A0A077ZB62_TRITR Loading...

DUF667 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZB62, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 192 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	88.2	Confident	92.6	Very high	102 Å²	102	76.9 Å²	76.9	50%	0.502	39%	0.388	S	S	.	.				0	-50.5	0	-171.1	-179.1	176.7	0	0	110.6	L24 T68 L69	M1-L24 HydrophobicContact CE-CD1 3.57Å; M1-L24 HydrophobicContact CE-CD2 3.19Å; M1-L24 HydrophobicContact CE-CG 3.93Å; M1-L24 HydrophobicContact SD-CD1 4.06Å; M1-L24 HydrophobicContact SD-CD2 4.11Å; M1-L24 HydrophobicContact SD-CG 4.48Å; M1-T68 PolarHBondContact N-O 2.78Å; M1-L69 PolarHBondContact N-O 2.64Å
2	F	93.8	Very high	92.8	Very high	21 Å²	21	74.3 Å²	74.3	9%	0.092	38%	0.382	C	S	.	.			trans	-102.8	3.9	-175.7	-66	-86	0	0	0	114.6	N4 T5 Q7 L11 V13 L24 L69 I71	F2-N4 PolarHBondContact O-N 3.12Å; F2-N4 VanDerWaalsContact O-N 3.1Å; F2-T5 HydrophobicContact CD1-CG2 4.45Å; F2-T5 VanDerWaalsContact O-CB 3.31Å; F2-T5 WeakPolarHBondContact O-CB 3.44Å; F2-T5 PolarHBondContact O-N 3.49Å; F2-T5 PolarHBondContact O-OG1 3.39Å; F2-Q7 PolarHBondContact O-NE2 2.81Å; F2-L11 HydrophobicContact CB-CD2 4.4Å; F2-L11 HydrophobicContact CD1-CD1 4.17Å; F2-L11 HydrophobicContact CD1-CD2 4.03Å; F2-L11 HydrophobicContact CD1-CG 4.48Å; F2-L11 HydrophobicContact CE1-CD1 4.3Å; F2-L11 HydrophobicContact CG-CD2 4.27Å; F2-V13 HydrophobicContact CE2-CG1 4.15Å; F2-V13 HydrophobicContact CZ-CG1 4.24Å; F2-L24 HydrophobicContact CZ-CD1 3.98Å; F2-L69 HydrophobicContact CD2-CD2 3.73Å; F2-L69 HydrophobicContact CE2-CD2 3.59Å; F2-L69 PolarHBondContact N-O 3.4Å; F2-I71 HydrophobicContact CB-CD1 4.43Å; F2-I71 HydrophobicContact CB-CG1 3.8Å; F2-I71 HydrophobicContact CD2-CD1 3.91Å; F2-I71 HydrophobicContact CD2-CG1 4.12Å; F2-I71 HydrophobicContact CE2-CD1 4.45Å; F2-I71 HydrophobicContact CG-CD1 4.22Å; F2-I71 HydrophobicContact CG-CG1 4.12Å
3	R	91.8	Very high	93	Very high	143 Å²	143	69.1 Å²	69.1	54%	0.54	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-32.2	-175.7	-72.8	-170.7	175.5	163.1	1.9	114.3	E150	R3-E150 IonicContact CZ-OE1 2.61Å; R3-E150 IonicContact NE-OE1 3.46Å; R3-E150 PolarHBondContact NE-OE1 2.88Å; R3-E150 IonicContact NE-OE2 3.61Å; R3-E150 PolarHBondContact NE-OE2 2.9Å; R3-E150 IonicContact NH2-OE1 3.76Å; R3-E150 PolarHBondContact NH2-OE1 3.15Å; R3-E150 IonicContact NH2-OE2 2.94Å
4	N	90.1	Very high	93.3	Very high	167 Å²	167	64.4 Å²	64.4	89%	0.893	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	8.3	-179.8	-59.4	-18.7	0	0	0	112.6	F2	F2-N4 PolarHBondContact O-N 3.12Å; F2-N4 VanDerWaalsContact O-N 3.1Å
5	T	90.8	Very high	93.4	Very high	67 Å²	67	64.2 Å²	64.2	41%	0.411	33%	0.325	S	S	.	.	S	Bend	trans	-88.6	151.8	174.1	-49.7	0	0	0	0	108.9	F2 Q7 L11	F2-T5 HydrophobicContact CD1-CG2 4.45Å; F2-T5 VanDerWaalsContact O-CB 3.31Å; F2-T5 WeakPolarHBondContact O-CB 3.44Å; F2-T5 PolarHBondContact O-N 3.49Å; F2-T5 PolarHBondContact O-OG1 3.39Å; T5-Q7 WeakPolarHBondContact O-CG 3.5Å; T5-Q7 PolarHBondContact O-N 3.4Å; T5-L11 HydrophobicContact CG2-CD1 4.38Å
6	F	91.4	Very high	93.4	Very high	169 Å²	169	60.5 Å²	60.5	74%	0.741	31%	0.307	S	S	*	.			trans	-65.1	125.7	168.8	-175.5	-106.3	0	0	0	109.8	S8	F6-S8 VanDerWaalsContact CE1-CB 3.47Å; F6-S8 VanDerWaalsContact CZ-CB 3.45Å
7	Q	93.3	Very high	93.3	Very high	39 Å²	39	61.4 Å²	61.4	18%	0.182	31%	0.312	C	S	.	.			trans	-123.2	65.8	-174.5	-60.6	-177.7	22.5	0	0	110.5	F2 T5 L11 G70 I71 M73	F2-Q7 PolarHBondContact O-NE2 2.81Å; T5-Q7 WeakPolarHBondContact O-CG 3.5Å; T5-Q7 PolarHBondContact O-N 3.4Å; Q7-L11 HydrophobicContact CG-CD2 4.37Å; Q7-G70 PolarHBondContact NE2-O 2.93Å; Q7-I71 VanDerWaalsContact OE1-CA 3.3Å; Q7-M73 HydrophobicContact CB-CE 4.42Å; Q7-M73 HydrophobicContact CB-CG 4.24Å
8	S	92.4	Very high	93	Very high	60 Å²	60	59.8 Å²	59.8	42%	0.42	31%	0.314	S	S	.	.	S	Bend	trans	-138.3	152.1	175	-173.2	0	0	0	0	109	F6 L10	F6-S8 VanDerWaalsContact CE1-CB 3.47Å; F6-S8 VanDerWaalsContact CZ-CB 3.45Å; S8-L10 PolarHBondContact O-N 3.46Å
9	G	95.6	Very high	92.8	Very high	15 Å²	15	65.7 Å²	65.7	16%	0.155	35%	0.346	C	S	.	.	S	Bend	trans	70.2	-111.4	-171.3	0	0	0	0	0	112.2	A168 D169 Y172	G9-A168 VanDerWaalsContact O-CA 3.3Å; G9-A168 WeakPolarHBondContact O-CA 3.33Å; G9-D169 WeakPolarHBondContact CA-OD2 2.94Å; G9-D169 PolarHBondContact N-OD2 2.87Å; G9-D169 PolarHBondContact O-N 3.13Å; G9-D169 VanDerWaalsContact O-N 3.09Å; G9-Y172 WeakPolarHBondContact CA-OH 3.49Å
10	L	95.7	Very high	92.8	Very high	41 Å²	41	70 Å²	70	22%	0.215	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135	-175.6	-59.1	174.1	0	0	0	110.9	S8 Y166 F167 A168 Y172 L177 P178 F181	S8-L10 PolarHBondContact O-N 3.46Å; L10-Y166 HydrophobicContact CD2-CD2 4.04Å; L10-Y166 HydrophobicContact CD2-CE2 3.89Å; L10-F167 CarbonylContact C-O 3.53Å; L10-F167 WeakPolarHBondContact CA-O 3.13Å; L10-A168 HydrophobicContact CD2-CB 3.67Å; L10-Y172 HydrophobicContact CD2-CD2 3.76Å; L10-Y172 HydrophobicContact CD2-CE2 3.75Å; L10-Y172 HydrophobicContact CG-CE2 4.31Å; L10-L177 HydrophobicContact CD1-CD2 3.91Å; L10-L177 HydrophobicContact CD2-CD2 4.31Å; L10-P178 VanDerWaalsContact CD1-CD 3.44Å; L10-P178 HydrophobicContact CD1-CG 4.08Å; L10-F181 HydrophobicContact CB-CE1 4.25Å; L10-F181 HydrophobicContact CB-CE2 4.14Å; L10-F181 HydrophobicContact CB-CZ 3.9Å; L10-F181 HydrophobicContact CD1-CD1 4.38Å; L10-F181 HydrophobicContact CD1-CD2 3.67Å; L10-F181 HydrophobicContact CD1-CE2 3.9Å; L10-F181 HydrophobicContact CD1-CG 3.94Å; L10-F181 HydrophobicContact CD1-CZ 4.35Å
11	L	95.4	Very high	92.8	Very high	22 Å²	22	68 Å²	68	12%	0.115	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	107.5	174.7	-178.3	67.9	0	0	0	110.5	F2 T5 Q7 I71 M73 Y166 F167	F2-L11 HydrophobicContact CB-CD2 4.4Å; F2-L11 HydrophobicContact CD1-CD1 4.17Å; F2-L11 HydrophobicContact CD1-CD2 4.03Å; F2-L11 HydrophobicContact CD1-CG 4.48Å; F2-L11 HydrophobicContact CE1-CD1 4.3Å; F2-L11 HydrophobicContact CG-CD2 4.27Å; T5-L11 HydrophobicContact CG2-CD1 4.38Å; Q7-L11 HydrophobicContact CG-CD2 4.37Å; L11-I71 HydrophobicContact CD2-CD1 3.83Å; L11-I71 HydrophobicContact CD2-CG1 3.9Å; L11-I71 HydrophobicContact CD2-CG2 4.26Å; L11-M73 HydrophobicContact CB-CE 3.15Å; L11-M73 HydrophobicContact CD2-CE 3.93Å; L11-M73 HydrophobicContact CG-CE 4.18Å; L11-Y166 CarbonylContact O-C 3.58Å; L11-Y166 VanDerWaalsContact O-CA 3.23Å; L11-Y166 WeakPolarHBondContact O-CA 3.32Å; L11-Y166 WeakPolarHBondContact O-CB 3.38Å; L11-F167 HydrophobicContact CB-CB 4.46Å; L11-F167 PolarHBondContact N-O 3.15Å; L11-F167 PolarHBondContact O-N 3.01Å
12	S	95	Very high	93.1	Very high	45 Å²	45	64.1 Å²	64.1	32%	0.315	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	130.8	174.9	-172	0	0	0	0	111.5	F14	S12-F14 PolarHBondContact OG-O 2.92Å
13	V	95.8	Very high	93.2	Very high	7 Å²	7	69.3 Å²	69.3	4%	0.042	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	-17.2	171.2	-65.9	0	0	0	0	112.1	F2 W25 L69 I71 I154 V165 F167	F2-V13 HydrophobicContact CE2-CG1 4.15Å; F2-V13 HydrophobicContact CZ-CG1 4.24Å; V13-W25 HydrophobicContact CB-CZ2 4.36Å; V13-W25 HydrophobicContact CG2-CZ2 4.03Å; V13-W25 PolarHBondContact O-NE1 2.83Å; V13-L69 HydrophobicContact CG1-CD2 4.43Å; V13-I71 HydrophobicContact CG1-CD1 3.62Å; V13-I154 HydrophobicContact CG2-CD1 4.2Å; V13-V165 HydrophobicContact CG2-CB 3.84Å; V13-V165 HydrophobicContact CG2-CG1 3.63Å; V13-V165 WeakPolarHBondContact CG2-O 3.29Å; V13-V165 PolarHBondContact N-O 3Å; V13-F167 HydrophobicContact CG1-CD2 4.09Å; V13-F167 HydrophobicContact CG1-CE2 4.05Å; V13-F167 HydrophobicContact CG2-CE2 4.33Å
14	F	96.5	Very high	93.4	Very high	3 Å²	3	64.4 Å²	64.4	1%	0.013	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	132	173.2	169.6	-96.6	0	0	0	109.6	S12 P21 L22 W25 V47 L162 R163 S164 V165	S12-F14 PolarHBondContact OG-O 2.92Å; F14-P21 WeakPolarHBondContact CD2-O 3.22Å; F14-P21 HydrophobicContact CE2-CB 3.97Å; F14-L22 HydrophobicContact CD2-CD2 3.97Å; F14-L22 HydrophobicContact CE2-CD2 3.63Å; F14-L22 HydrophobicContact CE2-CG 4.39Å; F14-W25 HydrophobicContact CB-CZ2 3.64Å; F14-V47 HydrophobicContact CE2-CB 4.33Å; F14-V47 HydrophobicContact CE2-CG2 3.76Å; F14-V47 HydrophobicContact CZ-CB 3.78Å; F14-V47 HydrophobicContact CZ-CG2 3.5Å; F14-L162 HydrophobicContact CD1-CD2 3.68Å; F14-L162 HydrophobicContact CD1-CG 3.84Å; F14-L162 HydrophobicContact CE1-CB 4.07Å; F14-L162 HydrophobicContact CE1-CD2 3.64Å; F14-L162 HydrophobicContact CE1-CG 3.54Å; F14-L162 HydrophobicContact CG-CD2 4.26Å; F14-L162 HydrophobicContact CZ-CD2 4.15Å; F14-L162 HydrophobicContact CZ-CG 4.31Å; F14-R163 WeakPolarHBondContact CE1-O 3.16Å; F14-S164 VanDerWaalsContact O-CA 3.29Å; F14-S164 WeakPolarHBondContact O-CA 3.43Å; F14-V165 HydrophobicContact CB-CB 3.98Å; F14-V165 HydrophobicContact CB-CG2 4.16Å; F14-V165 HydrophobicContact CD1-CG2 4.17Å; F14-V165 PolarHBondContact N-O 2.67Å; F14-V165 PolarHBondContact O-N 2.8Å
15	Y	94.6	Very high	93.7	Very high	62 Å²	62	56.6 Å²	56.6	24%	0.243	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	121.8	169	-175.2	-138	0	0	0	110.3	L17 G18 P21 R163 E180	Y15-L17 VanDerWaalsContact C-N 3.29Å; Y15-L17 HydrophobicContact CD1-CB 4.07Å; Y15-L17 HydrophobicContact CE1-CB 3.6Å; Y15-L17 HydrophobicContact CE1-CD1 4.22Å; Y15-L17 HydrophobicContact CE1-CG 4.11Å; Y15-L17 HydrophobicContact CE2-CG 4.36Å; Y15-L17 PolarHBondContact O-N 2.9Å; Y15-L17 VanDerWaalsContact OH-CD1 3.29Å; Y15-L17 WeakPolarHBondContact OH-CD1 3.41Å; Y15-G18 PolarHBondContact O-N 3.05Å; Y15-P21 VanDerWaalsContact O-CB 3.32Å; Y15-P21 WeakPolarHBondContact O-CB 3.19Å; Y15-R163 PolarHBondContact OH-NH2 3.32Å; Y15-E180 HydrophobicContact CE1-CB 4.42Å; Y15-E180 WeakPolarHBondContact CE2-O 3.47Å
16	S	94	Very high	94	Very high	5 Å²	5	56.8 Å²	56.8	4%	0.035	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-25	-173.8	48.6	0	0	0	0	115.4	G18 P45 R163	S16-G18 VanDerWaalsContact C-N 3.31Å; S16-P45 WeakPolarHBondContact CB-O 3.31Å; S16-P45 PolarHBondContact OG-O 2.88Å; S16-R163 WeakPolarHBondContact CB-O 3.34Å; S16-R163 PolarHBondContact N-O 2.71Å; S16-R163 VanDerWaalsContact OG-CD 3.3Å; S16-R163 WeakPolarHBondContact OG-CD 3.48Å; S16-R163 PolarHBondContact OG-NH1 2.74Å; S16-R163 PolarHBondContact OG-O 2.78Å
17	L	91.6	Very high	94.3	Very high	76 Å²	76	53.8 Å²	53.8	40%	0.398	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-6	174.5	-62.2	-168.5	0	0	0	114.1	Y15 P45 R163	Y15-L17 VanDerWaalsContact C-N 3.29Å; Y15-L17 HydrophobicContact CD1-CB 4.07Å; Y15-L17 HydrophobicContact CE1-CB 3.6Å; Y15-L17 HydrophobicContact CE1-CD1 4.22Å; Y15-L17 HydrophobicContact CE1-CG 4.11Å; Y15-L17 HydrophobicContact CE2-CG 4.36Å; Y15-L17 PolarHBondContact O-N 2.9Å; Y15-L17 VanDerWaalsContact OH-CD1 3.29Å; Y15-L17 WeakPolarHBondContact OH-CD1 3.41Å; L17-P45 HydrophobicContact CD2-CB 3.99Å; L17-P45 HydrophobicContact CD2-CG 3.85Å; L17-R163 VanDerWaalsContact CD1-NH2 3.29Å; L17-R163 VanDerWaalsContact CD2-NH1 3.34Å
18	G	87.7	Confident	94.5	Very high	33 Å²	33	55.5 Å²	55.5	34%	0.34	29%	0.293	S	S	.	.	S	Bend	trans	-64.7	149.3	177.8	0	0	0	0	0	111.5	Y15 S16 K20 P21	Y15-G18 PolarHBondContact O-N 3.05Å; S16-G18 VanDerWaalsContact C-N 3.31Å; G18-K20 PolarHBondContact O-N 2.84Å; G18-K20 VanDerWaalsContact O-N 3.08Å; G18-P21 VanDerWaalsContact O-CD 3.29Å; G18-P21 WeakPolarHBondContact O-CD 3.3Å
19	N	88.9	Confident	94.6	Very high	171 Å²	171	56.3 Å²	56.3	91%	0.914	30%	0.296	S	S	*	.	S	Bend	trans	-54.8	-31.6	-179.9	-67.5	-22.5	0	0	0	113.8
20	K	92.6	Very high	94.5	Very high	151 Å²	151	61.5 Å²	61.5	66%	0.657	32%	0.316	S	S	*	.	S	Bend	trans	-138.4	76.3	176.1	-64.1	-174.8	179.6	-179.8	0	109.4	G18 L22 Q23	G18-K20 PolarHBondContact O-N 2.84Å; G18-K20 VanDerWaalsContact O-N 3.08Å; K20-L22 PolarHBondContact O-N 3.23Å; K20-L22 VanDerWaalsContact O-N 3.15Å; K20-Q23 HydrophobicContact CB-CB 3.93Å; K20-Q23 WeakPolarHBondContact O-CB 3.49Å; K20-Q23 VanDerWaalsContact O-CG 3.31Å; K20-Q23 WeakPolarHBondContact O-CG 3.49Å; K20-Q23 PolarHBondContact O-N 3.12Å; K20-Q23 VanDerWaalsContact O-N 3.1Å
21	P	93.3	Very high	94.3	Very high	28 Å²	28	66 Å²	66	18%	0.182	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-28.8	-165.1	26.8	-33.4	0	0	0	112.7	F14 Y15 G18 V36	F14-P21 WeakPolarHBondContact CD2-O 3.22Å; F14-P21 HydrophobicContact CE2-CB 3.97Å; Y15-P21 VanDerWaalsContact O-CB 3.32Å; Y15-P21 WeakPolarHBondContact O-CB 3.19Å; G18-P21 VanDerWaalsContact O-CD 3.29Å; G18-P21 WeakPolarHBondContact O-CD 3.3Å; P21-V36 HydrophobicContact CG-CG2 4.37Å
22	L	95.5	Very high	94.3	Very high	21 Å²	21	66.5 Å²	66.5	11%	0.11	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	14.8	-178.9	-61.5	175.4	0	0	0	113.6	F14 K20 L24 W25 Q27 I34 V47 I59	F14-L22 HydrophobicContact CD2-CD2 3.97Å; F14-L22 HydrophobicContact CE2-CD2 3.63Å; F14-L22 HydrophobicContact CE2-CG 4.39Å; K20-L22 PolarHBondContact O-N 3.23Å; K20-L22 VanDerWaalsContact O-N 3.15Å; L22-L24 PolarHBondContact O-N 2.89Å; L22-L24 VanDerWaalsContact O-N 3.1Å; L22-W25 HydrophobicContact CB-CB 4.31Å; L22-W25 HydrophobicContact CD2-CB 4.06Å; L22-W25 HydrophobicContact CD2-CG 4.21Å; L22-W25 PolarHBondContact O-N 2.86Å; L22-Q27 VanDerWaalsContact CD1-CD 3.48Å; L22-Q27 HydrophobicContact CD1-CG 4.05Å; L22-I34 HydrophobicContact CD1-CG2 3.83Å; L22-V47 HydrophobicContact CD1-CG1 4.33Å; L22-V47 HydrophobicContact CD1-CG2 4.43Å; L22-V47 HydrophobicContact CD2-CG2 4.5Å; L22-V47 HydrophobicContact CG-CG2 4.44Å; L22-I59 HydrophobicContact CD2-CD1 3.94Å; L22-I59 HydrophobicContact CD2-CG2 4.14Å
23	Q	95.1	Very high	94.5	Very high	130 Å²	130	68 Å²	68	61%	0.607	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.3	-176.5	68.1	-177.3	-4.8	0	0	114.4	K20	K20-Q23 HydrophobicContact CB-CB 3.93Å; K20-Q23 WeakPolarHBondContact O-CB 3.49Å; K20-Q23 VanDerWaalsContact O-CG 3.31Å; K20-Q23 WeakPolarHBondContact O-CG 3.49Å; K20-Q23 PolarHBondContact O-N 3.12Å; K20-Q23 VanDerWaalsContact O-N 3.1Å
24	L	95.4	Very high	94.6	Very high	40 Å²	40	69 Å²	69	21%	0.209	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-0.5	179.1	-54	-175.7	0	0	0	113.1	M1 F2 L22 P62 L63	M1-L24 HydrophobicContact CE-CD1 3.57Å; M1-L24 HydrophobicContact CE-CD2 3.19Å; M1-L24 HydrophobicContact CE-CG 3.93Å; M1-L24 HydrophobicContact SD-CD1 4.06Å; M1-L24 HydrophobicContact SD-CD2 4.11Å; M1-L24 HydrophobicContact SD-CG 4.48Å; F2-L24 HydrophobicContact CZ-CD1 3.98Å; L22-L24 PolarHBondContact O-N 2.89Å; L22-L24 VanDerWaalsContact O-N 3.1Å; L24-P62 CarbonylContact O-C 3.51Å; L24-L63 PolarHBondContact O-N 3.39Å
25	W	97.8	Very high	94.6	Very high	3 Å²	3	73.4 Å²	73.4	1%	0.011	38%	0.376	C	S	.	.			trans	-117.5	121.9	-164.6	-64.2	78.8	0	0	0	110.4	V13 F14 L22 I59 R60 C61 I154 V156	V13-W25 HydrophobicContact CB-CZ2 4.36Å; V13-W25 HydrophobicContact CG2-CZ2 4.03Å; V13-W25 PolarHBondContact O-NE1 2.83Å; F14-W25 HydrophobicContact CB-CZ2 3.64Å; L22-W25 HydrophobicContact CB-CB 4.31Å; L22-W25 HydrophobicContact CD2-CB 4.06Å; L22-W25 HydrophobicContact CD2-CG 4.21Å; L22-W25 PolarHBondContact O-N 2.86Å; W25-I59 HydrophobicContact CB-CB 4.34Å; W25-I59 HydrophobicContact CD2-CD1 4.12Å; W25-I59 HydrophobicContact CD2-CG1 4.46Å; W25-I59 HydrophobicContact CE3-CB 3.86Å; W25-I59 HydrophobicContact CE3-CD1 3.7Å; W25-I59 HydrophobicContact CE3-CG1 3.64Å; W25-I59 HydrophobicContact CZ3-CD1 4.1Å; W25-I59 HydrophobicContact CZ3-CG1 4.03Å; W25-R60 CarbonylContact C-O 3.43Å; W25-R60 VanDerWaalsContact CA-O 3.23Å; W25-R60 WeakPolarHBondContact CA-O 3.4Å; W25-C61 HydrophobicContact CD2-CB 3.56Å; W25-C61 HydrophobicContact CE3-CB 3.52Å; W25-C61 HydrophobicContact CG-CB 4.27Å; W25-C61 HydrophobicContact CH2-CB 3.66Å; W25-C61 HydrophobicContact CZ2-CB 3.67Å; W25-C61 HydrophobicContact CZ3-CB 3.58Å; W25-I154 HydrophobicContact CH2-CB 4.14Å; W25-I154 HydrophobicContact CH2-CG2 3.93Å; W25-I154 HydrophobicContact CZ3-CB 4.36Å; W25-I154 HydrophobicContact CZ3-CG2 4.13Å; W25-V156 HydrophobicContact CZ3-CG2 4.42Å
26	E	97.3	Very high	94.7	Very high	72 Å²	72	74.4 Å²	74.4	34%	0.336	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	136.9	163.2	-174.7	-167.5	-144.7	0	0	108.4	I59 R60 L63	E26-I59 CarbonylContact O-C 3.6Å; E26-I59 WeakPolarHBondContact O-CA 3.37Å; E26-R60 HydrophobicContact CB-CB 4.23Å; E26-R60 PolarHBondContact N-O 3.26Å; E26-R60 PolarHBondContact O-N 2.96Å; E26-R60 WeakPolarHBondContact OE2-CD 3.34Å; E26-R60 IonicContact OE2-CZ 2.84Å; E26-R60 IonicContact OE2-NH1 3.7Å; E26-R60 PolarHBondContact OE2-NH1 2.83Å; E26-L63 HydrophobicContact CB-CD1 3.88Å
27	Q	97.2	Very high	94.8	Very high	105 Å²	105	75.5 Å²	75.5	49%	0.491	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.4	176.6	-66.6	174.4	70.1	0	0	108.3	L22 I34 I59	L22-Q27 VanDerWaalsContact CD1-CD 3.48Å; L22-Q27 HydrophobicContact CD1-CG 4.05Å; Q27-I34 HydrophobicContact CB-CD1 3.94Å; Q27-I34 HydrophobicContact CG-CD1 4.28Å; Q27-I59 HydrophobicContact CG-CG2 4.1Å
28	Q	96.6	Very high	95	Very high	75 Å²	75	78.3 Å²	78.3	35%	0.35	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	133.8	174.8	178.7	-174.7	-29.8	0	0	109.3	A57 C58 R60	Q28-A57 CarbonylContact O-C 3.51Å; Q28-A57 VanDerWaalsContact O-CA 3.31Å; Q28-A57 WeakPolarHBondContact O-CA 3.43Å; Q28-C58 PolarHBondContact N-O 2.91Å; Q28-C58 PolarHBondContact O-N 2.94Å; Q28-R60 VanDerWaalsContact OE1-CZ 3.26Å
29	T	95.9	Very high	95.4	Very high	77 Å²	77	76.7 Å²	76.7	47%	0.472	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	141.7	174.5	56.2	0	0	0	0	110.8	I34 G56 A57	T29-I34 HydrophobicContact CG2-CB 4.47Å; T29-I34 HydrophobicContact CG2-CD1 3.71Å; T29-I34 HydrophobicContact CG2-CG1 3.69Å; T29-G56 CarbonylContact C-O 3.57Å; T29-G56 WeakPolarHBondContact CA-O 3.43Å; T29-A57 HydrophobicContact CG2-CB 4.2Å
30	Q	93.6	Very high	95.7	Very high	125 Å²	125	74.4 Å²	74.4	58%	0.584	38%	0.377	S	S	*	.	S	Bend	trans	-146.1	105.2	172.4	-174.4	179.8	37	0	0	107.2	G56	Q30-G56 CarbonylContact C-O 3.47Å; Q30-G56 PolarHBondContact N-O 3.1Å; Q30-G56 CarbonylContact O-C 3.58Å; Q30-G56 WeakPolarHBondContact O-CA 3.38Å; Q30-G56 VanDerWaalsContact O-O 3.12Å
31	N	91.5	Very high	95.7	Very high	136 Å²	136	69.8 Å²	69.8	73%	0.727	36%	0.359	S	S	*	.	S	Bend	trans	56.7	53.8	-174.2	-55.6	-32.5	0	0	0	112.6	S52	N31-S52 PolarHBondContact O-N 2.66Å; N31-S52 VanDerWaalsContact O-N 3.15Å; N31-S52 PolarHBondContact O-OG 3.42Å
32	G	95.1	Very high	95.6	Very high	31 Å²	31	69 Å²	69	32%	0.32	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.8	-175.5	-175.1	0	0	0	0	0	111.5	V50	G32-V50 CarbonylContact C-O 3.53Å; G32-V50 WeakPolarHBondContact CA-O 3.22Å
33	F	97.5	Very high	95.5	Very high	77 Å²	77	75.7 Å²	75.7	34%	0.338	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	159	175.7	62.6	-103.1	0	0	0	111.8	K35 E48 M49 V50	F33-K35 HydrophobicContact CD2-CB 4.4Å; F33-K35 HydrophobicContact CD2-CD 3.7Å; F33-K35 HydrophobicContact CD2-CG 3.73Å; F33-K35 HydrophobicContact CE2-CD 3.65Å; F33-K35 HydrophobicContact CE2-CG 3.82Å; F33-K35 HydrophobicContact CZ-CD 4.43Å; F33-E48 HydrophobicContact CE2-CG 4.04Å; F33-E48 WeakPolarHBondContact CE2-OE1 3.25Å; F33-E48 WeakPolarHBondContact CZ-OE1 3.25Å; F33-M49 WeakPolarHBondContact O-CA 3.36Å; F33-V50 HydrophobicContact CD1-CB 4.27Å; F33-V50 HydrophobicContact CD2-CB 4.39Å; F33-V50 HydrophobicContact CE1-CB 3.79Å; F33-V50 HydrophobicContact CE1-CG1 4.01Å; F33-V50 HydrophobicContact CE1-CG2 4.27Å; F33-V50 HydrophobicContact CE2-CB 3.89Å; F33-V50 HydrophobicContact CE2-CG2 3.87Å; F33-V50 HydrophobicContact CZ-CB 3.59Å; F33-V50 HydrophobicContact CZ-CG1 4.18Å; F33-V50 HydrophobicContact CZ-CG2 3.6Å; F33-V50 PolarHBondContact N-O 2.98Å; F33-V50 PolarHBondContact O-N 2.92Å
34	I	98	Very high	95.3	Very high	27 Å²	27	70.4 Å²	70.4	14%	0.138	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120	169	-59.6	167.2	0	0	0	105.6	L22 Q27 T29 V47 E48 M49 A57 I59	L22-I34 HydrophobicContact CD1-CG2 3.83Å; Q27-I34 HydrophobicContact CB-CD1 3.94Å; Q27-I34 HydrophobicContact CG-CD1 4.28Å; T29-I34 HydrophobicContact CG2-CB 4.47Å; T29-I34 HydrophobicContact CG2-CD1 3.71Å; T29-I34 HydrophobicContact CG2-CG1 3.69Å; I34-V47 HydrophobicContact CG2-CG1 3.83Å; I34-E48 WeakPolarHBondContact CA-O 3.45Å; I34-M49 HydrophobicContact CB-CG 4.5Å; I34-M49 HydrophobicContact CG1-CG 4.04Å; I34-M49 HydrophobicContact CG2-CG 4.12Å; I34-A57 HydrophobicContact CG1-CB 4.14Å; I34-I59 HydrophobicContact CD1-CG2 3.89Å; I34-I59 HydrophobicContact CG2-CG2 4.39Å
35	K	96.9	Very high	95.3	Very high	97 Å²	97	70.8 Å²	70.8	42%	0.422	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	153.7	-178.9	68.8	-174.7	-175.1	-174.5	0	111.3	F33 V37 E48	F33-K35 HydrophobicContact CD2-CB 4.4Å; F33-K35 HydrophobicContact CD2-CD 3.7Å; F33-K35 HydrophobicContact CD2-CG 3.73Å; F33-K35 HydrophobicContact CE2-CD 3.65Å; F33-K35 HydrophobicContact CE2-CG 3.82Å; F33-K35 HydrophobicContact CZ-CD 4.43Å; K35-V37 HydrophobicContact CD-CG1 3.93Å; K35-V37 HydrophobicContact CG-CG1 3.7Å; K35-E48 WeakPolarHBondContact CE-OE1 3.3Å; K35-E48 HydrophobicContact CG-CB 4.48Å; K35-E48 PolarHBondContact N-O 2.64Å; K35-E48 IonicContact NZ-OE1 3.15Å; K35-E48 PolarHBondContact O-N 2.88Å
36	V	96.7	Very high	95.3	Very high	83 Å²	83	70.6 Å²	70.6	50%	0.503	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	128	168.2	-177.5	0	0	0	0	108	P21 P45 V46 V47	P21-V36 HydrophobicContact CG-CG2 4.37Å; V36-P45 HydrophobicContact CG1-CB 3.87Å; V36-V46 CarbonylContact C-O 3.54Å; V36-V46 VanDerWaalsContact CA-O 3.31Å; V36-V46 WeakPolarHBondContact CA-O 3.28Å; V36-V47 HydrophobicContact CG2-CG2 4.12Å
37	V	96.8	Very high	95.3	Very high	28 Å²	28	67.2 Å²	67.2	17%	0.17	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	156.9	175.9	-57.4	0	0	0	0	110	K35 P45 V46 E48	K35-V37 HydrophobicContact CD-CG1 3.93Å; K35-V37 HydrophobicContact CG-CG1 3.7Å; V37-P45 CarbonylContact O-C 3.48Å; V37-P45 VanDerWaalsContact O-CA 3.27Å; V37-P45 WeakPolarHBondContact O-CA 3.28Å; V37-V46 HydrophobicContact CG2-CG2 3.61Å; V37-V46 PolarHBondContact N-O 3.03Å; V37-V46 PolarHBondContact O-N 2.83Å; V37-E48 HydrophobicContact CG1-CB 4.05Å; V37-E48 HydrophobicContact CG2-CB 3.83Å
38	E	96.4	Very high	95.3	Very high	134 Å²	134	62.9 Å²	62.9	63%	0.626	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	124.4	165	-166	154.3	173.5	0	0	109.3
39	D	96.4	Very high	95.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	128.9	176.8	-171.3	-97	0	0	0	110.7	D41 I42 R43 S44 V46 K81 W129 R161	D39-D41 VanDerWaalsContact C-N 3.32Å; D39-D41 PolarHBondContact O-N 2.98Å; D39-D41 WeakPolarHBondContact OD1-CB 3.46Å; D39-D41 PolarHBondContact OD1-N 3.48Å; D39-D41 VanDerWaalsContact OD1-N 3.13Å; D39-I42 HydrophobicContact CB-CD1 4.39Å; D39-I42 HydrophobicContact CB-CG1 3.77Å; D39-I42 PolarHBondContact OD1-N 3.01Å; D39-R43 WeakPolarHBondContact O-CA 3.37Å; D39-R43 PolarHBondContact O-N 3.26Å; D39-S44 PolarHBondContact N-O 2.95Å; D39-V46 HydrophobicContact CB-CG1 4.11Å; D39-V46 HydrophobicContact CB-CG2 3.85Å; D39-K81 IonicContact OD1-NZ 3.26Å; D39-K81 PolarHBondContact OD1-NZ 2.76Å; D39-K81 VanDerWaalsContact OD1-NZ 3.15Å; D39-K81 VanDerWaalsContact OD2-CD 3.32Å; D39-K81 WeakPolarHBondContact OD2-CD 3.44Å; D39-K81 IonicContact OD2-NZ 3.96Å; D39-K81 PolarHBondContact OD2-NZ 2.85Å; D39-W129 HydrophobicContact CB-CZ2 4.13Å; D39-W129 PolarHBondContact OD1-NE1 3.24Å; D39-R161 WeakPolarHBondContact OD2-CD 3.42Å; D39-R161 IonicContact OD2-CZ 3.28Å; D39-R161 IonicContact OD2-NE 3.81Å; D39-R161 IonicContact OD2-NH1 3.91Å; D39-R161 PolarHBondContact OD2-NH1 2.88Å
40	D	93.6	Very high	95.5	Very high	122 Å²	122	56.9 Å²	56.9	65%	0.652	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-33.2	-175.3	-54.2	-55.8	0	0	0	113.5
41	D	92.5	Very high	95.6	Very high	55 Å²	55	51 Å²	51	29%	0.294	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-40	-173.3	-58.8	-11.7	0	0	0	111.4	D39 K81 P186 S189	D39-D41 VanDerWaalsContact C-N 3.32Å; D39-D41 PolarHBondContact O-N 2.98Å; D39-D41 WeakPolarHBondContact OD1-CB 3.46Å; D39-D41 PolarHBondContact OD1-N 3.48Å; D39-D41 VanDerWaalsContact OD1-N 3.13Å; D41-K81 IonicContact OD1-NZ 3.15Å; D41-K81 WeakPolarHBondContact OD2-CE 3.42Å; D41-K81 IonicContact OD2-NZ 3.94Å; D41-K81 PolarHBondContact OD2-NZ 2.86Å; D41-P186 WeakPolarHBondContact O-CD 3.23Å; D41-S189 WeakPolarHBondContact O-CB 3.34Å; D41-S189 PolarHBondContact O-OG 3.08Å
42	I	92.8	Very high	95.7	Very high	11 Å²	11	48.9 Å²	48.9	6%	0.056	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-6.1	-178.2	62.1	165.9	0	0	0	113.4	D39 S44 V46 W129 L183 I185	D39-I42 HydrophobicContact CB-CD1 4.39Å; D39-I42 HydrophobicContact CB-CG1 3.77Å; D39-I42 PolarHBondContact OD1-N 3.01Å; I42-S44 VanDerWaalsContact C-N 3.3Å; I42-S44 PolarHBondContact O-N 2.9Å; I42-V46 HydrophobicContact CD1-CG1 3.73Å; I42-W129 HydrophobicContact CD1-CH2 4.32Å; I42-W129 HydrophobicContact CD1-CZ2 3.73Å; I42-W129 HydrophobicContact CG1-CZ2 4.19Å; I42-W129 HydrophobicContact CG2-CG 4.43Å; I42-L183 HydrophobicContact CG2-CD1 3.91Å; I42-L183 HydrophobicContact CG2-CG 4.39Å; I42-I185 HydrophobicContact CG2-CG1 3.99Å
43	R	92.2	Very high	95.6	Very high	162 Å²	162	50.1 Å²	50.1	61%	0.611	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	50.9	-177.8	-58.3	-176.1	-179	-173.1	-2.8	112.3	D39 S188	D39-R43 WeakPolarHBondContact O-CA 3.37Å; D39-R43 PolarHBondContact O-N 3.26Å; R43-S188 PolarHBondContact NH2-OG 3.39Å
44	S	92	Very high	95.3	Very high	18 Å²	18	47.5 Å²	47.5	13%	0.126	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	148	-173.4	-153.8	0	0	0	0	111.5	D39 I42 V46 R163	D39-S44 PolarHBondContact N-O 2.95Å; I42-S44 VanDerWaalsContact C-N 3.3Å; I42-S44 PolarHBondContact O-N 2.9Å; S44-V46 PolarHBondContact O-N 2.84Å; S44-R163 PolarHBondContact OG-NH1 3.31Å; S44-R163 PolarHBondContact OG-NH2 2.86Å
45	P	94.6	Very high	95	Very high	48 Å²	48	50 Å²	50	31%	0.312	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	134.2	173.4	-27.5	32.2	0	0	0	113.5	S16 L17 V36 V37 R163	S16-P45 WeakPolarHBondContact CB-O 3.31Å; S16-P45 PolarHBondContact OG-O 2.88Å; L17-P45 HydrophobicContact CD2-CB 3.99Å; L17-P45 HydrophobicContact CD2-CG 3.85Å; V36-P45 HydrophobicContact CG1-CB 3.87Å; V37-P45 CarbonylContact O-C 3.48Å; V37-P45 VanDerWaalsContact O-CA 3.27Å; V37-P45 WeakPolarHBondContact O-CA 3.28Å; P45-R163 PolarHBondContact O-NH1 2.83Å
46	V	97.1	Very high	94.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	157.3	175.4	-60.4	0	0	0	0	109.7	V36 V37 D39 I42 S44 W129 R161 R163	V36-V46 CarbonylContact C-O 3.54Å; V36-V46 VanDerWaalsContact CA-O 3.31Å; V36-V46 WeakPolarHBondContact CA-O 3.28Å; V37-V46 HydrophobicContact CG2-CG2 3.61Å; V37-V46 PolarHBondContact N-O 3.03Å; V37-V46 PolarHBondContact O-N 2.83Å; D39-V46 HydrophobicContact CB-CG1 4.11Å; D39-V46 HydrophobicContact CB-CG2 3.85Å; I42-V46 HydrophobicContact CD1-CG1 3.73Å; S44-V46 PolarHBondContact O-N 2.84Å; V46-W129 HydrophobicContact CB-CH2 4.15Å; V46-W129 HydrophobicContact CB-CZ2 4.5Å; V46-W129 HydrophobicContact CG1-CH2 3.57Å; V46-W129 HydrophobicContact CG1-CZ2 3.73Å; V46-R161 HydrophobicContact CB-CB 4.47Å; V46-R161 HydrophobicContact CG2-CB 3.91Å; V46-R161 HydrophobicContact CG2-CG 4.17Å; V46-R163 HydrophobicContact CG1-CB 4.5Å
47	V	97.7	Very high	94.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	113.5	172.8	171.7	0	0	0	0	108.9	F14 L22 I34 V36 M49 R161 L162	F14-V47 HydrophobicContact CE2-CB 4.33Å; F14-V47 HydrophobicContact CE2-CG2 3.76Å; F14-V47 HydrophobicContact CZ-CB 3.78Å; F14-V47 HydrophobicContact CZ-CG2 3.5Å; L22-V47 HydrophobicContact CD1-CG1 4.33Å; L22-V47 HydrophobicContact CD1-CG2 4.43Å; L22-V47 HydrophobicContact CD2-CG2 4.5Å; L22-V47 HydrophobicContact CG-CG2 4.44Å; I34-V47 HydrophobicContact CG2-CG1 3.83Å; V36-V47 HydrophobicContact CG2-CG2 4.12Å; V47-M49 HydrophobicContact CG1-CG 4.01Å; V47-R161 CarbonylContact O-C 3.58Å; V47-R161 WeakPolarHBondContact O-CA 3.32Å; V47-L162 PolarHBondContact N-O 3.28Å; V47-L162 PolarHBondContact O-N 2.77Å
48	E	98.1	Very high	94.9	Very high	14 Å²	14	40.1 Å²	40.1	7%	0.065	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.6	173.1	-175.3	173.8	81.3	0	0	109.7	F33 I34 K35 V37 V50 R161	F33-E48 HydrophobicContact CE2-CG 4.04Å; F33-E48 WeakPolarHBondContact CE2-OE1 3.25Å; F33-E48 WeakPolarHBondContact CZ-OE1 3.25Å; I34-E48 WeakPolarHBondContact CA-O 3.45Å; K35-E48 WeakPolarHBondContact CE-OE1 3.3Å; K35-E48 HydrophobicContact CG-CB 4.48Å; K35-E48 PolarHBondContact N-O 2.64Å; K35-E48 IonicContact NZ-OE1 3.15Å; K35-E48 PolarHBondContact O-N 2.88Å; V37-E48 HydrophobicContact CG1-CB 4.05Å; V37-E48 HydrophobicContact CG2-CB 3.83Å; E48-V50 HydrophobicContact CG-CG2 3.95Å; E48-R161 HydrophobicContact CB-CG 4.11Å; E48-R161 HydrophobicContact CG-CG 4.08Å; E48-R161 IonicContact OE2-CZ 3.35Å; E48-R161 VanDerWaalsContact OE2-CZ 3.25Å; E48-R161 IonicContact OE2-NE 2.85Å; E48-R161 PolarHBondContact OE2-NE 3.08Å; E48-R161 IonicContact OE2-NH2 3.35Å; E48-R161 PolarHBondContact OE2-NH2 3.07Å
49	M	98	Very high	95	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.5	175.4	-59.6	-177.3	-74.6	0	0	108.5	F33 I34 V47 I59 V156 N159 C160 L162	F33-M49 WeakPolarHBondContact O-CA 3.36Å; I34-M49 HydrophobicContact CB-CG 4.5Å; I34-M49 HydrophobicContact CG1-CG 4.04Å; I34-M49 HydrophobicContact CG2-CG 4.12Å; V47-M49 HydrophobicContact CG1-CG 4.01Å; M49-I59 HydrophobicContact CE-CD1 4.2Å; M49-I59 HydrophobicContact CE-CG1 4.21Å; M49-I59 HydrophobicContact SD-CB 4.25Å; M49-I59 HydrophobicContact SD-CD1 3.99Å; M49-I59 HydrophobicContact SD-CG1 3.74Å; M49-I59 HydrophobicContact SD-CG2 3.73Å; M49-V156 HydrophobicContact CE-CB 4.04Å; M49-V156 HydrophobicContact CE-CG1 3.53Å; M49-N159 WeakPolarHBondContact O-CA 3.34Å; M49-N159 PolarHBondContact O-N 3.23Å; M49-C160 WeakPolarHBondContact CE-SG 3.37Å; M49-C160 PolarHBondContact N-O 2.85Å; M49-C160 PolarHBondContact O-N 2.83Å; M49-L162 HydrophobicContact CE-CB 4.36Å; M49-L162 HydrophobicContact CE-CD2 4.36Å
50	V	97.4	Very high	95	Very high	27 Å²	27	36.2 Å²	36.2	16%	0.164	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	133.6	-177.4	170.2	0	0	0	0	109.1	G32 F33 E48	G32-V50 CarbonylContact C-O 3.53Å; G32-V50 WeakPolarHBondContact CA-O 3.22Å; F33-V50 HydrophobicContact CD1-CB 4.27Å; F33-V50 HydrophobicContact CD2-CB 4.39Å; F33-V50 HydrophobicContact CE1-CB 3.79Å; F33-V50 HydrophobicContact CE1-CG1 4.01Å; F33-V50 HydrophobicContact CE1-CG2 4.27Å; F33-V50 HydrophobicContact CE2-CB 3.89Å; F33-V50 HydrophobicContact CE2-CG2 3.87Å; F33-V50 HydrophobicContact CZ-CB 3.59Å; F33-V50 HydrophobicContact CZ-CG1 4.18Å; F33-V50 HydrophobicContact CZ-CG2 3.6Å; F33-V50 PolarHBondContact N-O 2.98Å; F33-V50 PolarHBondContact O-N 2.92Å; E48-V50 HydrophobicContact CG-CG2 3.95Å
51	G	96.2	Very high	95.3	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	156.4	175.8	0	0	0	0	0	110.8	S53 R85 N159	G51-S53 VanDerWaalsContact C-N 3.3Å; G51-S53 CarbonylContact C-O 3.55Å; G51-R85 PolarHBondContact O-NH2 2.96Å; G51-N159 PolarHBondContact N-OD1 3.47Å; G51-N159 VanDerWaalsContact N-OD1 3.12Å; G51-N159 PolarHBondContact O-OD1 3.38Å
52	S	93.3	Very high	95.5	Very high	91 Å²	91	27.9 Å²	27.9	64%	0.636	15%	0.15	S	C	*	.	S	Bend	trans	-67	-33.5	170.8	49.5	0	0	0	0	112.1	N31	N31-S52 PolarHBondContact O-N 2.66Å; N31-S52 VanDerWaalsContact O-N 3.15Å; N31-S52 PolarHBondContact O-OG 3.42Å
53	S	92.6	Very high	95.7	Very high	56 Å²	56	32 Å²	32	39%	0.392	17%	0.171	S	C	.	.	S	Bend	trans	-118.8	175.5	168.1	71.4	0	0	0	0	110.3	G51 D55 G56	G51-S53 VanDerWaalsContact C-N 3.3Å; G51-S53 CarbonylContact C-O 3.55Å; S53-D55 VanDerWaalsContact C-N 3.27Å; S53-D55 PolarHBondContact O-N 3.44Å; S53-G56 PolarHBondContact O-N 3.34Å; S53-G56 PolarHBondContact OG-N 2.66Å
54	I	92.2	Very high	95.8	Very high	22 Å²	22	27.8 Å²	27.8	11%	0.113	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-64.7	-33	177.5	-162.9	156.6	0	0	0	113	G56 A88 F108 H157 A158	I54-G56 VanDerWaalsContact C-N 3.29Å; I54-A88 HydrophobicContact CD1-CB 3.46Å; I54-A88 VanDerWaalsContact CD1-CB 3.46Å; I54-A88 HydrophobicContact CG1-CB 4.4Å; I54-F108 HydrophobicContact CD1-CD1 4.31Å; I54-F108 HydrophobicContact CD1-CE1 3.25Å; I54-F108 HydrophobicContact CD1-CZ 3.75Å; I54-H157 HydrophobicContact CD1-CB 4.34Å; I54-H157 HydrophobicContact CG1-CB 3.58Å; I54-A158 WeakPolarHBondContact O-CB 3.36Å; I54-A158 PolarHBondContact O-N 2.94Å
55	D	91.1	Very high	95.8	Very high	80 Å²	80	30.8 Å²	30.8	43%	0.428	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-87	-1.9	178.9	-54.6	-57.4	0	0	0	112.2	S53 A57 H157	S53-D55 VanDerWaalsContact C-N 3.27Å; S53-D55 PolarHBondContact O-N 3.44Å; D55-A57 PolarHBondContact O-N 3.36Å; D55-H157 IonicContact OD1-CE1 3.25Å; D55-H157 IonicContact OD1-ND1 3.61Å
56	G	93.7	Very high	95.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-71.1	-15.4	-179.2	0	0	0	0	0	114.2	T29 Q30 S53 I54	T29-G56 CarbonylContact C-O 3.57Å; T29-G56 WeakPolarHBondContact CA-O 3.43Å; Q30-G56 CarbonylContact C-O 3.47Å; Q30-G56 PolarHBondContact N-O 3.1Å; Q30-G56 CarbonylContact O-C 3.58Å; Q30-G56 WeakPolarHBondContact O-CA 3.38Å; Q30-G56 VanDerWaalsContact O-O 3.12Å; S53-G56 PolarHBondContact O-N 3.34Å; S53-G56 PolarHBondContact OG-N 2.66Å; I54-G56 VanDerWaalsContact C-N 3.29Å
57	A	97.1	Very high	95.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	136.8	167	0	0	0	0	0	109.4	Q28 T29 I34 D55 H157 A158	Q28-A57 CarbonylContact O-C 3.51Å; Q28-A57 VanDerWaalsContact O-CA 3.31Å; Q28-A57 WeakPolarHBondContact O-CA 3.43Å; T29-A57 HydrophobicContact CG2-CB 4.2Å; I34-A57 HydrophobicContact CG1-CB 4.14Å; D55-A57 PolarHBondContact O-N 3.36Å; A57-H157 CarbonylContact O-C 3.59Å; A57-A158 HydrophobicContact CB-CB 3.99Å; A57-A158 WeakPolarHBondContact O-CA 3.26Å; A57-A158 VanDerWaalsContact O-CB 3.32Å; A57-A158 WeakPolarHBondContact O-CB 3.47Å; A57-A158 PolarHBondContact O-N 2.61Å
58	C	97.3	Very high	95.7	Very high	1 Å²	1	44 Å²	44	1%	0.007	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	156	171.8	63.4	0	0	0	0	111.7	Q28 R60 T155 V156	Q28-C58 PolarHBondContact N-O 2.91Å; Q28-C58 PolarHBondContact O-N 2.94Å; C58-R60 PolarHBondContact SG-NH2 3.07Å; C58-T155 HydrophobicContact CB-CG2 4.3Å; C58-V156 CarbonylContact C-O 3.54Å; C58-V156 WeakPolarHBondContact CA-O 3.37Å; C58-V156 WeakPolarHBondContact CB-O 3.39Å
59	I	98.1	Very high	95.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	142.2	169.1	61.2	175.6	0	0	0	110.9	L22 W25 E26 Q27 I34 M49 T155 V156 L162	L22-I59 HydrophobicContact CD2-CD1 3.94Å; L22-I59 HydrophobicContact CD2-CG2 4.14Å; W25-I59 HydrophobicContact CB-CB 4.34Å; W25-I59 HydrophobicContact CD2-CD1 4.12Å; W25-I59 HydrophobicContact CD2-CG1 4.46Å; W25-I59 HydrophobicContact CE3-CB 3.86Å; W25-I59 HydrophobicContact CE3-CD1 3.7Å; W25-I59 HydrophobicContact CE3-CG1 3.64Å; W25-I59 HydrophobicContact CZ3-CD1 4.1Å; W25-I59 HydrophobicContact CZ3-CG1 4.03Å; E26-I59 CarbonylContact O-C 3.6Å; E26-I59 WeakPolarHBondContact O-CA 3.37Å; Q27-I59 HydrophobicContact CG-CG2 4.1Å; I34-I59 HydrophobicContact CD1-CG2 3.89Å; I34-I59 HydrophobicContact CG2-CG2 4.39Å; M49-I59 HydrophobicContact CE-CD1 4.2Å; M49-I59 HydrophobicContact CE-CG1 4.21Å; M49-I59 HydrophobicContact SD-CB 4.25Å; M49-I59 HydrophobicContact SD-CD1 3.99Å; M49-I59 HydrophobicContact SD-CG1 3.74Å; M49-I59 HydrophobicContact SD-CG2 3.73Å; I59-T155 CarbonylContact O-C 3.59Å; I59-T155 WeakPolarHBondContact O-CA 3.35Å; I59-V156 HydrophobicContact CD1-CB 4.43Å; I59-V156 HydrophobicContact CG1-CB 3.93Å; I59-V156 HydrophobicContact CG1-CG2 4.48Å; I59-V156 PolarHBondContact N-O 3.22Å; I59-V156 PolarHBondContact O-N 2.94Å; I59-L162 HydrophobicContact CD1-CD2 3.73Å
60	R	98.3	Very high	95.7	Very high	51 Å²	51	43.3 Å²	43.3	19%	0.192	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	134.2	-180	-50	-168.6	-176.7	85.8	-0.9	112.1	W25 E26 Q28 C58 I154 T155	W25-R60 CarbonylContact C-O 3.43Å; W25-R60 VanDerWaalsContact CA-O 3.23Å; W25-R60 WeakPolarHBondContact CA-O 3.4Å; E26-R60 HydrophobicContact CB-CB 4.23Å; E26-R60 PolarHBondContact N-O 3.26Å; E26-R60 PolarHBondContact O-N 2.96Å; E26-R60 WeakPolarHBondContact OE2-CD 3.34Å; E26-R60 IonicContact OE2-CZ 2.84Å; E26-R60 IonicContact OE2-NH1 3.7Å; E26-R60 PolarHBondContact OE2-NH1 2.83Å; Q28-R60 VanDerWaalsContact OE1-CZ 3.26Å; C58-R60 PolarHBondContact SG-NH2 3.07Å; R60-I154 CarbonylContact C-O 3.56Å; R60-I154 WeakPolarHBondContact CA-O 3.44Å; R60-T155 HydrophobicContact CG-CG2 3.91Å
61	C	98.2	Very high	95.7	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.6	175.4	-170.2	0	0	0	0	110	W25 R153 I154	W25-C61 HydrophobicContact CD2-CB 3.56Å; W25-C61 HydrophobicContact CE3-CB 3.52Å; W25-C61 HydrophobicContact CG-CB 4.27Å; W25-C61 HydrophobicContact CH2-CB 3.66Å; W25-C61 HydrophobicContact CZ2-CB 3.67Å; W25-C61 HydrophobicContact CZ3-CB 3.58Å; C61-R153 CarbonylContact O-C 3.57Å; C61-R153 VanDerWaalsContact O-CA 3.29Å; C61-R153 WeakPolarHBondContact O-CA 3.34Å; C61-R153 WeakPolarHBondContact O-CG 3.4Å; C61-I154 PolarHBondContact N-O 2.71Å; C61-I154 PolarHBondContact O-N 3.34Å
62	P	98	Very high	95.8	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.019	26%	0.263	C	S	.	.	S	Bend	cis	-76.1	158.7	4.4	-16.8	33.7	0	0	0	114.1	L24 D64 L67 L69 R153	L24-P62 CarbonylContact O-C 3.51Å; P62-D64 VanDerWaalsContact C-N 3.28Å; P62-D64 PolarHBondContact O-N 2.87Å; P62-L67 HydrophobicContact CB-CB 4.09Å; P62-L67 HydrophobicContact CG-CB 4.2Å; P62-L69 HydrophobicContact CG-CD2 4.4Å; P62-L69 HydrophobicContact CG-CG 4.18Å; P62-R153 PolarHBondContact O-NH1 3.03Å
63	L	95.9	Very high	96	Very high	97 Å²	97	44.3 Å²	44.3	51%	0.508	23%	0.234	S	C	.	.	S	Bend	trans	-52.4	-42.9	173.7	175.7	64	0	0	0	112.6	L24 E26	L24-L63 PolarHBondContact O-N 3.39Å; E26-L63 HydrophobicContact CB-CD1 3.88Å
64	D	94.7	Very high	96.3	Very high	74 Å²	74	43.2 Å²	43.2	40%	0.396	23%	0.226	S	C	.	.	S	Bend	trans	-86	125.3	174.2	-173.4	-16.5	0	0	0	110.5	P62 K66 L67 R153	P62-D64 VanDerWaalsContact C-N 3.28Å; P62-D64 PolarHBondContact O-N 2.87Å; D64-K66 PolarHBondContact O-N 2.85Å; D64-K66 WeakPolarHBondContact OD1-CB 3.23Å; D64-K66 PolarHBondContact OD1-N 3.35Å; D64-L67 HydrophobicContact CB-CB 4.3Å; D64-L67 HydrophobicContact CB-CD1 3.91Å; D64-L67 HydrophobicContact CB-CG 3.89Å; D64-L67 PolarHBondContact O-N 3.22Å; D64-L67 VanDerWaalsContact O-N 3.16Å; D64-R153 PolarHBondContact O-NH2 3.28Å
65	A	92.9	Very high	96.6	Very high	81 Å²	81	44.3 Å²	44.3	67%	0.669	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-27.8	176.4	0	0	0	0	0	113.4	R153	A65-R153 VanDerWaalsContact C-NH2 3.34Å; A65-R153 VanDerWaalsContact CA-NH2 3.25Å; A65-R153 PolarHBondContact O-NH2 2.85Å
66	K	94	Very high	96.9	Very high	188 Å²	188	40.5 Å²	40.5	82%	0.817	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-17.5	-179.4	-60.9	177.4	-177.8	175.8	0	113.4	D64	D64-K66 PolarHBondContact O-N 2.85Å; D64-K66 WeakPolarHBondContact OD1-CB 3.23Å; D64-K66 PolarHBondContact OD1-N 3.35Å
67	L	95.8	Very high	97.1	Very high	89 Å²	89	40.6 Å²	40.6	47%	0.466	21%	0.209	S	C	.	.			trans	-90.9	154	179	-63.7	-179.1	0	0	0	111.2	P62 D64 R153	P62-L67 HydrophobicContact CB-CB 4.09Å; P62-L67 HydrophobicContact CG-CB 4.2Å; D64-L67 HydrophobicContact CB-CB 4.3Å; D64-L67 HydrophobicContact CB-CD1 3.91Å; D64-L67 HydrophobicContact CB-CG 3.89Å; D64-L67 PolarHBondContact O-N 3.22Å; D64-L67 VanDerWaalsContact O-N 3.16Å; L67-R153 PolarHBondContact O-NH2 2.88Å
68	T	97.2	Very high	97.1	Very high	48 Å²	48	40.6 Å²	40.6	29%	0.294	21%	0.209	S	C	.	.			trans	-115.7	153.4	170.7	65	0	0	0	0	110.6	M1 S152	M1-T68 PolarHBondContact N-O 2.78Å; T68-S152 CarbonylContact C-O 3.56Å; T68-S152 WeakPolarHBondContact CA-O 3.48Å
69	L	97.8	Very high	97.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.21	C	C	.	.			trans	-60.5	-58.4	170.6	-77.5	168.4	0	0	0	110.1	M1 F2 V13 P62 I71 T151 S152 I154	M1-L69 PolarHBondContact N-O 2.64Å; F2-L69 HydrophobicContact CD2-CD2 3.73Å; F2-L69 HydrophobicContact CE2-CD2 3.59Å; F2-L69 PolarHBondContact N-O 3.4Å; V13-L69 HydrophobicContact CG1-CD2 4.43Å; P62-L69 HydrophobicContact CG-CD2 4.4Å; P62-L69 HydrophobicContact CG-CG 4.18Å; L69-I71 HydrophobicContact CB-CD1 4.13Å; L69-I71 HydrophobicContact CB-CG1 4.19Å; L69-I71 HydrophobicContact CD2-CD1 4.12Å; L69-I71 HydrophobicContact CG-CD1 4.49Å; L69-T151 WeakPolarHBondContact CB-O 3.41Å; L69-T151 HydrophobicContact CD1-CG2 4.07Å; L69-S152 PolarHBondContact N-O 3Å; L69-I154 HydrophobicContact CD1-CD1 3.91Å; L69-I154 HydrophobicContact CD1-CG1 3.88Å
70	G	97.6	Very high	97.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.21	C	C	.	.			trans	74.7	40.3	-178.5	0	0	0	0	0	112.5	Q7 E150 T151	Q7-G70 PolarHBondContact NE2-O 2.93Å; G70-E150 WeakPolarHBondContact CA-OE2 3.47Å; G70-T151 PolarHBondContact N-O 2.8Å
71	I	98.2	Very high	97	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-99.1	127.6	-179.7	-63.1	169	0	0	0	108.9	F2 Q7 L11 V13 L69 M73 Y148 E150 T151 F167	F2-I71 HydrophobicContact CB-CD1 4.43Å; F2-I71 HydrophobicContact CB-CG1 3.8Å; F2-I71 HydrophobicContact CD2-CD1 3.91Å; F2-I71 HydrophobicContact CD2-CG1 4.12Å; F2-I71 HydrophobicContact CE2-CD1 4.45Å; F2-I71 HydrophobicContact CG-CD1 4.22Å; F2-I71 HydrophobicContact CG-CG1 4.12Å; Q7-I71 VanDerWaalsContact OE1-CA 3.3Å; L11-I71 HydrophobicContact CD2-CD1 3.83Å; L11-I71 HydrophobicContact CD2-CG1 3.9Å; L11-I71 HydrophobicContact CD2-CG2 4.26Å; V13-I71 HydrophobicContact CG1-CD1 3.62Å; L69-I71 HydrophobicContact CB-CD1 4.13Å; L69-I71 HydrophobicContact CB-CG1 4.19Å; L69-I71 HydrophobicContact CD2-CD1 4.12Å; L69-I71 HydrophobicContact CG-CD1 4.49Å; I71-M73 HydrophobicContact CG2-CB 4.22Å; I71-M73 HydrophobicContact CG2-CE 4.3Å; I71-Y148 PolarHBondContact O-OH 3.1Å; I71-E150 CarbonylContact O-C 3.46Å; I71-E150 WeakPolarHBondContact O-CA 3.3Å; I71-E150 WeakPolarHBondContact O-CB 3.34Å; I71-T151 PolarHBondContact N-O 2.8Å; I71-T151 PolarHBondContact O-N 3.19Å; I71-F167 HydrophobicContact CB-CD1 4.48Å; I71-F167 HydrophobicContact CB-CE1 4.34Å; I71-F167 HydrophobicContact CB-CE2 4.4Å; I71-F167 HydrophobicContact CB-CZ 4.29Å; I71-F167 HydrophobicContact CD1-CD2 3.6Å; I71-F167 HydrophobicContact CD1-CE2 3.41Å; I71-F167 VanDerWaalsContact CD1-CE2 3.41Å; I71-F167 HydrophobicContact CD1-CG 4.38Å; I71-F167 HydrophobicContact CD1-CZ 4.05Å; I71-F167 HydrophobicContact CG1-CE2 4.49Å; I71-F167 HydrophobicContact CG2-CB 4.03Å; I71-F167 HydrophobicContact CG2-CD1 3.59Å; I71-F167 HydrophobicContact CG2-CD2 3.93Å; I71-F167 HydrophobicContact CG2-CE1 3.91Å; I71-F167 HydrophobicContact CG2-CE2 4.24Å; I71-F167 HydrophobicContact CG2-CG 3.58Å; I71-F167 HydrophobicContact CG2-CZ 4.22Å
72	K	97.9	Very high	97	Very high	134 Å²	134	40.4 Å²	40.4	58%	0.583	21%	0.211	S	C	*	.			trans	-101.8	-4.6	-174.6	-59	-178.8	-178.9	177.2	0	113.8	Y148 E150	K72-Y148 WeakPolarHBondContact O-CE1 3.22Å; K72-E150 HydrophobicContact CG-CB 4.25Å
73	M	97.9	Very high	96.9	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.03	22%	0.224	C	C	.	.			trans	-69.9	139.9	177.7	-70.8	-169.5	-70.9	0	0	111	Q7 L11 I71 Y148 F167 D169	Q7-M73 HydrophobicContact CB-CE 4.42Å; Q7-M73 HydrophobicContact CB-CG 4.24Å; L11-M73 HydrophobicContact CB-CE 3.15Å; L11-M73 HydrophobicContact CD2-CE 3.93Å; L11-M73 HydrophobicContact CG-CE 4.18Å; I71-M73 HydrophobicContact CG2-CB 4.22Å; I71-M73 HydrophobicContact CG2-CE 4.3Å; M73-Y148 VanDerWaalsContact O-CE1 3.26Å; M73-Y148 WeakPolarHBondContact O-CE1 3.4Å; M73-Y148 PolarHBondContact O-OH 3.1Å; M73-F167 HydrophobicContact CB-CB 4.03Å; M73-F167 HydrophobicContact CB-CD1 4.48Å; M73-F167 HydrophobicContact CE-CB 3.45Å; M73-F167 VanDerWaalsContact CE-CB 3.45Å; M73-D169 HydrophobicContact SD-CB 4.32Å
74	P	97.8	Very high	96.8	Very high	33 Å²	33	46 Å²	46	21%	0.214	23%	0.233	C	C	.	.	S	Bend	trans	-82.1	-24.4	-167.7	30.3	-35	0	0	0	114.7	L136 A137 D169	P74-L136 VanDerWaalsContact O-CB 3.29Å; P74-L136 WeakPolarHBondContact O-CB 3.32Å; P74-L136 PolarHBondContact O-N 3.27Å; P74-A137 HydrophobicContact CB-CB 3.97Å; P74-D169 WeakPolarHBondContact CG-O 3.39Å
75	Y	98.2	Very high	96.9	Very high	45 Å²	45	47.3 Å²	47.3	18%	0.176	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.8	-178.8	-60.7	-82.6	0	0	0	110.4	F134 N135 F167 A168 I171	Y75-F134 WeakPolarHBondContact CA-O 3.22Å; Y75-N135 HydrophobicContact CD1-CB 3.99Å; Y75-N135 HydrophobicContact CE1-CB 3.72Å; Y75-N135 WeakPolarHBondContact CE1-ND2 3.34Å; Y75-N135 PolarHBondContact OH-ND2 3.39Å; Y75-F167 CarbonylContact O-C 3.57Å; Y75-F167 WeakPolarHBondContact O-CA 3.4Å; Y75-A168 WeakPolarHBondContact CB-O 3.3Å; Y75-A168 PolarHBondContact N-O 3.34Å; Y75-A168 VanDerWaalsContact N-O 3.14Å; Y75-A168 PolarHBondContact O-N 2.91Å; Y75-I171 HydrophobicContact CD1-CD1 4.38Å; Y75-I171 HydrophobicContact CD1-CG1 3.83Å; Y75-I171 HydrophobicContact CE1-CD1 3.77Å; Y75-I171 HydrophobicContact CE1-CG1 3.55Å; Y75-I171 HydrophobicContact CE2-CG1 4.46Å; Y75-I171 HydrophobicContact CG-CG1 4.39Å
76	L	98.4	Very high	97.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.8	166.1	168.5	64.3	0	0	0	107.9	L78 F89 V91 F134 L136 I154 V165 F167	L76-L78 HydrophobicContact CD1-CD1 4.08Å; L76-L78 HydrophobicContact CD2-CD1 3.97Å; L76-L78 HydrophobicContact CG-CD1 3.67Å; L76-F89 HydrophobicContact CD2-CE2 4.4Å; L76-V91 HydrophobicContact CD2-CB 4.23Å; L76-V91 HydrophobicContact CD2-CG2 4.28Å; L76-F134 HydrophobicContact CB-CB 4.32Å; L76-F134 PolarHBondContact N-O 3.05Å; L76-F134 WeakPolarHBondContact O-CB 2.96Å; L76-F134 PolarHBondContact O-N 3Å; L76-L136 HydrophobicContact CB-CD1 4.01Å; L76-L136 HydrophobicContact CB-CG 4.34Å; L76-I154 HydrophobicContact CD1-CD1 3.8Å; L76-I154 HydrophobicContact CD2-CD1 4.38Å; L76-I154 HydrophobicContact CD2-CG1 4.5Å; L76-V165 HydrophobicContact CD1-CG1 3.63Å; L76-F167 HydrophobicContact CB-CD1 4.42Å; L76-F167 HydrophobicContact CB-CE1 4.21Å; L76-F167 HydrophobicContact CD1-CD2 4.4Å; L76-F167 HydrophobicContact CD1-CE1 4.36Å; L76-F167 HydrophobicContact CD1-CE2 4.05Å; L76-F167 HydrophobicContact CD1-CZ 4.04Å
77	V	97.6	Very high	97.3	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.1	179.6	-169.4	0	0	0	0	110.1	S131 V132 V165 Y166	V77-S131 WeakPolarHBondContact CG1-OG 3.1Å; V77-V132 VanDerWaalsContact CA-O 3.3Å; V77-V132 WeakPolarHBondContact CA-O 3.41Å; V77-V165 WeakPolarHBondContact O-CA 3.31Å; V77-Y166 HydrophobicContact CB-CD1 4.13Å; V77-Y166 HydrophobicContact CB-CD2 4.12Å; V77-Y166 HydrophobicContact CB-CE1 3.69Å; V77-Y166 HydrophobicContact CB-CE2 3.68Å; V77-Y166 HydrophobicContact CB-CG 4.34Å; V77-Y166 VanDerWaalsContact CB-CZ 3.46Å; V77-Y166 HydrophobicContact CG1-CE1 3.68Å; V77-Y166 HydrophobicContact CG1-CE2 4.21Å; V77-Y166 WeakPolarHBondContact CG1-OH 3.43Å; V77-Y166 HydrophobicContact CG2-CD2 4.34Å; V77-Y166 HydrophobicContact CG2-CE2 3.76Å; V77-Y166 PolarHBondContact N-O 2.99Å; V77-Y166 PolarHBondContact O-N 2.89Å
78	L	97.8	Very high	97.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.3	174.5	-70.2	79.4	0	0	0	109	L76 F89 V132 V156 V165	L76-L78 HydrophobicContact CD1-CD1 4.08Å; L76-L78 HydrophobicContact CD2-CD1 3.97Å; L76-L78 HydrophobicContact CG-CD1 3.67Å; L78-F89 HydrophobicContact CD1-CD2 4.36Å; L78-F89 HydrophobicContact CD1-CE2 4.19Å; L78-F89 HydrophobicContact CD1-CZ 4.32Å; L78-F89 HydrophobicContact CD2-CB 4.07Å; L78-F89 HydrophobicContact CD2-CD1 4.01Å; L78-F89 HydrophobicContact CD2-CD2 4.26Å; L78-F89 HydrophobicContact CD2-CE1 4.5Å; L78-F89 HydrophobicContact CD2-CG 3.86Å; L78-V132 HydrophobicContact CB-CB 4.43Å; L78-V132 PolarHBondContact N-O 2.74Å; L78-V132 PolarHBondContact O-N 2.87Å; L78-V156 HydrophobicContact CD2-CG2 4.19Å; L78-V165 HydrophobicContact CG-CG1 4.21Å; L78-V165 HydrophobicContact CG-CG2 4.13Å
79	V	96.7	Very high	97.5	Very high	6 Å²	6	36 Å²	36	4%	0.036	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	107.4	170	-176.4	0	0	0	0	108.2	W129 N130 R163 S164 Y166 L183	V79-W129 HydrophobicContact CG1-CE3 4.02Å; V79-W129 HydrophobicContact CG1-CZ3 4.29Å; V79-N130 WeakPolarHBondContact CA-O 3.39Å; V79-R163 HydrophobicContact CB-CB 4.09Å; V79-R163 HydrophobicContact CG1-CB 3.86Å; V79-R163 HydrophobicContact CG1-CG 4.17Å; V79-R163 PolarHBondContact O-N 2.84Å; V79-S164 WeakPolarHBondContact CB-OG 3.15Å; V79-S164 WeakPolarHBondContact CG2-OG 3.1Å; V79-S164 PolarHBondContact N-O 3.48Å; V79-Y166 HydrophobicContact CG2-CE1 4.25Å; V79-L183 HydrophobicContact CG1-CD1 3.9Å
80	V	97.4	Very high	97.5	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	138.1	-166.4	64.3	0	0	0	0	111.4	F87 L125 N130 V132 C160 R161 L162	V80-F87 HydrophobicContact CG2-CE1 4.39Å; V80-F87 HydrophobicContact CG2-CE2 4.42Å; V80-F87 HydrophobicContact CG2-CZ 4.08Å; V80-L125 HydrophobicContact CG1-CD2 4.48Å; V80-N130 HydrophobicContact CG1-CB 4.47Å; V80-N130 PolarHBondContact N-O 2.82Å; V80-N130 PolarHBondContact O-N 3.22Å; V80-V132 HydrophobicContact CG1-CG2 4.01Å; V80-C160 HydrophobicContact CG2-CB 3.51Å; V80-R161 CarbonylContact C-O 3.58Å; V80-R161 WeakPolarHBondContact CA-O 3.39Å; V80-L162 HydrophobicContact CB-CD1 4.37Å
81	K	97.8	Very high	97.6	Very high	20 Å²	20	36.7 Å²	36.7	9%	0.087	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	127.2	171.8	-158.5	-179.6	-170.7	164.7	0	110.4	D39 D41 M83 G128 W129 R161	D39-K81 IonicContact OD1-NZ 3.26Å; D39-K81 PolarHBondContact OD1-NZ 2.76Å; D39-K81 VanDerWaalsContact OD1-NZ 3.15Å; D39-K81 VanDerWaalsContact OD2-CD 3.32Å; D39-K81 WeakPolarHBondContact OD2-CD 3.44Å; D39-K81 IonicContact OD2-NZ 3.96Å; D39-K81 PolarHBondContact OD2-NZ 2.85Å; D41-K81 IonicContact OD1-NZ 3.15Å; D41-K81 WeakPolarHBondContact OD2-CE 3.42Å; D41-K81 IonicContact OD2-NZ 3.94Å; D41-K81 PolarHBondContact OD2-NZ 2.86Å; K81-M83 HydrophobicContact CD-SD 4.27Å; K81-M83 PolarHBondContact O-N 2.74Å; K81-G128 CarbonylContact C-O 3.56Å; K81-G128 WeakPolarHBondContact CA-O 3.41Å; K81-W129 HydrophobicContact CB-CD2 3.84Å; K81-W129 HydrophobicContact CB-CE3 3.94Å; K81-W129 HydrophobicContact CB-CG 4.41Å; K81-W129 HydrophobicContact CB-CH2 4.03Å; K81-W129 HydrophobicContact CB-CZ2 3.96Å; K81-W129 HydrophobicContact CB-CZ3 4.03Å; K81-W129 HydrophobicContact CD-CZ2 4.19Å; K81-W129 HydrophobicContact CG-CD2 4.13Å; K81-W129 HydrophobicContact CG-CG 4.25Å; K81-W129 HydrophobicContact CG-CZ2 4.47Å; K81-R161 HydrophobicContact CB-CB 3.85Å; K81-R161 PolarHBondContact N-O 2.98Å
82	N	96.9	Very high	97.6	Very high	22 Å²	22	39.2 Å²	39.2	12%	0.118	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	109.7	170.5	-178.3	6.4	0	0	0	110	K84 L125 D126 G128	N82-K84 PolarHBondContact O-N 3.07Å; N82-K84 WeakPolarHBondContact OD1-CA 3.09Å; N82-K84 PolarHBondContact OD1-N 3.18Å; N82-L125 HydrophobicContact CB-CB 3.95Å; N82-L125 HydrophobicContact CB-CD1 4.25Å; N82-L125 PolarHBondContact ND2-O 2.84Å; N82-D126 WeakPolarHBondContact CB-O 3.41Å; N82-D126 PolarHBondContact ND2-O 2.74Å; N82-G128 PolarHBondContact N-O 3.49Å
83	M	96.2	Very high	97.6	Very high	59 Å²	59	32.9 Å²	32.9	29%	0.291	14%	0.144	S	C	.	.			trans	-86.2	13.5	177.8	-60.2	-64.6	-69.2	0	0	112.9	K81 R85 R161	K81-M83 HydrophobicContact CD-SD 4.27Å; K81-M83 PolarHBondContact O-N 2.74Å; M83-R85 WeakPolarHBondContact O-CG 3.37Å; M83-R85 PolarHBondContact O-N 2.83Å; M83-R161 HydrophobicContact SD-CG 3.82Å
84	K	95.2	Very high	97.7	Very high	158 Å²	158	34.7 Å²	34.7	69%	0.687	15%	0.153	S	C	*	.	S	Bend	trans	55.6	35.6	-176.5	-58.9	178.1	178.2	176.7	0	113.1	N82 N127	N82-K84 PolarHBondContact O-N 3.07Å; N82-K84 WeakPolarHBondContact OD1-CA 3.09Å; N82-K84 PolarHBondContact OD1-N 3.18Å; K84-N127 WeakPolarHBondContact CE-OD1 3.2Å
85	R	96.1	Very high	97.7	Very high	102 Å²	102	33.1 Å²	33.1	39%	0.385	14%	0.143	S	C	.	.	S	Bend	trans	-136.4	166.3	-178.2	-70.4	-179.8	72.7	-166.9	-3.4	110.1	G51 M83 F87 N107 N159	G51-R85 PolarHBondContact O-NH2 2.96Å; M83-R85 WeakPolarHBondContact O-CG 3.37Å; M83-R85 PolarHBondContact O-N 2.83Å; R85-F87 PolarHBondContact O-N 2.82Å; R85-N107 PolarHBondContact O-ND2 2.92Å; R85-N159 HydrophobicContact CB-CB 3.65Å; R85-N159 PolarHBondContact NH1-OD1 3.39Å; R85-N159 PolarHBondContact NH2-OD1 3.47Å
86	Y	97.3	Very high	97.7	Very high	164 Å²	164	34.1 Å²	34.1	64%	0.643	16%	0.157	S	C	*	.			trans	-63.4	122.8	178.5	-64.3	-25.6	0	0	0	111.8	N107 F108 N159	Y86-N107 WeakPolarHBondContact CA-OD1 3.18Å; Y86-F108 HydrophobicContact CD1-CB 3.65Å; Y86-F108 HydrophobicContact CD1-CD1 4.2Å; Y86-F108 HydrophobicContact CD1-CG 4.31Å; Y86-F108 HydrophobicContact CE1-CB 3.73Å; Y86-F108 HydrophobicContact CG-CB 4.2Å; Y86-F108 HydrophobicContact CG-CD1 4.1Å; Y86-F108 HydrophobicContact CG-CG 4.42Å; Y86-N159 WeakPolarHBondContact O-CB 3.4Å; Y86-N159 PolarHBondContact O-ND2 2.98Å
87	F	97.8	Very high	97.7	Very high	3 Å²	3	41.7 Å²	41.7	1%	0.013	19%	0.19	C	C	.	.			trans	-136.3	147.1	-175.9	168.6	-105.9	0	0	0	110.1	V80 R85 F89 N106 N107 L123 L125 V156 C160	V80-F87 HydrophobicContact CG2-CE1 4.39Å; V80-F87 HydrophobicContact CG2-CE2 4.42Å; V80-F87 HydrophobicContact CG2-CZ 4.08Å; R85-F87 PolarHBondContact O-N 2.82Å; F87-F89 HydrophobicContact CE1-CD1 4.14Å; F87-F89 HydrophobicContact CZ-CB 4.39Å; F87-F89 HydrophobicContact CZ-CD1 4.27Å; F87-N106 WeakPolarHBondContact O-CA 3.45Å; F87-N107 PolarHBondContact N-OD1 2.85Å; F87-N107 PolarHBondContact O-N 3.16Å; F87-N107 VanDerWaalsContact O-N 3.14Å; F87-N107 PolarHBondContact O-OD1 3.31Å; F87-L123 HydrophobicContact CD1-CD2 4.02Å; F87-L123 HydrophobicContact CE1-CD2 3.9Å; F87-L125 HydrophobicContact CD1-CD1 3.87Å; F87-L125 HydrophobicContact CE1-CD1 4.43Å; F87-V156 HydrophobicContact CE2-CG1 3.69Å; F87-V156 HydrophobicContact CZ-CG1 4.07Å; F87-C160 HydrophobicContact CD2-CB 3.57Å; F87-C160 HydrophobicContact CE2-CB 3.72Å; F87-C160 WeakPolarHBondContact CE2-SG 3.47Å; F87-C160 HydrophobicContact CG-CB 4.28Å
88	A	98.2	Very high	97.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	160	172.4	0	0	0	0	0	111.1	I54 A105 N106 F108 H157	I54-A88 HydrophobicContact CD1-CB 3.46Å; I54-A88 VanDerWaalsContact CD1-CB 3.46Å; I54-A88 HydrophobicContact CG1-CB 4.4Å; A88-A105 CarbonylContact C-O 3.55Å; A88-A105 WeakPolarHBondContact CA-O 3.45Å; A88-A105 WeakPolarHBondContact CB-O 3.4Å; A88-N106 HydrophobicContact CB-CB 3.61Å; A88-F108 HydrophobicContact CB-CE1 4.33Å; A88-H157 VanDerWaalsContact O-CB 3.3Å; A88-H157 WeakPolarHBondContact O-CB 3.4Å; A88-H157 PolarHBondContact O-N 3.22Å
89	F	98.5	Very high	97.7	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.009	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	157.6	161	70.1	-89.3	0	0	0	109.9	L76 L78 F87 R104 A105 L123 V132 F134 T155 V156	L76-F89 HydrophobicContact CD2-CE2 4.4Å; L78-F89 HydrophobicContact CD1-CD2 4.36Å; L78-F89 HydrophobicContact CD1-CE2 4.19Å; L78-F89 HydrophobicContact CD1-CZ 4.32Å; L78-F89 HydrophobicContact CD2-CB 4.07Å; L78-F89 HydrophobicContact CD2-CD1 4.01Å; L78-F89 HydrophobicContact CD2-CD2 4.26Å; L78-F89 HydrophobicContact CD2-CE1 4.5Å; L78-F89 HydrophobicContact CD2-CG 3.86Å; F87-F89 HydrophobicContact CE1-CD1 4.14Å; F87-F89 HydrophobicContact CZ-CB 4.39Å; F87-F89 HydrophobicContact CZ-CD1 4.27Å; F89-R104 WeakPolarHBondContact O-CA 3.33Å; F89-A105 HydrophobicContact CD1-CB 4.04Å; F89-A105 HydrophobicContact CE1-CB 3.47Å; F89-A105 VanDerWaalsContact CE1-CB 3.47Å; F89-A105 HydrophobicContact CE2-CB 4.14Å; F89-A105 HydrophobicContact CZ-CB 3.52Å; F89-A105 PolarHBondContact N-O 2.84Å; F89-A105 PolarHBondContact O-N 3.26Å; F89-L123 HydrophobicContact CD1-CD2 4.32Å; F89-L123 HydrophobicContact CE1-CD2 4.03Å; F89-V132 HydrophobicContact CE1-CG1 4.07Å; F89-V132 HydrophobicContact CZ-CG1 4.22Å; F89-F134 HydrophobicContact CE2-CD2 4.28Å; F89-F134 HydrophobicContact CE2-CG 4.43Å; F89-F134 AromaticContact CZ-CD2 3.87Å; F89-F134 HydrophobicContact CZ-CD2 3.87Å; F89-F134 HydrophobicContact CZ-CE2 4.37Å; F89-F134 HydrophobicContact CZ-CG 4.33Å; F89-T155 CarbonylContact C-O 3.56Å; F89-T155 VanDerWaalsContact CA-O 3.23Å; F89-T155 WeakPolarHBondContact CA-O 3.39Å; F89-T155 WeakPolarHBondContact CB-O 3.29Å; F89-V156 HydrophobicContact CB-CG2 4.42Å
90	E	98.5	Very high	97.8	Very high	13 Å²	13	49 Å²	49	6%	0.061	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	143.5	179.1	-58.2	-179	-156.4	0	0	110.1	R102 F103 R104 I154 T155 H157	E90-R102 HydrophobicContact CB-CG 4.45Å; E90-R102 VanDerWaalsContact OE2-CD 3.23Å; E90-R102 WeakPolarHBondContact OE2-CD 3.48Å; E90-R102 IonicContact OE2-CZ 3.5Å; E90-R102 IonicContact OE2-NE 3.54Å; E90-R102 IonicContact OE2-NH1 2.86Å; E90-R102 PolarHBondContact OE2-NH1 2.77Å; E90-F103 CarbonylContact C-O 3.36Å; E90-F103 VanDerWaalsContact CA-O 3.23Å; E90-F103 WeakPolarHBondContact CA-O 3.3Å; E90-R104 HydrophobicContact CG-CB 3.85Å; E90-R104 HydrophobicContact CG-CG 3.7Å; E90-R104 WeakPolarHBondContact OE1-CD 3.26Å; E90-R104 IonicContact OE1-CZ 3.34Å; E90-R104 IonicContact OE1-NE 2.87Å; E90-R104 PolarHBondContact OE1-NE 2.92Å; E90-R104 IonicContact OE1-NH1 3.39Å; E90-R104 PolarHBondContact OE1-NH1 2.77Å; E90-I154 CarbonylContact O-C 3.57Å; E90-I154 WeakPolarHBondContact O-CA 3.49Å; E90-T155 PolarHBondContact N-O 3.29Å; E90-T155 PolarHBondContact O-N 3.37Å; E90-H157 IonicContact OE1-CD2 3.61Å; E90-H157 IonicContact OE1-CE1 2.71Å; E90-H157 IonicContact OE1-NE2 3.96Å; E90-H157 PolarHBondContact OE1-NE2 3.35Å
91	V	98.7	Very high	97.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	124.2	172.2	59	0	0	0	0	109.2	L76 R102 F103 F134 L136 T151 R153 I154	L76-V91 HydrophobicContact CD2-CB 4.23Å; L76-V91 HydrophobicContact CD2-CG2 4.28Å; V91-R102 CarbonylContact O-C 3.57Å; V91-R102 WeakPolarHBondContact O-CA 3.29Å; V91-F103 HydrophobicContact CG1-CB 3.74Å; V91-F103 PolarHBondContact N-O 3.1Å; V91-F103 PolarHBondContact O-N 2.87Å; V91-F134 HydrophobicContact CG1-CD1 4.47Å; V91-F134 HydrophobicContact CG1-CE1 4.12Å; V91-L136 HydrophobicContact CB-CD2 4.34Å; V91-L136 HydrophobicContact CG1-CD2 3.66Å; V91-L136 HydrophobicContact CG2-CD2 3.82Å; V91-T151 HydrophobicContact CG2-CG2 3.49Å; V91-T151 VanDerWaalsContact CG2-CG2 3.49Å; V91-R153 WeakPolarHBondContact CA-O 3.33Å; V91-I154 HydrophobicContact CG2-CG1 4.47Å
92	E	98.6	Very high	97.9	Very high	54 Å²	54	53.9 Å²	53.9	25%	0.252	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134.4	170.7	-61.7	175	-172	0	0	109.1	T100 R101 R102 S152 R153	E92-T100 HydrophobicContact CB-CG2 4.32Å; E92-R101 CarbonylContact C-O 3.58Å; E92-R101 VanDerWaalsContact CA-O 3.31Å; E92-R101 WeakPolarHBondContact CA-O 3.45Å; E92-R102 HydrophobicContact CG-CB 4.28Å; E92-R102 HydrophobicContact CG-CG 4.02Å; E92-S152 PolarHBondContact O-N 2.91Å; E92-R153 HydrophobicContact CB-CB 4.06Å; E92-R153 HydrophobicContact CG-CB 4.32Å; E92-R153 PolarHBondContact N-O 2.96Å; E92-R153 PolarHBondContact O-N 2.96Å
93	L	98.6	Very high	97.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	156	-178.7	61.7	82.8	0	0	0	111.4	T100 R101 F103 L136 T140 Y148 E150	L93-T100 CarbonylContact O-C 3.49Å; L93-T100 VanDerWaalsContact O-CA 3.3Å; L93-T100 WeakPolarHBondContact O-CA 3.08Å; L93-R101 HydrophobicContact CD1-CB 4.11Å; L93-R101 HydrophobicContact CD1-CG 4.45Å; L93-R101 PolarHBondContact N-O 2.98Å; L93-R101 PolarHBondContact O-N 3.26Å; L93-F103 HydrophobicContact CD1-CE2 4.46Å; L93-F103 HydrophobicContact CD2-CD2 3.74Å; L93-F103 HydrophobicContact CD2-CE2 3.73Å; L93-F103 HydrophobicContact CG-CD2 4.36Å; L93-F103 HydrophobicContact CG-CE2 4.3Å; L93-L136 HydrophobicContact CD2-CB 4.32Å; L93-L136 HydrophobicContact CD2-CD2 3.93Å; L93-T140 HydrophobicContact CD1-CG2 4.15Å; L93-Y148 HydrophobicContact CB-CD2 4.09Å; L93-Y148 HydrophobicContact CB-CE2 3.98Å; L93-Y148 HydrophobicContact CD1-CD2 4.29Å; L93-Y148 HydrophobicContact CD2-CD2 3.93Å; L93-Y148 HydrophobicContact CD2-CE2 4.23Å; L93-Y148 HydrophobicContact CG-CD2 4.34Å; L93-E150 CarbonylContact C-O 3.51Å; L93-E150 VanDerWaalsContact CA-O 3.28Å; L93-E150 WeakPolarHBondContact CA-O 3.16Å; L93-E150 WeakPolarHBondContact CB-O 3.41Å
94	L	98.5	Very high	98.1	Very high	44 Å²	44	52.5 Å²	52.5	23%	0.23	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	132.3	170.7	-170.6	67.3	0	0	0	109.2	G98 V149 E150	L94-G98 VanDerWaalsContact CD1-C 3.46Å; L94-G98 WeakPolarHBondContact CD1-O 3.47Å; L94-V149 HydrophobicContact CB-CB 4.4Å; L94-V149 HydrophobicContact CD2-CG1 4.27Å; L94-V149 WeakPolarHBondContact O-CB 3.38Å; L94-V149 PolarHBondContact O-N 3.15Å; L94-E150 HydrophobicContact CB-CG 4.14Å; L94-E150 PolarHBondContact N-O 3.37Å
95	D	98.4	Very high	98.2	Very high	1 Å²	1	45 Å²	45	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	170.7	171.8	78.3	12.8	0	0	0	112.9	K97 G98 T99 R101 T140 T146 N147 V149	D95-K97 PolarHBondContact O-N 3.31Å; D95-K97 WeakPolarHBondContact OD1-CA 3.25Å; D95-K97 WeakPolarHBondContact OD1-CB 3.37Å; D95-K97 PolarHBondContact OD1-N 3.32Å; D95-G98 PolarHBondContact O-N 3.11Å; D95-G98 PolarHBondContact OD1-N 2.91Å; D95-T99 PolarHBondContact N-O 2.92Å; D95-T99 WeakPolarHBondContact OD1-CB 3.33Å; D95-T99 PolarHBondContact OD1-N 2.87Å; D95-R101 HydrophobicContact CB-CG 4.41Å; D95-R101 IonicContact OD2-CZ 3.32Å; D95-R101 IonicContact OD2-NE 2.86Å; D95-R101 PolarHBondContact OD2-NE 2.92Å; D95-R101 IonicContact OD2-NH2 2.88Å; D95-R101 PolarHBondContact OD2-NH2 2.78Å; D95-T140 HydrophobicContact CB-CG2 4.12Å; D95-T146 WeakPolarHBondContact CB-OG1 3.3Å; D95-T146 PolarHBondContact OD2-OG1 2.71Å; D95-T146 VanDerWaalsContact OD2-OG1 3.12Å; D95-N147 CarbonylContact C-O 3.5Å; D95-N147 WeakPolarHBondContact CA-O 3.38Å; D95-V149 VanDerWaalsContact C-CG2 3.49Å
96	S	98.4	Very high	98.3	Very high	65 Å²	65	40.2 Å²	40.2	46%	0.455	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-5.5	-178.6	65.1	0	0	0	0	114.8	N147	S96-N147 PolarHBondContact N-O 2.96Å; S96-N147 PolarHBondContact OG-N 3.2Å; S96-N147 VanDerWaalsContact OG-N 3.1Å
97	K	97.9	Very high	98.3	Very high	160 Å²	160	34.6 Å²	34.6	70%	0.696	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	7.3	170.8	-68.4	-174	176.7	-177.7	0	111.9	D95 T99 T146	D95-K97 PolarHBondContact O-N 3.31Å; D95-K97 WeakPolarHBondContact OD1-CA 3.25Å; D95-K97 WeakPolarHBondContact OD1-CB 3.37Å; D95-K97 PolarHBondContact OD1-N 3.32Å; K97-T99 PolarHBondContact O-N 3.42Å; K97-T146 HydrophobicContact CB-CG2 4.48Å; K97-T146 HydrophobicContact CD-CG2 3.72Å; K97-T146 HydrophobicContact CG-CG2 3.75Å
98	G	97.9	Very high	98.2	Very high	53 Å²	53	38.7 Å²	38.7	55%	0.546	20%	0.202	S	C	.	.	S	Bend	trans	71.8	16.2	-175.8	0	0	0	0	0	113.4	L94 D95	L94-G98 VanDerWaalsContact CD1-C 3.46Å; L94-G98 WeakPolarHBondContact CD1-O 3.47Å; D95-G98 PolarHBondContact O-N 3.11Å; D95-G98 PolarHBondContact OD1-N 2.91Å
99	T	98	Very high	98	Very high	37 Å²	37	40.9 Å²	40.9	23%	0.227	21%	0.212	C	C	.	.			trans	-94.3	130.9	178.5	-52.2	0	0	0	0	110.6	D95 K97 R101 Y117	D95-T99 PolarHBondContact N-O 2.92Å; D95-T99 WeakPolarHBondContact OD1-CB 3.33Å; D95-T99 PolarHBondContact OD1-N 2.87Å; K97-T99 PolarHBondContact O-N 3.42Å; T99-R101 PolarHBondContact O-N 2.64Å; T99-R101 PolarHBondContact OG1-NH2 3.05Å; T99-Y117 HydrophobicContact CG2-CD1 4.11Å; T99-Y117 HydrophobicContact CG2-CE1 4.02Å
100	T	98.2	Very high	97.9	Very high	70 Å²	70	45.4 Å²	45.4	43%	0.429	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	121.7	169.4	-54.9	0	0	0	0	110.1	E92 L93	E92-T100 HydrophobicContact CB-CG2 4.32Å; L93-T100 CarbonylContact O-C 3.49Å; L93-T100 VanDerWaalsContact O-CA 3.3Å; L93-T100 WeakPolarHBondContact O-CA 3.08Å
101	R	98.3	Very high	97.8	Very high	30 Å²	30	49.8 Å²	49.8	11%	0.113	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	150.6	175.2	-52.2	-64.8	-177.4	-170.1	-8.3	109.3	E92 L93 D95 T99 P116 Y144	E92-R101 CarbonylContact C-O 3.58Å; E92-R101 VanDerWaalsContact CA-O 3.31Å; E92-R101 WeakPolarHBondContact CA-O 3.45Å; L93-R101 HydrophobicContact CD1-CB 4.11Å; L93-R101 HydrophobicContact CD1-CG 4.45Å; L93-R101 PolarHBondContact N-O 2.98Å; L93-R101 PolarHBondContact O-N 3.26Å; D95-R101 HydrophobicContact CB-CG 4.41Å; D95-R101 IonicContact OD2-CZ 3.32Å; D95-R101 IonicContact OD2-NE 2.86Å; D95-R101 PolarHBondContact OD2-NE 2.92Å; D95-R101 IonicContact OD2-NH2 2.88Å; D95-R101 PolarHBondContact OD2-NH2 2.78Å; T99-R101 PolarHBondContact O-N 2.64Å; T99-R101 PolarHBondContact OG1-NH2 3.05Å; R101-P116 WeakPolarHBondContact CD-O 3.33Å; R101-P116 PolarHBondContact NH1-O 2.89Å; R101-Y144 HydrophobicContact CB-CD2 4.25Å; R101-Y144 HydrophobicContact CB-CE2 3.62Å; R101-Y144 HydrophobicContact CG-CD2 3.77Å; R101-Y144 HydrophobicContact CG-CE2 3.62Å; R101-Y144 HydrophobicContact CG-CG 4.33Å
102	R	98.7	Very high	97.7	Very high	94 Å²	94	53.7 Å²	53.7	36%	0.355	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.1	173.8	-170.6	165.2	61.7	168.7	-16.9	111.1	E90 V91 E92 Y117 I118 C119	E90-R102 HydrophobicContact CB-CG 4.45Å; E90-R102 VanDerWaalsContact OE2-CD 3.23Å; E90-R102 WeakPolarHBondContact OE2-CD 3.48Å; E90-R102 IonicContact OE2-CZ 3.5Å; E90-R102 IonicContact OE2-NE 3.54Å; E90-R102 IonicContact OE2-NH1 2.86Å; E90-R102 PolarHBondContact OE2-NH1 2.77Å; V91-R102 CarbonylContact O-C 3.57Å; V91-R102 WeakPolarHBondContact O-CA 3.29Å; E92-R102 HydrophobicContact CG-CB 4.28Å; E92-R102 HydrophobicContact CG-CG 4.02Å; R102-Y117 PolarHBondContact N-O 3.24Å; R102-I118 HydrophobicContact CB-CB 4.48Å; R102-I118 HydrophobicContact CB-CG1 4.31Å; R102-I118 CarbonylContact O-C 3.59Å; R102-I118 WeakPolarHBondContact O-CA 3.39Å; R102-C119 PolarHBondContact O-N 2.97Å
103	F	98.8	Very high	97.7	Very high	1 Å²	1	58.8 Å²	58.8	0%	0.004	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	133.4	166.9	-70.1	-87.5	0	0	0	108.9	E90 V91 L93 C119 I121 F134 F139 A143 Y144	E90-F103 CarbonylContact C-O 3.36Å; E90-F103 VanDerWaalsContact CA-O 3.23Å; E90-F103 WeakPolarHBondContact CA-O 3.3Å; V91-F103 HydrophobicContact CG1-CB 3.74Å; V91-F103 PolarHBondContact N-O 3.1Å; V91-F103 PolarHBondContact O-N 2.87Å; L93-F103 HydrophobicContact CD1-CE2 4.46Å; L93-F103 HydrophobicContact CD2-CD2 3.74Å; L93-F103 HydrophobicContact CD2-CE2 3.73Å; L93-F103 HydrophobicContact CG-CD2 4.36Å; L93-F103 HydrophobicContact CG-CE2 4.3Å; F103-C119 CarbonylContact C-O 3.47Å; F103-C119 WeakPolarHBondContact CA-O 3.38Å; F103-C119 HydrophobicContact CD1-CB 3.59Å; F103-C119 HydrophobicContact CE1-CB 3.58Å; F103-I121 HydrophobicContact CD1-CD1 3.7Å; F103-I121 HydrophobicContact CE1-CD1 4.38Å; F103-F134 HydrophobicContact CB-CE1 4.07Å; F103-F134 HydrophobicContact CB-CZ 3.9Å; F103-F134 HydrophobicContact CD1-CZ 4.34Å; F103-F134 HydrophobicContact CG-CE1 4.27Å; F103-F134 HydrophobicContact CG-CZ 4.25Å; F103-F139 HydrophobicContact CD1-CB 4.28Å; F103-F139 HydrophobicContact CE1-CB 3.81Å; F103-F139 HydrophobicContact CZ-CB 3.97Å; F103-F139 WeakPolarHBondContact CZ-O 3.48Å; F103-A143 HydrophobicContact CE1-CB 3.84Å; F103-A143 HydrophobicContact CZ-CB 3.95Å; F103-Y144 HydrophobicContact CE1-CE2 4.18Å; F103-Y144 AromaticContact CE2-CE2 3.86Å; F103-Y144 HydrophobicContact CE2-CE2 3.86Å; F103-Y144 HydrophobicContact CZ-CD2 4.03Å; F103-Y144 AromaticContact CZ-CE2 3.46Å; F103-Y144 HydrophobicContact CZ-CE2 3.46Å; F103-Y144 VanDerWaalsContact CZ-CE2 3.46Å
104	R	98.5	Very high	97.6	Very high	51 Å²	51	62.2 Å²	62.2	19%	0.192	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	111	174.7	179.1	170.6	-173.1	168.4	0.4	109.5	F89 E90 C119 T120 I121	F89-R104 WeakPolarHBondContact O-CA 3.33Å; E90-R104 HydrophobicContact CG-CB 3.85Å; E90-R104 HydrophobicContact CG-CG 3.7Å; E90-R104 WeakPolarHBondContact OE1-CD 3.26Å; E90-R104 IonicContact OE1-CZ 3.34Å; E90-R104 IonicContact OE1-NE 2.87Å; E90-R104 PolarHBondContact OE1-NE 2.92Å; E90-R104 IonicContact OE1-NH1 3.39Å; E90-R104 PolarHBondContact OE1-NH1 2.77Å; R104-C119 PolarHBondContact N-O 2.83Å; R104-T120 HydrophobicContact CB-CG2 4.22Å; R104-T120 CarbonylContact O-C 3.55Å; R104-T120 VanDerWaalsContact O-CA 3.3Å; R104-T120 WeakPolarHBondContact O-CA 3.44Å; R104-I121 PolarHBondContact O-N 3.44Å
105	A	98.4	Very high	97.6	Very high	2 Å²	2	66.7 Å²	66.7	2%	0.017	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.9	174	0	0	0	0	0	109.5	A88 F89 I121 L123 F134	A88-A105 CarbonylContact C-O 3.55Å; A88-A105 WeakPolarHBondContact CA-O 3.45Å; A88-A105 WeakPolarHBondContact CB-O 3.4Å; F89-A105 HydrophobicContact CD1-CB 4.04Å; F89-A105 HydrophobicContact CE1-CB 3.47Å; F89-A105 VanDerWaalsContact CE1-CB 3.47Å; F89-A105 HydrophobicContact CE2-CB 4.14Å; F89-A105 HydrophobicContact CZ-CB 3.52Å; F89-A105 PolarHBondContact N-O 2.84Å; F89-A105 PolarHBondContact O-N 3.26Å; A105-I121 WeakPolarHBondContact CA-O 3.3Å; A105-L123 HydrophobicContact CB-CB 4.33Å; A105-F134 HydrophobicContact CB-CE2 4.25Å
106	N	98	Very high	97.5	Very high	1 Å²	1	70.8 Å²	70.8	1%	0.005	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	154.3	-175.5	71.2	77.4	0	0	0	113.8	F87 A88 F108 Q109 I121 P122 L123	F87-N106 WeakPolarHBondContact O-CA 3.45Å; A88-N106 HydrophobicContact CB-CB 3.61Å; N106-F108 HydrophobicContact CB-CD1 4.06Å; N106-F108 HydrophobicContact CB-CE1 3.46Å; N106-F108 VanDerWaalsContact CB-CE1 3.46Å; N106-F108 HydrophobicContact CB-CE2 4.21Å; N106-F108 HydrophobicContact CB-CZ 3.56Å; N106-F108 WeakPolarHBondContact OD1-CD2 3.33Å; N106-F108 WeakPolarHBondContact OD1-CE2 3.29Å; N106-F108 PolarHBondContact OD1-N 2.83Å; N106-Q109 WeakPolarHBondContact OD1-CB 3.38Å; N106-Q109 PolarHBondContact OD1-N 3.16Å; N106-I121 PolarHBondContact N-O 2.94Å; N106-I121 VanDerWaalsContact N-O 3.07Å; N106-P122 CarbonylContact O-C 3.54Å; N106-L123 WeakPolarHBondContact O-CB 3.45Å; N106-L123 PolarHBondContact O-N 2.8Å
107	N	97.3	Very high	97.5	Very high	45 Å²	45	75.5 Å²	75.5	24%	0.241	38%	0.383	C	S	.	.	S	Bend	trans	-96.4	13.3	-173.3	70.6	-9.7	0	0	0	115.6	R85 Y86 F87 L123	R85-N107 PolarHBondContact O-ND2 2.92Å; Y86-N107 WeakPolarHBondContact CA-OD1 3.18Å; F87-N107 PolarHBondContact N-OD1 2.85Å; F87-N107 PolarHBondContact O-N 3.16Å; F87-N107 VanDerWaalsContact O-N 3.14Å; F87-N107 PolarHBondContact O-OD1 3.31Å; N107-L123 VanDerWaalsContact CA-O 3.25Å; N107-L123 WeakPolarHBondContact CA-O 3.34Å; N107-L123 WeakPolarHBondContact CB-O 3.34Å
108	F	95.9	Very high	97.5	Very high	90 Å²	90	69.6 Å²	69.6	40%	0.395	36%	0.358	S	S	.	.	S	Bend	trans	-121.2	-3.6	-179.3	51.2	-94	0	0	0	113.6	I54 Y86 A88 N106	I54-F108 HydrophobicContact CD1-CD1 4.31Å; I54-F108 HydrophobicContact CD1-CE1 3.25Å; I54-F108 HydrophobicContact CD1-CZ 3.75Å; Y86-F108 HydrophobicContact CD1-CB 3.65Å; Y86-F108 HydrophobicContact CD1-CD1 4.2Å; Y86-F108 HydrophobicContact CD1-CG 4.31Å; Y86-F108 HydrophobicContact CE1-CB 3.73Å; Y86-F108 HydrophobicContact CG-CB 4.2Å; Y86-F108 HydrophobicContact CG-CD1 4.1Å; Y86-F108 HydrophobicContact CG-CG 4.42Å; A88-F108 HydrophobicContact CB-CE1 4.33Å; N106-F108 HydrophobicContact CB-CD1 4.06Å; N106-F108 HydrophobicContact CB-CE1 3.46Å; N106-F108 VanDerWaalsContact CB-CE1 3.46Å; N106-F108 HydrophobicContact CB-CE2 4.21Å; N106-F108 HydrophobicContact CB-CZ 3.56Å; N106-F108 WeakPolarHBondContact OD1-CD2 3.33Å; N106-F108 WeakPolarHBondContact OD1-CE2 3.29Å; N106-F108 PolarHBondContact OD1-N 2.83Å
109	Q	94.5	Very high	97.6	Very high	45 Å²	45	67.2 Å²	67.2	21%	0.21	33%	0.333	C	S	.	.			trans	-101	145.6	171.6	-167.3	178	-61.4	0	0	109.9	N106 N111 T120 P122	N106-Q109 WeakPolarHBondContact OD1-CB 3.38Å; N106-Q109 PolarHBondContact OD1-N 3.16Å; Q109-N111 PolarHBondContact NE2-O 3.14Å; Q109-T120 PolarHBondContact NE2-O 2.89Å; Q109-T120 PolarHBondContact NE2-OG1 2.81Å; Q109-T120 PolarHBondContact OE1-OG1 2.92Å; Q109-P122 VanDerWaalsContact O-CB 3.22Å; Q109-P122 WeakPolarHBondContact O-CB 3.44Å
110	S	95.6	Very high	97.6	Very high	97 Å²	97	66.5 Å²	66.5	68%	0.678	33%	0.329	S	S	*	.			trans	-100.2	-28.3	-177.8	51.4	0	0	0	0	114.8
111	N	96.9	Very high	97.6	Very high	105 Å²	105	63.9 Å²	63.9	56%	0.561	31%	0.312	S	S	*	.	S	Bend	trans	-125.8	142.1	-171.6	-64.5	-38.7	0	0	0	111	Q109	Q109-N111 PolarHBondContact NE2-O 3.14Å
112	T	97.3	Very high	97.6	Very high	82 Å²	82	64.5 Å²	64.5	50%	0.503	32%	0.32	S	S	.	.			trans	-65.5	138.1	171.6	-59.1	0	0	0	0	111	T120 I121 P122	T112-T120 CarbonylContact C-O 3.52Å; T112-T120 VanDerWaalsContact CA-O 3.25Å; T112-T120 WeakPolarHBondContact CA-O 3.3Å; T112-I121 HydrophobicContact CG2-CG1 4.21Å; T112-P122 WeakPolarHBondContact OG1-CD 3.18Å
113	R	97.5	Very high	97.5	Very high	161 Å²	161	61.2 Å²	61.2	61%	0.608	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.7	122.4	174.3	-58.6	-179	-179.9	-144.7	1.2	110.4	C119 T120	R113-C119 CarbonylContact O-C 3.54Å; R113-C119 WeakPolarHBondContact O-CA 3.36Å; R113-T120 PolarHBondContact N-O 3Å; R113-T120 PolarHBondContact O-N 2.81Å
114	T	97.7	Very high	97.3	Very high	73 Å²	73	72.6 Å²	72.6	45%	0.448	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.7	178.3	-52.6	0	0	0	0	110.2	A143 Y144	T114-A143 HydrophobicContact CG2-CB 4.14Å; T114-Y144 HydrophobicContact CG2-CD1 4.38Å; T114-Y144 HydrophobicContact CG2-CE1 3.88Å
115	K	97.8	Very high	97.2	Very high	138 Å²	138	71.4 Å²	71.4	60%	0.6	35%	0.349	S	S	*	.			trans	-117.2	167.4	168.8	-65.4	-172.8	178.3	-175.2	0	108.5	Y117 I118 Y144	K115-Y117 VanDerWaalsContact C-N 3.3Å; K115-Y117 PolarHBondContact O-N 3.14Å; K115-Y117 VanDerWaalsContact O-N 3.13Å; K115-I118 WeakPolarHBondContact CA-O 3.4Å; K115-I118 HydrophobicContact CB-CG2 3.95Å; K115-I118 WeakPolarHBondContact CB-O 3.23Å; K115-I118 HydrophobicContact CD-CG2 4.2Å; K115-I118 HydrophobicContact CG-CG2 4.46Å; K115-I118 PolarHBondContact N-O 2.78Å; K115-I118 PolarHBondContact O-N 2.78Å; K115-Y144 WeakPolarHBondContact O-CE1 3.45Å
116	P	97	Very high	97.1	Very high	87 Å²	87	77.2 Å²	77.2	57%	0.565	38%	0.38	S	S	*	.	S	Bend	trans	-50.5	-43.9	-176.9	-31.4	36.9	0	0	0	114.5	R101 Y144	R101-P116 WeakPolarHBondContact CD-O 3.33Å; R101-P116 PolarHBondContact NH1-O 2.89Å; P116-Y144 WeakPolarHBondContact O-CE1 3.31Å
117	Y	97.7	Very high	96.9	Very high	163 Å²	163	83 Å²	83	64%	0.639	41%	0.411	S	S	*	.	S	Bend	trans	-110.4	-5.9	-175.2	-53.1	-71.3	0	0	0	114.4	T99 R102 K115	T99-Y117 HydrophobicContact CG2-CD1 4.11Å; T99-Y117 HydrophobicContact CG2-CE1 4.02Å; R102-Y117 PolarHBondContact N-O 3.24Å; K115-Y117 VanDerWaalsContact C-N 3.3Å; K115-Y117 PolarHBondContact O-N 3.14Å; K115-Y117 VanDerWaalsContact O-N 3.13Å
118	I	98.4	Very high	96.8	Very high	37 Å²	37	81.8 Å²	81.8	19%	0.19	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	134.6	-177.4	-171.3	174.3	0	0	0	111.6	R102 K115 T120 Y144	R102-I118 HydrophobicContact CB-CB 4.48Å; R102-I118 HydrophobicContact CB-CG1 4.31Å; R102-I118 CarbonylContact O-C 3.59Å; R102-I118 WeakPolarHBondContact O-CA 3.39Å; K115-I118 WeakPolarHBondContact CA-O 3.4Å; K115-I118 HydrophobicContact CB-CG2 3.95Å; K115-I118 WeakPolarHBondContact CB-O 3.23Å; K115-I118 HydrophobicContact CD-CG2 4.2Å; K115-I118 HydrophobicContact CG-CG2 4.46Å; K115-I118 PolarHBondContact N-O 2.78Å; K115-I118 PolarHBondContact O-N 2.78Å; I118-T120 HydrophobicContact CD1-CG2 4.14Å; I118-T120 HydrophobicContact CG1-CG2 4.29Å; I118-Y144 VanDerWaalsContact C-OH 3.29Å
119	C	98.5	Very high	96.8	Very high	3 Å²	3	78.8 Å²	78.8	2%	0.02	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	121.9	168.8	179.8	0	0	0	0	109.1	R102 F103 R104 R113 A143 Y144	R102-C119 PolarHBondContact O-N 2.97Å; F103-C119 CarbonylContact C-O 3.47Å; F103-C119 WeakPolarHBondContact CA-O 3.38Å; F103-C119 HydrophobicContact CD1-CB 3.59Å; F103-C119 HydrophobicContact CE1-CB 3.58Å; R104-C119 PolarHBondContact N-O 2.83Å; R113-C119 CarbonylContact O-C 3.54Å; R113-C119 WeakPolarHBondContact O-CA 3.36Å; C119-A143 HydrophobicContact CB-CB 4.35Å; C119-Y144 PolarHBondContact N-OH 3.15Å
120	T	98.5	Very high	96.9	Very high	21 Å²	21	77.5 Å²	77.5	13%	0.129	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.7	176	57.7	0	0	0	0	109.9	R104 Q109 T112 R113 I118	R104-T120 HydrophobicContact CB-CG2 4.22Å; R104-T120 CarbonylContact O-C 3.55Å; R104-T120 VanDerWaalsContact O-CA 3.3Å; R104-T120 WeakPolarHBondContact O-CA 3.44Å; Q109-T120 PolarHBondContact NE2-O 2.89Å; Q109-T120 PolarHBondContact NE2-OG1 2.81Å; Q109-T120 PolarHBondContact OE1-OG1 2.92Å; T112-T120 CarbonylContact C-O 3.52Å; T112-T120 VanDerWaalsContact CA-O 3.25Å; T112-T120 WeakPolarHBondContact CA-O 3.3Å; R113-T120 PolarHBondContact N-O 3Å; R113-T120 PolarHBondContact O-N 2.81Å; I118-T120 HydrophobicContact CD1-CG2 4.14Å; I118-T120 HydrophobicContact CG1-CG2 4.29Å
121	I	98	Very high	96.8	Very high	16 Å²	16	75.1 Å²	75.1	8%	0.082	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.1	-171.8	-61.9	160.7	0	0	0	109	F103 R104 A105 N106 T112 L123 F134 F139	F103-I121 HydrophobicContact CD1-CD1 3.7Å; F103-I121 HydrophobicContact CE1-CD1 4.38Å; R104-I121 PolarHBondContact O-N 3.44Å; A105-I121 WeakPolarHBondContact CA-O 3.3Å; N106-I121 PolarHBondContact N-O 2.94Å; N106-I121 VanDerWaalsContact N-O 3.07Å; T112-I121 HydrophobicContact CG2-CG1 4.21Å; I121-L123 PolarHBondContact O-N 2.96Å; I121-F134 HydrophobicContact CD1-CE2 3.91Å; I121-F134 HydrophobicContact CD1-CZ 3.6Å; I121-F139 HydrophobicContact CD1-CD1 3.68Å; I121-F139 HydrophobicContact CD1-CE1 3.69Å; I121-F139 HydrophobicContact CD1-CG 4.24Å; I121-F139 HydrophobicContact CD1-CZ 4.25Å; I121-F139 HydrophobicContact CG2-CE1 4.5Å
122	P	97.7	Very high	96.8	Very high	42 Å²	42	70.9 Å²	70.9	27%	0.273	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	132	172.4	29.6	-35.2	0	0	0	110.5	N106 Q109 T112	N106-P122 CarbonylContact O-C 3.54Å; Q109-P122 VanDerWaalsContact O-CB 3.22Å; Q109-P122 WeakPolarHBondContact O-CB 3.44Å; T112-P122 WeakPolarHBondContact OG1-CD 3.18Å
123	L	97.1	Very high	96.7	Very high	25 Å²	25	70.6 Å²	70.6	13%	0.131	34%	0.344	C	S	.	.			trans	-113	118.6	177.1	179.7	66.7	0	0	0	108.7	F87 F89 A105 N106 N107 I121 L125 V132	F87-L123 HydrophobicContact CD1-CD2 4.02Å; F87-L123 HydrophobicContact CE1-CD2 3.9Å; F89-L123 HydrophobicContact CD1-CD2 4.32Å; F89-L123 HydrophobicContact CE1-CD2 4.03Å; A105-L123 HydrophobicContact CB-CB 4.33Å; N106-L123 WeakPolarHBondContact O-CB 3.45Å; N106-L123 PolarHBondContact O-N 2.8Å; N107-L123 VanDerWaalsContact CA-O 3.25Å; N107-L123 WeakPolarHBondContact CA-O 3.34Å; N107-L123 WeakPolarHBondContact CB-O 3.34Å; I121-L123 PolarHBondContact O-N 2.96Å; L123-L125 HydrophobicContact CD1-CD2 4.26Å; L123-L125 HydrophobicContact CD2-CD1 4.26Å; L123-L125 HydrophobicContact CD2-CD2 4.06Å; L123-L125 HydrophobicContact CD2-CG 4.15Å; L123-L125 HydrophobicContact CG-CD2 4.05Å; L123-L125 HydrophobicContact CG-CG 4.09Å; L123-V132 HydrophobicContact CD1-CG1 3.85Å; L123-V132 HydrophobicContact CD1-CG2 4.27Å
124	R	95.6	Very high	96.7	Very high	241 Å²	241	63.3 Å²	63.3	91%	0.909	32%	0.316	S	S	*	.			trans	-95.7	133.6	169.4	-64.2	-176.2	-177.7	-176.4	0.7	108.3
125	L	95.8	Very high	96.7	Very high	25 Å²	25	61.5 Å²	61.5	13%	0.131	30%	0.304	C	S	.	.			trans	-124.7	133.7	176.4	-64.4	175.3	0	0	0	108.3	V80 N82 F87 L123 N130 V132	V80-L125 HydrophobicContact CG1-CD2 4.48Å; N82-L125 HydrophobicContact CB-CB 3.95Å; N82-L125 HydrophobicContact CB-CD1 4.25Å; N82-L125 PolarHBondContact ND2-O 2.84Å; F87-L125 HydrophobicContact CD1-CD1 3.87Å; F87-L125 HydrophobicContact CE1-CD1 4.43Å; L123-L125 HydrophobicContact CD1-CD2 4.26Å; L123-L125 HydrophobicContact CD2-CD1 4.26Å; L123-L125 HydrophobicContact CD2-CD2 4.06Å; L123-L125 HydrophobicContact CD2-CG 4.15Å; L123-L125 HydrophobicContact CG-CD2 4.05Å; L123-L125 HydrophobicContact CG-CG 4.09Å; L125-N130 HydrophobicContact CD2-CB 4.01Å; L125-V132 HydrophobicContact CD2-CG2 3.69Å
126	D	95.7	Very high	96.8	Very high	125 Å²	125	55 Å²	55	67%	0.668	28%	0.276	S	S	*	.			trans	-71.7	169.4	170.8	-64.7	-40.3	0	0	0	110.4	N82 N130	N82-D126 WeakPolarHBondContact CB-O 3.41Å; N82-D126 PolarHBondContact ND2-O 2.74Å; D126-N130 PolarHBondContact N-OD1 3.12Å; D126-N130 PolarHBondContact O-ND2 3.18Å
127	N	94.1	Very high	96.8	Very high	123 Å²	123	52.5 Å²	52.5	66%	0.658	26%	0.263	S	S	*	.	S	Bend	trans	-66	137.8	173.7	-72.3	-34	0	0	0	110.3	K84	K84-N127 WeakPolarHBondContact CE-OD1 3.2Å
128	G	95.3	Very high	96.8	Very high	19 Å²	19	47.3 Å²	47.3	20%	0.196	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	80.3	-142	178.5	0	0	0	0	0	112.9	K81 N82 N130	K81-G128 CarbonylContact C-O 3.56Å; K81-G128 WeakPolarHBondContact CA-O 3.41Å; N82-G128 PolarHBondContact N-O 3.49Å; G128-N130 PolarHBondContact O-ND2 3Å
129	W	96.6	Very high	96.8	Very high	26 Å²	26	47.7 Å²	47.7	10%	0.098	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	136	-173.9	-75.5	99.1	0	0	0	112.8	D39 I42 V46 V79 K81 R161 R163 L183	D39-W129 HydrophobicContact CB-CZ2 4.13Å; D39-W129 PolarHBondContact OD1-NE1 3.24Å; I42-W129 HydrophobicContact CD1-CH2 4.32Å; I42-W129 HydrophobicContact CD1-CZ2 3.73Å; I42-W129 HydrophobicContact CG1-CZ2 4.19Å; I42-W129 HydrophobicContact CG2-CG 4.43Å; V46-W129 HydrophobicContact CB-CH2 4.15Å; V46-W129 HydrophobicContact CB-CZ2 4.5Å; V46-W129 HydrophobicContact CG1-CH2 3.57Å; V46-W129 HydrophobicContact CG1-CZ2 3.73Å; V79-W129 HydrophobicContact CG1-CE3 4.02Å; V79-W129 HydrophobicContact CG1-CZ3 4.29Å; K81-W129 HydrophobicContact CB-CD2 3.84Å; K81-W129 HydrophobicContact CB-CE3 3.94Å; K81-W129 HydrophobicContact CB-CG 4.41Å; K81-W129 HydrophobicContact CB-CH2 4.03Å; K81-W129 HydrophobicContact CB-CZ2 3.96Å; K81-W129 HydrophobicContact CB-CZ3 4.03Å; K81-W129 HydrophobicContact CD-CZ2 4.19Å; K81-W129 HydrophobicContact CG-CD2 4.13Å; K81-W129 HydrophobicContact CG-CG 4.25Å; K81-W129 HydrophobicContact CG-CZ2 4.47Å; W129-R161 HydrophobicContact CH2-CB 4.05Å; W129-R161 HydrophobicContact CZ2-CB 4.39Å; W129-R163 HydrophobicContact CE3-CB 4.43Å; W129-R163 HydrophobicContact CH2-CB 3.83Å; W129-R163 HydrophobicContact CZ3-CB 3.54Å; W129-L183 HydrophobicContact CB-CD1 4.48Å; W129-L183 HydrophobicContact CB-CD2 3.37Å; W129-L183 HydrophobicContact CD2-CD1 4.16Å; W129-L183 HydrophobicContact CE3-CD1 4.26Å; W129-L183 HydrophobicContact CG-CD1 4.27Å; W129-L183 HydrophobicContact CG-CD2 3.96Å
130	N	95.5	Very high	96.8	Very high	18 Å²	18	47.6 Å²	47.6	10%	0.096	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142.6	-178.5	-69	-106.1	0	0	0	110	V79 V80 L125 D126 G128 V132	V79-N130 WeakPolarHBondContact CA-O 3.39Å; V80-N130 HydrophobicContact CG1-CB 4.47Å; V80-N130 PolarHBondContact N-O 2.82Å; V80-N130 PolarHBondContact O-N 3.22Å; L125-N130 HydrophobicContact CD2-CB 4.01Å; D126-N130 PolarHBondContact N-OD1 3.12Å; D126-N130 PolarHBondContact O-ND2 3.18Å; G128-N130 PolarHBondContact O-ND2 3Å; N130-V132 HydrophobicContact CB-CG2 4.48Å
131	S	94.3	Very high	96.8	Very high	47 Å²	47	51.8 Å²	51.8	33%	0.329	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	107.9	163	-173.1	0	0	0	0	109	V77 H133	V77-S131 WeakPolarHBondContact CG1-OG 3.1Å; S131-H133 PolarHBondContact O-CD2 2.97Å; S131-H133 PolarHBondContact OG-CD2 2.89Å; S131-H133 PolarHBondContact OG-NE2 2.99Å
132	V	95.8	Very high	96.8	Very high	16 Å²	16	58.4 Å²	58.4	10%	0.097	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	110.5	-179.6	-179.6	0	0	0	0	108.9	V77 L78 V80 F89 L123 L125 N130	V77-V132 VanDerWaalsContact CA-O 3.3Å; V77-V132 WeakPolarHBondContact CA-O 3.41Å; L78-V132 HydrophobicContact CB-CB 4.43Å; L78-V132 PolarHBondContact N-O 2.74Å; L78-V132 PolarHBondContact O-N 2.87Å; V80-V132 HydrophobicContact CG1-CG2 4.01Å; F89-V132 HydrophobicContact CE1-CG1 4.07Å; F89-V132 HydrophobicContact CZ-CG1 4.22Å; L123-V132 HydrophobicContact CD1-CG1 3.85Å; L123-V132 HydrophobicContact CD1-CG2 4.27Å; L125-V132 HydrophobicContact CD2-CG2 3.69Å; N130-V132 HydrophobicContact CB-CG2 4.48Å
133	H	96.2	Very high	96.8	Very high	76 Å²	76	57.6 Å²	57.6	35%	0.352	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	121.6	176.6	-63.6	-108.4	0	0	0	110.5	S131	S131-H133 PolarHBondContact O-CD2 2.97Å; S131-H133 PolarHBondContact OG-CD2 2.89Å; S131-H133 PolarHBondContact OG-NE2 2.99Å
134	F	97.4	Very high	96.8	Very high	8 Å²	8	58.1 Å²	58.1	4%	0.035	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	108.5	-175.6	-158.4	-92.2	0	0	0	110.6	Y75 L76 F89 V91 F103 A105 I121 L136 F139	Y75-F134 WeakPolarHBondContact CA-O 3.22Å; L76-F134 HydrophobicContact CB-CB 4.32Å; L76-F134 PolarHBondContact N-O 3.05Å; L76-F134 WeakPolarHBondContact O-CB 2.96Å; L76-F134 PolarHBondContact O-N 3Å; F89-F134 HydrophobicContact CE2-CD2 4.28Å; F89-F134 HydrophobicContact CE2-CG 4.43Å; F89-F134 AromaticContact CZ-CD2 3.87Å; F89-F134 HydrophobicContact CZ-CD2 3.87Å; F89-F134 HydrophobicContact CZ-CE2 4.37Å; F89-F134 HydrophobicContact CZ-CG 4.33Å; V91-F134 HydrophobicContact CG1-CD1 4.47Å; V91-F134 HydrophobicContact CG1-CE1 4.12Å; F103-F134 HydrophobicContact CB-CE1 4.07Å; F103-F134 HydrophobicContact CB-CZ 3.9Å; F103-F134 HydrophobicContact CD1-CZ 4.34Å; F103-F134 HydrophobicContact CG-CE1 4.27Å; F103-F134 HydrophobicContact CG-CZ 4.25Å; A105-F134 HydrophobicContact CB-CE2 4.25Å; I121-F134 HydrophobicContact CD1-CE2 3.91Å; I121-F134 HydrophobicContact CD1-CZ 3.6Å; F134-L136 HydrophobicContact CD1-CD2 3.6Å; F134-L136 HydrophobicContact CD1-CG 4.16Å; F134-L136 HydrophobicContact CE1-CD2 3.87Å; F134-L136 PolarHBondContact O-N 2.9Å; F134-F139 AromaticContact CD1-CD2 3.66Å; F134-F139 HydrophobicContact CD1-CD2 3.66Å; F134-F139 AromaticContact CD1-CE2 3.98Å; F134-F139 HydrophobicContact CD1-CE2 3.98Å; F134-F139 HydrophobicContact CD2-CD2 4.02Å; F134-F139 AromaticContact CD2-CE2 3.51Å; F134-F139 HydrophobicContact CD2-CE2 3.51Å; F134-F139 HydrophobicContact CD2-CZ 4.26Å; F134-F139 HydrophobicContact CE1-CB 4.28Å; F134-F139 AromaticContact CE1-CD2 3.32Å; F134-F139 HydrophobicContact CE1-CD2 3.32Å; F134-F139 AromaticContact CE1-CE2 3.86Å; F134-F139 HydrophobicContact CE1-CE2 3.86Å; F134-F139 AromaticContact CE1-CG 3.99Å; F134-F139 HydrophobicContact CE1-CG 3.99Å; F134-F139 AromaticContact CE2-CD2 3.71Å; F134-F139 HydrophobicContact CE2-CD2 3.71Å; F134-F139 AromaticContact CE2-CE2 3.36Å; F134-F139 HydrophobicContact CE2-CE2 3.36Å; F134-F139 HydrophobicContact CE2-CG 4.48Å; F134-F139 AromaticContact CE2-CZ 3.86Å; F134-F139 HydrophobicContact CE2-CZ 3.86Å; F134-F139 HydrophobicContact CG-CD2 4Å; F134-F139 AromaticContact CG-CE2 3.82Å; F134-F139 HydrophobicContact CG-CE2 3.82Å; F134-F139 HydrophobicContact CZ-CB 4.47Å; F134-F139 HydrophobicContact CZ-CD1 4.45Å; F134-F139 AromaticContact CZ-CD2 3.35Å; F134-F139 HydrophobicContact CZ-CD2 3.35Å; F134-F139 AromaticContact CZ-CE2 3.55Å; F134-F139 HydrophobicContact CZ-CE2 3.55Å; F134-F139 AromaticContact CZ-CG 3.87Å; F134-F139 HydrophobicContact CZ-CG 3.87Å; F134-F139 HydrophobicContact CZ-CZ 4.2Å
135	N	98	Very high	97	Very high	36 Å²	36	48.9 Å²	48.9	19%	0.193	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	90.9	179.5	-172.8	-20.7	0	0	0	110.7	Y75 A137 D138 F139	Y75-N135 HydrophobicContact CD1-CB 3.99Å; Y75-N135 HydrophobicContact CE1-CB 3.72Å; Y75-N135 WeakPolarHBondContact CE1-ND2 3.34Å; Y75-N135 PolarHBondContact OH-ND2 3.39Å; N135-A137 VanDerWaalsContact C-N 3.29Å; N135-A137 PolarHBondContact O-N 3.37Å; N135-A137 PolarHBondContact OD1-N 3.28Å; N135-D138 HydrophobicContact CB-CB 4Å; N135-D138 WeakPolarHBondContact ND2-CB 3.16Å; N135-D138 PolarHBondContact O-N 2.91Å; N135-D138 WeakPolarHBondContact OD1-CB 3.23Å; N135-D138 PolarHBondContact OD1-N 2.81Å; N135-D138 VanDerWaalsContact OD1-N 3.07Å; N135-F139 WeakPolarHBondContact O-CB 3.44Å; N135-F139 WeakPolarHBondContact O-CD2 3.5Å; N135-F139 PolarHBondContact O-N 2.82Å
136	L	98.6	Very high	97.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-38.1	-175.8	-63	163.2	0	0	0	112.2	P74 L76 V91 L93 F134 T140 Y148 T151 F167	P74-L136 VanDerWaalsContact O-CB 3.29Å; P74-L136 WeakPolarHBondContact O-CB 3.32Å; P74-L136 PolarHBondContact O-N 3.27Å; L76-L136 HydrophobicContact CB-CD1 4.01Å; L76-L136 HydrophobicContact CB-CG 4.34Å; V91-L136 HydrophobicContact CB-CD2 4.34Å; V91-L136 HydrophobicContact CG1-CD2 3.66Å; V91-L136 HydrophobicContact CG2-CD2 3.82Å; L93-L136 HydrophobicContact CD2-CB 4.32Å; L93-L136 HydrophobicContact CD2-CD2 3.93Å; F134-L136 HydrophobicContact CD1-CD2 3.6Å; F134-L136 HydrophobicContact CD1-CG 4.16Å; F134-L136 HydrophobicContact CE1-CD2 3.87Å; F134-L136 PolarHBondContact O-N 2.9Å; L136-T140 VanDerWaalsContact O-CB 3.26Å; L136-T140 WeakPolarHBondContact O-CB 3.39Å; L136-T140 PolarHBondContact O-N 3.3Å; L136-T140 PolarHBondContact O-OG1 2.94Å; L136-Y148 HydrophobicContact CB-CD2 4.04Å; L136-Y148 HydrophobicContact CB-CE2 4.01Å; L136-Y148 HydrophobicContact CB-CG 4.32Å; L136-Y148 HydrophobicContact CD1-CE2 4.06Å; L136-T151 VanDerWaalsContact CD1-OG1 3.3Å; L136-T151 WeakPolarHBondContact CD1-OG1 3.31Å; L136-F167 HydrophobicContact CD1-CD1 4.38Å; L136-F167 HydrophobicContact CD1-CE1 3.77Å
137	A	98	Very high	97.2	Very high	36 Å²	36	46.1 Å²	46.1	30%	0.298	25%	0.249	S	C	.	.	H	α-helix	trans	-64.2	-49.6	-179.9	0	0	0	0	0	111.7	P74 N135 T140 K141 Y148	P74-A137 HydrophobicContact CB-CB 3.97Å; N135-A137 VanDerWaalsContact C-N 3.29Å; N135-A137 PolarHBondContact O-N 3.37Å; N135-A137 PolarHBondContact OD1-N 3.28Å; A137-T140 PolarHBondContact O-N 3.09Å; A137-K141 WeakPolarHBondContact O-CB 3.31Å; A137-K141 PolarHBondContact O-N 2.99Å; A137-Y148 HydrophobicContact CB-CD1 4.48Å
138	D	98.2	Very high	97.4	Very high	54 Å²	54	41.7 Å²	41.7	29%	0.289	22%	0.223	S	C	.	.	H	α-helix	trans	-68.8	-42.4	-180	172.7	49.2	0	0	0	112.2	N135 T140 K141 R142	N135-D138 HydrophobicContact CB-CB 4Å; N135-D138 WeakPolarHBondContact ND2-CB 3.16Å; N135-D138 PolarHBondContact O-N 2.91Å; N135-D138 WeakPolarHBondContact OD1-CB 3.23Å; N135-D138 PolarHBondContact OD1-N 2.81Å; N135-D138 VanDerWaalsContact OD1-N 3.07Å; D138-T140 PolarHBondContact O-N 2.85Å; D138-K141 PolarHBondContact O-N 2.82Å; D138-R142 WeakPolarHBondContact O-CG 3.15Å; D138-R142 PolarHBondContact O-N 3.43Å; D138-R142 IonicContact OD1-CZ 3.33Å; D138-R142 IonicContact OD1-NE 3.81Å; D138-R142 IonicContact OD1-NH1 2.71Å; D138-R142 PolarHBondContact OD1-NH1 2.82Å; D138-R142 IonicContact OD1-NH2 3.88Å; D138-R142 IonicContact OD2-CZ 2.84Å; D138-R142 IonicContact OD2-NE 3.89Å; D138-R142 IonicContact OD2-NH1 2.89Å; D138-R142 PolarHBondContact OD2-NH1 2.83Å; D138-R142 IonicContact OD2-NH2 2.66Å; D138-R142 PolarHBondContact OD2-NH2 2.9Å
139	F	97.9	Very high	97.6	Very high	45 Å²	45	43.5 Å²	43.5	20%	0.197	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-42.1	173.2	-80	-59.4	0	0	0	112.5	F103 I121 F134 N135 K141 R142 A143	F103-F139 HydrophobicContact CD1-CB 4.28Å; F103-F139 HydrophobicContact CE1-CB 3.81Å; F103-F139 HydrophobicContact CZ-CB 3.97Å; F103-F139 WeakPolarHBondContact CZ-O 3.48Å; I121-F139 HydrophobicContact CD1-CD1 3.68Å; I121-F139 HydrophobicContact CD1-CE1 3.69Å; I121-F139 HydrophobicContact CD1-CG 4.24Å; I121-F139 HydrophobicContact CD1-CZ 4.25Å; I121-F139 HydrophobicContact CG2-CE1 4.5Å; F134-F139 AromaticContact CD1-CD2 3.66Å; F134-F139 HydrophobicContact CD1-CD2 3.66Å; F134-F139 AromaticContact CD1-CE2 3.98Å; F134-F139 HydrophobicContact CD1-CE2 3.98Å; F134-F139 HydrophobicContact CD2-CD2 4.02Å; F134-F139 AromaticContact CD2-CE2 3.51Å; F134-F139 HydrophobicContact CD2-CE2 3.51Å; F134-F139 HydrophobicContact CD2-CZ 4.26Å; F134-F139 HydrophobicContact CE1-CB 4.28Å; F134-F139 AromaticContact CE1-CD2 3.32Å; F134-F139 HydrophobicContact CE1-CD2 3.32Å; F134-F139 AromaticContact CE1-CE2 3.86Å; F134-F139 HydrophobicContact CE1-CE2 3.86Å; F134-F139 AromaticContact CE1-CG 3.99Å; F134-F139 HydrophobicContact CE1-CG 3.99Å; F134-F139 AromaticContact CE2-CD2 3.71Å; F134-F139 HydrophobicContact CE2-CD2 3.71Å; F134-F139 AromaticContact CE2-CE2 3.36Å; F134-F139 HydrophobicContact CE2-CE2 3.36Å; F134-F139 HydrophobicContact CE2-CG 4.48Å; F134-F139 AromaticContact CE2-CZ 3.86Å; F134-F139 HydrophobicContact CE2-CZ 3.86Å; F134-F139 HydrophobicContact CG-CD2 4Å; F134-F139 AromaticContact CG-CE2 3.82Å; F134-F139 HydrophobicContact CG-CE2 3.82Å; F134-F139 HydrophobicContact CZ-CB 4.47Å; F134-F139 HydrophobicContact CZ-CD1 4.45Å; F134-F139 AromaticContact CZ-CD2 3.35Å; F134-F139 HydrophobicContact CZ-CD2 3.35Å; F134-F139 AromaticContact CZ-CE2 3.55Å; F134-F139 HydrophobicContact CZ-CE2 3.55Å; F134-F139 AromaticContact CZ-CG 3.87Å; F134-F139 HydrophobicContact CZ-CG 3.87Å; F134-F139 HydrophobicContact CZ-CZ 4.2Å; N135-F139 WeakPolarHBondContact O-CB 3.44Å; N135-F139 WeakPolarHBondContact O-CD2 3.5Å; N135-F139 PolarHBondContact O-N 2.82Å; F139-K141 VanDerWaalsContact C-N 3.35Å; F139-R142 PolarHBondContact O-N 2.89Å; F139-A143 VanDerWaalsContact O-CB 3.25Å; F139-A143 WeakPolarHBondContact O-CB 3.37Å; F139-A143 PolarHBondContact O-N 3.44Å
140	T	98.5	Very high	97.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-45.3	175.7	-56.9	0	0	0	0	110.9	L93 D95 L136 A137 D138 Y144 T146	L93-T140 HydrophobicContact CD1-CG2 4.15Å; D95-T140 HydrophobicContact CB-CG2 4.12Å; L136-T140 VanDerWaalsContact O-CB 3.26Å; L136-T140 WeakPolarHBondContact O-CB 3.39Å; L136-T140 PolarHBondContact O-N 3.3Å; L136-T140 PolarHBondContact O-OG1 2.94Å; A137-T140 PolarHBondContact O-N 3.09Å; D138-T140 PolarHBondContact O-N 2.85Å; T140-Y144 PolarHBondContact O-N 3.04Å; T140-T146 CarbonylContact C-O 3.55Å
141	K	98.4	Very high	97.8	Very high	109 Å²	109	42 Å²	42	47%	0.474	22%	0.223	S	C	.	.	H	α-helix	trans	-62.5	-47.1	179.1	-170.8	64.4	176.3	-179.8	0	112.3	A137 D138 F139 G145 T146	A137-K141 WeakPolarHBondContact O-CB 3.31Å; A137-K141 PolarHBondContact O-N 2.99Å; D138-K141 PolarHBondContact O-N 2.82Å; F139-K141 VanDerWaalsContact C-N 3.35Å; K141-G145 PolarHBondContact NZ-O 2.89Å; K141-G145 VanDerWaalsContact NZ-O 3.12Å; K141-G145 WeakPolarHBondContact O-CA 3.15Å; K141-G145 PolarHBondContact O-N 3.15Å; K141-T146 VanDerWaalsContact CA-O 3.28Å; K141-T146 WeakPolarHBondContact CA-O 3.23Å; K141-T146 PolarHBondContact N-O 3.01Å
142	R	97.6	Very high	98	Very high	156 Å²	156	40.3 Å²	40.3	59%	0.589	21%	0.212	S	C	*	.	H	α-helix	trans	-69.3	-39.5	-179.3	-72.4	-165.1	-65.1	-115	-4.7	113.4	D138 F139	D138-R142 WeakPolarHBondContact O-CG 3.15Å; D138-R142 PolarHBondContact O-N 3.43Å; D138-R142 IonicContact OD1-CZ 3.33Å; D138-R142 IonicContact OD1-NE 3.81Å; D138-R142 IonicContact OD1-NH1 2.71Å; D138-R142 PolarHBondContact OD1-NH1 2.82Å; D138-R142 IonicContact OD1-NH2 3.88Å; D138-R142 IonicContact OD2-CZ 2.84Å; D138-R142 IonicContact OD2-NE 3.89Å; D138-R142 IonicContact OD2-NH1 2.89Å; D138-R142 PolarHBondContact OD2-NH1 2.83Å; D138-R142 IonicContact OD2-NH2 2.66Å; D138-R142 PolarHBondContact OD2-NH2 2.9Å; F139-R142 PolarHBondContact O-N 2.89Å
143	A	97.9	Very high	98.1	Very high	24 Å²	24	40.9 Å²	40.9	20%	0.198	21%	0.212	C	C	.	.	H	α-helix	trans	-78	-36.5	-176.7	0	0	0	0	0	112.9	F103 T114 C119 F139	F103-A143 HydrophobicContact CE1-CB 3.84Å; F103-A143 HydrophobicContact CZ-CB 3.95Å; T114-A143 HydrophobicContact CG2-CB 4.14Å; C119-A143 HydrophobicContact CB-CB 4.35Å; F139-A143 VanDerWaalsContact O-CB 3.25Å; F139-A143 WeakPolarHBondContact O-CB 3.37Å; F139-A143 PolarHBondContact O-N 3.44Å
144	Y	98.1	Very high	98.2	Very high	36 Å²	36	37.3 Å²	37.3	14%	0.141	20%	0.196	C	C	.	.	H	α-helix	trans	-128.5	-6	-167.8	-54.1	-65.9	0	0	0	114.7	R101 F103 T114 K115 P116 I118 C119 T140 T146	R101-Y144 HydrophobicContact CB-CD2 4.25Å; R101-Y144 HydrophobicContact CB-CE2 3.62Å; R101-Y144 HydrophobicContact CG-CD2 3.77Å; R101-Y144 HydrophobicContact CG-CE2 3.62Å; R101-Y144 HydrophobicContact CG-CG 4.33Å; F103-Y144 HydrophobicContact CE1-CE2 4.18Å; F103-Y144 AromaticContact CE2-CE2 3.86Å; F103-Y144 HydrophobicContact CE2-CE2 3.86Å; F103-Y144 HydrophobicContact CZ-CD2 4.03Å; F103-Y144 AromaticContact CZ-CE2 3.46Å; F103-Y144 HydrophobicContact CZ-CE2 3.46Å; F103-Y144 VanDerWaalsContact CZ-CE2 3.46Å; T114-Y144 HydrophobicContact CG2-CD1 4.38Å; T114-Y144 HydrophobicContact CG2-CE1 3.88Å; K115-Y144 WeakPolarHBondContact O-CE1 3.45Å; P116-Y144 WeakPolarHBondContact O-CE1 3.31Å; I118-Y144 VanDerWaalsContact C-OH 3.29Å; C119-Y144 PolarHBondContact N-OH 3.15Å; T140-Y144 PolarHBondContact O-N 3.04Å; Y144-T146 PolarHBondContact O-N 2.85Å; Y144-T146 VanDerWaalsContact O-N 3.15Å
145	G	98.2	Very high	98.3	Very high	47 Å²	47	37.3 Å²	37.3	49%	0.485	20%	0.196	S	C	.	.	S	Bend	trans	70.7	-0.1	-175.7	0	0	0	0	0	114.5	K141	K141-G145 PolarHBondContact NZ-O 2.89Å; K141-G145 VanDerWaalsContact NZ-O 3.12Å; K141-G145 WeakPolarHBondContact O-CA 3.15Å; K141-G145 PolarHBondContact O-N 3.15Å
146	T	98.5	Very high	98.3	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.025	19%	0.187	C	C	.	.	S	Bend	trans	-98.2	169.7	-179.1	53.9	0	0	0	0	111.6	D95 K97 T140 K141 Y144	D95-T146 WeakPolarHBondContact CB-OG1 3.3Å; D95-T146 PolarHBondContact OD2-OG1 2.71Å; D95-T146 VanDerWaalsContact OD2-OG1 3.12Å; K97-T146 HydrophobicContact CB-CG2 4.48Å; K97-T146 HydrophobicContact CD-CG2 3.72Å; K97-T146 HydrophobicContact CG-CG2 3.75Å; T140-T146 CarbonylContact C-O 3.55Å; K141-T146 VanDerWaalsContact CA-O 3.28Å; K141-T146 WeakPolarHBondContact CA-O 3.23Å; K141-T146 PolarHBondContact N-O 3.01Å; Y144-T146 PolarHBondContact O-N 2.85Å; Y144-T146 VanDerWaalsContact O-N 3.15Å
147	N	98.6	Very high	98.3	Very high	89 Å²	89	35.9 Å²	35.9	48%	0.476	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-99.6	144.5	178.8	-55.4	-32.2	0	0	0	110	D95 S96	D95-N147 CarbonylContact C-O 3.5Å; D95-N147 WeakPolarHBondContact CA-O 3.38Å; S96-N147 PolarHBondContact N-O 2.96Å; S96-N147 PolarHBondContact OG-N 3.2Å; S96-N147 VanDerWaalsContact OG-N 3.1Å
148	Y	98.6	Very high	98.2	Very high	29 Å²	29	34.1 Å²	34.1	11%	0.114	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	136.2	170.7	167.8	-110.9	0	0	0	110.9	I71 K72 M73 L93 L136 A137 E150 T151	I71-Y148 PolarHBondContact O-OH 3.1Å; K72-Y148 WeakPolarHBondContact O-CE1 3.22Å; M73-Y148 VanDerWaalsContact O-CE1 3.26Å; M73-Y148 WeakPolarHBondContact O-CE1 3.4Å; M73-Y148 PolarHBondContact O-OH 3.1Å; L93-Y148 HydrophobicContact CB-CD2 4.09Å; L93-Y148 HydrophobicContact CB-CE2 3.98Å; L93-Y148 HydrophobicContact CD1-CD2 4.29Å; L93-Y148 HydrophobicContact CD2-CD2 3.93Å; L93-Y148 HydrophobicContact CD2-CE2 4.23Å; L93-Y148 HydrophobicContact CG-CD2 4.34Å; L136-Y148 HydrophobicContact CB-CD2 4.04Å; L136-Y148 HydrophobicContact CB-CE2 4.01Å; L136-Y148 HydrophobicContact CB-CG 4.32Å; L136-Y148 HydrophobicContact CD1-CE2 4.06Å; A137-Y148 HydrophobicContact CB-CD1 4.48Å; Y148-E150 VanDerWaalsContact CE2-C 3.4Å; Y148-T151 WeakPolarHBondContact CE2-OG1 3.38Å; Y148-T151 PolarHBondContact OH-N 3Å; Y148-T151 PolarHBondContact OH-OG1 2.8Å
149	V	98.4	Very high	98.2	Very high	57 Å²	57	31.9 Å²	31.9	35%	0.345	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-60.2	176.8	177.1	0	0	0	0	110.6	L94 D95	L94-V149 HydrophobicContact CB-CB 4.4Å; L94-V149 HydrophobicContact CD2-CG1 4.27Å; L94-V149 WeakPolarHBondContact O-CB 3.38Å; L94-V149 PolarHBondContact O-N 3.15Å; D95-V149 VanDerWaalsContact C-CG2 3.49Å
150	E	98.1	Very high	98.2	Very high	12 Å²	12	29.8 Å²	29.8	6%	0.056	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	151	177.5	60.9	176	-152.8	0	0	111.7	R3 G70 I71 K72 L93 L94 Y148	R3-E150 IonicContact CZ-OE1 2.61Å; R3-E150 IonicContact NE-OE1 3.46Å; R3-E150 PolarHBondContact NE-OE1 2.88Å; R3-E150 IonicContact NE-OE2 3.61Å; R3-E150 PolarHBondContact NE-OE2 2.9Å; R3-E150 IonicContact NH2-OE1 3.76Å; R3-E150 PolarHBondContact NH2-OE1 3.15Å; R3-E150 IonicContact NH2-OE2 2.94Å; G70-E150 WeakPolarHBondContact CA-OE2 3.47Å; I71-E150 CarbonylContact O-C 3.46Å; I71-E150 WeakPolarHBondContact O-CA 3.3Å; I71-E150 WeakPolarHBondContact O-CB 3.34Å; K72-E150 HydrophobicContact CG-CB 4.25Å; L93-E150 CarbonylContact C-O 3.51Å; L93-E150 VanDerWaalsContact CA-O 3.28Å; L93-E150 WeakPolarHBondContact CA-O 3.16Å; L93-E150 WeakPolarHBondContact CB-O 3.41Å; L94-E150 HydrophobicContact CB-CG 4.14Å; L94-E150 PolarHBondContact N-O 3.37Å; Y148-E150 VanDerWaalsContact CE2-C 3.4Å
151	T	98.7	Very high	98.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	132.6	168.2	-61.5	0	0	0	0	110.1	L69 G70 I71 V91 L136 Y148 I154 F167	L69-T151 WeakPolarHBondContact CB-O 3.41Å; L69-T151 HydrophobicContact CD1-CG2 4.07Å; G70-T151 PolarHBondContact N-O 2.8Å; I71-T151 PolarHBondContact N-O 2.8Å; I71-T151 PolarHBondContact O-N 3.19Å; V91-T151 HydrophobicContact CG2-CG2 3.49Å; V91-T151 VanDerWaalsContact CG2-CG2 3.49Å; L136-T151 VanDerWaalsContact CD1-OG1 3.3Å; L136-T151 WeakPolarHBondContact CD1-OG1 3.31Å; Y148-T151 WeakPolarHBondContact CE2-OG1 3.38Å; Y148-T151 PolarHBondContact OH-N 3Å; Y148-T151 PolarHBondContact OH-OG1 2.8Å; T151-I154 HydrophobicContact CG2-CG1 4.28Å; T151-F167 HydrophobicContact CG2-CE1 4.27Å; T151-F167 HydrophobicContact CG2-CZ 3.79Å; T151-F167 WeakPolarHBondContact OG1-CE1 3.18Å
152	S	98.2	Very high	98.2	Very high	13 Å²	13	26.3 Å²	26.3	9%	0.091	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-42.3	-178.8	-52.9	0	0	0	0	112.4	T68 L69 E92	T68-S152 CarbonylContact C-O 3.56Å; T68-S152 WeakPolarHBondContact CA-O 3.48Å; L69-S152 PolarHBondContact N-O 3Å; E92-S152 PolarHBondContact O-N 2.91Å
153	R	98.5	Very high	98.1	Very high	28 Å²	28	20.1 Å²	20.1	11%	0.106	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	146	-175	-179.1	174.4	-63.2	-67.8	-13.5	111.8	C61 P62 D64 A65 L67 V91 E92	C61-R153 CarbonylContact O-C 3.57Å; C61-R153 VanDerWaalsContact O-CA 3.29Å; C61-R153 WeakPolarHBondContact O-CA 3.34Å; C61-R153 WeakPolarHBondContact O-CG 3.4Å; P62-R153 PolarHBondContact O-NH1 3.03Å; D64-R153 PolarHBondContact O-NH2 3.28Å; A65-R153 VanDerWaalsContact C-NH2 3.34Å; A65-R153 VanDerWaalsContact CA-NH2 3.25Å; A65-R153 PolarHBondContact O-NH2 2.85Å; L67-R153 PolarHBondContact O-NH2 2.88Å; V91-R153 WeakPolarHBondContact CA-O 3.33Å; E92-R153 HydrophobicContact CB-CB 4.06Å; E92-R153 HydrophobicContact CG-CB 4.32Å; E92-R153 PolarHBondContact N-O 2.96Å; E92-R153 PolarHBondContact O-N 2.96Å
154	I	98.6	Very high	98	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.4	169.5	-61.6	167.6	0	0	0	108.5	V13 W25 R60 C61 L69 L76 E90 V91 T151 V156 V165 F167	V13-I154 HydrophobicContact CG2-CD1 4.2Å; W25-I154 HydrophobicContact CH2-CB 4.14Å; W25-I154 HydrophobicContact CH2-CG2 3.93Å; W25-I154 HydrophobicContact CZ3-CB 4.36Å; W25-I154 HydrophobicContact CZ3-CG2 4.13Å; R60-I154 CarbonylContact C-O 3.56Å; R60-I154 WeakPolarHBondContact CA-O 3.44Å; C61-I154 PolarHBondContact N-O 2.71Å; C61-I154 PolarHBondContact O-N 3.34Å; L69-I154 HydrophobicContact CD1-CD1 3.91Å; L69-I154 HydrophobicContact CD1-CG1 3.88Å; L76-I154 HydrophobicContact CD1-CD1 3.8Å; L76-I154 HydrophobicContact CD2-CD1 4.38Å; L76-I154 HydrophobicContact CD2-CG1 4.5Å; E90-I154 CarbonylContact O-C 3.57Å; E90-I154 WeakPolarHBondContact O-CA 3.49Å; V91-I154 HydrophobicContact CG2-CG1 4.47Å; T151-I154 HydrophobicContact CG2-CG1 4.28Å; I154-V156 HydrophobicContact CG2-CG2 4.18Å; I154-V165 HydrophobicContact CD1-CG1 4.17Å; I154-F167 HydrophobicContact CD1-CE2 3.68Å; I154-F167 HydrophobicContact CD1-CZ 3.78Å
155	T	98.4	Very high	98	Very high	8 Å²	8	17.4 Å²	17.4	5%	0.049	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.7	169.1	-59.6	0	0	0	0	109.2	C58 I59 R60 F89 E90	C58-T155 HydrophobicContact CB-CG2 4.3Å; I59-T155 CarbonylContact O-C 3.59Å; I59-T155 WeakPolarHBondContact O-CA 3.35Å; R60-T155 HydrophobicContact CG-CG2 3.91Å; F89-T155 CarbonylContact C-O 3.56Å; F89-T155 VanDerWaalsContact CA-O 3.23Å; F89-T155 WeakPolarHBondContact CA-O 3.39Å; F89-T155 WeakPolarHBondContact CB-O 3.29Å; E90-T155 PolarHBondContact N-O 3.29Å; E90-T155 PolarHBondContact O-N 3.37Å
156	V	98.5	Very high	97.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.4	172.5	-172.5	0	0	0	0	108	W25 M49 C58 I59 L78 F87 F89 I154 L162	W25-V156 HydrophobicContact CZ3-CG2 4.42Å; M49-V156 HydrophobicContact CE-CB 4.04Å; M49-V156 HydrophobicContact CE-CG1 3.53Å; C58-V156 CarbonylContact C-O 3.54Å; C58-V156 WeakPolarHBondContact CA-O 3.37Å; C58-V156 WeakPolarHBondContact CB-O 3.39Å; I59-V156 HydrophobicContact CD1-CB 4.43Å; I59-V156 HydrophobicContact CG1-CB 3.93Å; I59-V156 HydrophobicContact CG1-CG2 4.48Å; I59-V156 PolarHBondContact N-O 3.22Å; I59-V156 PolarHBondContact O-N 2.94Å; L78-V156 HydrophobicContact CD2-CG2 4.19Å; F87-V156 HydrophobicContact CE2-CG1 3.69Å; F87-V156 HydrophobicContact CZ-CG1 4.07Å; F89-V156 HydrophobicContact CB-CG2 4.42Å; I154-V156 HydrophobicContact CG2-CG2 4.18Å; V156-L162 HydrophobicContact CG1-CD2 4.43Å; V156-L162 HydrophobicContact CG2-CD2 4.4Å
157	H	98.3	Very high	97.9	Very high	6 Å²	6	15.1 Å²	15.1	3%	0.028	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	175.9	-175	-67.8	-83.8	0	0	0	112.5	I54 D55 A57 A88 E90	I54-H157 HydrophobicContact CD1-CB 4.34Å; I54-H157 HydrophobicContact CG1-CB 3.58Å; D55-H157 IonicContact OD1-CE1 3.25Å; D55-H157 IonicContact OD1-ND1 3.61Å; A57-H157 CarbonylContact O-C 3.59Å; A88-H157 VanDerWaalsContact O-CB 3.3Å; A88-H157 WeakPolarHBondContact O-CB 3.4Å; A88-H157 PolarHBondContact O-N 3.22Å; E90-H157 IonicContact OE1-CD2 3.61Å; E90-H157 IonicContact OE1-CE1 2.71Å; E90-H157 IonicContact OE1-NE2 3.96Å; E90-H157 PolarHBondContact OE1-NE2 3.35Å
158	A	96.9	Very high	97.9	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	S	Bend	trans	-60.7	169.4	-173.7	0	0	0	0	0	114.2	I54 A57	I54-A158 WeakPolarHBondContact O-CB 3.36Å; I54-A158 PolarHBondContact O-N 2.94Å; A57-A158 HydrophobicContact CB-CB 3.99Å; A57-A158 WeakPolarHBondContact O-CA 3.26Å; A57-A158 VanDerWaalsContact O-CB 3.32Å; A57-A158 WeakPolarHBondContact O-CB 3.47Å; A57-A158 PolarHBondContact O-N 2.61Å
159	N	97.5	Very high	97.8	Very high	7 Å²	7	12.3 Å²	12.3	4%	0.037	6%	0.062	C	C	.	.	S	Bend	trans	69.4	44.2	171.2	-44.9	-49.6	0	0	0	114.1	M49 G51 R85 Y86	M49-N159 WeakPolarHBondContact O-CA 3.34Å; M49-N159 PolarHBondContact O-N 3.23Å; G51-N159 PolarHBondContact N-OD1 3.47Å; G51-N159 VanDerWaalsContact N-OD1 3.12Å; G51-N159 PolarHBondContact O-OD1 3.38Å; R85-N159 HydrophobicContact CB-CB 3.65Å; R85-N159 PolarHBondContact NH1-OD1 3.39Å; R85-N159 PolarHBondContact NH2-OD1 3.47Å; Y86-N159 WeakPolarHBondContact O-CB 3.4Å; Y86-N159 PolarHBondContact O-ND2 2.98Å
160	C	97.7	Very high	97.6	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.007	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	164.7	171	73.2	0	0	0	0	111.5	M49 V80 F87	M49-C160 WeakPolarHBondContact CE-SG 3.37Å; M49-C160 PolarHBondContact N-O 2.85Å; M49-C160 PolarHBondContact O-N 2.83Å; V80-C160 HydrophobicContact CG2-CB 3.51Å; F87-C160 HydrophobicContact CD2-CB 3.57Å; F87-C160 HydrophobicContact CE2-CB 3.72Å; F87-C160 WeakPolarHBondContact CE2-SG 3.47Å; F87-C160 HydrophobicContact CG-CB 4.28Å
161	R	98	Very high	97.4	Very high	35 Å²	35	18.9 Å²	18.9	13%	0.132	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.8	158.3	-63.6	177.6	175.9	177.1	-4.4	108.3	D39 V46 V47 E48 V80 K81 M83 W129	D39-R161 WeakPolarHBondContact OD2-CD 3.42Å; D39-R161 IonicContact OD2-CZ 3.28Å; D39-R161 IonicContact OD2-NE 3.81Å; D39-R161 IonicContact OD2-NH1 3.91Å; D39-R161 PolarHBondContact OD2-NH1 2.88Å; V46-R161 HydrophobicContact CB-CB 4.47Å; V46-R161 HydrophobicContact CG2-CB 3.91Å; V46-R161 HydrophobicContact CG2-CG 4.17Å; V47-R161 CarbonylContact O-C 3.58Å; V47-R161 WeakPolarHBondContact O-CA 3.32Å; E48-R161 HydrophobicContact CB-CG 4.11Å; E48-R161 HydrophobicContact CG-CG 4.08Å; E48-R161 IonicContact OE2-CZ 3.35Å; E48-R161 VanDerWaalsContact OE2-CZ 3.25Å; E48-R161 IonicContact OE2-NE 2.85Å; E48-R161 PolarHBondContact OE2-NE 3.08Å; E48-R161 IonicContact OE2-NH2 3.35Å; E48-R161 PolarHBondContact OE2-NH2 3.07Å; V80-R161 CarbonylContact C-O 3.58Å; V80-R161 WeakPolarHBondContact CA-O 3.39Å; K81-R161 HydrophobicContact CB-CB 3.85Å; K81-R161 PolarHBondContact N-O 2.98Å; M83-R161 HydrophobicContact SD-CG 3.82Å; W129-R161 HydrophobicContact CH2-CB 4.05Å; W129-R161 HydrophobicContact CZ2-CB 4.39Å
162	L	97.9	Very high	97.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126	-175.6	-170.1	68.8	0	0	0	109.9	F14 V47 M49 I59 V80 V156 V165	F14-L162 HydrophobicContact CD1-CD2 3.68Å; F14-L162 HydrophobicContact CD1-CG 3.84Å; F14-L162 HydrophobicContact CE1-CB 4.07Å; F14-L162 HydrophobicContact CE1-CD2 3.64Å; F14-L162 HydrophobicContact CE1-CG 3.54Å; F14-L162 HydrophobicContact CG-CD2 4.26Å; F14-L162 HydrophobicContact CZ-CD2 4.15Å; F14-L162 HydrophobicContact CZ-CG 4.31Å; V47-L162 PolarHBondContact N-O 3.28Å; V47-L162 PolarHBondContact O-N 2.77Å; M49-L162 HydrophobicContact CE-CB 4.36Å; M49-L162 HydrophobicContact CE-CD2 4.36Å; I59-L162 HydrophobicContact CD1-CD2 3.73Å; V80-L162 HydrophobicContact CB-CD1 4.37Å; V156-L162 HydrophobicContact CG1-CD2 4.43Å; V156-L162 HydrophobicContact CG2-CD2 4.4Å; L162-V165 HydrophobicContact CD1-CG2 3.87Å; L162-V165 HydrophobicContact CD2-CG2 3.85Å; L162-V165 HydrophobicContact CG-CG2 4.18Å
163	R	96.5	Very high	96.8	Very high	26 Å²	26	22.4 Å²	22.4	10%	0.098	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-50	179.3	175.5	69.3	-168.5	-179.4	-16.9	111.8	F14 Y15 S16 L17 S44 P45 V46 V79 W129	F14-R163 WeakPolarHBondContact CE1-O 3.16Å; Y15-R163 PolarHBondContact OH-NH2 3.32Å; S16-R163 WeakPolarHBondContact CB-O 3.34Å; S16-R163 PolarHBondContact N-O 2.71Å; S16-R163 VanDerWaalsContact OG-CD 3.3Å; S16-R163 WeakPolarHBondContact OG-CD 3.48Å; S16-R163 PolarHBondContact OG-NH1 2.74Å; S16-R163 PolarHBondContact OG-O 2.78Å; L17-R163 VanDerWaalsContact CD1-NH2 3.29Å; L17-R163 VanDerWaalsContact CD2-NH1 3.34Å; S44-R163 PolarHBondContact OG-NH1 3.31Å; S44-R163 PolarHBondContact OG-NH2 2.86Å; P45-R163 PolarHBondContact O-NH1 2.83Å; V46-R163 HydrophobicContact CG1-CB 4.5Å; V79-R163 HydrophobicContact CB-CB 4.09Å; V79-R163 HydrophobicContact CG1-CB 3.86Å; V79-R163 HydrophobicContact CG1-CG 4.17Å; V79-R163 PolarHBondContact O-N 2.84Å; W129-R163 HydrophobicContact CE3-CB 4.43Å; W129-R163 HydrophobicContact CH2-CB 3.83Å; W129-R163 HydrophobicContact CZ3-CB 3.54Å
164	S	96.3	Very high	96.2	Very high	4 Å²	4	25.7 Å²	25.7	3%	0.028	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	152	-178.6	62.9	0	0	0	0	111.8	F14 V79	F14-S164 VanDerWaalsContact O-CA 3.29Å; F14-S164 WeakPolarHBondContact O-CA 3.43Å; V79-S164 WeakPolarHBondContact CB-OG 3.15Å; V79-S164 WeakPolarHBondContact CG2-OG 3.1Å; V79-S164 PolarHBondContact N-O 3.48Å
165	V	97.6	Very high	95.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	123.7	165.7	-175.1	0	0	0	0	106.7	V13 F14 L76 V77 L78 I154 L162	V13-V165 HydrophobicContact CG2-CB 3.84Å; V13-V165 HydrophobicContact CG2-CG1 3.63Å; V13-V165 WeakPolarHBondContact CG2-O 3.29Å; V13-V165 PolarHBondContact N-O 3Å; F14-V165 HydrophobicContact CB-CB 3.98Å; F14-V165 HydrophobicContact CB-CG2 4.16Å; F14-V165 HydrophobicContact CD1-CG2 4.17Å; F14-V165 PolarHBondContact N-O 2.67Å; F14-V165 PolarHBondContact O-N 2.8Å; L76-V165 HydrophobicContact CD1-CG1 3.63Å; V77-V165 WeakPolarHBondContact O-CA 3.31Å; L78-V165 HydrophobicContact CG-CG1 4.21Å; L78-V165 HydrophobicContact CG-CG2 4.13Å; I154-V165 HydrophobicContact CD1-CG1 4.17Å; L162-V165 HydrophobicContact CD1-CG2 3.87Å; L162-V165 HydrophobicContact CD2-CG2 3.85Å; L162-V165 HydrophobicContact CG-CG2 4.18Å
166	Y	97	Very high	95.3	Very high	3 Å²	3	35.1 Å²	35.1	1%	0.012	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	162	-177.6	64.6	-86.4	0	0	0	111.3	L10 L11 V77 V79 F181	L10-Y166 HydrophobicContact CD2-CD2 4.04Å; L10-Y166 HydrophobicContact CD2-CE2 3.89Å; L11-Y166 CarbonylContact O-C 3.58Å; L11-Y166 VanDerWaalsContact O-CA 3.23Å; L11-Y166 WeakPolarHBondContact O-CA 3.32Å; L11-Y166 WeakPolarHBondContact O-CB 3.38Å; V77-Y166 HydrophobicContact CB-CD1 4.13Å; V77-Y166 HydrophobicContact CB-CD2 4.12Å; V77-Y166 HydrophobicContact CB-CE1 3.69Å; V77-Y166 HydrophobicContact CB-CE2 3.68Å; V77-Y166 HydrophobicContact CB-CG 4.34Å; V77-Y166 VanDerWaalsContact CB-CZ 3.46Å; V77-Y166 HydrophobicContact CG1-CE1 3.68Å; V77-Y166 HydrophobicContact CG1-CE2 4.21Å; V77-Y166 WeakPolarHBondContact CG1-OH 3.43Å; V77-Y166 HydrophobicContact CG2-CD2 4.34Å; V77-Y166 HydrophobicContact CG2-CE2 3.76Å; V77-Y166 PolarHBondContact N-O 2.99Å; V77-Y166 PolarHBondContact O-N 2.89Å; V79-Y166 HydrophobicContact CG2-CE1 4.25Å; Y166-F181 AromaticContact CD1-CD1 3.76Å; Y166-F181 HydrophobicContact CD1-CD1 3.76Å; Y166-F181 HydrophobicContact CD1-CE1 4.16Å; Y166-F181 AromaticContact CD2-CD1 3.93Å; Y166-F181 HydrophobicContact CD2-CD1 3.93Å; Y166-F181 HydrophobicContact CD2-CE1 4.06Å; Y166-F181 AromaticContact CE1-CD1 3.99Å; Y166-F181 HydrophobicContact CE1-CD1 3.99Å; Y166-F181 HydrophobicContact CE2-CD1 4.16Å; Y166-F181 AromaticContact CG-CD1 3.72Å; Y166-F181 HydrophobicContact CG-CD1 3.72Å; Y166-F181 AromaticContact CG-CE1 3.75Å; Y166-F181 HydrophobicContact CG-CE1 3.75Å
167	F	98.1	Very high	94.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	150.1	171.6	-72.5	-100.9	0	0	0	110.4	L10 L11 V13 I71 M73 Y75 L76 L136 T151 I154	L10-F167 CarbonylContact C-O 3.53Å; L10-F167 WeakPolarHBondContact CA-O 3.13Å; L11-F167 HydrophobicContact CB-CB 4.46Å; L11-F167 PolarHBondContact N-O 3.15Å; L11-F167 PolarHBondContact O-N 3.01Å; V13-F167 HydrophobicContact CG1-CD2 4.09Å; V13-F167 HydrophobicContact CG1-CE2 4.05Å; V13-F167 HydrophobicContact CG2-CE2 4.33Å; I71-F167 HydrophobicContact CB-CD1 4.48Å; I71-F167 HydrophobicContact CB-CE1 4.34Å; I71-F167 HydrophobicContact CB-CE2 4.4Å; I71-F167 HydrophobicContact CB-CZ 4.29Å; I71-F167 HydrophobicContact CD1-CD2 3.6Å; I71-F167 HydrophobicContact CD1-CE2 3.41Å; I71-F167 VanDerWaalsContact CD1-CE2 3.41Å; I71-F167 HydrophobicContact CD1-CG 4.38Å; I71-F167 HydrophobicContact CD1-CZ 4.05Å; I71-F167 HydrophobicContact CG1-CE2 4.49Å; I71-F167 HydrophobicContact CG2-CB 4.03Å; I71-F167 HydrophobicContact CG2-CD1 3.59Å; I71-F167 HydrophobicContact CG2-CD2 3.93Å; I71-F167 HydrophobicContact CG2-CE1 3.91Å; I71-F167 HydrophobicContact CG2-CE2 4.24Å; I71-F167 HydrophobicContact CG2-CG 3.58Å; I71-F167 HydrophobicContact CG2-CZ 4.22Å; M73-F167 HydrophobicContact CB-CB 4.03Å; M73-F167 HydrophobicContact CB-CD1 4.48Å; M73-F167 HydrophobicContact CE-CB 3.45Å; M73-F167 VanDerWaalsContact CE-CB 3.45Å; Y75-F167 CarbonylContact O-C 3.57Å; Y75-F167 WeakPolarHBondContact O-CA 3.4Å; L76-F167 HydrophobicContact CB-CD1 4.42Å; L76-F167 HydrophobicContact CB-CE1 4.21Å; L76-F167 HydrophobicContact CD1-CD2 4.4Å; L76-F167 HydrophobicContact CD1-CE1 4.36Å; L76-F167 HydrophobicContact CD1-CE2 4.05Å; L76-F167 HydrophobicContact CD1-CZ 4.04Å; L136-F167 HydrophobicContact CD1-CD1 4.38Å; L136-F167 HydrophobicContact CD1-CE1 3.77Å; T151-F167 HydrophobicContact CG2-CE1 4.27Å; T151-F167 HydrophobicContact CG2-CZ 3.79Å; T151-F167 WeakPolarHBondContact OG1-CE1 3.18Å; I154-F167 HydrophobicContact CD1-CE2 3.68Å; I154-F167 HydrophobicContact CD1-CZ 3.78Å
168	A	97.6	Very high	94.5	Very high	3 Å²	3	37.5 Å²	37.5	3%	0.025	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	147.2	174.3	0	0	0	0	0	111	G9 L10 Y75 R170 Y172	G9-A168 VanDerWaalsContact O-CA 3.3Å; G9-A168 WeakPolarHBondContact O-CA 3.33Å; L10-A168 HydrophobicContact CD2-CB 3.67Å; Y75-A168 WeakPolarHBondContact CB-O 3.3Å; Y75-A168 PolarHBondContact N-O 3.34Å; Y75-A168 VanDerWaalsContact N-O 3.14Å; Y75-A168 PolarHBondContact O-N 2.91Å; A168-R170 WeakPolarHBondContact CB-O 3.44Å; A168-Y172 HydrophobicContact CB-CD2 4.12Å; A168-Y172 HydrophobicContact CB-CE2 4.16Å
169	D	96.3	Very high	93.8	Very high	55 Å²	55	45.4 Å²	45.4	29%	0.294	22%	0.224	S	C	.	.	S	Bend	trans	-73.9	-30.5	173.3	60	3.1	0	0	0	112.6	G9 M73 P74 Y172	G9-D169 WeakPolarHBondContact CA-OD2 2.94Å; G9-D169 PolarHBondContact N-OD2 2.87Å; G9-D169 PolarHBondContact O-N 3.13Å; G9-D169 VanDerWaalsContact O-N 3.09Å; M73-D169 HydrophobicContact SD-CB 4.32Å; P74-D169 WeakPolarHBondContact CG-O 3.39Å; D169-Y172 VanDerWaalsContact OD1-CE2 3.3Å; D169-Y172 WeakPolarHBondContact OD1-CE2 3.2Å; D169-Y172 PolarHBondContact OD1-OH 2.96Å; D169-Y172 VanDerWaalsContact OD1-OH 3.04Å
170	R	95.8	Very high	93.1	Very high	110 Å²	110	49.8 Å²	49.8	42%	0.415	25%	0.245	S	C	.	.	S	Bend	trans	-137.7	174.6	174.2	68.2	180	176.1	109.3	-8	112.3	A168 Y172 E176	A168-R170 WeakPolarHBondContact CB-O 3.44Å; R170-Y172 HydrophobicContact CG-CD2 3.94Å; R170-Y172 HydrophobicContact CG-CE1 4.4Å; R170-Y172 HydrophobicContact CG-CE2 3.61Å; R170-Y172 HydrophobicContact CG-CG 4.47Å; R170-Y172 WeakPolarHBondContact O-CD2 3.48Å; R170-E176 IonicContact CZ-OE1 2.67Å; R170-E176 VanDerWaalsContact CZ-OE1 3.26Å; R170-E176 IonicContact CZ-OE2 2.71Å; R170-E176 IonicContact NH1-OE1 3.59Å; R170-E176 PolarHBondContact NH1-OE1 2.95Å; R170-E176 IonicContact NH1-OE2 2.78Å; R170-E176 PolarHBondContact NH1-OE2 3.37Å; R170-E176 VanDerWaalsContact NH1-OE2 3.15Å; R170-E176 IonicContact NH2-OE1 2.89Å; R170-E176 PolarHBondContact NH2-OE1 3.14Å; R170-E176 IonicContact NH2-OE2 3.75Å
171	I	93.5	Very high	92.4	Very high	98 Å²	98	51 Å²	51	50%	0.503	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-78.5	121.2	165.4	-60.7	171.7	0	0	0	107.3	Y75	Y75-I171 HydrophobicContact CD1-CD1 4.38Å; Y75-I171 HydrophobicContact CD1-CG1 3.83Å; Y75-I171 HydrophobicContact CE1-CD1 3.77Å; Y75-I171 HydrophobicContact CE1-CG1 3.55Å; Y75-I171 HydrophobicContact CE2-CG1 4.46Å; Y75-I171 HydrophobicContact CG-CG1 4.39Å
172	Y	93.4	Very high	91.7	Very high	42 Å²	42	54.5 Å²	54.5	17%	0.165	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-97.3	140.9	174.8	-73.8	-93.6	0	0	0	109.7	G9 L10 A168 D169 R170 E176 L177	G9-Y172 WeakPolarHBondContact CA-OH 3.49Å; L10-Y172 HydrophobicContact CD2-CD2 3.76Å; L10-Y172 HydrophobicContact CD2-CE2 3.75Å; L10-Y172 HydrophobicContact CG-CE2 4.31Å; A168-Y172 HydrophobicContact CB-CD2 4.12Å; A168-Y172 HydrophobicContact CB-CE2 4.16Å; D169-Y172 VanDerWaalsContact OD1-CE2 3.3Å; D169-Y172 WeakPolarHBondContact OD1-CE2 3.2Å; D169-Y172 PolarHBondContact OD1-OH 2.96Å; D169-Y172 VanDerWaalsContact OD1-OH 3.04Å; R170-Y172 HydrophobicContact CG-CD2 3.94Å; R170-Y172 HydrophobicContact CG-CE1 4.4Å; R170-Y172 HydrophobicContact CG-CE2 3.61Å; R170-Y172 HydrophobicContact CG-CG 4.47Å; R170-Y172 WeakPolarHBondContact O-CD2 3.48Å; Y172-E176 HydrophobicContact CD1-CB 3.88Å; Y172-L177 HydrophobicContact CG-CD2 4.19Å
173	A	90.1	Very high	90.9	Very high	45 Å²	45	56.8 Å²	56.8	37%	0.372	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-72.8	156.8	165.2	0	0	0	0	0	110.7	D175 E176 L177	A173-D175 WeakPolarHBondContact CB-OD1 3.27Å; A173-D175 PolarHBondContact O-N 3.37Å; A173-E176 HydrophobicContact CB-CG 4.19Å; A173-E176 PolarHBondContact N-OE2 3.13Å; A173-E176 WeakPolarHBondContact O-CB 3.39Å; A173-E176 PolarHBondContact O-N 3.49Å; A173-L177 PolarHBondContact O-N 3.47Å
174	E	85.4	Confident	89.8	Confident	97 Å²	97	60 Å²	60	45%	0.453	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-36.4	-177.6	-77.2	-66.4	152.8	0	0	113	E176 L177 R182	E174-E176 VanDerWaalsContact C-N 3.3Å; E174-E176 PolarHBondContact O-N 3.31Å; E174-L177 PolarHBondContact O-N 3.26Å; E174-R182 WeakPolarHBondContact O-CD 3.13Å; E174-R182 PolarHBondContact O-NE 3Å
175	D	88.9	Confident	88.7	Confident	122 Å²	122	63 Å²	63	65%	0.652	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-17.9	177.9	63.4	-42	0	0	0	113.7	A173 R182	A173-D175 WeakPolarHBondContact CB-OD1 3.27Å; A173-D175 PolarHBondContact O-N 3.37Å; D175-R182 VanDerWaalsContact C-NH2 3.32Å; D175-R182 PolarHBondContact O-NH2 3.35Å
176	E	90.9	Very high	87.3	Confident	84 Å²	84	65 Å²	65	39%	0.393	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-22.1	172.6	-58.2	-178.6	102.3	0	0	112.6	R170 Y172 A173 E174	R170-E176 IonicContact CZ-OE1 2.67Å; R170-E176 VanDerWaalsContact CZ-OE1 3.26Å; R170-E176 IonicContact CZ-OE2 2.71Å; R170-E176 IonicContact NH1-OE1 3.59Å; R170-E176 PolarHBondContact NH1-OE1 2.95Å; R170-E176 IonicContact NH1-OE2 2.78Å; R170-E176 PolarHBondContact NH1-OE2 3.37Å; R170-E176 VanDerWaalsContact NH1-OE2 3.15Å; R170-E176 IonicContact NH2-OE1 2.89Å; R170-E176 PolarHBondContact NH2-OE1 3.14Å; R170-E176 IonicContact NH2-OE2 3.75Å; Y172-E176 HydrophobicContact CD1-CB 3.88Å; A173-E176 HydrophobicContact CB-CG 4.19Å; A173-E176 PolarHBondContact N-OE2 3.13Å; A173-E176 WeakPolarHBondContact O-CB 3.39Å; A173-E176 PolarHBondContact O-N 3.49Å; E174-E176 VanDerWaalsContact C-N 3.3Å; E174-E176 PolarHBondContact O-N 3.31Å
177	L	89.8	Confident	85.4	Confident	4 Å²	4	71.3 Å²	71.3	2%	0.021	37%	0.368	C	S	.	.	S	Bend	trans	-69.8	139.6	-179.5	-70.9	176.5	0	0	0	110.7	L10 Y172 A173 E174 F181 R182	L10-L177 HydrophobicContact CD1-CD2 3.91Å; L10-L177 HydrophobicContact CD2-CD2 4.31Å; Y172-L177 HydrophobicContact CG-CD2 4.19Å; A173-L177 PolarHBondContact O-N 3.47Å; E174-L177 PolarHBondContact O-N 3.26Å; L177-F181 HydrophobicContact CB-CB 4.27Å; L177-F181 HydrophobicContact CD2-CB 4.19Å; L177-R182 HydrophobicContact CB-CG 3.78Å; L177-R182 PolarHBondContact O-NE 2.78Å; L177-R182 PolarHBondContact O-NH2 3.25Å
178	P	89.2	Confident	83.2	Confident	51 Å²	51	74.4 Å²	74.4	33%	0.331	39%	0.39	S	S	.	.			trans	-61	156.6	165.5	-21.3	32.9	0	0	0	111.5	L10 E180 F181 R182	L10-P178 VanDerWaalsContact CD1-CD 3.44Å; L10-P178 HydrophobicContact CD1-CG 4.08Å; P178-E180 VanDerWaalsContact CB-CD 3.42Å; P178-E180 HydrophobicContact CB-CG 4.35Å; P178-E180 WeakPolarHBondContact CB-OE1 3.29Å; P178-E180 WeakPolarHBondContact CB-OE2 3.16Å; P178-E180 PolarHBondContact O-N 3.23Å; P178-E180 VanDerWaalsContact O-N 3.14Å; P178-F181 HydrophobicContact CB-CD2 4.04Å; P178-F181 HydrophobicContact CG-CD2 4Å; P178-F181 HydrophobicContact CG-CE2 4.44Å; P178-F181 PolarHBondContact O-N 2.74Å; P178-R182 PolarHBondContact O-N 2.68Å
179	Q	82.7	Confident	80.8	Confident	166 Å²	166	76.2 Å²	76.2	78%	0.776	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-36.1	-174.1	-174.1	177.3	31.7	0	0	112.8	F181 R182	Q179-F181 PolarHBondContact O-N 2.75Å; Q179-R182 PolarHBondContact O-N 2.87Å
180	E	83.4	Confident	78.2	Confident	100 Å²	100	82.2 Å²	82.2	47%	0.467	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.9	179.1	64.2	-89.7	-150.5	0	0	114.3	Y15 P178	Y15-E180 HydrophobicContact CE1-CB 4.42Å; Y15-E180 WeakPolarHBondContact CE2-O 3.47Å; P178-E180 VanDerWaalsContact CB-CD 3.42Å; P178-E180 HydrophobicContact CB-CG 4.35Å; P178-E180 WeakPolarHBondContact CB-OE1 3.29Å; P178-E180 WeakPolarHBondContact CB-OE2 3.16Å; P178-E180 PolarHBondContact O-N 3.23Å; P178-E180 VanDerWaalsContact O-N 3.14Å
181	F	82.9	Confident	75.3	Confident	27 Å²	27	81 Å²	81	12%	0.118	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-15.1	174.7	-66	-84.8	0	0	0	113	L10 Y166 L177 P178 Q179	L10-F181 HydrophobicContact CB-CE1 4.25Å; L10-F181 HydrophobicContact CB-CE2 4.14Å; L10-F181 HydrophobicContact CB-CZ 3.9Å; L10-F181 HydrophobicContact CD1-CD1 4.38Å; L10-F181 HydrophobicContact CD1-CD2 3.67Å; L10-F181 HydrophobicContact CD1-CE2 3.9Å; L10-F181 HydrophobicContact CD1-CG 3.94Å; L10-F181 HydrophobicContact CD1-CZ 4.35Å; Y166-F181 AromaticContact CD1-CD1 3.76Å; Y166-F181 HydrophobicContact CD1-CD1 3.76Å; Y166-F181 HydrophobicContact CD1-CE1 4.16Å; Y166-F181 AromaticContact CD2-CD1 3.93Å; Y166-F181 HydrophobicContact CD2-CD1 3.93Å; Y166-F181 HydrophobicContact CD2-CE1 4.06Å; Y166-F181 AromaticContact CE1-CD1 3.99Å; Y166-F181 HydrophobicContact CE1-CD1 3.99Å; Y166-F181 HydrophobicContact CE2-CD1 4.16Å; Y166-F181 AromaticContact CG-CD1 3.72Å; Y166-F181 HydrophobicContact CG-CD1 3.72Å; Y166-F181 AromaticContact CG-CE1 3.75Å; Y166-F181 HydrophobicContact CG-CE1 3.75Å; L177-F181 HydrophobicContact CB-CB 4.27Å; L177-F181 HydrophobicContact CD2-CB 4.19Å; P178-F181 HydrophobicContact CB-CD2 4.04Å; P178-F181 HydrophobicContact CG-CD2 4Å; P178-F181 HydrophobicContact CG-CE2 4.44Å; P178-F181 PolarHBondContact O-N 2.74Å; Q179-F181 PolarHBondContact O-N 2.75Å
182	R	83.3	Confident	72.5	Confident	108 Å²	108	88.4 Å²	88.4	41%	0.408	47%	0.474	S	S	.	.	S	Bend	trans	-76.8	145.1	176.8	-68.6	-177.7	-161.4	-177.2	0.3	111.5	E174 D175 L177 P178 Q179 S184	E174-R182 WeakPolarHBondContact O-CD 3.13Å; E174-R182 PolarHBondContact O-NE 3Å; D175-R182 VanDerWaalsContact C-NH2 3.32Å; D175-R182 PolarHBondContact O-NH2 3.35Å; L177-R182 HydrophobicContact CB-CG 3.78Å; L177-R182 PolarHBondContact O-NE 2.78Å; L177-R182 PolarHBondContact O-NH2 3.25Å; P178-R182 PolarHBondContact O-N 2.68Å; Q179-R182 PolarHBondContact O-N 2.87Å; R182-S184 PolarHBondContact O-N 3.34Å
183	L	79.6	Confident	71.5	Confident	48 Å²	48	90.8 Å²	90.8	25%	0.251	49%	0.489	S	S	.	.			trans	-91.1	97.6	168	-171.7	76.7	0	0	0	109.8	I42 V79 W129 I185	I42-L183 HydrophobicContact CG2-CD1 3.91Å; I42-L183 HydrophobicContact CG2-CG 4.39Å; V79-L183 HydrophobicContact CG1-CD1 3.9Å; W129-L183 HydrophobicContact CB-CD1 4.48Å; W129-L183 HydrophobicContact CB-CD2 3.37Å; W129-L183 HydrophobicContact CD2-CD1 4.16Å; W129-L183 HydrophobicContact CE3-CD1 4.26Å; W129-L183 HydrophobicContact CG-CD1 4.27Å; W129-L183 HydrophobicContact CG-CD2 3.96Å; L183-I185 HydrophobicContact CD2-CD1 3.93Å; L183-I185 HydrophobicContact CD2-CG1 4Å; L183-I185 HydrophobicContact CG-CG1 4.1Å; L183-I185 PolarHBondContact O-N 2.76Å
184	S	74.5	Confident	70.5	Confident	92 Å²	92	93.2 Å²	93.2	64%	0.643	50%	0.495	S	S	*	.			trans	-84	104.3	171.1	57.8	0	0	0	0	110.5	R182 P186	R182-S184 PolarHBondContact O-N 3.34Å; S184-P186 WeakPolarHBondContact O-CD 3.47Å
185	I	73.1	Confident	69.7	Low	67 Å²	67	92.9 Å²	92.9	34%	0.344	50%	0.498	S	S	.	.			trans	-91.4	113.5	167.6	-56.2	176.6	0	0	0	107.4	I42 L183 S189	I42-I185 HydrophobicContact CG2-CG1 3.99Å; L183-I185 HydrophobicContact CD2-CD1 3.93Å; L183-I185 HydrophobicContact CD2-CG1 4Å; L183-I185 HydrophobicContact CG-CG1 4.1Å; L183-I185 PolarHBondContact O-N 2.76Å; I185-S189 WeakPolarHBondContact CG2-OG 3.45Å
186	P	68.1	Low	68.5	Low	43 Å²	43	91.2 Å²	91.2	28%	0.279	49%	0.488	S	S	.	.			trans	-53.1	144.3	175.1	-25.9	34.8	0	0	0	112	D41 S184 S188 S189	D41-P186 WeakPolarHBondContact O-CD 3.23Å; S184-P186 WeakPolarHBondContact O-CD 3.47Å; P186-S188 PolarHBondContact O-N 2.88Å; P186-S189 PolarHBondContact O-N 3.41Å; P186-S189 VanDerWaalsContact O-N 3.08Å; P186-S189 PolarHBondContact O-OG 3Å
187	V	56	Low	67.1	Low	135 Å²	135	91.7 Å²	91.7	82%	0.818	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-57.8	-24.2	-176.8	-178.3	0	0	0	0	112.6	S189 K190	V187-S189 VanDerWaalsContact C-N 3.3Å; V187-S189 PolarHBondContact O-N 3.36Å; V187-K190 PolarHBondContact O-N 3.32Å
188	S	52.3	Low	65.6	Low	65 Å²	65	97.5 Å²	97.5	46%	0.455	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-73.3	-10.8	179.3	55.9	0	0	0	0	115.5	R43 P186	R43-S188 PolarHBondContact NH2-OG 3.39Å; P186-S188 PolarHBondContact O-N 2.88Å
189	S	48.6	Very low	63.9	Low	42 Å²	42	100.9 Å²	100.9	29%	0.294	54%	0.54	S	S	.	.	G	3₁₀ helix	trans	-97	4.6	175.4	35.7	0	0	0	0	113.6	D41 I185 P186 V187 S191	D41-S189 WeakPolarHBondContact O-CB 3.34Å; D41-S189 PolarHBondContact O-OG 3.08Å; I185-S189 WeakPolarHBondContact CG2-OG 3.45Å; P186-S189 PolarHBondContact O-N 3.41Å; P186-S189 VanDerWaalsContact O-N 3.08Å; P186-S189 PolarHBondContact O-OG 3Å; V187-S189 VanDerWaalsContact C-N 3.3Å; V187-S189 PolarHBondContact O-N 3.36Å; S189-S191 VanDerWaalsContact C-N 3.33Å
190	K	40.7	Very low	62.5	Low	180 Å²	180	95.8 Å²	95.8	78%	0.783	52%	0.522	S	S	*	.	S	Bend	trans	-90.3	20.5	173.4	-77	-171.7	175.1	-179.1	0	114.4	V187	V187-K190 PolarHBondContact O-N 3.32Å
191	S	35.2	Very low	60.7	Low	85 Å²	85	95.5 Å²	95.5	59%	0.594	53%	0.526	S	S	*	.			trans	-125.4	119	179.5	56.9	0	0	0	0	112.5	S189	S189-S191 VanDerWaalsContact C-N 3.33Å
192	L	34.6	Very low	58.7	Low	254 Å²	254	101.7 Å²	101.7	100%	1.33	56%	0.563	S	S	*	*			trans	86.4	0	175.3	-61.7	165.2	0	0	0	117.1

Retrieved 192 of 192 residues in 40.4 ms (Link to these results)

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