-I592 HydrophobicContact CE1-CG2 3.44Å; F565-I592 VanDerWaalsContact CE1-CG2 3.44Å; F565-I592 HydrophobicContact CE2-CG2 3.48Å; F565-I592 VanDerWaalsContact CE2-CG2 3.48Å; F565-I592 HydrophobicContact CG-CG2 4.07Å; F565-I592 HydrophobicContact CZ-CG2 3.22Å; V587-I592 WeakPolarHBondContact O-CA 3.19Å
593	A	88.3	Confident	87.9	Confident	2 Å²	2	37.1 Å²	37.1	2%	0.017	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	149.8	176.2	0	0	0	0	0	112.7	I549 K550 E551 C586 V587 I595	I549-A593 HydrophobicContact CG2-CB 3.94Å; K550-A593 CarbonylContact O-C 3.56Å; K550-A593 VanDerWaalsContact O-CA 3.25Å; K550-A593 WeakPolarHBondContact O-CA 3.45Å; E551-A593 HydrophobicContact CG-CB 4.1Å; C586-A593 CarbonylContact C-O 3.55Å; C586-A593 VanDerWaalsContact CA-O 3.26Å; C586-A593 WeakPolarHBondContact CA-O 3.48Å; C586-A593 WeakPolarHBondContact CB-O 3.47Å; V587-A593 HydrophobicContact CB-CB 4.09Å; V587-A593 HydrophobicContact CG2-CB 4.31Å; V587-A593 PolarHBondContact N-O 2.86Å; V587-A593 PolarHBondContact O-N 3.15Å; A593-I595 HydrophobicContact CB-CD1 4.42Å
594	I	88.4	Confident	88	Confident	10 Å²	10	36.7 Å²	36.7	5%	0.051	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	131.9	167.3	-60.6	178.9	0	0	0	108.1	K550 F565 L572 F583 T596 L663	K550-I594 HydrophobicContact CB-CB 4.42Å; K550-I594 PolarHBondContact N-O 3.48Å; K550-I594 PolarHBondContact O-N 3.43Å; F565-I594 HydrophobicContact CE2-CD1 4.03Å; F565-I594 HydrophobicContact CE2-CG1 3.65Å; F565-I594 HydrophobicContact CZ-CG1 4.2Å; L572-I594 HydrophobicContact CD1-CD1 4.16Å; L572-I594 HydrophobicContact CD1-CG2 4.36Å; F583-I594 HydrophobicContact CD2-CG2 4.04Å; F583-I594 HydrophobicContact CE2-CG2 4.03Å; I594-T596 HydrophobicContact CG2-CG2 4.16Å; I594-L663 HydrophobicContact CD1-CD2 4.39Å
595	I	92	Very high	88.1	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	120	176.5	-46.6	-57.6	0	0	0	108.6	I519 I524 V547 I549 M584 G585 V587 A593	I519-I595 HydrophobicContact CD1-CB 4.16Å; I519-I595 HydrophobicContact CD1-CG1 3.95Å; I519-I595 HydrophobicContact CD1-CG2 4.45Å; I524-I595 HydrophobicContact CD1-CD1 3.85Å; I524-I595 HydrophobicContact CD1-CG1 4.03Å; V547-I595 HydrophobicContact CB-CG2 3.87Å; V547-I595 HydrophobicContact CG1-CG2 4.11Å; V547-I595 HydrophobicContact CG2-CG2 4.03Å; I549-I595 HydrophobicContact CB-CD1 4.2Å; I549-I595 HydrophobicContact CG1-CD1 4.05Å; I549-I595 HydrophobicContact CG2-CD1 3.85Å; M584-I595 HydrophobicContact CB-CB 4.46Å; M584-I595 HydrophobicContact CB-CG2 4.15Å; M584-I595 WeakPolarHBondContact CB-O 3.13Å; M584-I595 PolarHBondContact N-O 2.95Å; G585-I595 PolarHBondContact N-O 3.48Å; G585-I595 PolarHBondContact O-N 3.24Å; V587-I595 HydrophobicContact CG2-CD1 4.01Å; V587-I595 HydrophobicContact CG2-CG1 4.12Å; A593-I595 HydrophobicContact CB-CD1 4.42Å
596	T	92.1	Very high	88	Confident	21 Å²	21	43 Å²	43	13%	0.129	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	165.9	174.6	50.5	0	0	0	0	110.8	V547 A548 L581 L582 I594 W598	V547-T596 WeakPolarHBondContact CA-O 3.32Å; A548-T596 PolarHBondContact N-O 3.24Å; A548-T596 PolarHBondContact O-N 3.49Å; A548-T596 VanDerWaalsContact O-N 3.09Å; L581-T596 HydrophobicContact CD2-CG2 4.07Å; L581-T596 HydrophobicContact CG-CG2 4.39Å; L582-T596 CarbonylContact O-C 3.54Å; L582-T596 VanDerWaalsContact O-CA 3.25Å; L582-T596 WeakPolarHBondContact O-CA 3.32Å; L582-T596 WeakPolarHBondContact O-CB 3.36Å; I594-T596 HydrophobicContact CG2-CG2 4.16Å; T596-W598 PolarHBondContact O-N 2.78Å
597	Q	93.1	Very high	88	Confident	25 Å²	25	44.1 Å²	44.1	12%	0.117	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	143.2	168.6	67.8	163	107.5	0	0	110.6	L581 L582 M584	L581-Q597 HydrophobicContact CD1-CG 3.58Å; L581-Q597 HydrophobicContact CG-CG 4.22Å; L582-Q597 HydrophobicContact CB-CB 4.16Å; L582-Q597 HydrophobicContact CB-CG 4Å; L582-Q597 PolarHBondContact O-N 2.82Å; M584-Q597 HydrophobicContact CE-CB 3.86Å
598	W	93.9	Very high	88.1	Confident	47 Å²	47	44.2 Å²	44.2	18%	0.178	24%	0.243	C	C	.	.			trans	-69	154.5	159.8	-174.8	-99.6	0	0	0	110	I530 K540 N546 A548 T596 E600	I530-W598 HydrophobicContact CD1-CH2 3.86Å; I530-W598 HydrophobicContact CD1-CZ3 4.39Å; I530-W598 HydrophobicContact CG1-CH2 3.85Å; I530-W598 HydrophobicContact CG1-CZ3 3.96Å; I530-W598 HydrophobicContact CG2-CH2 4.29Å; K540-W598 HydrophobicContact CB-CE3 3.97Å; K540-W598 HydrophobicContact CB-CH2 3.94Å; K540-W598 HydrophobicContact CB-CZ3 3.56Å; K540-W598 HydrophobicContact CD-CD2 3.87Å; K540-W598 HydrophobicContact CD-CE3 4.02Å; K540-W598 HydrophobicContact CD-CH2 3.91Å; K540-W598 HydrophobicContact CD-CZ2 3.73Å; K540-W598 HydrophobicContact CD-CZ3 4.04Å; K540-W598 HydrophobicContact CG-CD2 3.98Å; K540-W598 HydrophobicContact CG-CE3 3.68Å; K540-W598 HydrophobicContact CG-CH2 4.12Å; K540-W598 HydrophobicContact CG-CZ2 4.38Å; K540-W598 HydrophobicContact CG-CZ3 3.76Å; N546-W598 HydrophobicContact CB-CB 3.7Å; N546-W598 HydrophobicContact CB-CG 4.01Å; N546-W598 VanDerWaalsContact O-CB 3.24Å; N546-W598 WeakPolarHBondContact O-CB 3.41Å; N546-W598 PolarHBondContact O-N 2.99Å; A548-W598 HydrophobicContact CB-CE3 4.16Å; T596-W598 PolarHBondContact O-N 2.78Å; W598-E600 PolarHBondContact NE1-OE1 2.8Å; W598-E600 PolarHBondContact NE1-OE2 3.19Å
599	C	92.2	Very high	88.3	Confident	16 Å²	16	44.1 Å²	44.1	11%	0.108	24%	0.237	C	C	.	.			trans	-122	109.8	170.8	-73.9	0	0	0	0	108	L581 G601 H652	L581-C599 WeakPolarHBondContact CD1-SG 3.39Å; C599-G601 PolarHBondContact O-N 3.33Å; C599-H652 HydrophobicContact CB-CB 4.01Å
600	E	84.4	Confident	88.5	Confident	84 Å²	84	41 Å²	41	39%	0.393	23%	0.231	S	C	.	.	S	Bend	trans	-73.7	107.2	168.3	-54.1	-62.3	173.6	0	0	107.2	K540 N546 W598 H652	K540-E600 IonicContact NZ-OE1 2.82Å; K540-E600 PolarHBondContact NZ-OE1 2.86Å; K540-E600 IonicContact NZ-OE2 3.29Å; K540-E600 PolarHBondContact NZ-OE2 3.42Å; N546-E600 PolarHBondContact ND2-OE1 3.2Å; W598-E600 PolarHBondContact NE1-OE1 2.8Å; W598-E600 PolarHBondContact NE1-OE2 3.19Å; E600-H652 PolarHBondContact N-ND1 2.8Å; E600-H652 PolarHBondContact O-ND1 2.83Å
601	G	84	Confident	89	Confident	57 Å²	57	39.7 Å²	39.7	59%	0.588	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	149.1	-153.5	-168.3	0	0	0	0	0	112.3	C599 L651	C599-G601 PolarHBondContact O-N 3.33Å; G601-L651 WeakPolarHBondContact CA-O 3.36Å
602	S	89.2	Confident	89.3	Confident	23 Å²	23	41.3 Å²	41.3	16%	0.161	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	175.8	175.2	85.7	0	0	0	0	113.6	H607 L651	S602-H607 PolarHBondContact OG-CD2 2.89Å; S602-H607 PolarHBondContact OG-NE2 2.92Å; S602-L651 PolarHBondContact N-O 3.49Å; S602-L651 PolarHBondContact O-N 3.04Å
603	S	92.6	Very high	89.4	Confident	23 Å²	23	44.2 Å²	44.2	16%	0.161	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	148.3	177.6	60.3	0	0	0	0	112	Y605 K606 H607 S647 I649	S603-Y605 PolarHBondContact O-N 3.07Å; S603-K606 WeakPolarHBondContact O-CA 2.97Å; S603-K606 WeakPolarHBondContact O-CB 3.39Å; S603-K606 PolarHBondContact O-N 3.5Å; S603-H607 PolarHBondContact O-CD2 3.06Å; S603-H607 PolarHBondContact O-N 2.97Å; S603-H607 VanDerWaalsContact O-N 3.1Å; S603-S647 WeakPolarHBondContact CB-O 3.33Å; S603-I649 CarbonylContact C-O 3.46Å; S603-I649 WeakPolarHBondContact CA-O 3.49Å
604	L	95.1	Very high	89.3	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-56.9	-34	177.8	179.5	61.9	0	0	0	111.4	K606 H607 L608 F615 I623 S646 I649 L651 V710 L714	L604-K606 VanDerWaalsContact C-N 3.33Å; L604-K606 PolarHBondContact O-N 3.37Å; L604-H607 PolarHBondContact O-N 3.24Å; L604-L608 HydrophobicContact CD1-CD1 3.93Å; L604-L608 HydrophobicContact CD1-CG 3.99Å; L604-L608 HydrophobicContact CD2-CD1 4.43Å; L604-L608 HydrophobicContact CG-CD1 3.84Å; L604-L608 HydrophobicContact CG-CG 4.3Å; L604-L608 WeakPolarHBondContact O-CG 3.25Å; L604-L608 PolarHBondContact O-N 3.19Å; L604-F615 HydrophobicContact CD1-CE2 3.78Å; L604-F615 HydrophobicContact CD1-CZ 4.07Å; L604-I623 HydrophobicContact CD1-CG2 4.34Å; L604-I623 HydrophobicContact CD2-CG2 4.12Å; L604-S646 WeakPolarHBondContact CB-O 3.36Å; L604-S646 PolarHBondContact N-O 3.44Å; L604-S646 VanDerWaalsContact N-O 3.17Å; L604-I649 HydrophobicContact CB-CB 4.22Å; L604-I649 HydrophobicContact CB-CG2 4.13Å; L604-I649 HydrophobicContact CD2-CD1 4.5Å; L604-I649 HydrophobicContact CD2-CG2 4.16Å; L604-I649 PolarHBondContact N-O 3.18Å; L604-L651 HydrophobicContact CD1-CD1 4.2Å; L604-V710 HydrophobicContact CD2-CG1 4.05Å; L604-L714 HydrophobicContact CD1-CD2 3.93Å; L604-L714 HydrophobicContact CD2-CD2 4.12Å; L604-L714 HydrophobicContact CD2-CG 4.33Å
605	Y	92.1	Very high	89.4	Confident	79 Å²	79	51.2 Å²	51.2	31%	0.31	26%	0.258	S	S	.	.	H	α-helix	trans	-56.8	-44.2	170.8	-172.3	-77.9	0	0	0	112.1	S603 L608 H609 V610 S646 W684 L719	S603-Y605 PolarHBondContact O-N 3.07Å; Y605-L608 PolarHBondContact O-N 2.88Å; Y605-H609 HydrophobicContact CD1-CB 4.42Å; Y605-H609 AromaticContact CD2-CD2 3.6Å; Y605-H609 HydrophobicContact CE1-CB 4.11Å; Y605-H609 AromaticContact CE2-CD2 3.74Å; Y605-H609 AromaticContact CG-CD2 3.89Å; Y605-H609 PolarHBondContact O-N 2.91Å; Y605-V610 HydrophobicContact CD1-CG2 4.31Å; Y605-V610 HydrophobicContact CE1-CG2 4.18Å; Y605-S646 WeakPolarHBondContact CB-OG 3.27Å; Y605-S646 WeakPolarHBondContact CD2-OG 3.34Å; Y605-S646 PolarHBondContact N-O 2.99Å; Y605-W684 HydrophobicContact CD2-CH2 4.32Å; Y605-W684 HydrophobicContact CE2-CH2 4.19Å; Y605-L719 HydrophobicContact CE2-CD1 4.27Å; Y605-L719 HydrophobicContact CE2-CD2 4.17Å
606	K	89.7	Confident	89.4	Confident	103 Å²	103	56.5 Å²	56.5	45%	0.448	29%	0.286	S	S	.	.	H	α-helix	trans	-68.2	-37.9	178.4	-171.9	171.9	-176.5	171.8	0	111.1	S603 L604 V610 L611	S603-K606 WeakPolarHBondContact O-CA 2.97Å; S603-K606 WeakPolarHBondContact O-CB 3.39Å; S603-K606 PolarHBondContact O-N 3.5Å; L604-K606 VanDerWaalsContact C-N 3.33Å; L604-K606 PolarHBondContact O-N 3.37Å; K606-V610 HydrophobicContact CG-CB 4.05Å; K606-V610 HydrophobicContact CG-CG1 4.35Å; K606-V610 WeakPolarHBondContact O-CB 3.47Å; K606-V610 PolarHBondContact O-N 2.84Å; K606-L611 HydrophobicContact CG-CD1 4.35Å; K606-L611 HydrophobicContact CG-CG 4.29Å; K606-L611 WeakPolarHBondContact O-CB 3.45Å; K606-L611 WeakPolarHBondContact O-CG 3.44Å; K606-L611 PolarHBondContact O-N 2.65Å
607	H	90.4	Very high	89.4	Confident	39 Å²	39	56.4 Å²	56.4	18%	0.181	29%	0.286	C	S	.	.	H	α-helix	trans	-62.8	-49.4	173.5	-76.7	-91.1	0	0	0	112.1	S602 S603 L604 E612 H613 F615	S602-H607 PolarHBondContact OG-CD2 2.89Å; S602-H607 PolarHBondContact OG-NE2 2.92Å; S603-H607 PolarHBondContact O-CD2 3.06Å; S603-H607 PolarHBondContact O-N 2.97Å; S603-H607 VanDerWaalsContact O-N 3.1Å; L604-H607 PolarHBondContact O-N 3.24Å; H607-E612 PolarHBondContact O-N 2.89Å; H607-H613 HydrophobicContact CB-CB 4.44Å; H607-H613 WeakPolarHBondContact O-CB 3.43Å; H607-H613 PolarHBondContact O-N 3.23Å; H607-F615 HydrophobicContact CB-CE2 4.12Å; H607-F615 HydrophobicContact CB-CZ 3.79Å
608	L	89.5	Confident	89.4	Confident	9 Å²	9	57.5 Å²	57.5	5%	0.047	30%	0.295	C	S	.	.	H	α-helix	trans	-75.9	-49.7	-175.1	-66	173.8	0	0	0	113.5	L604 Y605 E612 F615 E713 L714	L604-L608 HydrophobicContact CD1-CD1 3.93Å; L604-L608 HydrophobicContact CD1-CG 3.99Å; L604-L608 HydrophobicContact CD2-CD1 4.43Å; L604-L608 HydrophobicContact CG-CD1 3.84Å; L604-L608 HydrophobicContact CG-CG 4.3Å; L604-L608 WeakPolarHBondContact O-CG 3.25Å; L604-L608 PolarHBondContact O-N 3.19Å; Y605-L608 PolarHBondContact O-N 2.88Å; L608-E612 WeakPolarHBondContact O-CA 3.27Å; L608-F615 HydrophobicContact CD2-CD2 3.88Å; L608-F615 HydrophobicContact CD2-CE2 3.74Å; L608-F615 HydrophobicContact CG-CE2 4.3Å; L608-E713 HydrophobicContact CD1-CB 3.81Å; L608-L714 HydrophobicContact CD1-CD2 4.32Å
609	H	86.1	Confident	89.4	Confident	42 Å²	42	59.1 Å²	59.1	19%	0.194	31%	0.305	C	S	.	.	H	α-helix	trans	-110.1	3.9	-164.6	-48	-61.2	0	0	0	114.8	Y605 E713	Y605-H609 HydrophobicContact CD1-CB 4.42Å; Y605-H609 AromaticContact CD2-CD2 3.6Å; Y605-H609 HydrophobicContact CE1-CB 4.11Å; Y605-H609 AromaticContact CE2-CD2 3.74Å; Y605-H609 AromaticContact CG-CD2 3.89Å; Y605-H609 PolarHBondContact O-N 2.91Å; H609-E713 IonicContact CD2-OE1 2.6Å; H609-E713 IonicContact CE1-OE1 2.83Å; H609-E713 IonicContact NE2-OE1 3.93Å; H609-E713 PolarHBondContact NE2-OE1 3.13Å
610	V	85.2	Confident	89.5	Confident	90 Å²	90	58.3 Å²	58.3	55%	0.545	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.8	-35.6	179.5	-174.6	0	0	0	0	112.2	Y605 K606	Y605-V610 HydrophobicContact CD1-CG2 4.31Å; Y605-V610 HydrophobicContact CE1-CG2 4.18Å; K606-V610 HydrophobicContact CG-CB 4.05Å; K606-V610 HydrophobicContact CG-CG1 4.35Å; K606-V610 WeakPolarHBondContact O-CB 3.47Å; K606-V610 PolarHBondContact O-N 2.84Å
611	L	85.6	Confident	90	Very high	102 Å²	102	54.3 Å²	54.3	53%	0.534	28%	0.281	S	S	.	.	S	Bend	trans	-99.2	-5.8	172.7	-59.9	175.2	0	0	0	112.7	K606 H613	K606-L611 HydrophobicContact CG-CD1 4.35Å; K606-L611 HydrophobicContact CG-CG 4.29Å; K606-L611 WeakPolarHBondContact O-CB 3.45Å; K606-L611 WeakPolarHBondContact O-CG 3.44Å; K606-L611 PolarHBondContact O-N 2.65Å; L611-H613 PolarHBondContact O-N 2.95Å
612	E	87	Confident	90.6	Very high	76 Å²	76	52.9 Å²	52.9	36%	0.355	26%	0.26	S	S	.	.			trans	45.4	36.9	-175.9	-67.6	-172.8	-114.6	0	0	114	H607 L608 R614 S954	H607-E612 PolarHBondContact O-N 2.89Å; L608-E612 WeakPolarHBondContact O-CA 3.27Å; E612-R614 PolarHBondContact O-N 2.87Å; E612-R614 VanDerWaalsContact O-N 3.13Å; E612-S954 VanDerWaalsContact CD-CB 3.4Å; E612-S954 VanDerWaalsContact CD-OG 3.3Å; E612-S954 WeakPolarHBondContact OE1-CB 3.42Å; E612-S954 PolarHBondContact OE1-OG 3.36Å; E612-S954 WeakPolarHBondContact OE2-CB 3.46Å
613	H	86.8	Confident	91	Very high	80 Å²	80	52.1 Å²	52.1	37%	0.37	25%	0.254	S	S	.	.			trans	-74.2	106.7	-173.8	-178	80.5	0	0	0	111.1	H607 L611 F615	H607-H613 HydrophobicContact CB-CB 4.44Å; H607-H613 WeakPolarHBondContact O-CB 3.43Å; H607-H613 PolarHBondContact O-N 3.23Å; L611-H613 PolarHBondContact O-N 2.95Å; H613-F615 AromaticContact CD2-CD1 3.4Å; H613-F615 VanDerWaalsContact CD2-CD1 3.4Å; H613-F615 WeakPolarHBondContact CD2-CD1 3.3Å; H613-F615 AromaticContact CD2-CD2 3.99Å; H613-F615 AromaticContact CD2-CE1 3.37Å; H613-F615 WeakPolarHBondContact CD2-CE1 3.36Å; H613-F615 AromaticContact CD2-CE2 3.94Å; H613-F615 AromaticContact CD2-CG 3.73Å; H613-F615 AromaticContact CD2-CZ 3.65Å; H613-F615 AromaticContact NE2-CD1 3.5Å; H613-F615 WeakPolarHBondContact NE2-CD1 3.27Å; H613-F615 AromaticContact NE2-CE1 3.71Å; H613-F615 PolarHBondContact O-N 3.05Å; H613-F615 VanDerWaalsContact O-N 3.16Å
614	R	85.6	Confident	91.2	Very high	153 Å²	153	51 Å²	51	58%	0.577	25%	0.246	S	C	*	.			trans	-82	90.1	178.3	-65.2	179.2	-179	168.5	1.3	110.4	E612 P955	E612-R614 PolarHBondContact O-N 2.87Å; E612-R614 VanDerWaalsContact O-N 3.13Å; R614-P955 PolarHBondContact NH2-O 3.45Å
615	F	90.9	Very high	91.4	Very high	6 Å²	6	52.1 Å²	52.1	3%	0.026	25%	0.251	C	S	.	.			trans	-54.8	142.9	172.6	-62.8	-76.5	0	0	0	112.2	L604 H607 L608 H613 E619 L620 I623 L651 L714 R747	L604-F615 HydrophobicContact CD1-CE2 3.78Å; L604-F615 HydrophobicContact CD1-CZ 4.07Å; H607-F615 HydrophobicContact CB-CE2 4.12Å; H607-F615 HydrophobicContact CB-CZ 3.79Å; L608-F615 HydrophobicContact CD2-CD2 3.88Å; L608-F615 HydrophobicContact CD2-CE2 3.74Å; L608-F615 HydrophobicContact CG-CE2 4.3Å; H613-F615 AromaticContact CD2-CD1 3.4Å; H613-F615 VanDerWaalsContact CD2-CD1 3.4Å; H613-F615 WeakPolarHBondContact CD2-CD1 3.3Å; H613-F615 AromaticContact CD2-CD2 3.99Å; H613-F615 AromaticContact CD2-CE1 3.37Å; H613-F615 WeakPolarHBondContact CD2-CE1 3.36Å; H613-F615 AromaticContact CD2-CE2 3.94Å; H613-F615 AromaticContact CD2-CG 3.73Å; H613-F615 AromaticContact CD2-CZ 3.65Å; H613-F615 AromaticContact NE2-CD1 3.5Å; H613-F615 WeakPolarHBondContact NE2-CD1 3.27Å; H613-F615 AromaticContact NE2-CE1 3.71Å; H613-F615 PolarHBondContact O-N 3.05Å; H613-F615 VanDerWaalsContact O-N 3.16Å; F615-E619 HydrophobicContact CD1-CG 3.88Å; F615-L620 HydrophobicContact CB-CB 4.09Å; F615-I623 HydrophobicContact CD1-CD1 3.75Å; F615-I623 HydrophobicContact CD2-CD1 4.4Å; F615-I623 HydrophobicContact CE1-CD1 3.53Å; F615-I623 HydrophobicContact CE2-CD1 4.22Å; F615-I623 HydrophobicContact CG-CD1 4.18Å; F615-I623 HydrophobicContact CZ-CD1 3.79Å; F615-L651 HydrophobicContact CE1-CD1 3.92Å; F615-L651 HydrophobicContact CZ-CD1 3.56Å; F615-L714 HydrophobicContact CD2-CD2 4.46Å; F615-R747 PolarHBondContact O-NH1 2.87Å; F615-R747 PolarHBondContact O-NH2 2.94Å
616	D	91.4	Very high	91.6	Very high	111 Å²	111	49.2 Å²	49.2	59%	0.594	24%	0.24	S	C	*	.			trans	-70.7	150.9	167.7	-80.3	-27.9	0	0	0	110.8	P618 E619 L620	D616-P618 VanDerWaalsContact C-CD 3.46Å; D616-P618 VanDerWaalsContact C-N 3.34Å; D616-P618 VanDerWaalsContact O-N 3.17Å; D616-E619 PolarHBondContact O-N 3.05Å; D616-L620 WeakPolarHBondContact O-CB 3.34Å; D616-L620 PolarHBondContact O-N 2.93Å
617	V	92.2	Very high	92.1	Very high	20 Å²	20	44.3 Å²	44.3	12%	0.121	22%	0.219	C	C	.	.	H	α-helix	trans	-49.9	-42.8	-176.7	179.1	0	0	0	0	114	V621 D749 P751 L786	V617-V621 HydrophobicContact CG1-CG2 4.32Å; V617-V621 WeakPolarHBondContact O-CB 3.26Å; V617-V621 VanDerWaalsContact O-CG2 3.29Å; V617-V621 WeakPolarHBondContact O-CG2 3.38Å; V617-V621 PolarHBondContact O-N 3.3Å; V617-D749 HydrophobicContact CG2-CB 4.14Å; V617-D749 VanDerWaalsContact CG2-OD2 3.24Å; V617-D749 WeakPolarHBondContact CG2-OD2 3.3Å; V617-P751 HydrophobicContact CG1-CG 3.88Å; V617-L786 HydrophobicContact CG1-CD1 4.35Å; V617-L786 HydrophobicContact CG1-CD2 4.17Å
618	P	92.9	Very high	92.4	Very high	47 Å²	47	42.5 Å²	42.5	31%	0.305	21%	0.21	S	C	.	.	H	α-helix	trans	-65.8	-36.9	177.6	-21.3	35.2	0	0	0	113.8	D616 D622 Y783 L786	D616-P618 VanDerWaalsContact C-CD 3.46Å; D616-P618 VanDerWaalsContact C-N 3.34Å; D616-P618 VanDerWaalsContact O-N 3.17Å; P618-D622 WeakPolarHBondContact O-CB 3.07Å; P618-D622 PolarHBondContact O-N 2.66Å; P618-Y783 WeakPolarHBondContact O-CE2 3.43Å; P618-L786 HydrophobicContact CB-CD1 4.22Å; P618-L786 HydrophobicContact CG-CD1 4.41Å
619	E	93.9	Very high	92.8	Very high	81 Å²	81	44 Å²	44	38%	0.379	22%	0.217	S	C	.	.	H	α-helix	trans	-74.2	-41.9	178.7	-175.9	168.3	-149.3	0	0	111.1	F615 D616 V621 D622 I623	F615-E619 HydrophobicContact CD1-CG 3.88Å; D616-E619 PolarHBondContact O-N 3.05Å; E619-V621 PolarHBondContact O-N 3.38Å; E619-D622 PolarHBondContact O-N 2.97Å; E619-D622 VanDerWaalsContact O-N 3.15Å; E619-I623 HydrophobicContact CG-CD1 4.13Å; E619-I623 WeakPolarHBondContact O-CG1 3.36Å; E619-I623 PolarHBondContact O-N 3.32Å
620	L	94.8	Very high	93.4	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-56.4	-48.7	172.9	-170.4	172	0	0	0	111.3	F615 D616 D622 I623 A624 L714 I715 I750 L754	F615-L620 HydrophobicContact CB-CB 4.09Å; D616-L620 WeakPolarHBondContact O-CB 3.34Å; D616-L620 PolarHBondContact O-N 2.93Å; L620-D622 VanDerWaalsContact C-N 3.34Å; L620-D622 PolarHBondContact O-N 3.04Å; L620-I623 PolarHBondContact O-N 2.82Å; L620-A624 PolarHBondContact O-N 2.85Å; L620-L714 VanDerWaalsContact CD1-O 3.31Å; L620-L714 WeakPolarHBondContact CD1-O 3.28Å; L620-L714 HydrophobicContact CD2-CB 3.86Å; L620-L714 HydrophobicContact CG-CB 4.04Å; L620-L714 HydrophobicContact CG-CD2 4.32Å; L620-I715 HydrophobicContact CD2-CG2 4.13Å; L620-I750 HydrophobicContact CD1-CD1 3.46Å; L620-I750 VanDerWaalsContact CD1-CD1 3.46Å; L620-L754 HydrophobicContact CD2-CD2 3.5Å; L620-L754 VanDerWaalsContact CD2-CD2 3.5Å
621	V	95.3	Very high	94	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.5	-34.6	176.4	170.5	0	0	0	0	111.5	V617 E619 K625 L754 L782 Y783 L786	V617-V621 HydrophobicContact CG1-CG2 4.32Å; V617-V621 WeakPolarHBondContact O-CB 3.26Å; V617-V621 VanDerWaalsContact O-CG2 3.29Å; V617-V621 WeakPolarHBondContact O-CG2 3.38Å; V617-V621 PolarHBondContact O-N 3.3Å; E619-V621 PolarHBondContact O-N 3.38Å; V621-K625 WeakPolarHBondContact O-CB 3.47Å; V621-K625 PolarHBondContact O-N 3.07Å; V621-L754 HydrophobicContact CG2-CD2 4.11Å; V621-L782 HydrophobicContact CG1-CD2 4.18Å; V621-L782 HydrophobicContact CG1-CG 4.19Å; V621-L782 HydrophobicContact CG2-CD2 4.19Å; V621-Y783 HydrophobicContact CG1-CD2 4.15Å; V621-L786 HydrophobicContact CB-CD1 4.01Å; V621-L786 HydrophobicContact CG1-CD1 4.16Å; V621-L786 HydrophobicContact CG2-CD1 4.12Å
622	D	96.4	Very high	94.6	Very high	27 Å²	27	35 Å²	35	14%	0.144	17%	0.168	C	C	.	.	H	α-helix	trans	-68.6	-41.6	175.6	-159	66.6	0	0	0	112.4	P618 E619 L620 K625 Q626 Y783	P618-D622 WeakPolarHBondContact O-CB 3.07Å; P618-D622 PolarHBondContact O-N 2.66Å; E619-D622 PolarHBondContact O-N 2.97Å; E619-D622 VanDerWaalsContact O-N 3.15Å; L620-D622 VanDerWaalsContact C-N 3.34Å; L620-D622 PolarHBondContact O-N 3.04Å; D622-K625 PolarHBondContact O-N 2.83Å; D622-K625 WeakPolarHBondContact OD1-CE 3.42Å; D622-K625 IonicContact OD1-NZ 2.96Å; D622-K625 PolarHBondContact OD1-NZ 2.77Å; D622-Q626 WeakPolarHBondContact O-CB 3.49Å; D622-Q626 WeakPolarHBondContact O-CG 3.28Å; D622-Q626 PolarHBondContact O-N 2.82Å; D622-Q626 PolarHBondContact OD2-NE2 2.75Å; D622-Y783 HydrophobicContact CB-CD2 4.19Å; D622-Y783 HydrophobicContact CB-CE2 3.73Å; D622-Y783 WeakPolarHBondContact OD1-CE1 3.23Å; D622-Y783 VanDerWaalsContact OD1-CZ 3.25Å
623	I	97.3	Very high	95	Very high	7 Å²	7	33.6 Å²	33.6	4%	0.036	16%	0.16	C	C	.	.	H	α-helix	trans	-60.3	-46.5	173.4	-69	165.6	0	0	0	110.5	L604 F615 E619 L620 T627 L651 V656 L714	L604-I623 HydrophobicContact CD1-CG2 4.34Å; L604-I623 HydrophobicContact CD2-CG2 4.12Å; F615-I623 HydrophobicContact CD1-CD1 3.75Å; F615-I623 HydrophobicContact CD2-CD1 4.4Å; F615-I623 HydrophobicContact CE1-CD1 3.53Å; F615-I623 HydrophobicContact CE2-CD1 4.22Å; F615-I623 HydrophobicContact CG-CD1 4.18Å; F615-I623 HydrophobicContact CZ-CD1 3.79Å; E619-I623 HydrophobicContact CG-CD1 4.13Å; E619-I623 WeakPolarHBondContact O-CG1 3.36Å; E619-I623 PolarHBondContact O-N 3.32Å; L620-I623 PolarHBondContact O-N 2.82Å; I623-T627 WeakPolarHBondContact O-CB 3.49Å; I623-T627 PolarHBondContact O-N 3.29Å; I623-T627 PolarHBondContact O-OG1 2.7Å; I623-L651 HydrophobicContact CD1-CD1 4.01Å; I623-L651 HydrophobicContact CD1-CD2 4.19Å; I623-L651 HydrophobicContact CG1-CD2 4.08Å; I623-L651 HydrophobicContact CG2-CD2 4.26Å; I623-V656 HydrophobicContact CB-CG2 4.38Å; I623-V656 HydrophobicContact CG1-CG2 4.45Å; I623-V656 HydrophobicContact CG2-CG2 4.1Å; I623-L714 HydrophobicContact CG2-CD1 4.27Å; I623-L714 HydrophobicContact CG2-CD2 4.14Å
624	A	97.9	Very high	95.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.4	-49.7	175	0	0	0	0	0	111.1	L620 T627 S628 Y707 L714 L779	L620-A624 PolarHBondContact O-N 2.85Å; A624-T627 PolarHBondContact O-N 3.16Å; A624-S628 PolarHBondContact O-N 3.34Å; A624-Y707 PolarHBondContact O-OH 3.4Å; A624-L714 HydrophobicContact CB-CD1 4.19Å; A624-L779 HydrophobicContact CB-CD1 4.25Å
625	K	97.7	Very high	95.8	Very high	22 Å²	22	23.2 Å²	23.2	10%	0.096	12%	0.118	C	C	.	.	H	α-helix	trans	-57.8	-53.1	178.3	-173.8	-157.6	76.2	-166	0	111.9	V621 D622 T627 S628 Q629 Y776 L779 D780 Y783	V621-K625 WeakPolarHBondContact O-CB 3.47Å; V621-K625 PolarHBondContact O-N 3.07Å; D622-K625 PolarHBondContact O-N 2.83Å; D622-K625 WeakPolarHBondContact OD1-CE 3.42Å; D622-K625 IonicContact OD1-NZ 2.96Å; D622-K625 PolarHBondContact OD1-NZ 2.77Å; K625-T627 VanDerWaalsContact C-N 3.32Å; K625-T627 PolarHBondContact O-N 3.38Å; K625-S628 PolarHBondContact O-N 3.5Å; K625-S628 VanDerWaalsContact O-N 3.15Å; K625-S628 PolarHBondContact O-OG 2.93Å; K625-Q629 PolarHBondContact O-N 3.12Å; K625-Y776 HydrophobicContact CD-CE2 4.48Å; K625-Y776 HydrophobicContact CG-CD2 4.06Å; K625-Y776 HydrophobicContact CG-CE2 3.94Å; K625-L779 HydrophobicContact CB-CB 4Å; K625-L779 HydrophobicContact CG-CB 4.13Å; K625-D780 HydrophobicContact CD-CB 4.08Å; K625-D780 HydrophobicContact CG-CB 4.32Å; K625-Y783 HydrophobicContact CD-CD1 4.27Å; K625-Y783 HydrophobicContact CD-CG 4.36Å
626	Q	98.2	Very high	95.9	Very high	19 Å²	19	26.7 Å²	26.7	9%	0.089	15%	0.148	C	C	.	.	H	α-helix	trans	-60.3	-39.3	178.6	-74.3	-167	55.5	0	0	112.2	N579 D622 Q629 G630 R654 V656	N579-Q626 WeakPolarHBondContact CB-O 3.3Å; N579-Q626 PolarHBondContact ND2-OE1 2.77Å; N579-Q626 PolarHBondContact OD1-O 3.44Å; D622-Q626 WeakPolarHBondContact O-CB 3.49Å; D622-Q626 WeakPolarHBondContact O-CG 3.28Å; D622-Q626 PolarHBondContact O-N 2.82Å; D622-Q626 PolarHBondContact OD2-NE2 2.75Å; Q626-Q629 WeakPolarHBondContact O-CB 3.36Å; Q626-Q629 PolarHBondContact O-N 2.89Å; Q626-G630 PolarHBondContact O-N 2.64Å; Q626-G630 VanDerWaalsContact O-N 3.08Å; Q626-R654 PolarHBondContact NE2-O 2.86Å; Q626-V656 HydrophobicContact CB-CB 3.81Å; Q626-V656 HydrophobicContact CB-CG2 3.65Å; Q626-V656 HydrophobicContact CG-CG2 4.5Å
627	T	98.5	Very high	95.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.1	-47.1	173.7	-55.7	0	0	0	0	110.8	I623 A624 K625 Q629 G630 M631 I649 I658 Y707	I623-T627 WeakPolarHBondContact O-CB 3.49Å; I623-T627 PolarHBondContact O-N 3.29Å; I623-T627 PolarHBondContact O-OG1 2.7Å; A624-T627 PolarHBondContact O-N 3.16Å; K625-T627 VanDerWaalsContact C-N 3.32Å; K625-T627 PolarHBondContact O-N 3.38Å; T627-Q629 VanDerWaalsContact C-N 3.28Å; T627-Q629 PolarHBondContact O-N 3.35Å; T627-G630 PolarHBondContact O-N 2.83Å; T627-M631 PolarHBondContact O-N 2.97Å; T627-I649 HydrophobicContact CG2-CD1 3.79Å; T627-I649 HydrophobicContact CG2-CG1 4.45Å; T627-I658 HydrophobicContact CG2-CD1 4.13Å; T627-I658 WeakPolarHBondContact O-CD1 3.47Å; T627-Y707 HydrophobicContact CG2-CD2 3.86Å; T627-Y707 HydrophobicContact CG2-CE2 3.7Å
628	S	98.3	Very high	95.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63	-33	177.4	74	0	0	0	0	113.1	A624 K625 M631 D632 Y776	A624-S628 PolarHBondContact O-N 3.34Å; K625-S628 PolarHBondContact O-N 3.5Å; K625-S628 VanDerWaalsContact O-N 3.15Å; K625-S628 PolarHBondContact O-OG 2.93Å; S628-M631 PolarHBondContact O-N 2.88Å; S628-D632 WeakPolarHBondContact O-CB 3.46Å; S628-D632 PolarHBondContact O-N 2.94Å; S628-Y776 WeakPolarHBondContact OG-CA 3.32Å; S628-Y776 WeakPolarHBondContact OG-CB 3.18Å
629	Q	98	Very high	95.5	Very high	42 Å²	42	31 Å²	31	20%	0.196	16%	0.162	C	C	.	.	H	α-helix	trans	-67.3	-42.4	176.1	-164.8	-172.5	-46.1	0	0	111.8	H577 N579 K625 Q626 T627 Y633 Y776	H577-Q629 PolarHBondContact CE1-NE2 3.45Å; H577-Q629 PolarHBondContact NE2-NE2 3.35Å; H577-Q629 VanDerWaalsContact NE2-NE2 3.19Å; N579-Q629 PolarHBondContact OD1-NE2 2.82Å; K625-Q629 PolarHBondContact O-N 3.12Å; Q626-Q629 WeakPolarHBondContact O-CB 3.36Å; Q626-Q629 PolarHBondContact O-N 2.89Å; T627-Q629 VanDerWaalsContact C-N 3.28Å; T627-Q629 PolarHBondContact O-N 3.35Å; Q629-Y633 PolarHBondContact O-N 2.76Å; Q629-Y776 HydrophobicContact CB-CD2 3.65Å; Q629-Y776 HydrophobicContact CB-CE2 3.66Å; Q629-Y776 HydrophobicContact CB-CG 4.36Å; Q629-Y776 HydrophobicContact CG-CD2 4.03Å; Q629-Y776 HydrophobicContact CG-CE1 4.45Å; Q629-Y776 HydrophobicContact CG-CE2 3.65Å
630	G	97.4	Very high	95.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.8	-42	172.8	0	0	0	0	0	112.5	Q626 T627 Y633 L634	Q626-G630 PolarHBondContact O-N 2.64Å; Q626-G630 VanDerWaalsContact O-N 3.08Å; T627-G630 PolarHBondContact O-N 2.83Å; G630-Y633 WeakPolarHBondContact O-CB 3.39Å; G630-Y633 PolarHBondContact O-N 3.45Å; G630-L634 PolarHBondContact O-N 3.43Å; G630-L634 VanDerWaalsContact O-N 3.1Å
631	M	98	Very high	95.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-70.4	-39	178.5	-71.3	-56.5	-54.3	0	0	113.6	T627 S628 Y633 L634 H635 H641 L644 I658 D703 F772	T627-M631 PolarHBondContact O-N 2.97Å; S628-M631 PolarHBondContact O-N 2.88Å; M631-Y633 VanDerWaalsContact C-N 3.27Å; M631-Y633 PolarHBondContact O-N 3.25Å; M631-L634 PolarHBondContact O-N 3.04Å; M631-L634 HydrophobicContact SD-CD1 4.03Å; M631-H635 WeakPolarHBondContact CE-NE2 3.32Å; M631-H635 PolarHBondContact O-N 3.47Å; M631-H641 HydrophobicContact CE-CB 3.92Å; M631-H641 HydrophobicContact SD-CB 4.25Å; M631-L644 HydrophobicContact CE-CD2 4.15Å; M631-L644 HydrophobicContact CG-CD2 3.94Å; M631-L644 HydrophobicContact SD-CD1 4.06Å; M631-L644 HydrophobicContact SD-CD2 3.87Å; M631-L644 HydrophobicContact SD-CG 4.49Å; M631-I658 HydrophobicContact CG-CD1 3.85Å; M631-I658 HydrophobicContact SD-CD1 4Å; M631-D703 HydrophobicContact CE-CB 3.81Å; M631-D703 WeakPolarHBondContact CE-OD2 3.34Å; M631-F772 HydrophobicContact CB-CD1 3.53Å; M631-F772 HydrophobicContact CB-CD2 3.79Å; M631-F772 HydrophobicContact CB-CE1 3.42Å; M631-F772 VanDerWaalsContact CB-CE1 3.42Å; M631-F772 HydrophobicContact CB-CE2 3.67Å; M631-F772 HydrophobicContact CB-CG 3.71Å; M631-F772 HydrophobicContact CB-CZ 3.47Å; M631-F772 VanDerWaalsContact CB-CZ 3.47Å; M631-F772 HydrophobicContact CE-CE2 4.03Å; M631-F772 HydrophobicContact CE-CZ 4.33Å; M631-F772 HydrophobicContact CG-CD1 4.47Å; M631-F772 HydrophobicContact CG-CE1 3.88Å; M631-F772 HydrophobicContact CG-CE2 4.19Å; M631-F772 HydrophobicContact CG-CZ 3.7Å
632	D	97.4	Very high	94.8	Very high	45 Å²	45	32.5 Å²	32.5	24%	0.241	17%	0.167	C	C	.	.	H	α-helix	trans	-59.4	-41	172.8	-164.7	38.6	0	0	0	111	S628 H635 A636 F772 S773	S628-D632 WeakPolarHBondContact O-CB 3.46Å; S628-D632 PolarHBondContact O-N 2.94Å; D632-H635 PolarHBondContact O-N 3.28Å; D632-A636 WeakPolarHBondContact O-CB 3.29Å; D632-A636 PolarHBondContact O-N 3.02Å; D632-F772 HydrophobicContact CB-CB 3.86Å; D632-S773 WeakPolarHBondContact OD1-CA 3.35Å; D632-S773 VanDerWaalsContact OD1-CB 3.29Å; D632-S773 WeakPolarHBondContact OD1-CB 3Å; D632-S773 PolarHBondContact OD1-N 2.84Å
633	Y	96.3	Very high	94.4	Very high	46 Å²	46	32.2 Å²	32.2	18%	0.18	17%	0.165	C	C	.	.	H	α-helix	trans	-60.5	-45.8	173.5	175.5	-86.6	0	0	0	112.9	K574 T575 R576 H577 I580 Q629 G630 M631 A636 K637	K574-Y633 PolarHBondContact O-OH 3.18Å; T575-Y633 HydrophobicContact CG2-CE1 4.37Å; R576-Y633 PolarHBondContact N-OH 3.19Å; R576-Y633 WeakPolarHBondContact O-CE2 3.32Å; R576-Y633 PolarHBondContact O-OH 3.49Å; H577-Y633 HydrophobicContact CB-CD1 3.73Å; H577-Y633 HydrophobicContact CB-CD2 3.72Å; H577-Y633 HydrophobicContact CB-CE1 3.9Å; H577-Y633 HydrophobicContact CB-CE2 3.85Å; H577-Y633 HydrophobicContact CB-CG 3.65Å; H577-Y633 AromaticContact CD2-CD2 3.84Å; H577-Y633 AromaticContact CG-CD2 3.87Å; H577-Y633 AromaticContact CG-CG 3.76Å; I580-Y633 HydrophobicContact CG1-CD1 4.07Å; Q629-Y633 PolarHBondContact O-N 2.76Å; G630-Y633 WeakPolarHBondContact O-CB 3.39Å; G630-Y633 PolarHBondContact O-N 3.45Å; M631-Y633 VanDerWaalsContact C-N 3.27Å; M631-Y633 PolarHBondContact O-N 3.25Å; Y633-A636 PolarHBondContact O-N 3.4Å; Y633-K637 HydrophobicContact CE1-CG 4.14Å; Y633-K637 WeakPolarHBondContact O-CG 3.43Å; Y633-K637 PolarHBondContact O-N 3.41Å
634	L	94.3	Very high	94.2	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.3	-44.9	178	-70.8	178.2	0	0	0	111.5	T575 I580 G630 M631 A636 K637 N638 I639 F661	T575-L634 HydrophobicContact CG2-CD2 3.9Å; I580-L634 HydrophobicContact CD1-CD1 3.82Å; I580-L634 HydrophobicContact CD1-CD2 4.11Å; I580-L634 HydrophobicContact CD1-CG 3.76Å; I580-L634 HydrophobicContact CG1-CD2 4.45Å; I580-L634 HydrophobicContact CG1-CG 4.48Å; G630-L634 PolarHBondContact O-N 3.43Å; G630-L634 VanDerWaalsContact O-N 3.1Å; M631-L634 PolarHBondContact O-N 3.04Å; M631-L634 HydrophobicContact SD-CD1 4.03Å; L634-A636 PolarHBondContact O-N 3.27Å; L634-K637 CarbonylContact O-C 3.58Å; L634-K637 WeakPolarHBondContact O-CA 3.33Å; L634-K637 WeakPolarHBondContact O-CB 3.4Å; L634-K637 PolarHBondContact O-N 3.1Å; L634-N638 PolarHBondContact O-N 2.99Å; L634-I639 CarbonylContact C-O 3.57Å; L634-I639 HydrophobicContact CB-CB 4.23Å; L634-I639 HydrophobicContact CD2-CB 4.25Å; L634-I639 HydrophobicContact CD2-CD1 4.06Å; L634-I639 HydrophobicContact CD2-CG2 4.17Å; L634-I639 WeakPolarHBondContact O-CB 3.35Å; L634-I639 PolarHBondContact O-N 3.33Å; L634-F661 HydrophobicContact CD1-CB 4.3Å; L634-F661 HydrophobicContact CD1-CD1 4.48Å; L634-F661 HydrophobicContact CD1-CD2 4.37Å; L634-F661 HydrophobicContact CD1-CG 4.14Å; L634-F661 HydrophobicContact CD2-CD2 4.03Å; L634-F661 HydrophobicContact CD2-CE2 3.97Å; L634-F661 HydrophobicContact CD2-CZ 4.47Å
635	H	94.1	Very high	94	Very high	14 Å²	14	32.7 Å²	32.7	7%	0.065	17%	0.167	C	C	.	.	H	α-helix	trans	-66.9	-37	179.1	-73.4	-168.6	0	0	0	112.1	M631 D632 K637 N638 I639 N700 D703 F772	M631-H635 WeakPolarHBondContact CE-NE2 3.32Å; M631-H635 PolarHBondContact O-N 3.47Å; D632-H635 PolarHBondContact O-N 3.28Å; H635-K637 PolarHBondContact O-N 3.33Å; H635-N638 WeakPolarHBondContact O-CA 3.45Å; H635-N638 PolarHBondContact O-N 3.23Å; H635-I639 PolarHBondContact CD2-O 3.48Å; H635-N700 VanDerWaalsContact CE1-CA 3.5Å; H635-N700 WeakPolarHBondContact CE1-CA 3.39Å; H635-N700 PolarHBondContact CE1-O 2.9Å; H635-D703 IonicContact CD2-OD2 3.73Å; H635-D703 IonicContact CE1-OD2 2.67Å; H635-D703 IonicContact NE2-OD2 3.64Å; H635-D703 PolarHBondContact NE2-OD2 2.77Å; H635-F772 AromaticContact CE1-CD2 3.47Å; H635-F772 VanDerWaalsContact CE1-CD2 3.47Å; H635-F772 WeakPolarHBondContact CE1-CD2 3.26Å; H635-F772 AromaticContact CE1-CE2 3.61Å; H635-F772 AromaticContact ND1-CD2 3.47Å; H635-F772 WeakPolarHBondContact ND1-CD2 3.28Å
636	A	93.8	Very high	93.8	Very high	79 Å²	79	31.7 Å²	31.7	65%	0.653	16%	0.163	S	C	*	.	H	α-helix	trans	-66.1	-15.6	171	0	0	0	0	0	113.8	D632 Y633 L634	D632-A636 WeakPolarHBondContact O-CB 3.29Å; D632-A636 PolarHBondContact O-N 3.02Å; Y633-A636 PolarHBondContact O-N 3.4Å; L634-A636 PolarHBondContact O-N 3.27Å
637	K	90.8	Very high	93.4	Very high	109 Å²	109	32.5 Å²	32.5	47%	0.474	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	3.9	168.6	-65.7	-63.2	-174.3	-173.7	0	113.5	Y633 L634 H635 I639	Y633-K637 HydrophobicContact CE1-CG 4.14Å; Y633-K637 WeakPolarHBondContact O-CG 3.43Å; Y633-K637 PolarHBondContact O-N 3.41Å; L634-K637 CarbonylContact O-C 3.58Å; L634-K637 WeakPolarHBondContact O-CA 3.33Å; L634-K637 WeakPolarHBondContact O-CB 3.4Å; L634-K637 PolarHBondContact O-N 3.1Å; H635-K637 PolarHBondContact O-N 3.33Å; K637-I639 VanDerWaalsContact C-N 3.29Å; K637-I639 HydrophobicContact CB-CD1 3.72Å; K637-I639 HydrophobicContact CB-CG1 3.87Å
638	N	89.2	Confident	93.2	Very high	144 Å²	144	33.1 Å²	33.1	77%	0.77	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	35.9	-170.7	-55.5	-60	0	0	0	113.6	L634 H635	L634-N638 PolarHBondContact O-N 2.99Å; H635-N638 WeakPolarHBondContact O-CA 3.45Å; H635-N638 PolarHBondContact O-N 3.23Å
639	I	88.7	Confident	93.1	Very high	16 Å²	16	33.1 Å²	33.1	8%	0.082	17%	0.174	C	C	.	.			trans	-105.8	113.2	177.4	-55	171.6	0	0	0	108.9	V571 T575 L634 H635 K637 F661	V571-I639 HydrophobicContact CG1-CD1 3.62Å; V571-I639 HydrophobicContact CG1-CG1 3.77Å; V571-I639 HydrophobicContact CG1-CG2 4Å; T575-I639 HydrophobicContact CG2-CD1 3.54Å; L634-I639 CarbonylContact C-O 3.57Å; L634-I639 HydrophobicContact CB-CB 4.23Å; L634-I639 HydrophobicContact CD2-CB 4.25Å; L634-I639 HydrophobicContact CD2-CD1 4.06Å; L634-I639 HydrophobicContact CD2-CG2 4.17Å; L634-I639 WeakPolarHBondContact O-CB 3.35Å; L634-I639 PolarHBondContact O-N 3.33Å; H635-I639 PolarHBondContact CD2-O 3.48Å; K637-I639 VanDerWaalsContact C-N 3.29Å; K637-I639 HydrophobicContact CB-CD1 3.72Å; K637-I639 HydrophobicContact CB-CG1 3.87Å; I639-F661 HydrophobicContact CG2-CD2 4.26Å
640	I	89.2	Confident	93	Very high	38 Å²	38	33.9 Å²	33.9	20%	0.195	18%	0.177	C	C	.	.			trans	-86.6	130.5	171.1	-50.4	164.3	0	0	0	108	R642 T699 N700 D703	I640-R642 HydrophobicContact CB-CG 3.97Å; I640-R642 HydrophobicContact CG2-CG 3.5Å; I640-T699 WeakPolarHBondContact CG2-O 3.35Å; I640-N700 WeakPolarHBondContact CG1-OD1 3.49Å; I640-D703 WeakPolarHBondContact CA-OD2 3.47Å; I640-D703 WeakPolarHBondContact CG2-OD2 3.46Å
641	H	90.9	Very high	92.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.182	C	C	.	.			trans	-74.5	-43.6	-178.3	-174.3	-24.7	0	0	0	112.2	M631 D643 L644 I658 G659 F661 D703	M631-H641 HydrophobicContact CE-CB 3.92Å; M631-H641 HydrophobicContact SD-CB 4.25Å; H641-D643 PolarHBondContact CE1-O 2.94Å; H641-D643 PolarHBondContact O-N 2.84Å; H641-L644 HydrophobicContact CB-CB 4.39Å; H641-I658 WeakPolarHBondContact NE2-CG2 3.42Å; H641-G659 PolarHBondContact CE1-O 2.85Å; H641-G659 VanDerWaalsContact CE1-O 3.31Å; H641-G659 PolarHBondContact NE2-O 3.42Å; H641-F661 HydrophobicContact CB-CB 4.15Å; H641-F661 WeakPolarHBondContact ND1-CA 3.47Å; H641-D703 PolarHBondContact N-OD1 3.09Å; H641-D703 PolarHBondContact N-OD2 3.04Å
642	R	88.4	Confident	92.5	Very high	74 Å²	74	36.3 Å²	36.3	28%	0.279	19%	0.189	S	C	.	.	S	Bend	trans	63.4	-0.1	175.2	-50.8	177.3	173.9	-153	-0	116.8	I640 A664 Y698 D703	I640-R642 HydrophobicContact CB-CG 3.97Å; I640-R642 HydrophobicContact CG2-CG 3.5Å; R642-A664 HydrophobicContact CB-CB 3.35Å; R642-A664 HydrophobicContact CG-CB 4.1Å; R642-Y698 HydrophobicContact CB-CD1 3.62Å; R642-Y698 HydrophobicContact CB-CE1 4.01Å; R642-Y698 HydrophobicContact CB-CG 4.41Å; R642-Y698 HydrophobicContact CG-CD1 3.83Å; R642-Y698 HydrophobicContact CG-CG 4.2Å; R642-D703 PolarHBondContact N-OD1 2.91Å
643	D	87.2	Confident	92.1	Very high	21 Å²	21	40 Å²	40	11%	0.112	21%	0.208	C	C	.	.			trans	-151.1	34.4	178.7	-166.5	59.5	0	0	0	110	H641 K645 N648 K667	H641-D643 PolarHBondContact CE1-O 2.94Å; H641-D643 PolarHBondContact O-N 2.84Å; D643-K645 PolarHBondContact O-N 2.86Å; D643-K645 IonicContact OD1-NZ 3.13Å; D643-K645 PolarHBondContact OD1-NZ 3.14Å; D643-K645 WeakPolarHBondContact OD2-CE 3.41Å; D643-K645 IonicContact OD2-NZ 3.17Å; D643-K645 PolarHBondContact OD2-NZ 3.31Å; D643-N648 PolarHBondContact O-ND2 3.12Å; D643-N648 PolarHBondContact OD2-ND2 3.22Å; D643-K667 IonicContact OD1-NZ 2.64Å; D643-K667 PolarHBondContact OD1-NZ 2.98Å; D643-K667 IonicContact OD2-NZ 2.75Å; D643-K667 PolarHBondContact OD2-NZ 2.96Å
644	L	93.9	Very high	91.6	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	24%	0.237	C	C	.	.			trans	-69.5	128.1	176.7	179.8	64.6	0	0	0	109.1	M631 H641 I649 I658 A706 Y707 F772	M631-L644 HydrophobicContact CE-CD2 4.15Å; M631-L644 HydrophobicContact CG-CD2 3.94Å; M631-L644 HydrophobicContact SD-CD1 4.06Å; M631-L644 HydrophobicContact SD-CD2 3.87Å; M631-L644 HydrophobicContact SD-CG 4.49Å; H641-L644 HydrophobicContact CB-CB 4.39Å; L644-I649 HydrophobicContact CD1-CD1 3.99Å; L644-I649 HydrophobicContact CD1-CG1 4.11Å; L644-I658 HydrophobicContact CD1-CG2 4.3Å; L644-A706 HydrophobicContact CB-CB 4.15Å; L644-A706 WeakPolarHBondContact O-CB 3.42Å; L644-Y707 HydrophobicContact CD2-CD2 4.44Å; L644-F772 HydrophobicContact CD2-CZ 4.47Å
645	K	93.4	Very high	91.7	Very high	16 Å²	16	49.2 Å²	49.2	7%	0.07	25%	0.246	C	C	.	.	S	Bend	trans	-171.5	161.3	-179.1	57.4	-164	177.3	-159.4	0	109.8	D643 S647 N648 I649 S681 W684	D643-K645 PolarHBondContact O-N 2.86Å; D643-K645 IonicContact OD1-NZ 3.13Å; D643-K645 PolarHBondContact OD1-NZ 3.14Å; D643-K645 WeakPolarHBondContact OD2-CE 3.41Å; D643-K645 IonicContact OD2-NZ 3.17Å; D643-K645 PolarHBondContact OD2-NZ 3.31Å; K645-S647 WeakPolarHBondContact CE-OG 3.34Å; K645-S647 WeakPolarHBondContact CG-OG 3.37Å; K645-S647 PolarHBondContact O-N 3.18Å; K645-N648 WeakPolarHBondContact CE-ND2 3.31Å; K645-N648 WeakPolarHBondContact CE-OD1 3.36Å; K645-N648 HydrophobicContact CG-CB 4.29Å; K645-N648 PolarHBondContact O-N 3.13Å; K645-I649 WeakPolarHBondContact O-CG1 3.46Å; K645-I649 PolarHBondContact O-N 3.4Å; K645-S681 WeakPolarHBondContact CD-OG 3.45Å; K645-S681 PolarHBondContact NZ-OG 3.38Å; K645-W684 HydrophobicContact CB-CB 4.47Å; K645-W684 HydrophobicContact CB-CD2 3.54Å; K645-W684 HydrophobicContact CB-CE3 4.13Å; K645-W684 HydrophobicContact CB-CG 3.69Å; K645-W684 HydrophobicContact CB-CZ2 4.12Å; K645-W684 HydrophobicContact CD-CE3 4.47Å
646	S	93.8	Very high	91.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-21.9	-178.8	60.9	0	0	0	0	114.7	L604 Y605 N648 E713	L604-S646 WeakPolarHBondContact CB-O 3.36Å; L604-S646 PolarHBondContact N-O 3.44Å; L604-S646 VanDerWaalsContact N-O 3.17Å; Y605-S646 WeakPolarHBondContact CB-OG 3.27Å; Y605-S646 WeakPolarHBondContact CD2-OG 3.34Å; Y605-S646 PolarHBondContact N-O 2.99Å; S646-N648 VanDerWaalsContact C-N 3.32Å; S646-E713 WeakPolarHBondContact CB-OE1 3.4Å; S646-E713 WeakPolarHBondContact CB-OE2 3.24Å; S646-E713 PolarHBondContact OG-OE1 3.04Å; S646-E713 PolarHBondContact OG-OE2 3.06Å
647	S	90.8	Very high	92	Very high	37 Å²	37	46 Å²	46	26%	0.259	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-24.2	174.7	74.5	0	0	0	0	113.7	S603 K645	S603-S647 WeakPolarHBondContact CB-O 3.33Å; K645-S647 WeakPolarHBondContact CE-OG 3.34Å; K645-S647 WeakPolarHBondContact CG-OG 3.37Å; K645-S647 PolarHBondContact O-N 3.18Å
648	N	92.8	Very high	92.2	Very high	12 Å²	12	40.8 Å²	40.8	6%	0.064	20%	0.195	C	C	.	.	S	Bend	trans	-100.9	-0.6	-176.3	-65.2	5	0	0	0	112.1	D643 K645 S646 G659 D660	D643-N648 PolarHBondContact O-ND2 3.12Å; D643-N648 PolarHBondContact OD2-ND2 3.22Å; K645-N648 WeakPolarHBondContact CE-ND2 3.31Å; K645-N648 WeakPolarHBondContact CE-OD1 3.36Å; K645-N648 HydrophobicContact CG-CB 4.29Å; K645-N648 PolarHBondContact O-N 3.13Å; S646-N648 VanDerWaalsContact C-N 3.32Å; N648-G659 PolarHBondContact O-N 2.94Å; N648-D660 HydrophobicContact CB-CB 4.41Å
649	I	96.2	Very high	92.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	114.2	174.9	-63	169.5	0	0	0	106.6	S603 L604 T627 L644 K645 V656 V710	S603-I649 CarbonylContact C-O 3.46Å; S603-I649 WeakPolarHBondContact CA-O 3.49Å; L604-I649 HydrophobicContact CB-CB 4.22Å; L604-I649 HydrophobicContact CB-CG2 4.13Å; L604-I649 HydrophobicContact CD2-CD1 4.5Å; L604-I649 HydrophobicContact CD2-CG2 4.16Å; L604-I649 PolarHBondContact N-O 3.18Å; T627-I649 HydrophobicContact CG2-CD1 3.79Å; T627-I649 HydrophobicContact CG2-CG1 4.45Å; L644-I649 HydrophobicContact CD1-CD1 3.99Å; L644-I649 HydrophobicContact CD1-CG1 4.11Å; K645-I649 WeakPolarHBondContact O-CG1 3.46Å; K645-I649 PolarHBondContact O-N 3.4Å; I649-V656 HydrophobicContact CG2-CG1 3.62Å; I649-V710 HydrophobicContact CD1-CB 4.46Å; I649-V710 HydrophobicContact CD1-CG1 3.71Å; I649-V710 HydrophobicContact CD1-CG2 3.97Å
650	F	95.6	Very high	91.8	Very high	59 Å²	59	35.7 Å²	35.7	26%	0.259	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	140.6	-179.9	-59.4	-92.8	0	0	0	110.8	V656 K657	F650-V656 CarbonylContact O-C 3.53Å; F650-V656 WeakPolarHBondContact O-CA 3.21Å; F650-K657 HydrophobicContact CB-CB 4.3Å; F650-K657 PolarHBondContact N-O 3.32Å; F650-K657 PolarHBondContact O-N 3.36Å
651	L	94.9	Very high	90.9	Very high	21 Å²	21	34.2 Å²	34.2	11%	0.11	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.7	171	-56.5	-175.8	0	0	0	108.4	G601 S602 L604 F615 I623 V656	G601-L651 WeakPolarHBondContact CA-O 3.36Å; S602-L651 PolarHBondContact N-O 3.49Å; S602-L651 PolarHBondContact O-N 3.04Å; L604-L651 HydrophobicContact CD1-CD1 4.2Å; F615-L651 HydrophobicContact CE1-CD1 3.92Å; F615-L651 HydrophobicContact CZ-CD1 3.56Å; I623-L651 HydrophobicContact CD1-CD1 4.01Å; I623-L651 HydrophobicContact CD1-CD2 4.19Å; I623-L651 HydrophobicContact CG1-CD2 4.08Å; I623-L651 HydrophobicContact CG2-CD2 4.26Å; L651-V656 HydrophobicContact CD2-CG2 3.92Å
652	H	91.4	Very high	89.5	Confident	30 Å²	30	34.8 Å²	34.8	14%	0.139	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	111.8	-175.7	172.4	35.2	0	0	0	109.4	C599 E600 R654 T655 K657	C599-H652 HydrophobicContact CB-CB 4.01Å; E600-H652 PolarHBondContact N-ND1 2.8Å; E600-H652 PolarHBondContact O-ND1 2.83Å; H652-R654 PolarHBondContact O-N 2.83Å; H652-T655 PolarHBondContact N-O 2.88Å; H652-T655 WeakPolarHBondContact O-CA 3.3Å; H652-T655 WeakPolarHBondContact O-CB 3.29Å; H652-T655 PolarHBondContact O-N 2.82Å; H652-T655 PolarHBondContact O-OG1 3.42Å; H652-K657 HydrophobicContact CB-CG 4.31Å
653	D	87.8	Confident	88	Confident	121 Å²	121	31.5 Å²	31.5	65%	0.647	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	34.9	-177.8	-59.4	-31.3	0	0	0	114.9	T655	D653-T655 PolarHBondContact O-N 2.87Å
654	R	87	Confident	86.3	Confident	209 Å²	209	31 Å²	31	79%	0.789	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.5	7.1	-171.4	-52.3	169	-65.8	-173	-0.3	115.3	Q626 H652	Q626-R654 PolarHBondContact NE2-O 2.86Å; H652-R654 PolarHBondContact O-N 2.83Å
655	T	95.4	Very high	84.2	Confident	32 Å²	32	32.9 Å²	32.9	20%	0.196	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	137.6	165.5	72.3	0	0	0	0	110.5	H652 D653 K657	H652-T655 PolarHBondContact N-O 2.88Å; H652-T655 WeakPolarHBondContact O-CA 3.3Å; H652-T655 WeakPolarHBondContact O-CB 3.29Å; H652-T655 PolarHBondContact O-N 2.82Å; H652-T655 PolarHBondContact O-OG1 3.42Å; D653-T655 PolarHBondContact O-N 2.87Å; T655-K657 WeakPolarHBondContact OG1-CE 3.36Å
656	V	97.5	Very high	82	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	138.3	167.4	174.3	0	0	0	0	109.2	N579 I623 Q626 I649 F650 L651 I658	N579-V656 WeakPolarHBondContact CA-O 3.38Å; N579-V656 PolarHBondContact ND2-O 2.84Å; N579-V656 VanDerWaalsContact ND2-O 3.1Å; I623-V656 HydrophobicContact CB-CG2 4.38Å; I623-V656 HydrophobicContact CG1-CG2 4.45Å; I623-V656 HydrophobicContact CG2-CG2 4.1Å; Q626-V656 HydrophobicContact CB-CB 3.81Å; Q626-V656 HydrophobicContact CB-CG2 3.65Å; Q626-V656 HydrophobicContact CG-CG2 4.5Å; I649-V656 HydrophobicContact CG2-CG1 3.62Å; F650-V656 CarbonylContact O-C 3.53Å; F650-V656 WeakPolarHBondContact O-CA 3.21Å; L651-V656 HydrophobicContact CD2-CG2 3.92Å; V656-I658 HydrophobicContact CG1-CG1 4.36Å
657	K	96.1	Very high	79.9	Confident	24 Å²	24	33.7 Å²	33.7	10%	0.104	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	113.2	172.1	-60	-68.8	179.9	173.2	0	110.1	E578 L581 F650 H652 T655	E578-K657 WeakPolarHBondContact O-CD 3.4Å; E578-K657 WeakPolarHBondContact O-CE 3.15Å; E578-K657 PolarHBondContact O-NZ 2.88Å; L581-K657 HydrophobicContact CD1-CB 4.22Å; F650-K657 HydrophobicContact CB-CB 4.3Å; F650-K657 PolarHBondContact N-O 3.32Å; F650-K657 PolarHBondContact O-N 3.36Å; H652-K657 HydrophobicContact CB-CG 4.31Å; T655-K657 WeakPolarHBondContact OG1-CE 3.36Å
658	I	95.1	Very high	77.7	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	122.7	175.1	-54.3	176.6	0	0	0	109.3	N579 I580 L581 T627 M631 H641 L644 V656	N579-I658 PolarHBondContact O-N 3.45Å; I580-I658 HydrophobicContact CD1-CB 4.01Å; I580-I658 HydrophobicContact CD1-CD1 4.33Å; L581-I658 VanDerWaalsContact CB-O 3.28Å; L581-I658 WeakPolarHBondContact CB-O 3.47Å; L581-I658 PolarHBondContact N-O 3.02Å; T627-I658 HydrophobicContact CG2-CD1 4.13Å; T627-I658 WeakPolarHBondContact O-CD1 3.47Å; M631-I658 HydrophobicContact CG-CD1 3.85Å; M631-I658 HydrophobicContact SD-CD1 4Å; H641-I658 WeakPolarHBondContact NE2-CG2 3.42Å; L644-I658 HydrophobicContact CD1-CG2 4.3Å; V656-I658 HydrophobicContact CG1-CG1 4.36Å
659	G	89.2	Confident	75.3	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.198	C	C	.	.			trans	-117.5	-176.9	177.5	0	0	0	0	0	113.3	H641 N648 F661	H641-G659 PolarHBondContact CE1-O 2.85Å; H641-G659 VanDerWaalsContact CE1-O 3.31Å; H641-G659 PolarHBondContact NE2-O 3.42Å; N648-G659 PolarHBondContact O-N 2.94Å; G659-F661 PolarHBondContact O-N 2.96Å
660	D	80.5	Confident	72.8	Confident	53 Å²	53	43.5 Å²	43.5	28%	0.283	21%	0.205	S	C	.	.	S	Bend	trans	55.8	14.7	174.2	-88.7	30.6	0	0	0	117.5	K550 N648 L663	K550-D660 IonicContact NZ-OD1 3.33Å; K550-D660 PolarHBondContact NZ-OD1 3.24Å; K550-D660 IonicContact NZ-OD2 3.71Å; K550-D660 PolarHBondContact NZ-OD2 2.77Å; N648-D660 HydrophobicContact CB-CB 4.41Å; D660-L663 HydrophobicContact CB-CD1 4.19Å
661	F	71.8	Confident	69.9	Low	8 Å²	8	44.1 Å²	44.1	4%	0.035	21%	0.206	C	C	.	.			trans	-72.5	154.5	169.7	62.3	-86.3	0	0	0	112.1	L572 T575 I580 L634 I639 H641 G659 L663	L572-F661 HydrophobicContact CD2-CD2 3.99Å; L572-F661 HydrophobicContact CD2-CE2 3.44Å; L572-F661 VanDerWaalsContact CD2-CE2 3.44Å; L572-F661 HydrophobicContact CD2-CZ 3.78Å; T575-F661 HydrophobicContact CG2-CE2 3.79Å; T575-F661 HydrophobicContact CG2-CZ 4.18Å; I580-F661 HydrophobicContact CG2-CE1 3.52Å; I580-F661 HydrophobicContact CG2-CZ 3.47Å; I580-F661 VanDerWaalsContact CG2-CZ 3.47Å; L634-F661 HydrophobicContact CD1-CB 4.3Å; L634-F661 HydrophobicContact CD1-CD1 4.48Å; L634-F661 HydrophobicContact CD1-CD2 4.37Å; L634-F661 HydrophobicContact CD1-CG 4.14Å; L634-F661 HydrophobicContact CD2-CD2 4.03Å; L634-F661 HydrophobicContact CD2-CE2 3.97Å; L634-F661 HydrophobicContact CD2-CZ 4.47Å; I639-F661 HydrophobicContact CG2-CD2 4.26Å; H641-F661 HydrophobicContact CB-CB 4.15Å; H641-F661 WeakPolarHBondContact ND1-CA 3.47Å; G659-F661 PolarHBondContact O-N 2.96Å; F661-L663 PolarHBondContact O-N 3.44Å; F661-L663 VanDerWaalsContact O-N 3.15Å
662	G	59.7	Low	67.1	Low	11 Å²	11	50 Å²	50	11%	0.113	24%	0.238	C	C	.	.	S	Bend	trans	84.9	-41.1	-178	0	0	0	0	0	114.4	A664 T665	G662-A664 PolarHBondContact O-N 2.9Å; G662-T665 PolarHBondContact O-N 3.18Å; G662-T665 PolarHBondContact O-OG1 3.38Å
663	L	58.7	Low	64.2	Low	6 Å²	6	53.5 Å²	53.5	3%	0.031	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-25.8	-176.1	-75.6	170.1	0	0	0	114.2	E568 I594 D660 F661 T665 V666 K667	E568-L663 WeakPolarHBondContact OE1-CA 2.93Å; E568-L663 WeakPolarHBondContact OE1-CD2 3.43Å; E568-L663 WeakPolarHBondContact OE1-CG 3.31Å; E568-L663 PolarHBondContact OE1-N 3.5Å; E568-L663 WeakPolarHBondContact OE2-CA 3.49Å; I594-L663 HydrophobicContact CD1-CD2 4.39Å; D660-L663 HydrophobicContact CB-CD1 4.19Å; F661-L663 PolarHBondContact O-N 3.44Å; F661-L663 VanDerWaalsContact O-N 3.15Å; L663-T665 PolarHBondContact O-N 3.34Å; L663-T665 VanDerWaalsContact O-N 3.16Å; L663-V666 HydrophobicContact CD2-CG1 4.1Å; L663-V666 CarbonylContact O-C 3.51Å; L663-V666 VanDerWaalsContact O-CA 3.27Å; L663-V666 WeakPolarHBondContact O-CA 3.16Å; L663-V666 WeakPolarHBondContact O-CB 3.47Å; L663-V666 VanDerWaalsContact O-CG1 3.29Å; L663-V666 WeakPolarHBondContact O-CG1 3.46Å; L663-V666 PolarHBondContact O-N 3.2Å; L663-K667 WeakPolarHBondContact O-CG 3.03Å; L663-K667 PolarHBondContact O-N 3.28Å
664	A	51.1	Low	61.6	Low	9 Å²	9	51.4 Å²	51.4	7%	0.074	27%	0.268	C	S	.	.	H	α-helix	trans	-55.6	-30	178.4	0	0	0	0	0	115.2	R642 G662 V666 K667 S668	R642-A664 HydrophobicContact CB-CB 3.35Å; R642-A664 HydrophobicContact CG-CB 4.1Å; G662-A664 PolarHBondContact O-N 2.9Å; A664-V666 VanDerWaalsContact C-N 3.26Å; A664-V666 PolarHBondContact O-N 3.29Å; A664-K667 PolarHBondContact O-N 2.94Å; A664-S668 PolarHBondContact O-N 2.94Å; A664-S668 VanDerWaalsContact O-N 3.1Å
665	T	49.5	Very low	58.7	Low	42 Å²	42	45.4 Å²	45.4	26%	0.258	26%	0.257	S	S	.	.	H	α-helix	trans	-71.9	-24.7	173.5	64.2	0	0	0	0	113.2	G662 L663 R669	G662-T665 PolarHBondContact O-N 3.18Å; G662-T665 PolarHBondContact O-OG1 3.38Å; L663-T665 PolarHBondContact O-N 3.34Å; L663-T665 VanDerWaalsContact O-N 3.16Å; T665-R669 WeakPolarHBondContact O-CB 3.27Å; T665-R669 WeakPolarHBondContact O-CD 3.4Å; T665-R669 WeakPolarHBondContact O-CG 3.41Å
666	V	48	Very low	55.9	Low	1 Å²	1	49.2 Å²	49.2	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-76.9	-48.3	171.3	128.8	0	0	0	0	109.2	A564 E568 L663 A664 S668 R669 W670	A564-V666 HydrophobicContact CB-CG2 4.01Å; E568-V666 WeakPolarHBondContact OE2-CG2 3.26Å; L663-V666 HydrophobicContact CD2-CG1 4.1Å; L663-V666 CarbonylContact O-C 3.51Å; L663-V666 VanDerWaalsContact O-CA 3.27Å; L663-V666 WeakPolarHBondContact O-CA 3.16Å; L663-V666 WeakPolarHBondContact O-CB 3.47Å; L663-V666 VanDerWaalsContact O-CG1 3.29Å; L663-V666 WeakPolarHBondContact O-CG1 3.46Å; L663-V666 PolarHBondContact O-N 3.2Å; A664-V666 VanDerWaalsContact C-N 3.26Å; A664-V666 PolarHBondContact O-N 3.29Å; V666-S668 VanDerWaalsContact C-N 3.34Å; V666-S668 PolarHBondContact O-N 3.44Å; V666-R669 PolarHBondContact O-N 3.34Å; V666-R669 VanDerWaalsContact O-N 3.12Å; V666-W670 HydrophobicContact CB-CD2 4.48Å; V666-W670 HydrophobicContact CB-CH2 4.38Å; V666-W670 HydrophobicContact CB-CZ2 3.9Å; V666-W670 HydrophobicContact CG1-CD2 3.75Å; V666-W670 VanDerWaalsContact CG1-CE2 3.49Å; V666-W670 HydrophobicContact CG1-CE3 3.82Å; V666-W670 HydrophobicContact CG1-CH2 3.33Å; V666-W670 HydrophobicContact CG1-CZ2 3.31Å; V666-W670 HydrophobicContact CG1-CZ3 3.62Å; V666-W670 HydrophobicContact CG2-CH2 4.25Å; V666-W670 HydrophobicContact CG2-CZ2 3.42Å; V666-W670 VanDerWaalsContact CG2-CZ2 3.42Å; V666-W670 VanDerWaalsContact O-CD1 3.29Å; V666-W670 VanDerWaalsContact O-CG 3.22Å; V666-W670 PolarHBondContact O-N 3.34Å; V666-W670 VanDerWaalsContact O-N 3.09Å
667	K	49.3	Very low	52.9	Low	32 Å²	32	55.6 Å²	55.6	14%	0.139	30%	0.303	C	S	.	.	H	α-helix	trans	-49.9	-53.2	175.7	-54.2	-169.3	-175	-166.3	0	111.2	F535 D643 L663 A664 R669 W671	F535-K667 HydrophobicContact CD1-CB 4.46Å; F535-K667 HydrophobicContact CD1-CG 3.92Å; F535-K667 HydrophobicContact CD2-CD 4.34Å; F535-K667 HydrophobicContact CD2-CG 4.16Å; F535-K667 HydrophobicContact CE1-CB 3.75Å; F535-K667 HydrophobicContact CE1-CD 4.07Å; F535-K667 HydrophobicContact CE1-CG 3.44Å; F535-K667 VanDerWaalsContact CE1-CG 3.44Å; F535-K667 HydrophobicContact CE2-CD 3.53Å; F535-K667 HydrophobicContact CE2-CG 3.69Å; F535-K667 HydrophobicContact CG-CG 4.3Å; F535-K667 HydrophobicContact CZ-CB 3.91Å; F535-K667 HydrophobicContact CZ-CD 3.4Å; F535-K667 HydrophobicContact CZ-CG 3.32Å; D643-K667 IonicContact OD1-NZ 2.64Å; D643-K667 PolarHBondContact OD1-NZ 2.98Å; D643-K667 IonicContact OD2-NZ 2.75Å; D643-K667 PolarHBondContact OD2-NZ 2.96Å; L663-K667 WeakPolarHBondContact O-CG 3.03Å; L663-K667 PolarHBondContact O-N 3.28Å; A664-K667 PolarHBondContact O-N 2.94Å; K667-R669 PolarHBondContact O-N 2.84Å; K667-W671 VanDerWaalsContact O-CD1 3.28Å; K667-W671 PolarHBondContact O-NE1 3.43Å
668	S	44	Very low	50	Low	51 Å²	51	57 Å²	57	36%	0.357	31%	0.314	S	S	.	.	H	α-helix	trans	-79.4	9.8	-174.3	81.7	0	0	0	0	115.3	A664 V666	A664-S668 PolarHBondContact O-N 2.94Å; A664-S668 VanDerWaalsContact O-N 3.1Å; V666-S668 VanDerWaalsContact C-N 3.34Å; V666-S668 PolarHBondContact O-N 3.44Å
669	R	43.1	Very low	47.2	Very low	163 Å²	163	61.5 Å²	61.5	62%	0.615	34%	0.342	S	S	*	.	H	α-helix	trans	-135.8	-0.6	-179.7	-71.7	-177.6	170.6	153	-2.6	113.6	T665 V666 K667	T665-R669 WeakPolarHBondContact O-CB 3.27Å; T665-R669 WeakPolarHBondContact O-CD 3.4Å; T665-R669 WeakPolarHBondContact O-CG 3.41Å; V666-R669 PolarHBondContact O-N 3.34Å; V666-R669 VanDerWaalsContact O-N 3.12Å; K667-R669 PolarHBondContact O-N 2.84Å
670	W	42.3	Very low	45.5	Very low	41 Å²	41	63.6 Å²	63.6	16%	0.155	36%	0.363	C	S	.	.	H	α-helix	trans	-97.1	-24.6	176.4	-71.6	5.1	0	0	0	112.5	F535 L552 Q561 V666	F535-W670 HydrophobicContact CB-CZ3 3.94Å; F535-W670 HydrophobicContact CD1-CE3 4.15Å; F535-W670 HydrophobicContact CD1-CZ3 4.22Å; L552-W670 HydrophobicContact CB-CH2 4.34Å; L552-W670 HydrophobicContact CD1-CH2 3.7Å; L552-W670 HydrophobicContact CD1-CZ2 4.11Å; L552-W670 HydrophobicContact CD2-CH2 3.93Å; L552-W670 HydrophobicContact CG-CH2 4.19Å; Q561-W670 HydrophobicContact CG-CG 4.42Å; V666-W670 HydrophobicContact CB-CD2 4.48Å; V666-W670 HydrophobicContact CB-CH2 4.38Å; V666-W670 HydrophobicContact CB-CZ2 3.9Å; V666-W670 HydrophobicContact CG1-CD2 3.75Å; V666-W670 VanDerWaalsContact CG1-CE2 3.49Å; V666-W670 HydrophobicContact CG1-CE3 3.82Å; V666-W670 HydrophobicContact CG1-CH2 3.33Å; V666-W670 HydrophobicContact CG1-CZ2 3.31Å; V666-W670 HydrophobicContact CG1-CZ3 3.62Å; V666-W670 HydrophobicContact CG2-CH2 4.25Å; V666-W670 HydrophobicContact CG2-CZ2 3.42Å; V666-W670 VanDerWaalsContact CG2-CZ2 3.42Å; V666-W670 VanDerWaalsContact O-CD1 3.29Å; V666-W670 VanDerWaalsContact O-CG 3.22Å; V666-W670 PolarHBondContact O-N 3.34Å; V666-W670 VanDerWaalsContact O-N 3.09Å
671	W	35.9	Very low	45	Very low	72 Å²	72	63 Å²	63	27%	0.273	36%	0.363	S	S	.	.			trans	-73.8	121.8	155.6	38.5	-106.1	0	0	0	109.3	K667 Q676	K667-W671 VanDerWaalsContact O-CD1 3.28Å; K667-W671 PolarHBondContact O-NE1 3.43Å; W671-Q676 HydrophobicContact CH2-CB 4.32Å; W671-Q676 HydrophobicContact CH2-CG 3.8Å
672	N	34.9	Very low	45.6	Very low	146 Å²	146	63.4 Å²	63.4	78%	0.781	37%	0.366	S	S	*	.			trans	-82.6	-3.2	173.9	-72.5	-26.5	0	0	0	112.5	G674	N672-G674 PolarHBondContact O-N 3.08Å
673	T	32.2	Very low	47.1	Very low	102 Å²	102	65.3 Å²	65.3	63%	0.626	37%	0.371	S	S	*	.	S	Bend	trans	-83.6	102.7	173.9	48.6	0	0	0	0	109.1	C675	T673-C675 PolarHBondContact O-N 3.21Å
674	G	31.8	Very low	48.8	Very low	77 Å²	77	66 Å²	66	79%	0.794	37%	0.373	S	S	*	.			trans	-61.4	8.6	-171	0	0	0	0	0	118	N672	N672-G674 PolarHBondContact O-N 3.08Å
675	C	26.8	Very low	50.7	Low	83 Å²	83	66.6 Å²	66.6	56%	0.561	38%	0.375	S	S	*	.			trans	-81	116.5	174	-167.9	0	0	0	0	110.3	T673 Q677	T673-C675 PolarHBondContact O-N 3.21Å; C675-Q677 PolarHBondContact O-N 2.87Å
676	Q	37.4	Very low	52.7	Low	113 Å²	113	64.7 Å²	64.7	53%	0.528	36%	0.363	S	S	.	.			trans	-73	54.1	174.6	-70.6	170.2	-12.9	0	0	112.1	W671 M692	W671-Q676 HydrophobicContact CH2-CB 4.32Å; W671-Q676 HydrophobicContact CH2-CG 3.8Å; Q676-M692 HydrophobicContact CB-CE 4.1Å; Q676-M692 HydrophobicContact CB-CG 4.23Å; Q676-M692 VanDerWaalsContact CD-CE 3.42Å; Q676-M692 HydrophobicContact CG-CE 4.1Å
677	Q	33.8	Very low	54.8	Low	133 Å²	133	64.7 Å²	64.7	62%	0.621	36%	0.363	S	S	*	.			trans	-60.7	141.3	172.4	-78.1	-161.9	-11.1	0	0	110.3	C675 T679	C675-Q677 PolarHBondContact O-N 2.87Å; Q677-T679 HydrophobicContact CB-CG2 4.12Å; Q677-T679 PolarHBondContact O-N 3.07Å
678	P	34.5	Very low	56.9	Low	54 Å²	54	63.4 Å²	63.4	35%	0.351	36%	0.358	S	S	.	.			trans	-73.6	61.8	178.9	31.1	-36.1	0	0	0	111.8	G680 M685 L731	P678-G680 PolarHBondContact O-N 3.45Å; P678-M685 HydrophobicContact CB-CE 3.65Å; P678-M685 HydrophobicContact CB-SD 3.84Å; P678-L731 HydrophobicContact CG-CD1 3.89Å; P678-L731 HydrophobicContact CG-CD2 4.42Å
679	T	36.4	Very low	59.1	Low	94 Å²	94	61.2 Å²	61.2	58%	0.577	34%	0.342	S	S	*	.			trans	-74.7	74.3	178.1	54.8	0	0	0	0	110.3	Q677	Q677-T679 HydrophobicContact CB-CG2 4.12Å; Q677-T679 PolarHBondContact O-N 3.07Å
680	G	52.9	Low	61.1	Low	44 Å²	44	54.9 Å²	54.9	45%	0.454	32%	0.32	S	S	.	.	S	Bend	trans	-167.1	-169.5	-172.5	0	0	0	0	0	113.7	P678 I682	P678-G680 PolarHBondContact O-N 3.45Å; G680-I682 PolarHBondContact O-N 3.19Å; G680-I682 VanDerWaalsContact O-N 3.14Å
681	S	70	Confident	63.2	Low	40 Å²	40	58.3 Å²	58.3	28%	0.28	33%	0.333	S	S	.	.			trans	-83.9	88.4	-177.4	-55.6	0	0	0	0	109.2	K645 F683 W684	K645-S681 WeakPolarHBondContact CD-OG 3.45Å; K645-S681 PolarHBondContact NZ-OG 3.38Å; S681-F683 VanDerWaalsContact C-N 3.26Å; S681-F683 PolarHBondContact O-N 2.88Å; S681-F683 VanDerWaalsContact O-N 3.12Å; S681-W684 VanDerWaalsContact CB-CE3 3.45Å; S681-W684 PolarHBondContact O-N 3.45Å
682	I	85.3	Confident	65.4	Low	18 Å²	18	57.3 Å²	57.3	9%	0.092	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-55.3	-34	-165.8	67.1	176.7	0	0	0	114.8	G680 W684 M685 R727 I730 L731	G680-I682 PolarHBondContact O-N 3.19Å; G680-I682 VanDerWaalsContact O-N 3.14Å; I682-W684 PolarHBondContact O-N 2.95Å; I682-W684 VanDerWaalsContact O-N 3.13Å; I682-M685 WeakPolarHBondContact O-CB 3.33Å; I682-M685 PolarHBondContact O-N 3.31Å; I682-R727 HydrophobicContact CD1-CB 3.71Å; I682-R727 HydrophobicContact CD1-CG 3.78Å; I682-I730 HydrophobicContact CD1-CB 4.45Å; I682-I730 HydrophobicContact CD1-CG2 4.38Å; I682-L731 HydrophobicContact CB-CD2 3.97Å; I682-L731 HydrophobicContact CB-CG 4.42Å; I682-L731 HydrophobicContact CG2-CD1 4.22Å; I682-L731 HydrophobicContact CG2-CD2 3.91Å; I682-L731 HydrophobicContact CG2-CG 4.24Å
683	F	90.3	Very high	67.5	Low	51 Å²	51	55.2 Å²	55.2	22%	0.224	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-59.5	-27.7	-175.1	-60	-68.4	0	0	0	114.1	S681 L719 P720 Y721 I730	S681-F683 VanDerWaalsContact C-N 3.26Å; S681-F683 PolarHBondContact O-N 2.88Å; S681-F683 VanDerWaalsContact O-N 3.12Å; F683-L719 HydrophobicContact CE2-CD1 4.23Å; F683-P720 HydrophobicContact CB-CG 3.87Å; F683-P720 HydrophobicContact CD1-CG 4.01Å; F683-P720 WeakPolarHBondContact CD1-O 3.4Å; F683-P720 VanDerWaalsContact CE1-O 3.3Å; F683-P720 WeakPolarHBondContact CE1-O 3.23Å; F683-P720 HydrophobicContact CG-CG 4.28Å; F683-Y721 AromaticContact CD1-CD2 3.84Å; F683-Y721 HydrophobicContact CD1-CD2 3.84Å; F683-Y721 HydrophobicContact CD1-CE2 4.42Å; F683-Y721 HydrophobicContact CE1-CD2 4.31Å; F683-I730 HydrophobicContact CE1-CD1 4.01Å
684	W	94.2	Very high	69.3	Low	20 Å²	20	53.2 Å²	53.2	8%	0.076	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-98.3	1	-178.9	-59.1	-95.7	0	0	0	113	Y605 K645 S681 I682 A706 V709 E713 L719	Y605-W684 HydrophobicContact CD2-CH2 4.32Å; Y605-W684 HydrophobicContact CE2-CH2 4.19Å; K645-W684 HydrophobicContact CB-CB 4.47Å; K645-W684 HydrophobicContact CB-CD2 3.54Å; K645-W684 HydrophobicContact CB-CE3 4.13Å; K645-W684 HydrophobicContact CB-CG 3.69Å; K645-W684 HydrophobicContact CB-CZ2 4.12Å; K645-W684 HydrophobicContact CD-CE3 4.47Å; S681-W684 VanDerWaalsContact CB-CE3 3.45Å; S681-W684 PolarHBondContact O-N 3.45Å; I682-W684 PolarHBondContact O-N 2.95Å; I682-W684 VanDerWaalsContact O-N 3.13Å; W684-A706 HydrophobicContact CB-CB 4.1Å; W684-A706 WeakPolarHBondContact O-CB 3.46Å; W684-V709 HydrophobicContact CD2-CG1 4.5Å; W684-V709 HydrophobicContact CG-CB 4.43Å; W684-V709 HydrophobicContact CG-CG1 4.08Å; W684-E713 WeakPolarHBondContact CZ2-OE1 3.45Å; W684-E713 WeakPolarHBondContact CZ2-OE2 3.42Å; W684-E713 PolarHBondContact NE1-OE2 3.42Å; W684-L719 HydrophobicContact CH2-CD2 3.7Å; W684-L719 HydrophobicContact CZ2-CD2 3.82Å
685	M	91.2	Very high	71.2	Confident	22 Å²	22	59 Å²	59	11%	0.108	32%	0.324	C	S	.	.			trans	-80.4	124.4	-177.3	-64	-173.2	65.3	0	0	111.3	P678 I682 V689 I690 Y705	P678-M685 HydrophobicContact CB-CE 3.65Å; P678-M685 HydrophobicContact CB-SD 3.84Å; I682-M685 WeakPolarHBondContact O-CB 3.33Å; I682-M685 PolarHBondContact O-N 3.31Å; M685-V689 HydrophobicContact CE-CG1 3.76Å; M685-I690 HydrophobicContact CB-CD1 4.16Å; M685-I690 HydrophobicContact CB-CG1 3.76Å; M685-I690 WeakPolarHBondContact O-CD1 3.37Å; M685-Y705 VanDerWaalsContact O-CE1 3.28Å; M685-Y705 WeakPolarHBondContact O-CE1 3.43Å
686	A	93.3	Very high	73.7	Confident	2 Å²	2	59.6 Å²	59.6	2%	0.017	33%	0.325	C	S	.	.			trans	-67	149	177.7	0	0	0	0	0	111.8	E688 V689 I690 Y705	A686-E688 VanDerWaalsContact C-N 3.29Å; A686-E688 WeakPolarHBondContact CB-OE1 3.39Å; A686-E688 WeakPolarHBondContact CB-OE2 3.37Å; A686-E688 PolarHBondContact O-N 3.4Å; A686-V689 HydrophobicContact CB-CB 4.47Å; A686-V689 HydrophobicContact CB-CG2 4.11Å; A686-V689 CarbonylContact O-C 3.54Å; A686-V689 WeakPolarHBondContact O-CA 3.48Å; A686-V689 WeakPolarHBondContact O-CB 3.3Å; A686-V689 PolarHBondContact O-N 2.94Å; A686-I690 PolarHBondContact O-N 2.85Å; A686-Y705 VanDerWaalsContact CA-CD1 3.45Å; A686-Y705 HydrophobicContact CB-CD1 3.89Å; A686-Y705 HydrophobicContact CB-CD2 4.38Å; A686-Y705 HydrophobicContact CB-CG 3.73Å
687	P	91.7	Very high	76	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-52.7	-41.4	-178.8	-27.7	32.9	0	0	0	114.4	V689 I690 R691 Y705 V734 F764	P687-V689 VanDerWaalsContact C-N 3.26Å; P687-V689 PolarHBondContact O-N 3.45Å; P687-I690 PolarHBondContact O-N 2.76Å; P687-R691 VanDerWaalsContact CB-NH1 3.33Å; P687-R691 WeakPolarHBondContact O-CG 3.17Å; P687-R691 PolarHBondContact O-N 2.85Å; P687-Y705 HydrophobicContact CG-CE2 4.25Å; P687-V734 WeakPolarHBondContact CB-O 3.39Å; P687-V734 HydrophobicContact CG-CG1 4.11Å; P687-F764 HydrophobicContact CG-CD1 3.9Å
688	E	92.3	Very high	78.6	Confident	6 Å²	6	51.3 Å²	51.3	3%	0.028	29%	0.285	C	S	.	.	H	α-helix	trans	-68.4	-24.9	176.7	72.7	-79.9	-170.2	0	0	113	A686 M692 E693 P697 R769	A686-E688 VanDerWaalsContact C-N 3.29Å; A686-E688 WeakPolarHBondContact CB-OE1 3.39Å; A686-E688 WeakPolarHBondContact CB-OE2 3.37Å; A686-E688 PolarHBondContact O-N 3.4Å; E688-M692 PolarHBondContact O-N 2.91Å; E688-E693 HydrophobicContact CB-CB 4.27Å; E688-E693 PolarHBondContact O-N 3.32Å; E688-P697 WeakPolarHBondContact O-CB 3.43Å; E688-R769 IonicContact OE1-CZ 3.78Å; E688-R769 IonicContact OE1-NH1 3.01Å; E688-R769 PolarHBondContact OE1-NH1 3.33Å; E688-R769 IonicContact OE1-NH2 2.75Å; E688-R769 IonicContact OE2-CZ 2.75Å; E688-R769 IonicContact OE2-NH1 2.76Å; E688-R769 PolarHBondContact OE2-NH1 2.94Å; E688-R769 IonicContact OE2-NH2 3.63Å; E688-R769 PolarHBondContact OE2-NH2 3.12Å
689	V	90.3	Very high	81.3	Confident	4 Å²	4	50.1 Å²	50.1	2%	0.024	28%	0.277	C	S	.	.	H	α-helix	trans	-81.5	-33.5	173.3	-177.3	0	0	0	0	111	M685 A686 P687 M692 P697 Y698	M685-V689 HydrophobicContact CE-CG1 3.76Å; A686-V689 HydrophobicContact CB-CB 4.47Å; A686-V689 HydrophobicContact CB-CG2 4.11Å; A686-V689 CarbonylContact O-C 3.54Å; A686-V689 WeakPolarHBondContact O-CA 3.48Å; A686-V689 WeakPolarHBondContact O-CB 3.3Å; A686-V689 PolarHBondContact O-N 2.94Å; P687-V689 VanDerWaalsContact C-N 3.26Å; P687-V689 PolarHBondContact O-N 3.45Å; V689-M692 PolarHBondContact O-N 2.84Å; V689-P697 HydrophobicContact CG2-CB 4.31Å; V689-Y698 HydrophobicContact CG1-CD1 4.23Å; V689-Y698 HydrophobicContact CG1-CD2 4.34Å; V689-Y698 HydrophobicContact CG1-CE1 3.65Å; V689-Y698 HydrophobicContact CG1-CE2 3.75Å; V689-Y698 WeakPolarHBondContact CG1-OH 3.19Å; V689-Y698 HydrophobicContact CG2-CD1 4.39Å
690	I	86.5	Confident	84	Confident	31 Å²	31	48.5 Å²	48.5	16%	0.159	26%	0.264	C	S	.	.	H	α-helix	trans	-67.9	-38.3	172.5	-63.1	168.6	0	0	0	110.8	M685 A686 P687 M692 L731 V734	M685-I690 HydrophobicContact CB-CD1 4.16Å; M685-I690 HydrophobicContact CB-CG1 3.76Å; M685-I690 WeakPolarHBondContact O-CD1 3.37Å; A686-I690 PolarHBondContact O-N 2.85Å; P687-I690 PolarHBondContact O-N 2.76Å; I690-M692 VanDerWaalsContact C-N 3.3Å; I690-M692 PolarHBondContact O-N 2.72Å; I690-L731 HydrophobicContact CD1-CD2 4.04Å; I690-L731 HydrophobicContact CG1-CD2 3.94Å; I690-L731 HydrophobicContact CG2-CB 4.21Å; I690-L731 HydrophobicContact CG2-CD2 3.93Å; I690-L731 WeakPolarHBondContact CG2-O 3.19Å; I690-V734 HydrophobicContact CD1-CB 3.88Å; I690-V734 HydrophobicContact CD1-CG1 3.67Å
691	R	84.6	Confident	86.1	Confident	112 Å²	112	48.6 Å²	48.6	42%	0.423	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-11.6	174.4	-68.7	-171	-61.8	-87.3	1.4	114.6	P687 E693 G735	P687-R691 VanDerWaalsContact CB-NH1 3.33Å; P687-R691 WeakPolarHBondContact O-CG 3.17Å; P687-R691 PolarHBondContact O-N 2.85Å; R691-E693 VanDerWaalsContact C-N 3.27Å; R691-E693 HydrophobicContact CB-CB 4.21Å; R691-E693 IonicContact CZ-OE2 2.82Å; R691-E693 IonicContact NE-OE2 3.82Å; R691-E693 PolarHBondContact NE-OE2 3.49Å; R691-E693 IonicContact NH2-OE2 3.75Å; R691-E693 PolarHBondContact NH2-OE2 3.47Å; R691-E693 PolarHBondContact O-N 3.11Å; R691-G735 VanDerWaalsContact CD-O 3.3Å; R691-G735 WeakPolarHBondContact CD-O 3.41Å; R691-G735 WeakPolarHBondContact CG-O 3.45Å; R691-G735 PolarHBondContact NH1-O 3.43Å
692	M	83.4	Confident	87.2	Confident	51 Å²	51	47 Å²	47	25%	0.251	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	49.3	-165.3	-62.9	-55.1	-67.9	0	0	112.8	Q676 E688 V689 I690 G694 P697 Y698	Q676-M692 HydrophobicContact CB-CE 4.1Å; Q676-M692 HydrophobicContact CB-CG 4.23Å; Q676-M692 VanDerWaalsContact CD-CE 3.42Å; Q676-M692 HydrophobicContact CG-CE 4.1Å; E688-M692 PolarHBondContact O-N 2.91Å; V689-M692 PolarHBondContact O-N 2.84Å; I690-M692 VanDerWaalsContact C-N 3.3Å; I690-M692 PolarHBondContact O-N 2.72Å; M692-G694 PolarHBondContact O-N 2.98Å; M692-P697 HydrophobicContact CE-CG 3.58Å; M692-P697 HydrophobicContact SD-CG 3.97Å; M692-Y698 HydrophobicContact CE-CE2 4.3Å
693	E	77.7	Confident	87.8	Confident	102 Å²	102	46.2 Å²	46.2	48%	0.477	24%	0.239	S	C	.	.			trans	-79	109	-170.3	-168.9	175.7	167.5	0	0	112.8	E688 R691	E688-E693 HydrophobicContact CB-CB 4.27Å; E688-E693 PolarHBondContact O-N 3.32Å; R691-E693 VanDerWaalsContact C-N 3.27Å; R691-E693 HydrophobicContact CB-CB 4.21Å; R691-E693 IonicContact CZ-OE2 2.82Å; R691-E693 IonicContact NE-OE2 3.82Å; R691-E693 PolarHBondContact NE-OE2 3.49Å; R691-E693 IonicContact NH2-OE2 3.75Å; R691-E693 PolarHBondContact NH2-OE2 3.47Å; R691-E693 PolarHBondContact O-N 3.11Å
694	G	71.8	Confident	88.1	Confident	61 Å²	61	43.8 Å²	43.8	63%	0.629	23%	0.228	S	C	*	.	S	Bend	trans	83.5	175.5	-178.4	0	0	0	0	0	113.8	M692 T696 P697	M692-G694 PolarHBondContact O-N 2.98Å; G694-T696 PolarHBondContact O-N 2.86Å; G694-P697 WeakPolarHBondContact O-CD 3.34Å
695	E	71.5	Confident	88.3	Confident	198 Å²	198	42.9 Å²	42.9	93%	0.925	23%	0.225	S	C	*	.	S	Bend	trans	-61.8	-27	-175.4	-60.1	-178.6	177.1	0	0	114.1
696	T	79.5	Confident	88.5	Confident	96 Å²	96	42.1 Å²	42.1	59%	0.589	22%	0.222	S	C	*	.			trans	-139.6	73.4	-174.9	45.2	0	0	0	0	111.4	G694 Y698 T699	G694-T696 PolarHBondContact O-N 2.86Å; T696-Y698 VanDerWaalsContact C-N 3.26Å; T696-Y698 PolarHBondContact O-N 3.23Å; T696-T699 WeakPolarHBondContact O-CG2 3.36Å
697	P	84.7	Confident	88.8	Confident	6 Å²	6	42 Å²	42	4%	0.039	22%	0.221	C	C	.	.			trans	-68.6	-29	-179.6	28.2	-34.1	0	0	0	112	E688 V689 M692 G694 T699	E688-P697 WeakPolarHBondContact O-CB 3.43Å; V689-P697 HydrophobicContact CG2-CB 4.31Å; M692-P697 HydrophobicContact CE-CG 3.58Å; M692-P697 HydrophobicContact SD-CG 3.97Å; G694-P697 WeakPolarHBondContact O-CD 3.34Å; P697-T699 PolarHBondContact O-N 2.7Å
698	Y	88.2	Confident	89.1	Confident	66 Å²	66	42 Å²	42	26%	0.259	22%	0.221	S	C	.	.			trans	-71.8	112.1	170.7	-70.9	-85.1	0	0	0	111	R642 V689 M692 T696	R642-Y698 HydrophobicContact CB-CD1 3.62Å; R642-Y698 HydrophobicContact CB-CE1 4.01Å; R642-Y698 HydrophobicContact CB-CG 4.41Å; R642-Y698 HydrophobicContact CG-CD1 3.83Å; R642-Y698 HydrophobicContact CG-CG 4.2Å; V689-Y698 HydrophobicContact CG1-CD1 4.23Å; V689-Y698 HydrophobicContact CG1-CD2 4.34Å; V689-Y698 HydrophobicContact CG1-CE1 3.65Å; V689-Y698 HydrophobicContact CG1-CE2 3.75Å; V689-Y698 WeakPolarHBondContact CG1-OH 3.19Å; V689-Y698 HydrophobicContact CG2-CD1 4.39Å; M692-Y698 HydrophobicContact CE-CE2 4.3Å; T696-Y698 VanDerWaalsContact C-N 3.26Å; T696-Y698 PolarHBondContact O-N 3.23Å
699	T	91.7	Very high	89.3	Confident	29 Å²	29	41.8 Å²	41.8	18%	0.178	22%	0.22	C	C	.	.			trans	-136.3	172.9	-176.8	64.4	0	0	0	0	110.9	I640 T696 P697 L701 S702 D703	I640-T699 WeakPolarHBondContact CG2-O 3.35Å; T696-T699 WeakPolarHBondContact O-CG2 3.36Å; P697-T699 PolarHBondContact O-N 2.7Å; T699-L701 PolarHBondContact O-N 3.4Å; T699-L701 VanDerWaalsContact O-N 3.14Å; T699-L701 PolarHBondContact OG1-N 3.26Å; T699-S702 PolarHBondContact N-OG 3.21Å; T699-S702 PolarHBondContact O-N 3.4Å; T699-S702 VanDerWaalsContact O-N 3.12Å; T699-S702 PolarHBondContact O-OG 3.32Å; T699-S702 PolarHBondContact OG1-N 2.86Å; T699-D703 PolarHBondContact O-N 2.89Å
700	N	93.8	Very high	89.6	Confident	60 Å²	60	41.6 Å²	41.6	32%	0.321	22%	0.219	S	C	.	.	H	α-helix	trans	-53.8	-31.6	167.8	-68.5	16.8	0	0	0	111.7	H635 I640 D703 V704	H635-N700 VanDerWaalsContact CE1-CA 3.5Å; H635-N700 WeakPolarHBondContact CE1-CA 3.39Å; H635-N700 PolarHBondContact CE1-O 2.9Å; I640-N700 WeakPolarHBondContact CG1-OD1 3.49Å; N700-D703 PolarHBondContact O-N 3.19Å; N700-V704 WeakPolarHBondContact O-CG2 3.4Å; N700-V704 PolarHBondContact O-N 3.27Å
701	L	95.9	Very high	90.1	Very high	45 Å²	45	40.1 Å²	40.1	24%	0.236	21%	0.211	C	C	.	.	H	α-helix	trans	-81.4	-20.3	-178	-58.1	170.6	0	0	0	113	T699 V704 Y705 R766 R769	T699-L701 PolarHBondContact O-N 3.4Å; T699-L701 VanDerWaalsContact O-N 3.14Å; T699-L701 PolarHBondContact OG1-N 3.26Å; L701-V704 PolarHBondContact O-N 2.77Å; L701-Y705 PolarHBondContact O-N 2.71Å; L701-R766 HydrophobicContact CB-CB 4.06Å; L701-R766 HydrophobicContact CD1-CB 4.46Å; L701-R766 HydrophobicContact CD1-CG 4.36Å; L701-R769 HydrophobicContact CD2-CB 4.45Å; L701-R769 VanDerWaalsContact O-CD 3.32Å; L701-R769 WeakPolarHBondContact O-CD 3.4Å; L701-R769 PolarHBondContact O-NH1 2.91Å
702	S	94.3	Very high	90.7	Very high	7 Å²	7	35 Å²	35	5%	0.049	19%	0.192	C	C	.	.	H	α-helix	trans	-75.1	-34.2	168.9	65.6	0	0	0	0	111.7	T699 V704 Y705 A706	T699-S702 PolarHBondContact N-OG 3.21Å; T699-S702 PolarHBondContact O-N 3.4Å; T699-S702 VanDerWaalsContact O-N 3.12Å; T699-S702 PolarHBondContact O-OG 3.32Å; T699-S702 PolarHBondContact OG1-N 2.86Å; S702-V704 VanDerWaalsContact C-N 3.29Å; S702-V704 PolarHBondContact O-N 3.36Å; S702-Y705 PolarHBondContact O-N 2.81Å; S702-A706 PolarHBondContact O-N 3.18Å; S702-A706 VanDerWaalsContact O-N 3.14Å
703	D	96.1	Very high	91.2	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.011	18%	0.18	C	C	.	.	H	α-helix	trans	-63.8	-35.2	170	-72.4	-13.8	0	0	0	111.6	M631 H635 I640 H641 R642 T699 N700 A706 Y707 F772	M631-D703 HydrophobicContact CE-CB 3.81Å; M631-D703 WeakPolarHBondContact CE-OD2 3.34Å; H635-D703 IonicContact CD2-OD2 3.73Å; H635-D703 IonicContact CE1-OD2 2.67Å; H635-D703 IonicContact NE2-OD2 3.64Å; H635-D703 PolarHBondContact NE2-OD2 2.77Å; I640-D703 WeakPolarHBondContact CA-OD2 3.47Å; I640-D703 WeakPolarHBondContact CG2-OD2 3.46Å; H641-D703 PolarHBondContact N-OD1 3.09Å; H641-D703 PolarHBondContact N-OD2 3.04Å; R642-D703 PolarHBondContact N-OD1 2.91Å; T699-D703 PolarHBondContact O-N 2.89Å; N700-D703 PolarHBondContact O-N 3.19Å; D703-A706 PolarHBondContact O-N 3.27Å; D703-Y707 WeakPolarHBondContact O-CB 3.27Å; D703-Y707 PolarHBondContact O-N 2.73Å; D703-F772 HydrophobicContact CB-CE2 4.42Å
704	V	98	Very high	92.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.3	-40.2	175.1	172.1	0	0	0	0	111.6	N700 L701 S702 Y707 G708 C761 R769 P770 F772 I775	N700-V704 WeakPolarHBondContact O-CG2 3.4Å; N700-V704 PolarHBondContact O-N 3.27Å; L701-V704 PolarHBondContact O-N 2.77Å; S702-V704 VanDerWaalsContact C-N 3.29Å; S702-V704 PolarHBondContact O-N 3.36Å; V704-Y707 WeakPolarHBondContact O-CB 3.34Å; V704-Y707 PolarHBondContact O-N 3.32Å; V704-G708 PolarHBondContact O-N 3.41Å; V704-C761 HydrophobicContact CG1-CB 3.86Å; V704-R769 HydrophobicContact CB-CB 4.44Å; V704-R769 HydrophobicContact CG1-CB 3.82Å; V704-P770 WeakPolarHBondContact CG1-O 3.23Å; V704-F772 HydrophobicContact CB-CE2 4.42Å; V704-F772 HydrophobicContact CG2-CD2 3.74Å; V704-F772 HydrophobicContact CG2-CE2 3.52Å; V704-F772 HydrophobicContact CG2-CZ 4.27Å; V704-I775 HydrophobicContact CG1-CD1 4.08Å; V704-I775 HydrophobicContact CG2-CD1 4.35Å
705	Y	97.6	Very high	93.1	Very high	1 Å²	1	25 Å²	25	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-60.8	-48.6	174.1	-178.9	-83.6	0	0	0	111.5	M685 A686 P687 L701 S702 Y707 G708 V709 Y721 C761 C762	M685-Y705 VanDerWaalsContact O-CE1 3.28Å; M685-Y705 WeakPolarHBondContact O-CE1 3.43Å; A686-Y705 VanDerWaalsContact CA-CD1 3.45Å; A686-Y705 HydrophobicContact CB-CD1 3.89Å; A686-Y705 HydrophobicContact CB-CD2 4.38Å; A686-Y705 HydrophobicContact CB-CG 3.73Å; P687-Y705 HydrophobicContact CG-CE2 4.25Å; L701-Y705 PolarHBondContact O-N 2.71Å; S702-Y705 PolarHBondContact O-N 2.81Å; Y705-Y707 PolarHBondContact O-N 3.48Å; Y705-G708 WeakPolarHBondContact O-CA 3.47Å; Y705-G708 PolarHBondContact O-N 3.47Å; Y705-V709 HydrophobicContact CD1-CG2 4.33Å; Y705-V709 HydrophobicContact CE1-CG2 3.93Å; Y705-V709 PolarHBondContact O-N 3.08Å; Y705-V709 VanDerWaalsContact O-N 3.1Å; Y705-Y721 PolarHBondContact OH-OH 3.47Å; Y705-C761 WeakPolarHBondContact CA-O 3.24Å; Y705-C762 HydrophobicContact CD2-CB 4.39Å; Y705-C762 HydrophobicContact CE2-CB 4.15Å; Y705-C762 WeakPolarHBondContact CE2-O 3.38Å
706	A	96.8	Very high	94	Very high	6 Å²	6	16.2 Å²	16.2	5%	0.05	9%	0.088	C	C	.	.	H	α-helix	trans	-57.5	-37.5	176.2	0	0	0	0	0	112	L644 W684 S702 D703 V709 V710	L644-A706 HydrophobicContact CB-CB 4.15Å; L644-A706 WeakPolarHBondContact O-CB 3.42Å; W684-A706 HydrophobicContact CB-CB 4.1Å; W684-A706 WeakPolarHBondContact O-CB 3.46Å; S702-A706 PolarHBondContact O-N 3.18Å; S702-A706 VanDerWaalsContact O-N 3.14Å; D703-A706 PolarHBondContact O-N 3.27Å; A706-V709 PolarHBondContact O-N 3.24Å; A706-V710 PolarHBondContact O-N 3.34Å
707	Y	98.2	Very high	94.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-70.1	-35.3	173.2	178.2	-106.7	0	0	0	114	A624 T627 L644 D703 V704 Y705 V709 V710 I711 F772 I775 L779	A624-Y707 PolarHBondContact O-OH 3.4Å; T627-Y707 HydrophobicContact CG2-CD2 3.86Å; T627-Y707 HydrophobicContact CG2-CE2 3.7Å; L644-Y707 HydrophobicContact CD2-CD2 4.44Å; D703-Y707 WeakPolarHBondContact O-CB 3.27Å; D703-Y707 PolarHBondContact O-N 2.73Å; V704-Y707 WeakPolarHBondContact O-CB 3.34Å; V704-Y707 PolarHBondContact O-N 3.32Å; Y705-Y707 PolarHBondContact O-N 3.48Å; Y707-V709 PolarHBondContact O-N 3.3Å; Y707-V710 PolarHBondContact O-N 3.15Å; Y707-V710 VanDerWaalsContact O-N 3.09Å; Y707-I711 HydrophobicContact CD1-CD1 4.11Å; Y707-I711 HydrophobicContact CE1-CD1 3.46Å; Y707-I711 VanDerWaalsContact CE1-CD1 3.46Å; Y707-I711 HydrophobicContact CE1-CG1 4.01Å; Y707-I711 HydrophobicContact CE2-CG1 4.41Å; Y707-I711 PolarHBondContact O-N 2.96Å; Y707-F772 AromaticContact CD1-CE1 3.55Å; Y707-F772 HydrophobicContact CD1-CE1 3.55Å; Y707-F772 AromaticContact CD1-CZ 3.92Å; Y707-F772 HydrophobicContact CD1-CZ 3.92Å; Y707-F772 AromaticContact CD2-CE1 3.99Å; Y707-F772 HydrophobicContact CD2-CE1 3.99Å; Y707-F772 HydrophobicContact CD2-CZ 4.29Å; Y707-F772 AromaticContact CE1-CE1 3.98Å; Y707-F772 HydrophobicContact CE1-CE1 3.98Å; Y707-F772 HydrophobicContact CE2-CE1 4.38Å; Y707-F772 AromaticContact CG-CE1 3.56Å; Y707-F772 HydrophobicContact CG-CE1 3.56Å; Y707-F772 AromaticContact CG-CZ 3.65Å; Y707-F772 HydrophobicContact CG-CZ 3.65Å; Y707-I775 HydrophobicContact CD1-CD1 4.13Å; Y707-I775 HydrophobicContact CD1-CG2 4.47Å; Y707-I775 HydrophobicContact CE1-CD1 4.26Å; Y707-I775 HydrophobicContact CE1-CG2 3.63Å; Y707-L779 WeakPolarHBondContact OH-CD1 3.21Å
708	G	97.6	Very high	94.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-58.1	-38.1	170.9	0	0	0	0	0	112.2	V704 Y705 I711 Y712 S758	V704-G708 PolarHBondContact O-N 3.41Å; Y705-G708 WeakPolarHBondContact O-CA 3.47Å; Y705-G708 PolarHBondContact O-N 3.47Å; G708-I711 PolarHBondContact O-N 3.24Å; G708-Y712 PolarHBondContact O-N 3.35Å; G708-S758 PolarHBondContact O-OG 2.76Å
709	V	96.8	Very high	94.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-69.6	-38.3	172.2	179.2	0	0	0	0	111.8	W684 Y705 A706 Y707 I711 Y712 E713 P720	W684-V709 HydrophobicContact CD2-CG1 4.5Å; W684-V709 HydrophobicContact CG-CB 4.43Å; W684-V709 HydrophobicContact CG-CG1 4.08Å; Y705-V709 HydrophobicContact CD1-CG2 4.33Å; Y705-V709 HydrophobicContact CE1-CG2 3.93Å; Y705-V709 PolarHBondContact O-N 3.08Å; Y705-V709 VanDerWaalsContact O-N 3.1Å; A706-V709 PolarHBondContact O-N 3.24Å; Y707-V709 PolarHBondContact O-N 3.3Å; V709-I711 VanDerWaalsContact C-N 3.3Å; V709-I711 PolarHBondContact O-N 3.16Å; V709-Y712 WeakPolarHBondContact O-CA 3.39Å; V709-Y712 VanDerWaalsContact O-CB 3.28Å; V709-Y712 WeakPolarHBondContact O-CB 3.26Å; V709-Y712 PolarHBondContact O-N 2.82Å; V709-Y712 VanDerWaalsContact O-N 3.08Å; V709-E713 WeakPolarHBondContact O-CG 3.34Å; V709-E713 PolarHBondContact O-N 2.67Å; V709-P720 HydrophobicContact CG1-CG 3.9Å
710	V	97.6	Very high	94.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.1	-35.6	171.8	172.5	0	0	0	0	112	L604 I649 A706 Y707 L714	L604-V710 HydrophobicContact CD2-CG1 4.05Å; I649-V710 HydrophobicContact CD1-CB 4.46Å; I649-V710 HydrophobicContact CD1-CG1 3.71Å; I649-V710 HydrophobicContact CD1-CG2 3.97Å; A706-V710 PolarHBondContact O-N 3.34Å; Y707-V710 PolarHBondContact O-N 3.15Å; Y707-V710 VanDerWaalsContact O-N 3.09Å; V710-L714 HydrophobicContact CG1-CD1 4.36Å; V710-L714 WeakPolarHBondContact O-CG 3.32Å; V710-L714 PolarHBondContact O-N 3.34Å; V710-L714 VanDerWaalsContact O-N 3.14Å
711	I	97.4	Very high	94.2	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-65.1	-43.1	170.2	-63.2	173.2	0	0	0	110.4	Y707 G708 V709 E713 L714 I715 L754 L757	Y707-I711 HydrophobicContact CD1-CD1 4.11Å; Y707-I711 HydrophobicContact CE1-CD1 3.46Å; Y707-I711 VanDerWaalsContact CE1-CD1 3.46Å; Y707-I711 HydrophobicContact CE1-CG1 4.01Å; Y707-I711 HydrophobicContact CE2-CG1 4.41Å; Y707-I711 PolarHBondContact O-N 2.96Å; G708-I711 PolarHBondContact O-N 3.24Å; V709-I711 VanDerWaalsContact C-N 3.3Å; V709-I711 PolarHBondContact O-N 3.16Å; I711-E713 VanDerWaalsContact C-N 3.33Å; I711-E713 PolarHBondContact O-N 2.91Å; I711-L714 WeakPolarHBondContact O-CB 3.46Å; I711-L714 PolarHBondContact O-N 3.15Å; I711-L714 VanDerWaalsContact O-N 3.14Å; I711-I715 HydrophobicContact CG2-CD1 4.27Å; I711-I715 HydrophobicContact CG2-CG2 4.05Å; I711-I715 WeakPolarHBondContact O-CG1 3.47Å; I711-I715 WeakPolarHBondContact O-CG2 3.44Å; I711-I715 PolarHBondContact O-N 3.25Å; I711-L754 HydrophobicContact CD1-CD1 4.16Å; I711-L754 HydrophobicContact CG1-CD1 4.41Å; I711-L754 HydrophobicContact CG2-CD1 3.65Å; I711-L754 HydrophobicContact CG2-CD2 4.45Å; I711-L754 HydrophobicContact CG2-CG 3.76Å; I711-L757 HydrophobicContact CD1-CD2 3.95Å; I711-L757 HydrophobicContact CD1-CG 3.92Å
712	Y	95.7	Very high	93.2	Very high	4 Å²	4	11 Å²	11	2%	0.016	7%	0.071	C	C	.	.	H	α-helix	trans	-54.9	-48.1	175.9	177.4	-81.9	0	0	0	111.7	G708 V709 L714 I715 T716 P720 P741 D742 L743	G708-Y712 PolarHBondContact O-N 3.35Å; V709-Y712 WeakPolarHBondContact O-CA 3.39Å; V709-Y712 VanDerWaalsContact O-CB 3.28Å; V709-Y712 WeakPolarHBondContact O-CB 3.26Å; V709-Y712 PolarHBondContact O-N 2.82Å; V709-Y712 VanDerWaalsContact O-N 3.08Å; Y712-L714 VanDerWaalsContact C-N 3.31Å; Y712-L714 PolarHBondContact O-N 3.19Å; Y712-I715 PolarHBondContact O-N 3.43Å; Y712-T716 HydrophobicContact CD1-CG2 4.3Å; Y712-T716 HydrophobicContact CD2-CG2 4.09Å; Y712-T716 HydrophobicContact CE1-CG2 4.01Å; Y712-T716 WeakPolarHBondContact CE1-OG1 3.45Å; Y712-T716 HydrophobicContact CE2-CG2 3.84Å; Y712-T716 HydrophobicContact CG-CG2 4.33Å; Y712-T716 WeakPolarHBondContact O-CB 3.43Å; Y712-T716 WeakPolarHBondContact O-CG2 3.22Å; Y712-T716 PolarHBondContact O-N 3.28Å; Y712-T716 PolarHBondContact O-OG1 3.19Å; Y712-P720 HydrophobicContact CD1-CB 4.04Å; Y712-P720 VanDerWaalsContact CE1-CA 3.48Å; Y712-P720 HydrophobicContact CE1-CB 3.82Å; Y712-P741 HydrophobicContact CD2-CB 3.23Å; Y712-P741 HydrophobicContact CD2-CG 4.42Å; Y712-P741 HydrophobicContact CE2-CB 3.4Å; Y712-P741 VanDerWaalsContact CE2-CB 3.4Å; Y712-P741 HydrophobicContact CG-CB 3.88Å; Y712-D742 WeakPolarHBondContact CE2-O 3.31Å; Y712-D742 PolarHBondContact OH-O 3.25Å; Y712-L743 HydrophobicContact CD2-CD2 3.54Å; Y712-L743 HydrophobicContact CE2-CD2 3.9Å
713	E	95.1	Very high	92.3	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58	-42.9	176.7	-65.7	176.5	82.2	0	0	111.8	L608 H609 S646 W684 V709 I711 G717 Q718 L719	L608-E713 HydrophobicContact CD1-CB 3.81Å; H609-E713 IonicContact CD2-OE1 2.6Å; H609-E713 IonicContact CE1-OE1 2.83Å; H609-E713 IonicContact NE2-OE1 3.93Å; H609-E713 PolarHBondContact NE2-OE1 3.13Å; S646-E713 WeakPolarHBondContact CB-OE1 3.4Å; S646-E713 WeakPolarHBondContact CB-OE2 3.24Å; S646-E713 PolarHBondContact OG-OE1 3.04Å; S646-E713 PolarHBondContact OG-OE2 3.06Å; W684-E713 WeakPolarHBondContact CZ2-OE1 3.45Å; W684-E713 WeakPolarHBondContact CZ2-OE2 3.42Å; W684-E713 PolarHBondContact NE1-OE2 3.42Å; V709-E713 WeakPolarHBondContact O-CG 3.34Å; V709-E713 PolarHBondContact O-N 2.67Å; I711-E713 VanDerWaalsContact C-N 3.33Å; I711-E713 PolarHBondContact O-N 2.91Å; E713-G717 VanDerWaalsContact O-CA 3.25Å; E713-G717 WeakPolarHBondContact O-CA 3.23Å; E713-G717 PolarHBondContact O-N 3.15Å; E713-Q718 WeakPolarHBondContact CA-O 3.15Å; E713-L719 HydrophobicContact CG-CD2 4.36Å
714	L	95.2	Very high	91.3	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-64.7	-43	178.7	-77.3	166.4	0	0	0	112.9	L604 L608 F615 L620 I623 A624 V710 I711 Y712	L604-L714 HydrophobicContact CD1-CD2 3.93Å; L604-L714 HydrophobicContact CD2-CD2 4.12Å; L604-L714 HydrophobicContact CD2-CG 4.33Å; L608-L714 HydrophobicContact CD1-CD2 4.32Å; F615-L714 HydrophobicContact CD2-CD2 4.46Å; L620-L714 VanDerWaalsContact CD1-O 3.31Å; L620-L714 WeakPolarHBondContact CD1-O 3.28Å; L620-L714 HydrophobicContact CD2-CB 3.86Å; L620-L714 HydrophobicContact CG-CB 4.04Å; L620-L714 HydrophobicContact CG-CD2 4.32Å; I623-L714 HydrophobicContact CG2-CD1 4.27Å; I623-L714 HydrophobicContact CG2-CD2 4.14Å; A624-L714 HydrophobicContact CB-CD1 4.19Å; V710-L714 HydrophobicContact CG1-CD1 4.36Å; V710-L714 WeakPolarHBondContact O-CG 3.32Å; V710-L714 PolarHBondContact O-N 3.34Å; V710-L714 VanDerWaalsContact O-N 3.14Å; I711-L714 WeakPolarHBondContact O-CB 3.46Å; I711-L714 PolarHBondContact O-N 3.15Å; I711-L714 VanDerWaalsContact O-N 3.14Å; Y712-L714 VanDerWaalsContact C-N 3.31Å; Y712-L714 PolarHBondContact O-N 3.19Å
715	I	93.9	Very high	89.8	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-86.8	-21.5	-172.6	69.2	-175.3	0	0	0	114.3	L620 I711 Y712 L743 R747 I750 L754	L620-I715 HydrophobicContact CD2-CG2 4.13Å; I711-I715 HydrophobicContact CG2-CD1 4.27Å; I711-I715 HydrophobicContact CG2-CG2 4.05Å; I711-I715 WeakPolarHBondContact O-CG1 3.47Å; I711-I715 WeakPolarHBondContact O-CG2 3.44Å; I711-I715 PolarHBondContact O-N 3.25Å; Y712-I715 PolarHBondContact O-N 3.43Å; I715-L743 HydrophobicContact CD1-CD1 4.49Å; I715-L743 HydrophobicContact CD1-CD2 3.74Å; I715-L743 HydrophobicContact CG1-CD2 4.36Å; I715-R747 PolarHBondContact O-N 2.85Å; I715-I750 HydrophobicContact CB-CD1 4.19Å; I715-I750 HydrophobicContact CB-CG1 4.06Å; I715-I750 HydrophobicContact CB-CG2 3.98Å; I715-I750 HydrophobicContact CG2-CD1 4.12Å; I715-I750 HydrophobicContact CG2-CG1 4.34Å; I715-I750 HydrophobicContact CG2-CG2 3.64Å; I715-L754 HydrophobicContact CG2-CD2 3.52Å; I715-L754 HydrophobicContact CG2-CG 3.92Å
716	T	90.9	Very high	88.6	Confident	14 Å²	14	31.1 Å²	31.1	9%	0.086	17%	0.168	C	C	.	.	H	α-helix	trans	-101	-29.4	176	64	0	0	0	0	113	Y712 Q718 L743 V745	Y712-T716 HydrophobicContact CD1-CG2 4.3Å; Y712-T716 HydrophobicContact CD2-CG2 4.09Å; Y712-T716 HydrophobicContact CE1-CG2 4.01Å; Y712-T716 WeakPolarHBondContact CE1-OG1 3.45Å; Y712-T716 HydrophobicContact CE2-CG2 3.84Å; Y712-T716 HydrophobicContact CG-CG2 4.33Å; Y712-T716 WeakPolarHBondContact O-CB 3.43Å; Y712-T716 WeakPolarHBondContact O-CG2 3.22Å; Y712-T716 PolarHBondContact O-N 3.28Å; Y712-T716 PolarHBondContact O-OG1 3.19Å; T716-Q718 VanDerWaalsContact C-N 3.25Å; T716-Q718 PolarHBondContact OG1-N 3.49Å; T716-Q718 PolarHBondContact OG1-O 2.83Å; T716-L743 HydrophobicContact CG2-CD2 4.46Å; T716-V745 HydrophobicContact CG2-CG2 3.87Å
717	G	89.4	Confident	87.7	Confident	35 Å²	35	39.7 Å²	39.7	36%	0.361	20%	0.199	S	C	.	.	S	Bend	trans	72.2	15.8	-166.8	0	0	0	0	0	113.8	E713	E713-G717 VanDerWaalsContact O-CA 3.25Å; E713-G717 WeakPolarHBondContact O-CA 3.23Å; E713-G717 PolarHBondContact O-N 3.15Å
718	Q	88	Confident	86.7	Confident	45 Å²	45	45.3 Å²	45.3	21%	0.21	23%	0.229	C	C	.	.	S	Bend	trans	-132.2	158.8	-176.4	-60.9	-170.1	3.3	0	0	112	E713 T716	E713-Q718 WeakPolarHBondContact CA-O 3.15Å; T716-Q718 VanDerWaalsContact C-N 3.25Å; T716-Q718 PolarHBondContact OG1-N 3.49Å; T716-Q718 PolarHBondContact OG1-O 2.83Å
719	L	89	Confident	85.8	Confident	36 Å²	36	49.6 Å²	49.6	19%	0.188	25%	0.249	C	C	.	.			trans	-74.1	146.5	164	-67.5	174.8	0	0	0	110	Y605 F683 W684 E713	Y605-L719 HydrophobicContact CE2-CD1 4.27Å; Y605-L719 HydrophobicContact CE2-CD2 4.17Å; F683-L719 HydrophobicContact CE2-CD1 4.23Å; W684-L719 HydrophobicContact CH2-CD2 3.7Å; W684-L719 HydrophobicContact CZ2-CD2 3.82Å; E713-L719 HydrophobicContact CG-CD2 4.36Å
720	P	88	Confident	84.9	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	155.5	176.7	32.2	-37.9	0	0	0	110.9	F683 V709 Y712 S722 P741	F683-P720 HydrophobicContact CB-CG 3.87Å; F683-P720 HydrophobicContact CD1-CG 4.01Å; F683-P720 WeakPolarHBondContact CD1-O 3.4Å; F683-P720 VanDerWaalsContact CE1-O 3.3Å; F683-P720 WeakPolarHBondContact CE1-O 3.23Å; F683-P720 HydrophobicContact CG-CG 4.28Å; V709-P720 HydrophobicContact CG1-CG 3.9Å; Y712-P720 HydrophobicContact CD1-CB 4.04Å; Y712-P720 VanDerWaalsContact CE1-CA 3.48Å; Y712-P720 HydrophobicContact CE1-CB 3.82Å; P720-S722 VanDerWaalsContact C-N 3.27Å; P720-S722 PolarHBondContact O-N 3.31Å; P720-P741 HydrophobicContact CB-CB 4.11Å; P720-P741 HydrophobicContact CB-CG 4.29Å
721	Y	85.6	Confident	84.1	Confident	15 Å²	15	50.9 Å²	50.9	6%	0.059	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	28.7	176.7	-30.8	-51.9	0	0	0	113.9	F683 Y705 H723 Y724 I730 V734 L739 P741	F683-Y721 AromaticContact CD1-CD2 3.84Å; F683-Y721 HydrophobicContact CD1-CD2 3.84Å; F683-Y721 HydrophobicContact CD1-CE2 4.42Å; F683-Y721 HydrophobicContact CE1-CD2 4.31Å; Y705-Y721 PolarHBondContact OH-OH 3.47Å; Y721-H723 PolarHBondContact O-N 2.95Å; Y721-Y724 PolarHBondContact O-N 3.43Å; Y721-I730 HydrophobicContact CD2-CG2 3.5Å; Y721-I730 HydrophobicContact CE2-CG2 3.95Å; Y721-I730 HydrophobicContact CG-CG2 4.28Å; Y721-V734 HydrophobicContact CE1-CG2 4.4Å; Y721-V734 HydrophobicContact CE2-CG2 3.82Å; Y721-L739 HydrophobicContact CD1-CD1 3.8Å; Y721-L739 HydrophobicContact CD1-CD2 3.7Å; Y721-L739 HydrophobicContact CD1-CG 3.6Å; Y721-L739 HydrophobicContact CE1-CD1 4.1Å; Y721-L739 HydrophobicContact CE1-CD2 4.12Å; Y721-L739 HydrophobicContact CE1-CG 3.64Å; Y721-L739 HydrophobicContact CG-CD2 3.98Å; Y721-L739 HydrophobicContact CG-CG 4.37Å; Y721-P741 HydrophobicContact CE1-CG 4.28Å
722	S	76.1	Confident	83.1	Confident	61 Å²	61	56.5 Å²	56.5	43%	0.427	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-10.1	-179.4	54.3	0	0	0	0	115.6	P720	P720-S722 VanDerWaalsContact C-N 3.27Å; P720-S722 PolarHBondContact O-N 3.31Å
723	H	75.8	Confident	82.4	Confident	154 Å²	154	57.8 Å²	57.8	71%	0.713	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-0.9	173.6	-53.2	-39.1	0	0	0	114.1	Y721	Y721-H723 PolarHBondContact O-N 2.95Å
724	Y	73.9	Confident	81.9	Confident	73 Å²	73	58 Å²	58	29%	0.286	29%	0.288	S	S	.	.			trans	-110.1	110.3	179.7	-71.5	-90.3	0	0	0	111.1	Y721 Q729 I730 L733 L739	Y721-Y724 PolarHBondContact O-N 3.43Å; Y724-Q729 HydrophobicContact CD1-CG 4.25Å; Y724-Q729 HydrophobicContact CE1-CG 4.44Å; Y724-I730 HydrophobicContact CG-CG1 4.23Å; Y724-L733 HydrophobicContact CD1-CD1 4.46Å; Y724-L733 HydrophobicContact CE1-CD1 3.63Å; Y724-L739 HydrophobicContact CD2-CD2 4.19Å; Y724-L739 HydrophobicContact CE2-CD1 3.82Å; Y724-L739 HydrophobicContact CE2-CD2 3.84Å
725	N	66.8	Low	81.3	Confident	126 Å²	126	58.1 Å²	58.1	67%	0.674	29%	0.291	S	S	*	.			trans	-78.9	-20.9	179.1	-64	13	0	0	0	112.8	N64	N64-N725 PolarHBondContact OD1-ND2 3.2Å
726	N	73.5	Confident	80.8	Confident	80 Å²	80	66.5 Å²	66.5	43%	0.428	32%	0.323	S	S	.	.			trans	-96.7	118.7	-175.5	-175.5	-32.7	0	0	0	112	D728 Q729 I730	N726-D728 PolarHBondContact OD1-N 3.5Å; N726-Q729 HydrophobicContact CB-CB 3.83Å; N726-Q729 PolarHBondContact O-N 3.1Å; N726-Q729 PolarHBondContact OD1-N 2.92Å; N726-Q729 VanDerWaalsContact OD1-N 3.07Å; N726-I730 WeakPolarHBondContact O-CG1 3.34Å; N726-I730 PolarHBondContact O-N 2.86Å
727	R	77.7	Confident	80.4	Confident	186 Å²	186	66.6 Å²	66.6	70%	0.702	33%	0.326	S	S	*	.	H	α-helix	trans	-65.7	-39.2	-179.8	-68.1	-175.5	-177.5	161	4.5	113.6	I682 Q729 I730 L731	I682-R727 HydrophobicContact CD1-CB 3.71Å; I682-R727 HydrophobicContact CD1-CG 3.78Å; R727-Q729 VanDerWaalsContact C-N 3.34Å; R727-I730 PolarHBondContact O-N 3.44Å; R727-L731 WeakPolarHBondContact O-CG 3.42Å; R727-L731 PolarHBondContact O-N 3.11Å
728	D	76.3	Confident	80.1	Confident	118 Å²	118	68.4 Å²	68.4	63%	0.631	33%	0.327	S	S	*	.	H	α-helix	trans	-73.7	-31.1	-179.2	-59.5	-45.2	0	0	0	111.2	N726 L731 F732	N726-D728 PolarHBondContact OD1-N 3.5Å; D728-L731 PolarHBondContact O-N 2.75Å; D728-F732 VanDerWaalsContact O-CB 3.26Å; D728-F732 WeakPolarHBondContact O-CB 3.3Å; D728-F732 PolarHBondContact O-N 3.18Å
729	Q	79.5	Confident	79.8	Confident	90 Å²	90	66.8 Å²	66.8	42%	0.421	32%	0.32	S	S	.	.	H	α-helix	trans	-63.6	-43.7	169.7	-169.3	-178.1	18.5	0	0	111.5	Y724 N726 R727 F732 L733	Y724-Q729 HydrophobicContact CD1-CG 4.25Å; Y724-Q729 HydrophobicContact CE1-CG 4.44Å; N726-Q729 HydrophobicContact CB-CB 3.83Å; N726-Q729 PolarHBondContact O-N 3.1Å; N726-Q729 PolarHBondContact OD1-N 2.92Å; N726-Q729 VanDerWaalsContact OD1-N 3.07Å; R727-Q729 VanDerWaalsContact C-N 3.34Å; Q729-F732 PolarHBondContact O-N 2.79Å; Q729-L733 HydrophobicContact CG-CD1 3.98Å; Q729-L733 WeakPolarHBondContact O-CB 3.42Å; Q729-L733 VanDerWaalsContact O-CG 3.27Å; Q729-L733 WeakPolarHBondContact O-CG 3.5Å; Q729-L733 PolarHBondContact O-N 3.11Å
730	I	77.1	Confident	79.7	Confident	5 Å²	5	66 Å²	66	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-61.2	-50.6	173.9	-66.4	165.7	0	0	0	110.3	I682 F683 Y721 Y724 N726 R727 F732 L733 V734	I682-I730 HydrophobicContact CD1-CB 4.45Å; I682-I730 HydrophobicContact CD1-CG2 4.38Å; F683-I730 HydrophobicContact CE1-CD1 4.01Å; Y721-I730 HydrophobicContact CD2-CG2 3.5Å; Y721-I730 HydrophobicContact CE2-CG2 3.95Å; Y721-I730 HydrophobicContact CG-CG2 4.28Å; Y724-I730 HydrophobicContact CG-CG1 4.23Å; N726-I730 WeakPolarHBondContact O-CG1 3.34Å; N726-I730 PolarHBondContact O-N 2.86Å; R727-I730 PolarHBondContact O-N 3.44Å; I730-F732 VanDerWaalsContact C-N 3.33Å; I730-F732 PolarHBondContact O-N 3.44Å; I730-L733 PolarHBondContact O-N 3.41Å; I730-V734 HydrophobicContact CG2-CG2 4.11Å; I730-V734 WeakPolarHBondContact O-CB 3.19Å; I730-V734 VanDerWaalsContact O-CG2 3.31Å; I730-V734 WeakPolarHBondContact O-CG2 3.25Å; I730-V734 PolarHBondContact O-N 2.86Å
731	L	80.7	Confident	79.7	Confident	22 Å²	22	66.2 Å²	66.2	12%	0.115	32%	0.316	C	S	.	.	H	α-helix	trans	-57.4	-45.2	178.2	-73.5	170.4	0	0	0	111.5	P678 I682 I690 R727 D728 G735	P678-L731 HydrophobicContact CG-CD1 3.89Å; P678-L731 HydrophobicContact CG-CD2 4.42Å; I682-L731 HydrophobicContact CB-CD2 3.97Å; I682-L731 HydrophobicContact CB-CG 4.42Å; I682-L731 HydrophobicContact CG2-CD1 4.22Å; I682-L731 HydrophobicContact CG2-CD2 3.91Å; I682-L731 HydrophobicContact CG2-CG 4.24Å; I690-L731 HydrophobicContact CD1-CD2 4.04Å; I690-L731 HydrophobicContact CG1-CD2 3.94Å; I690-L731 HydrophobicContact CG2-CB 4.21Å; I690-L731 HydrophobicContact CG2-CD2 3.93Å; I690-L731 WeakPolarHBondContact CG2-O 3.19Å; R727-L731 WeakPolarHBondContact O-CG 3.42Å; R727-L731 PolarHBondContact O-N 3.11Å; D728-L731 PolarHBondContact O-N 2.75Å; L731-G735 WeakPolarHBondContact O-CA 3.44Å; L731-G735 PolarHBondContact O-N 3.09Å
732	F	76.2	Confident	79.6	Confident	118 Å²	118	68.3 Å²	68.3	52%	0.518	33%	0.328	S	S	.	.	H	α-helix	trans	-62.1	-49.3	177.3	-179.9	-94.1	0	0	0	112.2	D728 Q729 I730 R736	D728-F732 VanDerWaalsContact O-CB 3.26Å; D728-F732 WeakPolarHBondContact O-CB 3.3Å; D728-F732 PolarHBondContact O-N 3.18Å; Q729-F732 PolarHBondContact O-N 2.79Å; I730-F732 VanDerWaalsContact C-N 3.33Å; I730-F732 PolarHBondContact O-N 3.44Å; F732-R736 HydrophobicContact CD1-CG 4.36Å; F732-R736 HydrophobicContact CD2-CG 4.47Å; F732-R736 HydrophobicContact CE1-CG 4.1Å; F732-R736 HydrophobicContact CE2-CG 4.22Å; F732-R736 HydrophobicContact CZ-CG 4.03Å; F732-R736 VanDerWaalsContact O-CB 3.25Å; F732-R736 WeakPolarHBondContact O-CB 3.27Å; F732-R736 WeakPolarHBondContact O-CG 3.48Å; F732-R736 PolarHBondContact O-N 2.87Å
733	L	81.6	Confident	80	Confident	31 Å²	31	65.7 Å²	65.7	16%	0.162	31%	0.31	C	S	.	.	H	α-helix	trans	-70.4	-42.4	-175.8	-67.6	172.8	0	0	0	112.7	Y724 Q729 I730 R736 G737 L738 L739	Y724-L733 HydrophobicContact CD1-CD1 4.46Å; Y724-L733 HydrophobicContact CE1-CD1 3.63Å; Q729-L733 HydrophobicContact CG-CD1 3.98Å; Q729-L733 WeakPolarHBondContact O-CB 3.42Å; Q729-L733 VanDerWaalsContact O-CG 3.27Å; Q729-L733 WeakPolarHBondContact O-CG 3.5Å; Q729-L733 PolarHBondContact O-N 3.11Å; I730-L733 PolarHBondContact O-N 3.41Å; L733-R736 PolarHBondContact O-N 3.02Å; L733-G737 PolarHBondContact O-N 3.33Å; L733-L738 HydrophobicContact CD2-CB 4.21Å; L733-L738 HydrophobicContact CD2-CD1 4.2Å; L733-L738 PolarHBondContact O-N 2.87Å; L733-L739 HydrophobicContact CB-CB 3.63Å; L733-L739 HydrophobicContact CB-CD2 4Å; L733-L739 HydrophobicContact CB-CG 4.48Å; L733-L739 HydrophobicContact CD1-CD2 4.19Å; L733-L739 PolarHBondContact O-N 2.78Å
734	V	85.4	Confident	80.1	Confident	4 Å²	4	62 Å²	62	2%	0.024	30%	0.298	C	S	.	.	H	α-helix	trans	-67.9	-43.4	174.7	-179.5	0	0	0	0	110.1	P687 I690 Y721 I730 R736 G737 L739	P687-V734 WeakPolarHBondContact CB-O 3.39Å; P687-V734 HydrophobicContact CG-CG1 4.11Å; I690-V734 HydrophobicContact CD1-CB 3.88Å; I690-V734 HydrophobicContact CD1-CG1 3.67Å; Y721-V734 HydrophobicContact CE1-CG2 4.4Å; Y721-V734 HydrophobicContact CE2-CG2 3.82Å; I730-V734 HydrophobicContact CG2-CG2 4.11Å; I730-V734 WeakPolarHBondContact O-CB 3.19Å; I730-V734 VanDerWaalsContact O-CG2 3.31Å; I730-V734 WeakPolarHBondContact O-CG2 3.25Å; I730-V734 PolarHBondContact O-N 2.86Å; V734-R736 VanDerWaalsContact C-N 3.27Å; V734-R736 PolarHBondContact O-N 3.19Å; V734-G737 PolarHBondContact O-N 3.43Å; V734-L739 HydrophobicContact CG2-CB 4.19Å; V734-L739 HydrophobicContact CG2-CD2 4.19Å; V734-L739 HydrophobicContact CG2-CG 4.21Å
735	G	82.1	Confident	80.4	Confident	8 Å²	8	61.2 Å²	61.2	8%	0.082	30%	0.301	C	S	.	.	H	α-helix	trans	-62.4	-29.4	176.2	0	0	0	0	0	113.8	R691 L731	R691-G735 VanDerWaalsContact CD-O 3.3Å; R691-G735 WeakPolarHBondContact CD-O 3.41Å; R691-G735 WeakPolarHBondContact CG-O 3.45Å; R691-G735 PolarHBondContact NH1-O 3.43Å; L731-G735 WeakPolarHBondContact O-CA 3.44Å; L731-G735 PolarHBondContact O-N 3.09Å
736	R	83.1	Confident	81.2	Confident	176 Å²	176	56.3 Å²	56.3	66%	0.664	28%	0.276	S	S	*	.	H	α-helix	trans	-83.1	-10.4	172.1	-74.2	-72.9	-176	172.8	-0.7	114.4	F732 L733 V734 L738	F732-R736 HydrophobicContact CD1-CG 4.36Å; F732-R736 HydrophobicContact CD2-CG 4.47Å; F732-R736 HydrophobicContact CE1-CG 4.1Å; F732-R736 HydrophobicContact CE2-CG 4.22Å; F732-R736 HydrophobicContact CZ-CG 4.03Å; F732-R736 VanDerWaalsContact O-CB 3.25Å; F732-R736 WeakPolarHBondContact O-CB 3.27Å; F732-R736 WeakPolarHBondContact O-CG 3.48Å; F732-R736 PolarHBondContact O-N 2.87Å; L733-R736 PolarHBondContact O-N 3.02Å; V734-R736 VanDerWaalsContact C-N 3.27Å; V734-R736 PolarHBondContact O-N 3.19Å; R736-L738 HydrophobicContact CB-CD1 3.83Å; R736-L738 HydrophobicContact CB-CG 3.89Å
737	G	82.8	Confident	81.7	Confident	15 Å²	15	55.4 Å²	55.4	16%	0.155	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	33.2	-174.6	0	0	0	0	0	113.6	L733 V734 F764	L733-G737 PolarHBondContact O-N 3.33Å; V734-G737 PolarHBondContact O-N 3.43Å; G737-F764 WeakPolarHBondContact O-CE2 3.32Å
738	L	82.1	Confident	82	Confident	73 Å²	73	51.8 Å²	51.8	38%	0.382	28%	0.277	S	S	.	.			trans	-110.2	-11.1	-178.1	-61.2	175.5	0	0	0	113.4	V324 L733 R736	V324-L738 HydrophobicContact CB-CD2 4.47Å; V324-L738 HydrophobicContact CG2-CD2 4.43Å; L733-L738 HydrophobicContact CD2-CB 4.21Å; L733-L738 HydrophobicContact CD2-CD1 4.2Å; L733-L738 PolarHBondContact O-N 2.87Å; R736-L738 HydrophobicContact CB-CD1 3.83Å; R736-L738 HydrophobicContact CB-CG 3.89Å
739	L	83.3	Confident	82.5	Confident	12 Å²	12	50.1 Å²	50.1	6%	0.063	27%	0.268	C	S	.	.			trans	-133.8	116.8	-177.3	178.2	60.4	0	0	0	110.1	Y721 Y724 L733 V734 F764	Y721-L739 HydrophobicContact CD1-CD1 3.8Å; Y721-L739 HydrophobicContact CD1-CD2 3.7Å; Y721-L739 HydrophobicContact CD1-CG 3.6Å; Y721-L739 HydrophobicContact CE1-CD1 4.1Å; Y721-L739 HydrophobicContact CE1-CD2 4.12Å; Y721-L739 HydrophobicContact CE1-CG 3.64Å; Y721-L739 HydrophobicContact CG-CD2 3.98Å; Y721-L739 HydrophobicContact CG-CG 4.37Å; Y724-L739 HydrophobicContact CD2-CD2 4.19Å; Y724-L739 HydrophobicContact CE2-CD1 3.82Å; Y724-L739 HydrophobicContact CE2-CD2 3.84Å; L733-L739 HydrophobicContact CB-CB 3.63Å; L733-L739 HydrophobicContact CB-CD2 4Å; L733-L739 HydrophobicContact CB-CG 4.48Å; L733-L739 HydrophobicContact CD1-CD2 4.19Å; L733-L739 PolarHBondContact O-N 2.78Å; V734-L739 HydrophobicContact CG2-CB 4.19Å; V734-L739 HydrophobicContact CG2-CD2 4.19Å; V734-L739 HydrophobicContact CG2-CG 4.21Å; L739-F764 WeakPolarHBondContact O-CE1 3.37Å
740	K	86.8	Confident	82.9	Confident	19 Å²	19	46.2 Å²	46.2	8%	0.083	25%	0.25	C	C	.	.			trans	-114.7	158.3	172.1	60.2	171.3	179	177.2	0	110.1	L317 D320 V321 D742 F764	L317-K740 WeakPolarHBondContact O-CE 3.46Å; L317-K740 PolarHBondContact O-NZ 3.47Å; D320-K740 HydrophobicContact CB-CD 4.01Å; D320-K740 IonicContact OD2-NZ 3.21Å; D320-K740 PolarHBondContact OD2-NZ 2.97Å; V321-K740 HydrophobicContact CG2-CD 4.46Å; V321-K740 HydrophobicContact CG2-CG 3.94Å; K740-D742 PolarHBondContact O-N 3.2Å; K740-F764 HydrophobicContact CB-CE1 4.29Å; K740-F764 HydrophobicContact CB-CZ 3.84Å
741	P	87.7	Confident	83.3	Confident	5 Å²	5	46.9 Å²	46.9	3%	0.032	25%	0.254	C	S	.	.			trans	-60.3	132	176.5	-23.2	34.4	0	0	0	112	Y712 P720 Y721	Y712-P741 HydrophobicContact CD2-CB 3.23Å; Y712-P741 HydrophobicContact CD2-CG 4.42Å; Y712-P741 HydrophobicContact CE2-CB 3.4Å; Y712-P741 VanDerWaalsContact CE2-CB 3.4Å; Y712-P741 HydrophobicContact CG-CB 3.88Å; P720-P741 HydrophobicContact CB-CB 4.11Å; P720-P741 HydrophobicContact CB-CG 4.29Å; Y721-P741 HydrophobicContact CE1-CG 4.28Å
742	D	83.1	Confident	83.5	Confident	58 Å²	58	47.2 Å²	47.2	31%	0.31	26%	0.255	S	S	.	.			trans	-88.3	110.1	-173.4	-171.6	-21.4	0	0	0	111.5	R260 Y712 K740 T744	R260-D742 IonicContact NH1-OD2 3.61Å; Y712-D742 WeakPolarHBondContact CE2-O 3.31Å; Y712-D742 PolarHBondContact OH-O 3.25Å; K740-D742 PolarHBondContact O-N 3.2Å; D742-T744 VanDerWaalsContact C-N 3.31Å; D742-T744 VanDerWaalsContact CG-OG1 3.24Å; D742-T744 PolarHBondContact O-N 3.2Å; D742-T744 VanDerWaalsContact OD1-CB 3.26Å; D742-T744 WeakPolarHBondContact OD1-CB 3.07Å; D742-T744 VanDerWaalsContact OD1-CG2 3.27Å; D742-T744 WeakPolarHBondContact OD1-CG2 3.43Å; D742-T744 PolarHBondContact OD1-N 2.93Å; D742-T744 PolarHBondContact OD1-OG1 2.68Å; D742-T744 PolarHBondContact OD2-OG1 2.76Å
743	L	83.7	Confident	83.9	Confident	6 Å²	6	44.2 Å²	44.2	3%	0.031	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-83.9	5.4	179.7	-64.7	-172.1	0	0	0	114.6	L317 Y712 I715 T716 V745 C746 Q755 L759	L317-L743 HydrophobicContact CD1-CB 4.01Å; L317-L743 HydrophobicContact CD2-CB 4.06Å; L317-L743 HydrophobicContact CD2-CD1 4.18Å; Y712-L743 HydrophobicContact CD2-CD2 3.54Å; Y712-L743 HydrophobicContact CE2-CD2 3.9Å; I715-L743 HydrophobicContact CD1-CD1 4.49Å; I715-L743 HydrophobicContact CD1-CD2 3.74Å; I715-L743 HydrophobicContact CG1-CD2 4.36Å; T716-L743 HydrophobicContact CG2-CD2 4.46Å; L743-V745 PolarHBondContact O-N 3.39Å; L743-C746 HydrophobicContact CB-CB 4.39Å; L743-C746 WeakPolarHBondContact O-CB 3.44Å; L743-C746 PolarHBondContact O-N 3.29Å; L743-Q755 HydrophobicContact CD1-CB 4.22Å; L743-L759 HydrophobicContact CD1-CD1 4.1Å; L743-L759 HydrophobicContact CD1-CD2 3.73Å; L743-L759 HydrophobicContact CD1-CG 3.69Å; L743-L759 HydrophobicContact CG-CD2 4.16Å
744	T	79.6	Confident	84.3	Confident	78 Å²	78	42.8 Å²	42.8	48%	0.479	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-64.4	-20.6	172.1	59.8	0	0	0	0	113	D742	D742-T744 VanDerWaalsContact C-N 3.31Å; D742-T744 VanDerWaalsContact CG-OG1 3.24Å; D742-T744 PolarHBondContact O-N 3.2Å; D742-T744 VanDerWaalsContact OD1-CB 3.26Å; D742-T744 WeakPolarHBondContact OD1-CB 3.07Å; D742-T744 VanDerWaalsContact OD1-CG2 3.27Å; D742-T744 WeakPolarHBondContact OD1-CG2 3.43Å; D742-T744 PolarHBondContact OD1-N 2.93Å; D742-T744 PolarHBondContact OD1-OG1 2.68Å; D742-T744 PolarHBondContact OD2-OG1 2.76Å
745	V	80.2	Confident	84.6	Confident	56 Å²	56	44.1 Å²	44.1	34%	0.339	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-91.5	8.8	172.4	-58	0	0	0	0	114.1	T716 L743	T716-V745 HydrophobicContact CG2-CG2 3.87Å; L743-V745 PolarHBondContact O-N 3.39Å
746	C	83.3	Confident	84.8	Confident	23 Å²	23	45.7 Å²	45.7	16%	0.155	25%	0.245	C	C	.	.	S	Bend	trans	-68	142.9	177.5	-172.4	0	0	0	0	112	L743	L743-C746 HydrophobicContact CB-CB 4.39Å; L743-C746 WeakPolarHBondContact O-CB 3.44Å; L743-C746 PolarHBondContact O-N 3.29Å
747	R	84	Confident	85.2	Confident	61 Å²	61	37.9 Å²	37.9	23%	0.23	22%	0.216	C	C	.	.			trans	-66.7	138.5	176.2	-59.8	156.2	49.4	161.2	0.1	111.2	F615 I715 D749 I750	F615-R747 PolarHBondContact O-NH1 2.87Å; F615-R747 PolarHBondContact O-NH2 2.94Å; I715-R747 PolarHBondContact O-N 2.85Å; R747-D749 WeakPolarHBondContact CB-OD1 3.44Å; R747-D749 IonicContact CZ-OD1 3.52Å; R747-D749 IonicContact CZ-OD2 3.6Å; R747-D749 IonicContact NE-OD1 2.77Å; R747-D749 PolarHBondContact NE-OD1 3.05Å; R747-D749 IonicContact NE-OD2 2.7Å; R747-D749 IonicContact NH2-OD1 3.61Å; R747-D749 PolarHBondContact NH2-OD1 3.43Å; R747-D749 IonicContact NH2-OD2 2.72Å; R747-D749 PolarHBondContact NH2-OD2 2.91Å; R747-D749 PolarHBondContact O-N 3.21Å; R747-D749 VanDerWaalsContact O-N 3.16Å; R747-I750 HydrophobicContact CB-CG1 3.85Å; R747-I750 WeakPolarHBondContact O-CB 3.36Å; R747-I750 WeakPolarHBondContact O-CG1 3.4Å; R747-I750 PolarHBondContact O-N 3.14Å
748	A	82.7	Confident	85.8	Confident	110 Å²	110	37.3 Å²	37.3	91%	0.909	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.4	-176.4	0	0	0	0	0	115.2
749	D	86.5	Confident	86.2	Confident	83 Å²	83	35.5 Å²	35.5	44%	0.444	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-7.2	177.5	65	-32.2	0	0	0	113.8	V617 R747	V617-D749 HydrophobicContact CG2-CB 4.14Å; V617-D749 VanDerWaalsContact CG2-OD2 3.24Å; V617-D749 WeakPolarHBondContact CG2-OD2 3.3Å; R747-D749 WeakPolarHBondContact CB-OD1 3.44Å; R747-D749 IonicContact CZ-OD1 3.52Å; R747-D749 IonicContact CZ-OD2 3.6Å; R747-D749 IonicContact NE-OD1 2.77Å; R747-D749 PolarHBondContact NE-OD1 3.05Å; R747-D749 IonicContact NE-OD2 2.7Å; R747-D749 IonicContact NH2-OD1 3.61Å; R747-D749 PolarHBondContact NH2-OD1 3.43Å; R747-D749 IonicContact NH2-OD2 2.72Å; R747-D749 PolarHBondContact NH2-OD2 2.91Å; R747-D749 PolarHBondContact O-N 3.21Å; R747-D749 VanDerWaalsContact O-N 3.16Å
750	I	88.7	Confident	86.6	Confident	7 Å²	7	37.2 Å²	37.2	4%	0.036	21%	0.209	C	C	.	.	S	Bend	trans	-75.8	126.7	-175.3	-60.4	-66.8	0	0	0	111	L620 I715 R747 H752 L754 Q755	L620-I750 HydrophobicContact CD1-CD1 3.46Å; L620-I750 VanDerWaalsContact CD1-CD1 3.46Å; I715-I750 HydrophobicContact CB-CD1 4.19Å; I715-I750 HydrophobicContact CB-CG1 4.06Å; I715-I750 HydrophobicContact CB-CG2 3.98Å; I715-I750 HydrophobicContact CG2-CD1 4.12Å; I715-I750 HydrophobicContact CG2-CG1 4.34Å; I715-I750 HydrophobicContact CG2-CG2 3.64Å; R747-I750 HydrophobicContact CB-CG1 3.85Å; R747-I750 WeakPolarHBondContact O-CB 3.36Å; R747-I750 WeakPolarHBondContact O-CG1 3.4Å; R747-I750 PolarHBondContact O-N 3.14Å; I750-H752 PolarHBondContact O-N 3.31Å; I750-L754 HydrophobicContact CG2-CB 4.26Å; I750-L754 HydrophobicContact CG2-CD2 4.2Å; I750-Q755 HydrophobicContact CB-CG 4.37Å; I750-Q755 HydrophobicContact CG2-CG 3.74Å; I750-Q755 PolarHBondContact O-NE2 3.38Å
751	P	86.3	Confident	87.1	Confident	20 Å²	20	36.3 Å²	36.3	13%	0.13	21%	0.205	C	C	.	.			trans	-54.3	128.1	175.3	-25.9	34	0	0	0	112.3	V617 Q753 L754 Q755 L782 L786	V617-P751 HydrophobicContact CG1-CG 3.88Å; P751-Q753 PolarHBondContact O-N 3.44Å; P751-L754 WeakPolarHBondContact O-CB 3.41Å; P751-L754 PolarHBondContact O-N 3.07Å; P751-Q755 PolarHBondContact O-N 3.22Å; P751-L782 HydrophobicContact CB-CD1 4.03Å; P751-L782 HydrophobicContact CB-CD2 4.39Å; P751-L782 HydrophobicContact CG-CD1 4.37Å; P751-L786 HydrophobicContact CG-CD2 4.07Å
752	H	83.8	Confident	87.4	Confident	28 Å²	28	36.4 Å²	36.4	13%	0.13	21%	0.206	C	C	.	.	H	α-helix	trans	-50.1	-31.5	176.2	176.5	-17.5	0	0	0	112.6	C297 L314 I750 L754 Q755 R756	C297-H752 WeakPolarHBondContact CB-CE1 3.42Å; C297-H752 VanDerWaalsContact CB-NE2 3.34Å; C297-H752 WeakPolarHBondContact CB-NE2 3.3Å; L314-H752 WeakPolarHBondContact CD2-CE1 3.4Å; L314-H752 WeakPolarHBondContact CG-CE1 3.47Å; L314-H752 WeakPolarHBondContact CG-NE2 3.45Å; I750-H752 PolarHBondContact O-N 3.31Å; H752-L754 VanDerWaalsContact C-N 3.32Å; H752-L754 PolarHBondContact O-N 2.93Å; H752-Q755 PolarHBondContact O-N 3.21Å; H752-R756 WeakPolarHBondContact O-CB 3.37Å; H752-R756 PolarHBondContact O-N 3.21Å
753	Q	85.5	Confident	87.9	Confident	56 Å²	56	35 Å²	35	26%	0.262	20%	0.201	S	C	.	.	H	α-helix	trans	-53.9	-45.7	172.1	-66.9	70.3	18.3	0	0	111.8	C297 P751 L757 L782	C297-Q753 VanDerWaalsContact O-CG 3.31Å; C297-Q753 WeakPolarHBondContact O-CG 3.48Å; C297-Q753 PolarHBondContact O-NE2 3.02Å; P751-Q753 PolarHBondContact O-N 3.44Å; Q753-L757 WeakPolarHBondContact O-CB 3.44Å; Q753-L757 PolarHBondContact O-N 3.36Å; Q753-L782 HydrophobicContact CB-CD1 4.11Å; Q753-L782 HydrophobicContact CB-CD2 4.08Å; Q753-L782 HydrophobicContact CG-CD1 4.14Å
754	L	90	Very high	88.2	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-78.1	-37.7	-177.3	-173.3	64.3	0	0	0	112	L620 V621 I711 I715 I750 P751 H752 L757 S758 L779 L782	L620-L754 HydrophobicContact CD2-CD2 3.5Å; L620-L754 VanDerWaalsContact CD2-CD2 3.5Å; V621-L754 HydrophobicContact CG2-CD2 4.11Å; I711-L754 HydrophobicContact CD1-CD1 4.16Å; I711-L754 HydrophobicContact CG1-CD1 4.41Å; I711-L754 HydrophobicContact CG2-CD1 3.65Å; I711-L754 HydrophobicContact CG2-CD2 4.45Å; I711-L754 HydrophobicContact CG2-CG 3.76Å; I715-L754 HydrophobicContact CG2-CD2 3.52Å; I715-L754 HydrophobicContact CG2-CG 3.92Å; I750-L754 HydrophobicContact CG2-CB 4.26Å; I750-L754 HydrophobicContact CG2-CD2 4.2Å; P751-L754 WeakPolarHBondContact O-CB 3.41Å; P751-L754 PolarHBondContact O-N 3.07Å; H752-L754 VanDerWaalsContact C-N 3.32Å; H752-L754 PolarHBondContact O-N 2.93Å; L754-L757 HydrophobicContact CD1-CD2 4.32Å; L754-L757 PolarHBondContact O-N 2.8Å; L754-S758 PolarHBondContact O-N 2.83Å; L754-L779 HydrophobicContact CD1-CD2 3.76Å; L754-L782 HydrophobicContact CB-CD2 4.29Å
755	Q	90.5	Very high	88.7	Confident	32 Å²	32	39.4 Å²	39.4	15%	0.15	22%	0.215	C	C	.	.	H	α-helix	trans	-58.7	-49.9	173.3	-54.5	-174.8	20.8	0	0	110.7	L743 I750 P751 H752 L757 S758 L759	L743-Q755 HydrophobicContact CD1-CB 4.22Å; I750-Q755 HydrophobicContact CB-CG 4.37Å; I750-Q755 HydrophobicContact CG2-CG 3.74Å; I750-Q755 PolarHBondContact O-NE2 3.38Å; P751-Q755 PolarHBondContact O-N 3.22Å; H752-Q755 PolarHBondContact O-N 3.21Å; Q755-L757 VanDerWaalsContact C-N 3.34Å; Q755-L757 PolarHBondContact O-N 3.29Å; Q755-S758 WeakPolarHBondContact O-CB 3.47Å; Q755-S758 PolarHBondContact O-N 2.97Å; Q755-L759 PolarHBondContact O-N 2.67Å
756	R	87.8	Confident	89.3	Confident	42 Å²	42	40.7 Å²	40.7	16%	0.158	21%	0.214	C	C	.	.	H	α-helix	trans	-63.1	-39.3	176.5	-176	169.2	179	148.7	3.7	112	C313 H752 S758 L759 D760	C313-R756 PolarHBondContact O-NH1 2.92Å; H752-R756 WeakPolarHBondContact O-CB 3.37Å; H752-R756 PolarHBondContact O-N 3.21Å; R756-S758 VanDerWaalsContact C-N 3.31Å; R756-S758 PolarHBondContact O-N 2.8Å; R756-L759 PolarHBondContact O-N 3.47Å; R756-D760 IonicContact NE-OD1 2.96Å; R756-D760 IonicContact NE-OD2 3.5Å; R756-D760 WeakPolarHBondContact O-CB 3.38Å; R756-D760 VanDerWaalsContact O-CG 3.26Å; R756-D760 PolarHBondContact O-N 2.89Å
757	L	91.8	Very high	89.7	Confident	12 Å²	12	45.4 Å²	45.4	6%	0.063	23%	0.234	C	C	.	.	H	α-helix	trans	-62.3	-34.7	176.2	-175.7	62.7	0	0	0	113.1	I711 Q753 L754 Q755 C761 P770 I775 L779	I711-L757 HydrophobicContact CD1-CD2 3.95Å; I711-L757 HydrophobicContact CD1-CG 3.92Å; Q753-L757 WeakPolarHBondContact O-CB 3.44Å; Q753-L757 PolarHBondContact O-N 3.36Å; L754-L757 HydrophobicContact CD1-CD2 4.32Å; L754-L757 PolarHBondContact O-N 2.8Å; Q755-L757 VanDerWaalsContact C-N 3.34Å; Q755-L757 PolarHBondContact O-N 3.29Å; L757-C761 VanDerWaalsContact O-CB 3.29Å; L757-C761 WeakPolarHBondContact O-CB 3.49Å; L757-C761 PolarHBondContact O-N 3.14Å; L757-C761 VanDerWaalsContact O-N 3.11Å; L757-C761 PolarHBondContact O-SG 2.95Å; L757-P770 HydrophobicContact CD1-CG 4.34Å; L757-I775 HydrophobicContact CD1-CG1 4.32Å; L757-I775 HydrophobicContact CD1-CG2 4.39Å; L757-I775 HydrophobicContact CD2-CG2 4.14Å; L757-L779 HydrophobicContact CD2-CD1 3.99Å; L757-L779 HydrophobicContact CD2-CD2 3.68Å; L757-L779 HydrophobicContact CD2-CG 3.77Å
758	S	94.1	Very high	90.1	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.014	25%	0.245	C	C	.	.	H	α-helix	trans	-62	-48	172	-176.2	0	0	0	0	111.2	G708 L754 Q755 R756 C761 C762	G708-S758 PolarHBondContact O-OG 2.76Å; L754-S758 PolarHBondContact O-N 2.83Å; Q755-S758 WeakPolarHBondContact O-CB 3.47Å; Q755-S758 PolarHBondContact O-N 2.97Å; R756-S758 VanDerWaalsContact C-N 3.31Å; R756-S758 PolarHBondContact O-N 2.8Å; S758-C761 PolarHBondContact O-N 3.31Å; S758-C762 WeakPolarHBondContact O-CB 3.37Å; S758-C762 PolarHBondContact O-N 3.07Å; S758-C762 PolarHBondContact O-SG 2.84Å
759	L	91.1	Very high	90.7	Very high	36 Å²	36	41.6 Å²	41.6	19%	0.188	20%	0.202	C	C	.	.	H	α-helix	trans	-62.4	-50.5	177.3	-61.1	173.2	0	0	0	112.6	L317 L743 Q755 R756 C761 C762 S763	L317-L759 HydrophobicContact CD2-CD1 3.7Å; L743-L759 HydrophobicContact CD1-CD1 4.1Å; L743-L759 HydrophobicContact CD1-CD2 3.73Å; L743-L759 HydrophobicContact CD1-CG 3.69Å; L743-L759 HydrophobicContact CG-CD2 4.16Å; Q755-L759 PolarHBondContact O-N 2.67Å; R756-L759 PolarHBondContact O-N 3.47Å; L759-C761 PolarHBondContact O-N 2.91Å; L759-C762 CarbonylContact O-C 3.39Å; L759-C762 PolarHBondContact O-N 2.95Å; L759-S763 PolarHBondContact O-N 3.08Å; L759-S763 VanDerWaalsContact O-N 3.1Å
760	D	91.4	Very high	91	Very high	47 Å²	47	38.2 Å²	38.2	25%	0.251	19%	0.185	S	C	.	.	H	α-helix	trans	-55.1	-42.7	179.6	-69.5	-10.5	0	0	0	109.9	R756 S763 P770	R756-D760 IonicContact NE-OD1 2.96Å; R756-D760 IonicContact NE-OD2 3.5Å; R756-D760 WeakPolarHBondContact O-CB 3.38Å; R756-D760 VanDerWaalsContact O-CG 3.26Å; R756-D760 PolarHBondContact O-N 2.89Å; D760-S763 WeakPolarHBondContact O-CB 3.1Å; D760-S763 PolarHBondContact O-OG 3.28Å; D760-P770 HydrophobicContact CB-CG 4.38Å
761	C	96.4	Very high	91.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-69.2	-36.2	174.5	-70.3	0	0	0	0	113.7	V704 Y705 L757 S758 L759 S763 R769	V704-C761 HydrophobicContact CG1-CB 3.86Å; Y705-C761 WeakPolarHBondContact CA-O 3.24Å; L757-C761 VanDerWaalsContact O-CB 3.29Å; L757-C761 WeakPolarHBondContact O-CB 3.49Å; L757-C761 PolarHBondContact O-N 3.14Å; L757-C761 VanDerWaalsContact O-N 3.11Å; L757-C761 PolarHBondContact O-SG 2.95Å; S758-C761 PolarHBondContact O-N 3.31Å; L759-C761 PolarHBondContact O-N 2.91Å; C761-S763 VanDerWaalsContact C-N 3.27Å; C761-S763 PolarHBondContact O-N 3.1Å; C761-R769 WeakPolarHBondContact O-CD 3.44Å; C761-R769 WeakPolarHBondContact O-CG 3.33Å
762	C	94.5	Very high	91.9	Very high	8 Å²	8	39 Å²	39	5%	0.054	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	7.7	178.5	-74.1	0	0	0	0	114.7	Y705 S758 L759 F764	Y705-C762 HydrophobicContact CD2-CB 4.39Å; Y705-C762 HydrophobicContact CE2-CB 4.15Å; Y705-C762 WeakPolarHBondContact CE2-O 3.38Å; S758-C762 WeakPolarHBondContact O-CB 3.37Å; S758-C762 PolarHBondContact O-N 3.07Å; S758-C762 PolarHBondContact O-SG 2.84Å; L759-C762 CarbonylContact O-C 3.39Å; L759-C762 PolarHBondContact O-N 2.95Å; C762-F764 PolarHBondContact O-N 2.81Å
763	S	93.2	Very high	92.4	Very high	29 Å²	29	40 Å²	40	20%	0.203	20%	0.2	C	C	.	.			trans	-48.5	131.7	176.5	-63.7	0	0	0	0	113	L759 D760 C761 Q765 R769	L759-S763 PolarHBondContact O-N 3.08Å; L759-S763 VanDerWaalsContact O-N 3.1Å; D760-S763 WeakPolarHBondContact O-CB 3.1Å; D760-S763 PolarHBondContact O-OG 3.28Å; C761-S763 VanDerWaalsContact C-N 3.27Å; C761-S763 PolarHBondContact O-N 3.1Å; S763-Q765 PolarHBondContact O-N 3.42Å; S763-R769 PolarHBondContact O-NE 3.1Å; S763-R769 PolarHBondContact O-NH2 3.2Å
764	F	90.6	Very high	92.8	Very high	50 Å²	50	38.8 Å²	38.8	22%	0.219	20%	0.195	C	C	.	.	S	Bend	trans	-61.7	-44.5	179.3	-63.6	-51.1	0	0	0	112.5	P687 G737 L739 K740 C762 R766 R769	P687-F764 HydrophobicContact CG-CD1 3.9Å; G737-F764 WeakPolarHBondContact O-CE2 3.32Å; L739-F764 WeakPolarHBondContact O-CE1 3.37Å; K740-F764 HydrophobicContact CB-CE1 4.29Å; K740-F764 HydrophobicContact CB-CZ 3.84Å; C762-F764 PolarHBondContact O-N 2.81Å; F764-R766 PolarHBondContact O-N 2.8Å; F764-R769 PolarHBondContact O-NH2 3.38Å
765	Q	90.3	Very high	93.1	Very high	125 Å²	125	38.9 Å²	38.9	58%	0.584	20%	0.195	S	C	*	.	S	Bend	trans	-74.6	118.9	168.4	-69	174.4	-8.2	0	0	109.1	S763 E767 N768	S763-Q765 PolarHBondContact O-N 3.42Å; Q765-E767 VanDerWaalsContact C-N 3.27Å; Q765-E767 PolarHBondContact O-N 2.86Å; Q765-N768 PolarHBondContact O-N 2.94Å; Q765-N768 PolarHBondContact OE1-ND2 3.03Å
766	R	93.2	Very high	93.3	Very high	83 Å²	83	39.9 Å²	39.9	31%	0.313	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-65.4	-30.9	-175.5	67.2	-179.6	-176.5	-162.5	-7.1	112.7	L701 F764 N768 R769	L701-R766 HydrophobicContact CB-CB 4.06Å; L701-R766 HydrophobicContact CD1-CB 4.46Å; L701-R766 HydrophobicContact CD1-CG 4.36Å; F764-R766 PolarHBondContact O-N 2.8Å; R766-N768 PolarHBondContact O-N 3.37Å; R766-R769 WeakPolarHBondContact O-CB 3.4Å; R766-R769 WeakPolarHBondContact O-CG 3.34Å; R766-R769 PolarHBondContact O-N 2.83Å; R766-R769 VanDerWaalsContact O-N 3.08Å
767	E	91.7	Very high	93.5	Very high	122 Å²	122	39.1 Å²	39.1	57%	0.57	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-63.9	-22	-179.6	-69.7	69.4	-155.5	0	0	113.2	Q765	Q765-E767 VanDerWaalsContact C-N 3.27Å; Q765-E767 PolarHBondContact O-N 2.86Å
768	N	91.5	Very high	93.4	Very high	86 Å²	86	41.1 Å²	41.1	46%	0.46	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-85	-10.8	177.4	-60.9	-18	0	0	0	112.8	Q765 R766	Q765-N768 PolarHBondContact O-N 2.94Å; Q765-N768 PolarHBondContact OE1-ND2 3.03Å; R766-N768 PolarHBondContact O-N 3.37Å
769	R	95	Very high	93.4	Very high	5 Å²	5	41.1 Å²	41.1	2%	0.019	21%	0.213	C	C	.	.	S	Bend	trans	-78.3	130.4	-177.2	-56.5	176.6	-167.2	144.6	13.2	110.7	E688 L701 V704 C761 S763 F764 R766	E688-R769 IonicContact OE1-CZ 3.78Å; E688-R769 IonicContact OE1-NH1 3.01Å; E688-R769 PolarHBondContact OE1-NH1 3.33Å; E688-R769 IonicContact OE1-NH2 2.75Å; E688-R769 IonicContact OE2-CZ 2.75Å; E688-R769 IonicContact OE2-NH1 2.76Å; E688-R769 PolarHBondContact OE2-NH1 2.94Å; E688-R769 IonicContact OE2-NH2 3.63Å; E688-R769 PolarHBondContact OE2-NH2 3.12Å; L701-R769 HydrophobicContact CD2-CB 4.45Å; L701-R769 VanDerWaalsContact O-CD 3.32Å; L701-R769 WeakPolarHBondContact O-CD 3.4Å; L701-R769 PolarHBondContact O-NH1 2.91Å; V704-R769 HydrophobicContact CB-CB 4.44Å; V704-R769 HydrophobicContact CG1-CB 3.82Å; C761-R769 WeakPolarHBondContact O-CD 3.44Å; C761-R769 WeakPolarHBondContact O-CG 3.33Å; S763-R769 PolarHBondContact O-NE 3.1Å; S763-R769 PolarHBondContact O-NH2 3.2Å; F764-R769 PolarHBondContact O-NH2 3.38Å; R766-R769 WeakPolarHBondContact O-CB 3.4Å; R766-R769 WeakPolarHBondContact O-CG 3.34Å; R766-R769 PolarHBondContact O-N 2.83Å; R766-R769 VanDerWaalsContact O-N 3.08Å
770	P	94.3	Very high	93.5	Very high	12 Å²	12	40.7 Å²	40.7	8%	0.078	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-71	134.5	-179.9	28.1	-33.7	0	0	0	111.5	V704 L757 D760 I775	V704-P770 WeakPolarHBondContact CG1-O 3.23Å; L757-P770 HydrophobicContact CD1-CG 4.34Å; D760-P770 HydrophobicContact CB-CG 4.38Å; P770-I775 HydrophobicContact CB-CG1 4.2Å; P770-I775 HydrophobicContact CG-CD1 4.37Å; P770-I775 HydrophobicContact CG-CG1 4.06Å; P770-I775 VanDerWaalsContact O-CD1 3.3Å; P770-I775 WeakPolarHBondContact O-CD1 3.44Å
771	P	96.4	Very high	93.4	Very high	44 Å²	44	40.9 Å²	40.9	29%	0.286	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-72.1	154.4	174.4	30.6	-35.9	0	0	0	111.8	S773 Q774 I775	P771-S773 PolarHBondContact O-N 2.92Å; P771-Q774 HydrophobicContact CG-CG 4.26Å; P771-Q774 VanDerWaalsContact CG-NE2 3.29Å; P771-Q774 WeakPolarHBondContact O-CB 3.1Å; P771-Q774 PolarHBondContact O-N 2.73Å; P771-I775 PolarHBondContact O-N 2.83Å
772	F	97.6	Very high	93	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-54.7	-31.9	-174.7	-78.1	-80.4	0	0	0	115.1	M631 D632 H635 L644 D703 V704 Y707 Q774 I775 Y776	M631-F772 HydrophobicContact CB-CD1 3.53Å; M631-F772 HydrophobicContact CB-CD2 3.79Å; M631-F772 HydrophobicContact CB-CE1 3.42Å; M631-F772 VanDerWaalsContact CB-CE1 3.42Å; M631-F772 HydrophobicContact CB-CE2 3.67Å; M631-F772 HydrophobicContact CB-CG 3.71Å; M631-F772 HydrophobicContact CB-CZ 3.47Å; M631-F772 VanDerWaalsContact CB-CZ 3.47Å; M631-F772 HydrophobicContact CE-CE2 4.03Å; M631-F772 HydrophobicContact CE-CZ 4.33Å; M631-F772 HydrophobicContact CG-CD1 4.47Å; M631-F772 HydrophobicContact CG-CE1 3.88Å; M631-F772 HydrophobicContact CG-CE2 4.19Å; M631-F772 HydrophobicContact CG-CZ 3.7Å; D632-F772 HydrophobicContact CB-CB 3.86Å; H635-F772 AromaticContact CE1-CD2 3.47Å; H635-F772 VanDerWaalsContact CE1-CD2 3.47Å; H635-F772 WeakPolarHBondContact CE1-CD2 3.26Å; H635-F772 AromaticContact CE1-CE2 3.61Å; H635-F772 AromaticContact ND1-CD2 3.47Å; H635-F772 WeakPolarHBondContact ND1-CD2 3.28Å; L644-F772 HydrophobicContact CD2-CZ 4.47Å; D703-F772 HydrophobicContact CB-CE2 4.42Å; V704-F772 HydrophobicContact CB-CE2 4.42Å; V704-F772 HydrophobicContact CG2-CD2 3.74Å; V704-F772 HydrophobicContact CG2-CE2 3.52Å; V704-F772 HydrophobicContact CG2-CZ 4.27Å; Y707-F772 AromaticContact CD1-CE1 3.55Å; Y707-F772 HydrophobicContact CD1-CE1 3.55Å; Y707-F772 AromaticContact CD1-CZ 3.92Å; Y707-F772 HydrophobicContact CD1-CZ 3.92Å; Y707-F772 AromaticContact CD2-CE1 3.99Å; Y707-F772 HydrophobicContact CD2-CE1 3.99Å; Y707-F772 HydrophobicContact CD2-CZ 4.29Å; Y707-F772 AromaticContact CE1-CE1 3.98Å; Y707-F772 HydrophobicContact CE1-CE1 3.98Å; Y707-F772 HydrophobicContact CE2-CE1 4.38Å; Y707-F772 AromaticContact CG-CE1 3.56Å; Y707-F772 HydrophobicContact CG-CE1 3.56Å; Y707-F772 AromaticContact CG-CZ 3.65Å; Y707-F772 HydrophobicContact CG-CZ 3.65Å; F772-Q774 PolarHBondContact O-N 3.1Å; F772-I775 HydrophobicContact CD1-CB 4.4Å; F772-I775 HydrophobicContact CD1-CD1 3.95Å; F772-I775 HydrophobicContact CD1-CG2 4.47Å; F772-I775 HydrophobicContact CE1-CD1 4.15Å; F772-I775 HydrophobicContact CG-CD1 4.28Å; F772-I775 PolarHBondContact O-N 3.41Å; F772-I775 VanDerWaalsContact O-N 3.1Å; F772-Y776 PolarHBondContact O-N 2.94Å
773	S	94.5	Very high	92.9	Very high	47 Å²	47	45.3 Å²	45.3	33%	0.329	23%	0.233	S	C	.	.	H	α-helix	trans	-61.7	-11.2	175.3	59.9	0	0	0	0	114.6	Y280 D632 P771 P777	Y280-S773 WeakPolarHBondContact CE2-O 3.42Å; Y280-S773 VanDerWaalsContact CZ-O 3.28Å; Y280-S773 PolarHBondContact OH-O 3.27Å; D632-S773 WeakPolarHBondContact OD1-CA 3.35Å; D632-S773 VanDerWaalsContact OD1-CB 3.29Å; D632-S773 WeakPolarHBondContact OD1-CB 3Å; D632-S773 PolarHBondContact OD1-N 2.84Å; P771-S773 PolarHBondContact O-N 2.92Å; S773-P777 WeakPolarHBondContact O-CD 3.28Å
774	Q	93.2	Very high	92.7	Very high	32 Å²	32	49.8 Å²	49.8	15%	0.15	25%	0.245	C	C	.	.	H	α-helix	trans	-108.9	-37.3	171.1	-60.3	169.9	33.7	0	0	112.4	Y280 H285 P771 F772 C778	Y280-Q774 HydrophobicContact CD1-CG 4.07Å; Y280-Q774 HydrophobicContact CD2-CB 4.05Å; Y280-Q774 HydrophobicContact CD2-CG 4.03Å; Y280-Q774 HydrophobicContact CE1-CG 4.11Å; Y280-Q774 HydrophobicContact CE2-CB 4.17Å; Y280-Q774 HydrophobicContact CE2-CG 4.04Å; Y280-Q774 HydrophobicContact CG-CB 4.42Å; Y280-Q774 HydrophobicContact CG-CG 4.02Å; H285-Q774 VanDerWaalsContact CB-OE1 3.31Å; H285-Q774 PolarHBondContact ND1-OE1 3.15Å; H285-Q774 PolarHBondContact O-NE2 2.94Å; P771-Q774 HydrophobicContact CG-CG 4.26Å; P771-Q774 VanDerWaalsContact CG-NE2 3.29Å; P771-Q774 WeakPolarHBondContact O-CB 3.1Å; P771-Q774 PolarHBondContact O-N 2.73Å; F772-Q774 PolarHBondContact O-N 3.1Å; Q774-C778 WeakPolarHBondContact O-CB 3.45Å; Q774-C778 PolarHBondContact O-N 3.3Å
775	I	96	Very high	92.5	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-57.5	-53.8	175.2	-60.4	179.6	0	0	0	110.8	V704 Y707 L757 P770 P771 F772 C778 L779	V704-I775 HydrophobicContact CG1-CD1 4.08Å; V704-I775 HydrophobicContact CG2-CD1 4.35Å; Y707-I775 HydrophobicContact CD1-CD1 4.13Å; Y707-I775 HydrophobicContact CD1-CG2 4.47Å; Y707-I775 HydrophobicContact CE1-CD1 4.26Å; Y707-I775 HydrophobicContact CE1-CG2 3.63Å; L757-I775 HydrophobicContact CD1-CG1 4.32Å; L757-I775 HydrophobicContact CD1-CG2 4.39Å; L757-I775 HydrophobicContact CD2-CG2 4.14Å; P770-I775 HydrophobicContact CB-CG1 4.2Å; P770-I775 HydrophobicContact CG-CD1 4.37Å; P770-I775 HydrophobicContact CG-CG1 4.06Å; P770-I775 VanDerWaalsContact O-CD1 3.3Å; P770-I775 WeakPolarHBondContact O-CD1 3.44Å; P771-I775 PolarHBondContact O-N 2.83Å; F772-I775 HydrophobicContact CD1-CB 4.4Å; F772-I775 HydrophobicContact CD1-CD1 3.95Å; F772-I775 HydrophobicContact CD1-CG2 4.47Å; F772-I775 HydrophobicContact CE1-CD1 4.15Å; F772-I775 HydrophobicContact CG-CD1 4.28Å; F772-I775 PolarHBondContact O-N 3.41Å; F772-I775 VanDerWaalsContact O-N 3.1Å; I775-C778 WeakPolarHBondContact O-CB 3.1Å; I775-C778 PolarHBondContact O-N 3.09Å; I775-C778 VanDerWaalsContact O-N 3.12Å; I775-L779 HydrophobicContact CG2-CD1 3.76Å; I775-L779 HydrophobicContact CG2-CG 4.46Å; I775-L779 PolarHBondContact O-N 2.83Å
776	Y	95.5	Very high	92.2	Very high	54 Å²	54	46.8 Å²	46.8	21%	0.212	24%	0.242	C	C	.	.	H	α-helix	trans	-60.9	-48.1	-173.4	164.2	-107.4	0	0	0	112.8	K625 S628 Q629 F772 C778 L779 D780	K625-Y776 HydrophobicContact CD-CE2 4.48Å; K625-Y776 HydrophobicContact CG-CD2 4.06Å; K625-Y776 HydrophobicContact CG-CE2 3.94Å; S628-Y776 WeakPolarHBondContact OG-CA 3.32Å; S628-Y776 WeakPolarHBondContact OG-CB 3.18Å; Q629-Y776 HydrophobicContact CB-CD2 3.65Å; Q629-Y776 HydrophobicContact CB-CE2 3.66Å; Q629-Y776 HydrophobicContact CB-CG 4.36Å; Q629-Y776 HydrophobicContact CG-CD2 4.03Å; Q629-Y776 HydrophobicContact CG-CE1 4.45Å; Q629-Y776 HydrophobicContact CG-CE2 3.65Å; F772-Y776 PolarHBondContact O-N 2.94Å; Y776-C778 VanDerWaalsContact C-N 3.28Å; Y776-C778 PolarHBondContact O-N 3.27Å; Y776-L779 PolarHBondContact O-N 2.74Å; Y776-D780 HydrophobicContact CE2-CB 4.43Å; Y776-D780 PolarHBondContact O-N 2.87Å
777	P	90.7	Very high	91.2	Very high	25 Å²	25	48 Å²	48	16%	0.162	26%	0.26	C	S	.	.	H	α-helix	trans	-65	-27.8	175	-26.8	39.1	0	0	0	114.2	Y280 S773 S781	Y280-P777 HydrophobicContact CE2-CB 4.07Å; Y280-P777 HydrophobicContact CE2-CG 3.99Å; S773-P777 WeakPolarHBondContact O-CD 3.28Å; P777-S781 WeakPolarHBondContact O-CB 3.04Å; P777-S781 PolarHBondContact O-N 3.05Å; P777-S781 VanDerWaalsContact O-N 3.1Å
778	C	90.4	Very high	89.5	Confident	55 Å²	55	49.7 Å²	49.7	37%	0.372	27%	0.266	S	S	.	.	H	α-helix	trans	-66.4	-45.9	172.1	-170.3	0	0	0	0	111.1	Q774 I775 Y776 S781 L782	Q774-C778 WeakPolarHBondContact O-CB 3.45Å; Q774-C778 PolarHBondContact O-N 3.3Å; I775-C778 WeakPolarHBondContact O-CB 3.1Å; I775-C778 PolarHBondContact O-N 3.09Å; I775-C778 VanDerWaalsContact O-N 3.12Å; Y776-C778 VanDerWaalsContact C-N 3.28Å; Y776-C778 PolarHBondContact O-N 3.27Å; C778-S781 PolarHBondContact O-N 2.76Å; C778-L782 WeakPolarHBondContact O-CB 3.5Å; C778-L782 PolarHBondContact O-N 2.97Å
779	L	94.2	Very high	87.3	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-69.7	-36.4	178.3	-72.8	171.8	0	0	0	113.5	A624 K625 Y707 L754 L757 I775 Y776 L782 Y783	A624-L779 HydrophobicContact CB-CD1 4.25Å; K625-L779 HydrophobicContact CB-CB 4Å; K625-L779 HydrophobicContact CG-CB 4.13Å; Y707-L779 WeakPolarHBondContact OH-CD1 3.21Å; L754-L779 HydrophobicContact CD1-CD2 3.76Å; L757-L779 HydrophobicContact CD2-CD1 3.99Å; L757-L779 HydrophobicContact CD2-CD2 3.68Å; L757-L779 HydrophobicContact CD2-CG 3.77Å; I775-L779 HydrophobicContact CG2-CD1 3.76Å; I775-L779 HydrophobicContact CG2-CG 4.46Å; I775-L779 PolarHBondContact O-N 2.83Å; Y776-L779 PolarHBondContact O-N 2.74Å; L779-L782 HydrophobicContact CD2-CD2 4.32Å; L779-L782 PolarHBondContact O-N 3.18Å; L779-Y783 VanDerWaalsContact O-CB 3.27Å; L779-Y783 WeakPolarHBondContact O-CB 3.3Å; L779-Y783 PolarHBondContact O-N 2.91Å
780	D	92.4	Very high	84.6	Confident	27 Å²	27	60.3 Å²	60.3	14%	0.144	32%	0.317	C	S	.	.	H	α-helix	trans	-68.2	-37.5	174.4	-172.9	54.1	0	0	0	111.5	K625 Y776 Y783 R784	K625-D780 HydrophobicContact CD-CB 4.08Å; K625-D780 HydrophobicContact CG-CB 4.32Å; Y776-D780 HydrophobicContact CE2-CB 4.43Å; Y776-D780 PolarHBondContact O-N 2.87Å; D780-Y783 PolarHBondContact O-N 3.25Å; D780-R784 VanDerWaalsContact CG-NE 3.33Å; D780-R784 WeakPolarHBondContact O-CB 3.1Å; D780-R784 WeakPolarHBondContact O-CG 3.25Å; D780-R784 PolarHBondContact O-N 2.85Å; D780-R784 IonicContact OD1-CZ 3.36Å; D780-R784 IonicContact OD1-NE 3.64Å; D780-R784 PolarHBondContact OD1-NE 2.92Å; D780-R784 IonicContact OD1-NH2 2.71Å; D780-R784 PolarHBondContact OD1-NH2 3.1Å; D780-R784 IonicContact OD2-CZ 2.69Å; D780-R784 IonicContact OD2-NE 3.91Å; D780-R784 PolarHBondContact OD2-NE 3.15Å; D780-R784 IonicContact OD2-NH2 2.65Å; D780-R784 PolarHBondContact OD2-NH2 3.35Å
781	S	89.1	Confident	81.8	Confident	52 Å²	52	69.5 Å²	69.5	36%	0.364	36%	0.356	S	S	.	.	H	α-helix	trans	-68	-38.7	172.5	-159.3	0	0	0	0	112.1	P777 C778 R784 S785	P777-S781 WeakPolarHBondContact O-CB 3.04Å; P777-S781 PolarHBondContact O-N 3.05Å; P777-S781 VanDerWaalsContact O-N 3.1Å; C778-S781 PolarHBondContact O-N 2.76Å; S781-R784 PolarHBondContact O-N 3.49Å; S781-S785 WeakPolarHBondContact O-CB 3.36Å; S781-S785 PolarHBondContact O-N 3.42Å; S781-S785 VanDerWaalsContact O-N 3.11Å; S781-S785 PolarHBondContact O-OG 3.15Å; S781-S785 VanDerWaalsContact O-OG 3.12Å
782	L	89.2	Confident	78.5	Confident	13 Å²	13	72.8 Å²	72.8	7%	0.068	38%	0.379	C	S	.	.	H	α-helix	trans	-60	-53	171.4	179	60.5	0	0	0	110.6	V621 P751 Q753 L754 C778 L779 R784 S785 L786	V621-L782 HydrophobicContact CG1-CD2 4.18Å; V621-L782 HydrophobicContact CG1-CG 4.19Å; V621-L782 HydrophobicContact CG2-CD2 4.19Å; P751-L782 HydrophobicContact CB-CD1 4.03Å; P751-L782 HydrophobicContact CB-CD2 4.39Å; P751-L782 HydrophobicContact CG-CD1 4.37Å; Q753-L782 HydrophobicContact CB-CD1 4.11Å; Q753-L782 HydrophobicContact CB-CD2 4.08Å; Q753-L782 HydrophobicContact CG-CD1 4.14Å; L754-L782 HydrophobicContact CB-CD2 4.29Å; C778-L782 WeakPolarHBondContact O-CB 3.5Å; C778-L782 PolarHBondContact O-N 2.97Å; L779-L782 HydrophobicContact CD2-CD2 4.32Å; L779-L782 PolarHBondContact O-N 3.18Å; L782-R784 VanDerWaalsContact C-N 3.31Å; L782-R784 PolarHBondContact O-N 3.31Å; L782-S785 WeakPolarHBondContact CA-OG 3.39Å; L782-S785 WeakPolarHBondContact O-CA 3.32Å; L782-S785 PolarHBondContact O-N 3.16Å; L782-S785 PolarHBondContact O-OG 2.96Å; L782-L786 PolarHBondContact O-N 3.18Å
783	Y	91.8	Very high	75.3	Confident	87 Å²	87	79 Å²	79	34%	0.341	42%	0.422	S	S	.	.	H	α-helix	trans	-56.7	-40.4	178.8	-175.9	-112.6	0	0	0	112.9	P618 V621 D622 K625 L779 D780 S785	P618-Y783 WeakPolarHBondContact O-CE2 3.43Å; V621-Y783 HydrophobicContact CG1-CD2 4.15Å; D622-Y783 HydrophobicContact CB-CD2 4.19Å; D622-Y783 HydrophobicContact CB-CE2 3.73Å; D622-Y783 WeakPolarHBondContact OD1-CE1 3.23Å; D622-Y783 VanDerWaalsContact OD1-CZ 3.25Å; K625-Y783 HydrophobicContact CD-CD1 4.27Å; K625-Y783 HydrophobicContact CD-CG 4.36Å; L779-Y783 VanDerWaalsContact O-CB 3.27Å; L779-Y783 WeakPolarHBondContact O-CB 3.3Å; L779-Y783 PolarHBondContact O-N 2.91Å; D780-Y783 PolarHBondContact O-N 3.25Å; Y783-S785 VanDerWaalsContact C-N 3.3Å; Y783-S785 PolarHBondContact O-N 3.08Å
784	R	89.2	Confident	72.7	Confident	124 Å²	124	81.6 Å²	81.6	47%	0.468	44%	0.44	S	S	.	.	H	α-helix	trans	-66.3	-28.3	174	-73	168.6	-162.7	-80.8	-14.7	113.9	D780 S781 L782	D780-R784 VanDerWaalsContact CG-NE 3.33Å; D780-R784 WeakPolarHBondContact O-CB 3.1Å; D780-R784 WeakPolarHBondContact O-CG 3.25Å; D780-R784 PolarHBondContact O-N 2.85Å; D780-R784 IonicContact OD1-CZ 3.36Å; D780-R784 IonicContact OD1-NE 3.64Å; D780-R784 PolarHBondContact OD1-NE 2.92Å; D780-R784 IonicContact OD1-NH2 2.71Å; D780-R784 PolarHBondContact OD1-NH2 3.1Å; D780-R784 IonicContact OD2-CZ 2.69Å; D780-R784 IonicContact OD2-NE 3.91Å; D780-R784 PolarHBondContact OD2-NE 3.15Å; D780-R784 IonicContact OD2-NH2 2.65Å; D780-R784 PolarHBondContact OD2-NH2 3.35Å; S781-R784 PolarHBondContact O-N 3.49Å; L782-R784 VanDerWaalsContact C-N 3.31Å; L782-R784 PolarHBondContact O-N 3.31Å
785	S	85.8	Confident	70	Confident	87 Å²	87	88.8 Å²	88.8	61%	0.608	47%	0.474	S	S	*	.	H	α-helix	trans	-92	-13.3	-177.5	65	0	0	0	0	114.5	S781 L782 Y783	S781-S785 WeakPolarHBondContact O-CB 3.36Å; S781-S785 PolarHBondContact O-N 3.42Å; S781-S785 VanDerWaalsContact O-N 3.11Å; S781-S785 PolarHBondContact O-OG 3.15Å; S781-S785 VanDerWaalsContact O-OG 3.12Å; L782-S785 WeakPolarHBondContact CA-OG 3.39Å; L782-S785 WeakPolarHBondContact O-CA 3.32Å; L782-S785 PolarHBondContact O-N 3.16Å; L782-S785 PolarHBondContact O-OG 2.96Å; Y783-S785 VanDerWaalsContact C-N 3.3Å; Y783-S785 PolarHBondContact O-N 3.08Å
786	L	83.7	Confident	67.1	Low	25 Å²	25	94.6 Å²	94.6	13%	0.131	51%	0.512	C	S	.	.	S	Bend	trans	-60.5	143.7	170.9	-70	179.3	0	0	0	111.5	V617 P618 V621 P751 L782 K788	V617-L786 HydrophobicContact CG1-CD1 4.35Å; V617-L786 HydrophobicContact CG1-CD2 4.17Å; P618-L786 HydrophobicContact CB-CD1 4.22Å; P618-L786 HydrophobicContact CG-CD1 4.41Å; V621-L786 HydrophobicContact CB-CD1 4.01Å; V621-L786 HydrophobicContact CG1-CD1 4.16Å; V621-L786 HydrophobicContact CG2-CD1 4.12Å; P751-L786 HydrophobicContact CG-CD2 4.07Å; L782-L786 PolarHBondContact O-N 3.18Å; L786-K788 PolarHBondContact O-N 3.18Å
787	P	73.6	Confident	63.9	Low	107 Å²	107	97.8 Å²	97.8	70%	0.695	53%	0.532	S	S	*	.			trans	-59.4	109.2	172.9	-23.4	34.2	0	0	0	111.3	L789	P787-L789 PolarHBondContact O-N 3.06Å; P787-L789 VanDerWaalsContact O-N 3.1Å
788	K	56	Low	61.3	Low	158 Å²	158	104.3 Å²	104.3	69%	0.687	56%	0.564	S	S	*	*			trans	-68.1	109.1	173	-64.7	-177.8	-172.7	179.4	0	108.7	L786 H790	L786-K788 PolarHBondContact O-N 3.18Å; K788-H790 PolarHBondContact O-N 3.48Å
789	L	44.3	Very low	58.5	Low	152 Å²	152	109 Å²	109	80%	0.796	59%	0.586	S	S	*	*			trans	-69	72.9	-179.7	-69.6	173.9	0	0	0	112.2	P787 K791	P787-L789 PolarHBondContact O-N 3.06Å; P787-L789 VanDerWaalsContact O-N 3.1Å; L789-K791 PolarHBondContact O-N 2.99Å
790	H	38.7	Very low	55.5	Low	163 Å²	163	111.7 Å²	111.7	76%	0.755	61%	0.614	S	S	*	*			trans	-68.6	124.2	156.2	-75.7	-102.5	0	0	0	108	K788 C792	K788-H790 PolarHBondContact O-N 3.48Å; H790-C792 PolarHBondContact O-N 3.25Å
791	K	35.4	Very low	52.6	Low	204 Å²	204	117.5 Å²	117.5	89%	0.887	65%	0.65	S	S	*	*	S	Bend	trans	-59.6	122.8	178.4	-74.2	-179.2	173.4	-179.9	0	110.4	L789	L789-K791 PolarHBondContact O-N 2.99Å
792	C	27.4	Very low	49.6	Very low	114 Å²	114	122.4 Å²	122.4	77%	0.77	67%	0.67	S	S	*	*			trans	54.1	95.5	163.1	-57.6	0	0	0	0	117	H790 S794	H790-C792 PolarHBondContact O-N 3.25Å; C792-S794 PolarHBondContact O-N 2.96Å
793	S	30.8	Very low	47.1	Very low	130 Å²	130	127 Å²	127	91%	0.909	70%	0.704	S	S	*	*			trans	-73.7	75.1	152	-60.6	0	0	0	0	110.2
794	S	40	Very low	44.1	Very low	103 Å²	103	134.4 Å²	134.4	72%	0.72	73%	0.731	S	S	*	*			trans	-68.3	144	162.5	52.8	0	0	0	0	109.9	C792	C792-S794 PolarHBondContact O-N 2.96Å
795	E	35.6	Very low	41.5	Very low	182 Å²	182	132 Å²	132	85%	0.85	75%	0.745	S	S	*	*			trans	-57.3	141.3	-168.4	-63.3	-175.8	123.9	0	0	114.7	N797	E795-N797 VanDerWaalsContact C-N 3.27Å; E795-N797 PolarHBondContact O-N 2.91Å
796	P	34.6	Very low	38.8	Very low	124 Å²	124	135.7 Å²	135.7	81%	0.805	76%	0.758	S	S	*	*			trans	-77.1	75.1	174	33.2	-35.2	0	0	0	111.9	I798	P796-I798 PolarHBondContact O-N 3.31Å
797	N	29.7	Very low	36.3	Very low	120 Å²	120	141.5 Å²	141.5	64%	0.642	79%	0.794	S	S	*	*			trans	37.1	79.6	152.6	-172.7	22.9	0	0	0	117.3	E795 N799	E795-N797 VanDerWaalsContact C-N 3.27Å; E795-N797 PolarHBondContact O-N 2.91Å; N797-N799 PolarHBondContact O-N 2.96Å; N797-N799 WeakPolarHBondContact OD1-CB 3.32Å; N797-N799 PolarHBondContact OD1-ND2 3.31Å
798	I	34.9	Very low	34.1	Very low	162 Å²	162	141.9 Å²	141.9	83%	0.831	80%	0.795	S	S	*	*			trans	-95.6	56.4	169.1	-37.8	178.9	0	0	0	110.8	P796 G800	P796-I798 PolarHBondContact O-N 3.31Å; I798-G800 VanDerWaalsContact C-N 3.34Å; I798-G800 PolarHBondContact O-N 2.82Å
799	N	31.4	Very low	32.6	Very low	155 Å²	155	141.9 Å²	141.9	83%	0.829	80%	0.8	S	S	*	*			trans	-74.2	84.5	173.5	-91.1	-48.8	0	0	0	111	N797	N797-N799 PolarHBondContact O-N 2.96Å; N797-N799 WeakPolarHBondContact OD1-CB 3.32Å; N797-N799 PolarHBondContact OD1-ND2 3.31Å
800	G	31	Very low	31.9	Very low	57 Å²	57	138.4 Å²	138.4	59%	0.588	80%	0.801	S	S	*	*			trans	-162.1	138	174.9	0	0	0	0	0	113	I798	I798-G800 VanDerWaalsContact C-N 3.34Å; I798-G800 PolarHBondContact O-N 2.82Å
801	V	32	Very low	31.3	Very low	148 Å²	148	136.2 Å²	136.2	90%	0.897	80%	0.804	S	S	*	*			trans	66.2	77.2	176.2	-163	0	0	0	0	115.4
802	I	27.5	Very low	31.2	Very low	156 Å²	156	131.7 Å²	131.7	80%	0.8	80%	0.798	S	S	*	*			trans	-103.7	121.7	151.2	-64.5	176.8	0	0	0	108.2
803	S	34.7	Very low	31.2	Very low	110 Å²	110	133.1 Å²	133.1	77%	0.769	80%	0.798	S	S	*	*			trans	-157.8	90.8	158.8	-79.6	0	0	0	0	107.9
804	R	29.8	Very low	31.2	Very low	242 Å²	242	134.3 Å²	134.3	91%	0.913	79%	0.794	S	S	*	*				66.4	94.5	93	-75	-175.3	172.1	172	-1.6	112.8
805	G	33.8	Very low	30.7	Very low	74 Å²	74	136.4 Å²	136.4	76%	0.763	79%	0.793	S	S	*	*			trans	-167.9	112.1	167.3	0	0	0	0	0	109.4
806	N	29.1	Very low	30.4	Very low	163 Å²	163	137.4 Å²	137.4	87%	0.872	79%	0.789	S	S	*	*			trans	-85.1	151.3	177.8	-62.8	-14.5	0	0	0	110.3
807	V	31.3	Very low	30.1	Very low	147 Å²	147	140.2 Å²	140.2	89%	0.891	80%	0.796	S	S	*	*				-176.4	152.1	126.4	142.8	0	0	0	0	109.7
808	T	28.7	Very low	29.9	Very low	116 Å²	116	141 Å²	141	71%	0.712	80%	0.798	S	S	*	*			trans	-99.1	140	-169.9	44.1	0	0	0	0	114.5
809	I	24.8	Very low	29.5	Very low	158 Å²	158	142.3 Å²	142.3	81%	0.81	80%	0.803	S	S	*	*			trans	47.6	113.4	139.5	-51	171.4	0	0	0	117.7
810	G	29.1	Very low	29.3	Very low	78 Å²	78	141.1 Å²	141.1	80%	0.804	80%	0.797	S	S	*	*			trans	-146.2	130.5	156.5	0	0	0	0	0	109.8
811	S	26.5	Very low	29.1	Very low	118 Å²	118	145.5 Å²	145.5	83%	0.825	80%	0.802	S	S	*	*			trans	-104.9	121.8	-171.2	-57.1	0	0	0	0	113.1
812	S	32	Very low	29	Very low	108 Å²	108	147.2 Å²	147.2	76%	0.755	80%	0.798	S	S	*	*			trans	-169.7	113.1	148.4	57.6	0	0	0	0	113.3
813	N	28.2	Very low	28.9	Very low	145 Å²	145	146.7 Å²	146.7	78%	0.775	80%	0.797	S	S	*	*			trans	21	142	143.8	-52.8	-8.9	0	0	0	121.9
814	N	30.3	Very low	28.7	Very low	155 Å²	155	146.6 Å²	146.6	83%	0.829	79%	0.788	S	S	*	*			trans	76.2	143.1	162.4	-51.4	-19.2	0	0	0	115.4
815	E	30.5	Very low	28.8	Very low	147 Å²	147	143.3 Å²	143.3	69%	0.687	78%	0.78	S	S	*	*			cis	-131.7	155.1	6.9	-73.5	-170.8	95.9	0	0	113.8
816	R	27.9	Very low	28.5	Very low	203 Å²	203	149.9 Å²	149.9	77%	0.766	78%	0.782	S	S	*	*			trans	37.7	111	142.9	-66.5	168.8	161.5	144.4	-13.2	120.4
817	L	28.6	Very low	28.5	Very low	183 Å²	183	150 Å²	150	96%	0.958	78%	0.781	S	S	*	*				-133.7	151.6	126.6	-93.8	176.9	0	0	0	109.3
818	I	26.1	Very low	28.4	Very low	135 Å²	135	148.4 Å²	148.4	69%	0.692	77%	0.766	S	S	*	*			trans	-111.2	122.9	-164.8	-60.4	164.5	0	0	0	110.8
819	M	26.5	Very low	28.5	Very low	190 Å²	190	149.7 Å²	149.7	94%	0.936	77%	0.774	S	S	*	*			trans	-161.7	101.4	144.5	-83	-145.1	174.9	0	0	108.6
820	D	26.3	Very low	28.6	Very low	130 Å²	130	149 Å²	149	70%	0.695	77%	0.772	S	S	*	*			trans	-90	152.4	-175.3	-65	-56.8	0	0	0	113.2
821	E	26.9	Very low	28.7	Very low	150 Å²	150	155.3 Å²	155.3	70%	0.701	78%	0.777	S	S	*	*			trans	36.6	144	138.2	-52.3	-177	130.1	0	0	120.7
822	F	29.8	Very low	28.7	Very low	183 Å²	183	155 Å²	155	80%	0.803	78%	0.775	S	S	*	*			cis	-141.4	152.9	35.8	-97.9	-89.1	0	0	0	114.3
823	N	25.2	Very low	28.6	Very low	145 Å²	145	154 Å²	154	78%	0.775	77%	0.774	S	S	*	*			trans	-114.5	-163.2	167.1	-157.4	-14	0	0	0	108.9
824	D	30.9	Very low	28.5	Very low	109 Å²	109	153.1 Å²	153.1	58%	0.583	77%	0.773	S	S	*	*			trans	72.3	146.3	171.5	-81.1	-6.5	0	0	0	117.5
825	K	31.9	Very low	28.4	Very low	173 Å²	173	151.5 Å²	151.5	75%	0.752	77%	0.769	S	S	*	*			cis	-137.1	136.7	-11.3	-86.2	129.4	176.3	117.2	0	106.4
826	R	28.3	Very low	28.2	Very low	211 Å²	211	150.4 Å²	150.4	80%	0.796	77%	0.772	S	S	*	*				61.7	90.1	60.8	-85.1	-166.9	173.6	-173.4	1.1	116.9
827	I	29.4	Very low	28.1	Very low	167 Å²	167	146.3 Å²	146.3	86%	0.856	77%	0.77	S	S	*	*			trans	-147.9	108.1	135.7	-55.3	-175.5	0	0	0	104.3
828	I	28.4	Very low	28	Very low	113 Å²	113	144.8 Å²	144.8	58%	0.579	76%	0.763	S	S	*	*				76	99.8	51.1	-54.8	173.4	0	0	0	113.8
829	T	30.9	Very low	27.9	Very low	143 Å²	143	149.4 Å²	149.4	88%	0.877	77%	0.773	S	S	*	*				-148.7	139.1	119.4	33.4	0	0	0	0	109
830	N	27.6	Very low	28.1	Very low	143 Å²	143	148.4 Å²	148.4	77%	0.765	77%	0.771	S	S	*	*			trans	-106.5	156.2	-173.2	-59.8	-38.3	0	0	0	111.8
831	K	30.3	Very low	27.9	Very low	211 Å²	211	147.3 Å²	147.3	92%	0.917	77%	0.773	S	S	*	*			trans	-155.1	112.8	133.5	-110	170.3	-174.7	-178.5	0	109.5
832	S	26.6	Very low	28.1	Very low	112 Å²	112	148.5 Å²	148.5	78%	0.783	78%	0.784	S	S	*	*			trans	-147.9	142.5	179.2	-52.8	0	0	0	0	109.9
833	A	29.6	Very low	27.9	Very low	87 Å²	87	145 Å²	145	72%	0.719	78%	0.782	S	S	*	*			trans	-135.1	128.2	160	0	0	0	0	0	105.6
834	T	27.4	Very low	28.4	Very low	125 Å²	125	143.9 Å²	143.9	77%	0.767	78%	0.782	S	S	*	*			cis	59.4	131.8	44.6	78.9	0	0	0	0	111.9
835	V	26.7	Very low	28.3	Very low	122 Å²	122	148.7 Å²	148.7	74%	0.739	80%	0.798	S	S	*	*			cis	-151.3	161.8	-5.1	92.9	0	0	0	0	107.4
836	T	27.5	Very low	28.1	Very low	123 Å²	123	146.9 Å²	146.9	76%	0.755	80%	0.802	S	S	*	*				-176.3	144.2	84.8	-43.3	0	0	0	0	110.1
837	T	24.6	Very low	28.2	Very low	117 Å²	117	141.4 Å²	141.4	72%	0.718	79%	0.794	S	S	*	*			trans	-91.9	164.9	170.5	46.1	0	0	0	0	111.8
838	N	27.7	Very low	28.2	Very low	152 Å²	152	142.3 Å²	142.3	81%	0.813	79%	0.791	S	S	*	*			trans	-162.1	115.1	136	-101.9	-28.9	0	0	0	112
839	Y	24.4	Very low	28.2	Very low	232 Å²	232	142.6 Å²	142.6	91%	0.91	79%	0.794	S	S	*	*			trans	-107.2	125.5	161.7	-95.6	-92	0	0	0	107.4
840	L	29.1	Very low	28.2	Very low	169 Å²	169	141.1 Å²	141.1	89%	0.885	78%	0.781	S	S	*	*			trans	-136.3	121.2	160.1	-86	174.8	0	0	0	109.3
841	S	23.8	Very low	28.4	Very low	106 Å²	106	139.9 Å²	139.9	74%	0.741	78%	0.775	S	S	*	*			trans	-93.9	151.4	162.1	54.7	0	0	0	0	109.2
842	L	29.4	Very low	28.5	Very low	176 Å²	176	135.6 Å²	135.6	92%	0.921	76%	0.762	S	S	*	*			trans	-169.2	158.1	144.9	-104.6	158.6	0	0	0	110.1
843	S	27.5	Very low	28.9	Very low	109 Å²	109	137.2 Å²	137.2	76%	0.762	76%	0.756	S	S	*	*			trans	-100	160.9	-167	-57.3	0	0	0	0	112.9
844	P	33.8	Very low	29	Very low	122 Å²	122	138.6 Å²	138.6	79%	0.792	75%	0.752	S	S	*	*			trans	-91.4	162	-163.3	36.1	-37.3	0	0	0	114.8
845	K	30.4	Very low	29	Very low	210 Å²	210	139.7 Å²	139.7	91%	0.913	75%	0.753	S	S	*	*			trans	-161.6	129.5	148.8	-105	156.7	-171.8	177.5	0	110.5
846	T	27.1	Very low	29.2	Very low	135 Å²	135	138.8 Å²	138.8	83%	0.828	75%	0.752	S	S	*	*			trans	-89.9	168.5	162.6	57.8	0	0	0	0	109.2
847	P	30.3	Very low	29.2	Very low	96 Å²	96	137.9 Å²	137.9	62%	0.623	75%	0.751	S	S	*	*				-151.2	-178.6	88.5	31.7	-9.1	0	0	0	115.6
848	F	28.9	Very low	29.4	Very low	185 Å²	185	140 Å²	140	81%	0.811	76%	0.757	S	S	*	*			trans	70.5	143.1	163	-69.1	-59.8	0	0	0	118.4
849	N	29.8	Very low	29.2	Very low	119 Å²	119	141.2 Å²	141.2	64%	0.636	76%	0.759	S	S	*	*			cis	-155	164.8	-11.8	-156.2	14.5	0	0	0	113.9
850	N	30.8	Very low	29.4	Very low	113 Å²	113	138.3 Å²	138.3	60%	0.604	76%	0.758	S	S	*	*			trans	62.5	113.4	149.8	-83.6	3.6	0	0	0	122.4
851	N	31.2	Very low	29.2	Very low	117 Å²	117	137.9 Å²	137.9	63%	0.626	75%	0.749	S	S	*	*				95.4	110.2	117.1	-66.2	-1.3	0	0	0	122.6
852	N	32.1	Very low	29.4	Very low	121 Å²	121	143 Å²	143	65%	0.647	76%	0.759	S	S	*	*				93.9	110.4	119.8	-70.8	4.9	0	0	0	122
853	H	34.3	Very low	29.3	Very low	145 Å²	145	138.2 Å²	138.2	67%	0.671	74%	0.736	S	S	*	*				86.6	112.2	125.8	-75.3	-47.3	0	0	0	121.8
854	N	31.9	Very low	29.3	Very low	117 Å²	117	139.2 Å²	139.2	63%	0.626	73%	0.733	S	S	*	*				80.2	102.8	122.4	-60.8	-0.5	0	0	0	120.3
855	N	28.3	Very low	29.1	Very low	147 Å²	147	143.2 Å²	143.2	79%	0.786	73%	0.732	S	S	*	*				78.9	153.5	121.3	-69.9	-5.3	0	0	0	121.7
856	S	30.8	Very low	29	Very low	103 Å²	103	141.8 Å²	141.8	72%	0.72	73%	0.726	S	S	*	*			trans	64.5	93.5	156	47.2	0	0	0	0	118.9
857	S	27	Very low	29	Very low	104 Å²	104	143.4 Å²	143.4	73%	0.727	73%	0.729	S	S	*	*				85	149.3	116.9	-54.2	0	0	0	0	120.1
858	N	28.1	Very low	28.8	Very low	161 Å²	161	143.1 Å²	143.1	86%	0.861	73%	0.725	S	S	*	*			trans	77.9	148	163.3	-58.5	-7.3	0	0	0	117.6
859	E	25	Very low	28.9	Very low	179 Å²	179	140.5 Å²	140.5	84%	0.836	72%	0.72	S	S	*	*			trans	-71.2	142.1	-168.2	-53.6	173.7	127.8	0	0	112
860	L	27.1	Very low	28.9	Very low	171 Å²	171	140.8 Å²	140.8	90%	0.895	73%	0.726	S	S	*	*			trans	-133	125.1	159.9	-91.2	175.1	0	0	0	110.7
861	F	25.7	Very low	28.8	Very low	160 Å²	160	141 Å²	141	70%	0.702	73%	0.731	S	S	*	*			trans	-74.9	133.1	172.2	-70.9	-134.4	0	0	0	109.9	T863	F861-T863 HydrophobicContact CB-CG2 3.55Å; F861-T863 HydrophobicContact CD1-CG2 4.38Å; F861-T863 HydrophobicContact CG-CG2 4.37Å; F861-T863 PolarHBondContact O-OG1 2.62Å
862	F	28.3	Very low	28.8	Very low	214 Å²	214	140.6 Å²	140.6	94%	0.939	73%	0.733	S	S	*	*			trans	-95.1	92.4	136.9	-83	-89.1	0	0	0	105.2
863	T	26.9	Very low	28.6	Very low	74 Å²	74	141.3 Å²	141.3	45%	0.454	74%	0.738	S	S	.	*				45.4	121.6	52.2	64.3	0	0	0	0	115.7	F861	F861-T863 HydrophobicContact CB-CG2 3.55Å; F861-T863 HydrophobicContact CD1-CG2 4.38Å; F861-T863 HydrophobicContact CG-CG2 4.37Å; F861-T863 PolarHBondContact O-OG1 2.62Å
864	N	27.9	Very low	28.3	Very low	130 Å²	130	141.8 Å²	141.8	70%	0.695	74%	0.742	S	S	*	*			trans	70.8	148.3	142.5	-68.5	-35.3	0	0	0	118.5
865	R	30.1	Very low	28.1	Very low	206 Å²	206	142 Å²	142	78%	0.777	75%	0.748	S	S	*	*			cis	-149.6	155	4	-135.3	168.5	-152.8	-174.7	4.2	111.7
866	K	26.8	Very low	28.3	Very low	181 Å²	181	139.4 Å²	139.4	79%	0.787	74%	0.741	S	S	*	*			trans	-58.3	141.9	148.8	-79	-174.6	174.5	-174.8	0	108.5
867	L	28.3	Very low	28.3	Very low	169 Å²	169	143 Å²	143	89%	0.885	75%	0.746	S	S	*	*			trans	-138.8	98.1	148.7	-103.5	161.2	0	0	0	107.4
868	T	26.8	Very low	28.5	Very low	89 Å²	89	143.1 Å²	143.1	55%	0.546	75%	0.747	S	S	.	*			trans	-79.2	-179.7	157.9	41.3	0	0	0	0	109
869	D	30.1	Very low	28.5	Very low	131 Å²	131	140.3 Å²	140.3	70%	0.701	74%	0.74	S	S	*	*			trans	82.7	80.2	154.4	-45.7	-44.6	0	0	0	119.1
870	T	28.9	Very low	28.8	Very low	124 Å²	124	136.8 Å²	136.8	76%	0.761	74%	0.735	S	S	*	*				77.3	157.5	124.3	4.6	0	0	0	0	123.3
871	T	29.2	Very low	28.9	Very low	117 Å²	117	135.7 Å²	135.7	72%	0.718	73%	0.73	S	S	*	*			trans	80.3	107.7	151.3	40.8	0	0	0	0	121.7
872	T	30.9	Very low	29.3	Very low	109 Å²	109	135.6 Å²	135.6	67%	0.669	74%	0.735	S	S	*	*				77.4	105.5	129.2	56.1	0	0	0	0	123
873	N	27.6	Very low	29.4	Very low	137 Å²	137	132.1 Å²	132.1	73%	0.733	73%	0.726	S	S	*	*				76.8	155.3	116.4	-63.8	-5.6	0	0	0	122.7
874	M	29.1	Very low	29.6	Very low	154 Å²	154	137.6 Å²	137.6	76%	0.759	74%	0.744	S	S	*	*			trans	70.9	111.4	174.5	-50.2	-55.9	168.9	0	0	114.4
875	T	27.5	Very low	29.9	Very low	123 Å²	123	140.4 Å²	140.4	76%	0.755	75%	0.753	S	S	*	*				61	137	61.1	78.6	0	0	0	0	112.1
876	S	32	Very low	29.9	Very low	91 Å²	91	135.4 Å²	135.4	64%	0.636	75%	0.749	S	S	*	*			cis	-167.4	158.7	17.6	42.1	0	0	0	0	112.7
877	H	31.9	Very low	30.1	Very low	178 Å²	178	133.4 Å²	133.4	82%	0.824	75%	0.753	S	S	*	*			trans	55	162.3	152.1	-58.3	-43.7	0	0	0	118.7
878	S	30.9	Very low	30.2	Very low	107 Å²	107	132.1 Å²	132.1	75%	0.748	75%	0.747	S	S	*	*			cis	-168	164.8	0.6	24.7	0	0	0	0	107.6
879	S	27.6	Very low	30.1	Very low	103 Å²	103	134.4 Å²	134.4	72%	0.72	76%	0.761	S	S	*	*			cis	-175.6	-170.6	-15.7	-84.4	0	0	0	0	107.7
880	S	31.8	Very low	30	Very low	105 Å²	105	133.5 Å²	133.5	73%	0.734	76%	0.76	S	S	*	*			trans	79.2	148.3	168.5	83.4	0	0	0	0	117.6
881	N	29.8	Very low	29.9	Very low	147 Å²	147	134.1 Å²	134.1	79%	0.786	76%	0.757	S	S	*	*			cis	-165.7	178	-19.9	-103	-14.6	0	0	0	109.1
882	I	32.3	Very low	29.6	Very low	158 Å²	158	134.7 Å²	134.7	81%	0.81	76%	0.755	S	S	*	*			trans	75.7	127.9	169.1	-53.6	167	0	0	0	114.7
883	D	31.6	Very low	29.4	Very low	141 Å²	141	136.2 Å²	136.2	75%	0.754	76%	0.757	S	S	*	*			cis	-154.5	177.2	-21.3	-127.1	-48.8	0	0	0	112.9
884	K	31.4	Very low	29.3	Very low	189 Å²	189	136.1 Å²	136.1	82%	0.822	76%	0.757	S	S	*	*			trans	-99.6	141.3	-163.4	-59.7	162	-179.4	169.4	0	116.3
885	Q	32.5	Very low	29.3	Very low	189 Å²	189	137.2 Å²	137.2	88%	0.883	76%	0.759	S	S	*	*			trans	-177.8	141	144.8	-101.7	167.3	34.9	0	0	109.2
886	S	31.4	Very low	29.4	Very low	101 Å²	101	136 Å²	136	71%	0.706	76%	0.756	S	S	*	*			cis	171.7	83.7	-20.9	47.6	0	0	0	0	109.1
887	T	31.4	Very low	29.2	Very low	140 Å²	140	136.6 Å²	136.6	86%	0.859	76%	0.76	S	S	*	*			trans	-150.1	144.8	154.3	42.6	0	0	0	0	110.8
888	N	29.1	Very low	29.1	Very low	142 Å²	142	133.2 Å²	133.2	76%	0.759	76%	0.757	S	S	*	*			trans	-69.2	157.7	172.9	-58.3	-21.2	0	0	0	109.7
889	T	25.9	Very low	29.1	Very low	137 Å²	137	133.4 Å²	133.4	84%	0.84	76%	0.758	S	S	*	*			cis	-141	103.7	36.3	-59.6	0	0	0	0	114.3
890	T	26.6	Very low	29.2	Very low	112 Å²	112	133.4 Å²	133.4	69%	0.687	76%	0.758	S	S	*	*				-90.2	-178.2	112.8	0.3	0	0	0	0	107.4
891	I	28.3	Very low	29.2	Very low	136 Å²	136	133.2 Å²	133.2	70%	0.697	76%	0.757	S	S	*	*			cis	-146	-179.2	32.2	-9.3	-179.9	0	0	0	106.6
892	I	22.6	Very low	29.3	Very low	130 Å²	130	131.7 Å²	131.7	67%	0.667	76%	0.757	S	S	*	*			cis	-129.9	133.1	33.7	-60.8	173.4	0	0	0	110.1	D894	I892-D894 HydrophobicContact CG2-CB 3.94Å
893	I	26	Very low	29.5	Very low	140 Å²	140	129.3 Å²	129.3	72%	0.718	75%	0.752	S	S	*	*			trans	-131.7	81.4	148.4	-56.6	-177.9	0	0	0	106.5	H895	I893-H895 PolarHBondContact O-N 2.85Å
894	D	26	Very low	29.5	Very low	135 Å²	135	130.9 Å²	130.9	72%	0.722	76%	0.76	S	S	*	*			trans	-84.3	92.6	170.4	-82.3	-40.5	0	0	0	109.3	I892 S896	I892-D894 HydrophobicContact CG2-CB 3.94Å; D894-S896 PolarHBondContact O-N 3.48Å
895	H	28.8	Very low	29.6	Very low	177 Å²	177	129 Å²	129	82%	0.819	75%	0.754	S	S	*	*			trans	-86.6	80	161.7	-84.1	-58.8	0	0	0	110.3	I893	I893-H895 PolarHBondContact O-N 2.85Å
896	S	29	Very low	29.6	Very low	97 Å²	97	127.3 Å²	127.3	68%	0.678	75%	0.75	S	S	*	*			trans	-162.5	110	149.5	42.9	0	0	0	0	114.5	D894	D894-S896 PolarHBondContact O-N 3.48Å
897	S	29.4	Very low	29.7	Very low	105 Å²	105	125.5 Å²	125.5	73%	0.734	74%	0.737	S	S	*	*			trans	43.3	121.2	141.1	57.1	0	0	0	0	122.2
898	S	29.4	Very low	29.9	Very low	106 Å²	106	125.3 Å²	125.3	74%	0.741	73%	0.731	S	S	*	*				100.3	126	129.1	74	0	0	0	0	120.4
899	S	29.5	Very low	30.1	Very low	112 Å²	112	124.6 Å²	124.6	78%	0.783	73%	0.727	S	S	*	*			trans	48.4	126.6	151.8	49.6	0	0	0	0	118.9
900	S	30.5	Very low	30.5	Very low	103 Å²	103	123.2 Å²	123.2	72%	0.72	72%	0.719	S	S	*	*			cis	-167.4	151.8	32.2	54.3	0	0	0	0	113.8
901	S	31.8	Very low	30.8	Very low	101 Å²	101	123.5 Å²	123.5	71%	0.706	72%	0.72	S	S	*	*			trans	26.3	143.7	141.8	61.9	0	0	0	0	121.7
902	S	32.7	Very low	30.8	Very low	114 Å²	114	122.2 Å²	122.2	80%	0.797	72%	0.719	S	S	*	*			cis	-168.8	169.1	-1.6	-98.9	0	0	0	0	110
903	P	35.5	Very low	31.2	Very low	108 Å²	108	121.1 Å²	121.1	70%	0.701	72%	0.719	S	S	*	*			trans	-104.4	163.5	-163.5	39.5	-35.9	0	0	0	116.3
904	L	31.3	Very low	31.4	Very low	175 Å²	175	119.5 Å²	119.5	92%	0.916	72%	0.715	S	S	*	*			trans	-138.7	122.4	147.8	-68	176.5	0	0	0	106.2
905	H	33.6	Very low	31.5	Very low	149 Å²	149	118.9 Å²	118.9	69%	0.69	72%	0.716	S	S	*	*			cis	96.2	99.9	25.8	-156	-47.4	0	0	0	113.6
906	L	33.2	Very low	31.5	Very low	153 Å²	153	115.8 Å²	115.8	80%	0.801	71%	0.71	S	S	*	*			trans	171.5	124.2	149.1	-113.6	66.1	0	0	0	105.1
907	S	32.8	Very low	31.5	Very low	63 Å²	63	116.4 Å²	116.4	44%	0.441	71%	0.71	S	S	.	*			cis	69.1	130.2	28.8	105.6	0	0	0	0	110.5
908	D	35.5	Very low	31.6	Very low	137 Å²	137	116.5 Å²	116.5	73%	0.733	71%	0.707	S	S	*	*			cis	-146.9	-160.4	11.2	-60.1	-78.8	0	0	0	108.7
909	D	34.5	Very low	31.7	Very low	126 Å²	126	117.6 Å²	117.6	67%	0.674	70%	0.704	S	S	*	*			cis	-165.5	163.3	-2.2	-144.9	-20.9	0	0	0	112
910	T	33.5	Very low	31.9	Very low	108 Å²	108	117.5 Å²	117.5	66%	0.663	70%	0.695	S	S	*	*			trans	57.4	166.8	150.2	67.5	0	0	0	0	120.7
911	T	32.6	Very low	32.1	Very low	118 Å²	118	118.2 Å²	118.2	72%	0.724	69%	0.69	S	S	*	*			cis	-147.5	170	-12.2	1.8	0	0	0	0	112.1
912	T	29.3	Very low	32.3	Very low	110 Å²	110	119.1 Å²	119.1	68%	0.675	69%	0.688	S	S	*	*			trans	-30.6	176.9	159.4	60.7	0	0	0	0	118.1
913	T	30.8	Very low	32.3	Very low	107 Å²	107	119.3 Å²	119.3	66%	0.656	68%	0.68	S	S	*	*			cis	-167.4	129.8	37.1	-17.9	0	0	0	0	113.7
914	T	28.7	Very low	32.2	Very low	105 Å²	105	119 Å²	119	64%	0.644	68%	0.676	S	S	*	*			trans	40.9	137.6	134.6	59.7	0	0	0	0	124.3
915	T	28.4	Very low	32.5	Very low	122 Å²	122	116.8 Å²	116.8	75%	0.748	67%	0.665	S	S	*	*			trans	71	159.6	135.4	56.2	0	0	0	0	119.5
916	T	29.7	Very low	32.5	Very low	112 Å²	112	115.3 Å²	115.3	69%	0.687	66%	0.662	S	S	*	*			cis	-149.4	160.5	10.8	-15.2	0	0	0	0	112.2
917	T	28.7	Very low	32.7	Very low	111 Å²	111	113.4 Å²	113.4	68%	0.681	65%	0.653	S	S	*	*			trans	-2.1	154.1	148.4	59.6	0	0	0	0	119.8
918	T	31.3	Very low	32.9	Very low	107 Å²	107	116.1 Å²	116.1	66%	0.656	66%	0.662	S	S	*	*				-172.1	153.2	57.7	3.2	0	0	0	0	112.7
919	N	31.8	Very low	32.9	Very low	128 Å²	128	114.8 Å²	114.8	68%	0.684	66%	0.659	S	S	*	*			trans	66.1	148.1	141.8	-65.6	4.6	0	0	0	119.1
920	N	34.3	Very low	32.8	Very low	111 Å²	111	117.1 Å²	117.1	59%	0.594	67%	0.666	S	S	*	*			cis	-159.6	150.5	-1	-120.3	-2	0	0	0	110.1
921	N	34.7	Very low	32.8	Very low	117 Å²	117	120.2 Å²	120.2	63%	0.626	67%	0.673	S	S	*	*			trans	51.3	148.3	132.5	-60.8	-0.8	0	0	0	119.7
922	N	35.3	Very low	32.8	Very low	121 Å²	121	122 Å²	122	65%	0.647	67%	0.673	S	S	*	*			cis	-177.2	162.8	3.1	-110.2	2.3	0	0	0	105.9
923	N	33.5	Very low	33	Very low	118 Å²	118	123.3 Å²	123.3	63%	0.631	68%	0.681	S	S	*	*			cis	-168.1	175	-12.2	-135.6	-7.2	0	0	0	106.8
924	T	33.5	Very low	32.9	Very low	102 Å²	102	122.6 Å²	122.6	63%	0.626	67%	0.673	S	S	*	*			trans	50.5	136.3	143.2	60.7	0	0	0	0	120
925	N	35.8	Very low	32.9	Very low	128 Å²	128	127.1 Å²	127.1	68%	0.684	68%	0.678	S	S	*	*			cis	-177.6	166.8	17.8	-103.2	7.2	0	0	0	106.2
926	N	35.6	Very low	33	Very low	117 Å²	117	127.8 Å²	127.8	63%	0.626	68%	0.682	S	S	*	*			cis	-164.9	162.9	4.1	-122.3	4.5	0	0	0	111.4
927	N	36.5	Very low	32.7	Very low	113 Å²	113	131.3 Å²	131.3	60%	0.604	70%	0.696	S	S	*	*			trans	66.5	141.3	147.8	-65.5	37.2	0	0	0	119.8
928	D	36.6	Very low	32.7	Very low	120 Å²	120	130.4 Å²	130.4	64%	0.642	69%	0.694	S	S	*	*			cis	-158.7	153	-6.7	-101.6	-21.3	0	0	0	111.8
929	T	35.8	Very low	32.4	Very low	109 Å²	109	131 Å²	131	67%	0.669	70%	0.702	S	S	*	*			trans	31.5	144.8	148.2	62.9	0	0	0	0	121.6
930	E	32.9	Very low	32.2	Very low	176 Å²	176	129.6 Å²	129.6	82%	0.822	70%	0.703	S	S	*	*			cis	-164.5	168	-2.3	-105.5	157.5	-173.1	0	0	105
931	E	33.1	Very low	31.8	Very low	173 Å²	173	131.2 Å²	131.2	81%	0.808	71%	0.71	S	S	*	*			cis	-151.9	-176	26.6	-152.4	-176	167.6	0	0	110.8
932	H	32.2	Very low	31.4	Very low	155 Å²	155	132.2 Å²	132.2	72%	0.718	71%	0.713	S	S	*	*			trans	-50.4	159.7	-180	-71.4	-83.8	0	0	0	116
933	V	33	Very low	30.9	Very low	138 Å²	138	133.5 Å²	133.5	84%	0.836	72%	0.715	S	S	*	*			cis	-145	148.5	45.1	176.1	0	0	0	0	115
934	D	29.7	Very low	30.5	Very low	92 Å²	92	134.3 Å²	134.3	49%	0.492	72%	0.724	S	S	.	*			trans	-38.1	143.2	176.6	-82.1	-41	0	0	0	121.8
935	R	28.3	Very low	30.1	Very low	200 Å²	200	134.6 Å²	134.6	76%	0.755	73%	0.726	S	S	*	*				50.9	116.8	129.2	-53.1	167.3	-145.6	169.3	19.4	119.4
936	T	30.5	Very low	29.6	Very low	136 Å²	136	133.7 Å²	133.7	83%	0.834	73%	0.73	S	S	*	*				-166.7	141	89.8	17.1	0	0	0	0	112.4	S938	T936-S938 PolarHBondContact O-N 3.45Å
937	L	24	Very low	29.1	Very low	186 Å²	186	133.7 Å²	133.7	97%	0.974	74%	0.739	S	S	*	*			trans	-76.2	114.5	166.8	-80.6	158.2	0	0	0	108.8
938	S	28.8	Very low	28.6	Very low	91 Å²	91	134.9 Å²	134.9	64%	0.636	75%	0.754	S	S	*	*			trans	-130.9	114.8	170.7	-175.2	0	0	0	0	110.6	T936 S940	T936-S938 PolarHBondContact O-N 3.45Å; S938-S940 PolarHBondContact O-N 3.13Å; S938-S940 PolarHBondContact O-OG 3.12Å
939	S	25.3	Very low	28.1	Very low	120 Å²	120	134.7 Å²	134.7	84%	0.839	76%	0.762	S	S	*	*			trans	-49.7	117.4	173.4	49.6	0	0	0	0	111.2
940	S	26.6	Very low	27.7	Very low	99 Å²	99	134.7 Å²	134.7	69%	0.692	77%	0.767	S	S	*	*			trans	-120.8	94.7	-173.8	-64.7	0	0	0	0	110.7	S938 I942	S938-S940 PolarHBondContact O-N 3.13Å; S938-S940 PolarHBondContact O-OG 3.12Å; S940-I942 PolarHBondContact O-N 3.22Å
941	I	25.8	Very low	27.4	Very low	145 Å²	145	131.7 Å²	131.7	74%	0.744	77%	0.765	S	S	*	*			trans	-72.7	109.1	170.6	-58.8	172.1	0	0	0	107.6	H943	I941-H943 VanDerWaalsContact C-N 3.35Å; I941-H943 PolarHBondContact O-N 2.62Å
942	I	26.5	Very low	27.2	Very low	137 Å²	137	129.4 Å²	129.4	70%	0.703	77%	0.765	S	S	*	*			trans	-79.5	84	-179.7	-54	-176.8	0	0	0	110	S940 V944	S940-I942 PolarHBondContact O-N 3.22Å; I942-V944 HydrophobicContact CG2-CG2 3.9Å; I942-V944 PolarHBondContact O-N 2.98Å
943	H	25.4	Very low	27.1	Very low	149 Å²	149	127.9 Å²	127.9	69%	0.69	77%	0.769	S	S	*	*			trans	-74.9	103.8	166.6	-106.5	-84.3	0	0	0	110.4	I941 T945	I941-H943 VanDerWaalsContact C-N 3.35Å; I941-H943 PolarHBondContact O-N 2.62Å; H943-T945 VanDerWaalsContact C-N 3.3Å; H943-T945 PolarHBondContact O-N 2.99Å
944	V	25.4	Very low	26.9	Very low	134 Å²	134	124.6 Å²	124.6	81%	0.812	75%	0.753	S	S	*	*			trans	-84.2	71.1	175.3	-170.7	0	0	0	0	110.4	I942	I942-V944 HydrophobicContact CG2-CG2 3.9Å; I942-V944 PolarHBondContact O-N 2.98Å
945	T	24.2	Very low	27	Very low	109 Å²	109	124.8 Å²	124.8	67%	0.669	76%	0.759	S	S	*	*			trans	-139.4	79	-179.4	53.6	0	0	0	0	113.6	H943	H943-T945 VanDerWaalsContact C-N 3.3Å; H943-T945 PolarHBondContact O-N 2.99Å
946	S	25.9	Very low	27	Very low	109 Å²	109	118.4 Å²	118.4	76%	0.762	75%	0.745	S	S	*	*			trans	-163.7	113.6	157.5	43.9	0	0	0	0	108.8
947	S	25.9	Very low	26.9	Very low	116 Å²	116	116.7 Å²	116.7	81%	0.811	74%	0.738	S	S	*	*				70.5	78.9	70.9	78.4	0	0	0	0	114.4
948	C	24.5	Very low	27.1	Very low	138 Å²	138	115.7 Å²	115.7	93%	0.932	73%	0.732	S	S	*	*			trans	-129.8	145.2	157.1	-104.3	0	0	0	0	109.8
949	S	26.6	Very low	27.2	Very low	116 Å²	116	116.5 Å²	116.5	81%	0.811	73%	0.733	S	S	*	*			trans	-94.5	121.4	-155.8	55.1	0	0	0	0	115.4
950	S	26.4	Very low	27.4	Very low	109 Å²	109	117 Å²	117	76%	0.762	73%	0.727	S	S	*	*				176	149.6	128.7	45.8	0	0	0	0	111.9
951	S	26.6	Very low	27.6	Very low	113 Å²	113	121.1 Å²	121.1	79%	0.79	74%	0.735	S	S	*	*			trans	73.1	120.9	-179.5	-41.9	0	0	0	0	115.9
952	P	30.6	Very low	28	Very low	125 Å²	125	121.6 Å²	121.6	81%	0.812	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-84.6	153.6	176.8	34.1	-34.6	0	0	0	113.1
953	P	29.1	Very low	28.3	Very low	123 Å²	123	120.2 Å²	120.2	80%	0.799	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-89.9	168.7	-177	36.9	-37.1	0	0	0	114.3
954	S	29.6	Very low	28.6	Very low	70 Å²	70	117.8 Å²	117.8	49%	0.49	72%	0.716	S	S	.	*	P	Polyproline II helix	trans	-85.7	145.3	170.9	46.3	0	0	0	0	112.9	E612	E612-S954 VanDerWaalsContact CD-CB 3.4Å; E612-S954 VanDerWaalsContact CD-OG 3.3Å; E612-S954 WeakPolarHBondContact OE1-CB 3.42Å; E612-S954 PolarHBondContact OE1-OG 3.36Å; E612-S954 WeakPolarHBondContact OE2-CB 3.46Å
955	P	30.6	Very low	28.8	Very low	95 Å²	95	115.2 Å²	115.2	62%	0.617	70%	0.698	S	S	*	*			trans	-123.6	117.1	173.3	36.1	-23.4	0	0	0	114	R614	R614-P955 PolarHBondContact NH2-O 3.45Å
956	S	28.3	Very low	29.4	Very low	67 Å²	67	116.3 Å²	116.3	47%	0.469	70%	0.698	S	S	.	*			trans	-168.1	46.5	148.7	49.1	0	0	0	0	116
957	S	29.9	Very low	29.8	Very low	99 Å²	99	114.7 Å²	114.7	69%	0.692	68%	0.683	S	S	*	*			trans	-145.8	136.7	156.3	60.7	0	0	0	0	111.1	V959	S957-V959 PolarHBondContact O-N 3.13Å
958	I	27.3	Very low	30.1	Very low	165 Å²	165	116 Å²	116	85%	0.846	68%	0.682	S	S	*	*			trans	-86.5	83.9	174.4	-58	176.2	0	0	0	107.2	N960	I958-N960 PolarHBondContact O-N 3.42Å
959	V	31.5	Very low	30.8	Very low	109 Å²	109	115.5 Å²	115.5	66%	0.661	68%	0.68	S	S	*	*			trans	-75.3	119	163.8	-178.4	0	0	0	0	106.9	S957 E961	S957-V959 PolarHBondContact O-N 3.13Å; V959-E961 PolarHBondContact O-N 3.44Å
960	N	29	Very low	30.9	Very low	130 Å²	130	117.2 Å²	117.2	70%	0.695	67%	0.672	S	S	*	*			trans	-66.6	114.6	167.6	-73	-38.8	0	0	0	108.1	I958 R962	I958-N960 PolarHBondContact O-N 3.42Å; N960-R962 PolarHBondContact O-N 3.47Å
961	E	31.5	Very low	31.4	Very low	186 Å²	186	116.1 Å²	116.1	87%	0.869	66%	0.657	S	S	*	*			trans	-68.6	78.4	172.4	-68.8	-174.1	138.4	0	0	110.5	V959 T963	V959-E961 PolarHBondContact O-N 3.44Å; E961-T963 PolarHBondContact O-N 2.89Å
962	R	32.9	Very low	31.8	Very low	154 Å²	154	117.1 Å²	117.1	58%	0.581	66%	0.658	S	S	*	*			trans	-69.5	97.9	161.6	-78.3	-175.7	169.9	-172	-4.4	107.9	E61 N960 I964	E61-R962 VanDerWaalsContact CD-NH2 3.3Å; E61-R962 IonicContact OE1-NH2 3.71Å; E61-R962 PolarHBondContact OE1-NH2 3.08Å; E61-R962 IonicContact OE2-CZ 3.6Å; E61-R962 IonicContact OE2-NH1 3.63Å; E61-R962 PolarHBondContact OE2-NH1 3Å; E61-R962 IonicContact OE2-NH2 2.72Å; E61-R962 PolarHBondContact OE2-NH2 3.26Å; N960-R962 PolarHBondContact O-N 3.47Å; R962-I964 PolarHBondContact O-N 3.37Å; R962-I964 VanDerWaalsContact O-N 3.11Å
963	T	33.2	Very low	31.9	Very low	109 Å²	109	116.8 Å²	116.8	67%	0.669	65%	0.651	S	S	*	*			trans	-67	106.1	169.4	-57.3	0	0	0	0	108	E961 L965	E961-T963 PolarHBondContact O-N 2.89Å; T963-L965 HydrophobicContact CG2-CD2 4.45Å; T963-L965 HydrophobicContact CG2-CG 4.46Å; T963-L965 PolarHBondContact O-N 3.17Å
964	I	32.2	Very low	32	Very low	97 Å²	97	116.4 Å²	116.4	50%	0.497	64%	0.643	S	S	.	*			trans	-70.1	117.3	174.7	-58.2	179.2	0	0	0	107.8	R962 I971	R962-I964 PolarHBondContact O-N 3.37Å; R962-I964 VanDerWaalsContact O-N 3.11Å; I964-I971 HydrophobicContact CG2-CG2 3.66Å
965	L	29.8	Very low	32.2	Very low	80 Å²	80	119 Å²	119	42%	0.419	65%	0.651	S	S	.	*			trans	-100.8	113.8	178.7	-76.7	169.5	0	0	0	109.7	T963 V972	T963-L965 HydrophobicContact CG2-CD2 4.45Å; T963-L965 HydrophobicContact CG2-CG 4.46Å; T963-L965 PolarHBondContact O-N 3.17Å; L965-V972 HydrophobicContact CB-CB 4.08Å; L965-V972 PolarHBondContact N-O 3.48Å; L965-V972 PolarHBondContact O-N 3.35Å
966	I	36.2	Very low	32.3	Very low	133 Å²	133	120.4 Å²	120.4	68%	0.682	65%	0.653	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.8	113.2	171.9	-57.3	177.3	0	0	0	107.9	K970	I966-K970 WeakPolarHBondContact CA-O 3.47Å
967	V	35.3	Very low	32.5	Very low	74 Å²	74	123.8 Å²	123.8	45%	0.448	67%	0.665	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.3	125.6	179.2	-175.2	0	0	0	0	108.3	S969 K970	V967-S969 VanDerWaalsContact C-N 3.3Å; V967-S969 PolarHBondContact O-N 2.61Å; V967-K970 PolarHBondContact N-O 3.35Å; V967-K970 WeakPolarHBondContact O-CA 3.19Å; V967-K970 WeakPolarHBondContact O-CB 3.11Å; V967-K970 PolarHBondContact O-N 3.49Å
968	D	32.2	Very low	32.7	Very low	144 Å²	144	125.4 Å²	125.4	77%	0.77	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.4	48.1	176.8	-55.4	-26.4	0	0	0	114.2	K970	D968-K970 PolarHBondContact O-N 3.21Å; D968-K970 VanDerWaalsContact O-N 3.15Å
969	S	37.3	Very low	33.1	Very low	128 Å²	128	122.6 Å²	122.6	90%	0.895	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	58.2	21	-176.6	-58.8	0	0	0	0	115.1	V967	V967-S969 VanDerWaalsContact C-N 3.3Å; V967-S969 PolarHBondContact O-N 2.61Å
970	K	29.7	Very low	33.2	Very low	151 Å²	151	123.6 Å²	123.6	66%	0.657	65%	0.649	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.9	145.4	170.2	-63	171.4	-174.2	169.3	0	109.8	I966 V967 D968	I966-K970 WeakPolarHBondContact CA-O 3.47Å; V967-K970 PolarHBondContact N-O 3.35Å; V967-K970 WeakPolarHBondContact O-CA 3.19Å; V967-K970 WeakPolarHBondContact O-CB 3.11Å; V967-K970 PolarHBondContact O-N 3.49Å; D968-K970 PolarHBondContact O-N 3.21Å; D968-K970 VanDerWaalsContact O-N 3.15Å
971	I	37.6	Very low	33.5	Very low	87 Å²	87	123.1 Å²	123.1	45%	0.446	65%	0.645	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.5	125.7	173.2	-59.2	176.8	0	0	0	107.6	I964	I964-I971 HydrophobicContact CG2-CG2 3.66Å
972	V	34.9	Very low	33.7	Very low	134 Å²	134	117.4 Å²	117.4	81%	0.812	63%	0.625	S	S	*	*			trans	-116.7	0	177.9	-177.8	0	0	0	0	109.5	L965	L965-V972 HydrophobicContact CB-CB 4.08Å; L965-V972 PolarHBondContact N-O 3.48Å; L965-V972 PolarHBondContact O-N 3.35Å

Retrieved 972 of 972 residues in 722.4 ms (Link to these results)

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